Peak 2 from nnoeabs.peaks (4.38, 8.24, 125.71 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 11 + H ALA 12 OK 100 100 - 100 - 3.6=100 HA ASP 47 - H ALA 12 lone 6 97 - 6 - 963/4.1=3, 968/4.1=3 HA MET 11 - H VAL 90 lone 3 54 - 5 - 3699=1, 968/3.9=1 HA ASP 47 - H VAL 90 lone 1 49 - 2 - 5662/4.4=2 Peak 8 from nnoeabs.peaks (4.26, 8.27, 122.13 ppm; 3.06 A): 1 out of 14 assignments used, quality = 0.63: * HA ALA 12 + H LYS 13 OK 63 100 - 63 - 3.6=63 HA LYS 75 - H LYS 13 poor 10 93 - 11 - 3.0/468=1, 3069/3.9=1 HA LYS 39 - H LYS 13 lone 7 99 - 7 - 3.0/468=1, 1835/3.9=1 HA LYS 85 - H LYS 13 lone 5 60 - 9 - 3.0/468=2, 3.0/5995=1...(4) HA LYS 83 - H LYS 13 lone 3 92 - 4 - HA LEU 64 - H LYS 13 lone 3 100 - 3 - HA THR 15 - H LYS 13 lone 1 96 - 1 - HA GLU 19 - H LYS 13 lone 1 100 - 1 - HA ARG 17 - H LYS 13 lone 1 83 - 1 - HA ALA 20 - H LYS 13 lone 1 100 - 1 - HA SER 60 - H LYS 13 lone 1 83 - 1 - HA ALA 77 - H LYS 13 lone 1 71 - 1 - HA ASP 38 - H LYS 13 lone 0 81 - 1 - HA THR 88 - H LYS 13 lone 0 78 - 1 - Peak 9 from nnoeabs.peaks (1.33, 8.27, 122.13 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 12 + H LYS 13 OK 100 100 - 100 - 3.6=100 HB2 LEU 52 - H LYS 13 OK 13 100 - 13 - 2259/4.8=3, 3.0/5922=3...(4) HG3 LYS 32 - H LYS 13 lone 5 100 - 5 - QB ALA 28 - H LYS 13 lone 4 99 - 4 - 985/3.6=1, 465/4.6=1 HB2 LEU 51 - H LYS 13 lone 3 97 - 3 - QB ALA 16 - H LYS 13 lone 2 65 - 4 - HG2 ARG 54 - H LYS 13 lone 1 68 - 2 - QG2 THR 58 - H LYS 13 lone 1 83 - 1 - Peak 10 from nnoeabs.peaks (4.45, 8.20, 114.71 ppm; 3.17 A): 2 out of 5 assignments used, quality = 0.76: * HA PRO 14 + H THR 15 OK 72 100 - 72 - 3.6=70, 3.8/5906=2, 3.8/5906=2 HA SER 22 + H THR 15 OK 15 99 - 15 - 5500/4.0=4, 1107/4.0=3...(5) HA TYR 81 - H THR 15 lone 4 100 - 4 - 5500/4.0=1 HA ASP 67 - H THR 15 lone 2 78 - 3 - HA THR 58 - H THR 15 lone 1 78 - 1 - Peak 11 from nnoeabs.peaks (2.27, 8.20, 114.71 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 14 + H THR 15 OK 100 100 - 100 - 4.0=100 HG2 GLU 25 - H THR 15 OK 25 89 - 28 - 1094/3.6=7, 1108/4.0=6...(6) HG3 GLU 25 - H THR 15 OK 16 68 - 23 - 1094/3.6=4, 1108/4.0=4...(6) Peak 12 from nnoeabs.peaks (1.89, 8.20, 114.71 ppm; 4.74 A): 1 out of 11 assignments used, quality = 1.00: * HB3 PRO 14 + H THR 15 OK 100 100 - 100 - 4.0=100 HB2 MET 11 - H THR 15 OK 15 100 - 16 - 1095/3.6=6, 1102/4.0=6 HB ILE 68 - H THR 15 OK 13 97 - 13 - 1095/3.6=3, 3.2/5377=3...(5) HB2 ARG 66 - H THR 15 OK 10 97 - 10 - 1095/3.6=4, 1102/4.0=3 HB3 ARG 26 - H THR 15 lone 8 99 - 8 - 1095/3.6=2, 1102/4.0=2, 3.9/54=1 HB2 ARG 26 - H THR 15 lone 8 99 - 8 - 1095/3.6=2, 1102/4.0=2, 3.9/54=1 HG12 ILE 40 - H THR 15 lone 7 87 - 8 - 1102/4.0=2, 1095/3.6=2 HB3 PRO 34 - H THR 15 lone 5 95 - 5 - 1095/3.6=2, 1102/4.0=1 HB2 GLU 19 - H THR 15 lone 4 76 - 5 - 3.0/477=1 HB2 GLN 91 - H THR 15 lone 2 97 - 2 - HB3 GLU 87 - H THR 15 lone 2 81 - 2 - Peak 18 from nnoeabs.peaks (4.25, 8.36, 126.99 ppm; 3.64 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 15 + H ALA 16 OK 100 100 - 100 - 3.6=100 HA LEU 64 - H ALA 16 lone 9 93 - 10 - 3914/4.6=3, 477/4.6=1 HA ALA 20 - H ALA 16 lone 7 92 - 8 - 2.1/482=2, 3725/4.6=1 HA LYS 83 - H ALA 16 lone 5 100 - 5 - 1137/4.2=1, 1133/4.4=1 HA ALA 77 - H ALA 16 lone 5 95 - 6 - 2.1/482=1 HB THR 37 - H ALA 16 lone 5 76 - 7 - 2.1/20=2, 1137/4.2=1...(4) HA ALA 12 - H ALA 16 lone 5 96 - 5 - HA GLU 19 - H ALA 16 lone 4 97 - 4 - 4.5/482=1 HA LYS 85 - H ALA 16 lone 2 89 - 3 - HA LYS 75 - H ALA 16 lone 2 100 - 2 - HA LYS 39 - H ALA 16 lone 2 100 - 2 - Peak 19 from nnoeabs.peaks (4.17, 8.36, 126.99 ppm; 4.87 A): 1 out of 8 assignments used, quality = 1.00: * HB THR 15 + H ALA 16 OK 100 100 - 100 - 4.4=100 HA LEU 29 - H ALA 16 lone 10 99 - 9 - 478/4.6=2, 1138/4.2=2...(4) HA ARG 84 - H ALA 16 poor 9 89 - 10 - 1130/3.6=2, 1138/4.2=2...(4) HA ALA 53 - H ALA 16 lone 5 100 - 5 - 1138/4.2=1, 1130/3.6=1 HA LYS 73 - H ALA 16 lone 5 98 - 5 - 1130/3.6=1 HA ARG 82 - H ALA 16 lone 4 98 - 4 - 1130/3.6=1 HA ILE 89 - H ALA 16 lone 4 100 - 4 - HA ASN 49 - H ALA 16 lone 3 60 - 4 - Peak 20 from nnoeabs.peaks (1.19, 8.36, 126.99 ppm; 5.24 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 15 + H ALA 16 OK 100 100 - 100 - 4.2=100 QG2 THR 37 - H ALA 16 OK 14 83 - 17 - 1131/3.6=5, 479/4.6=4...(5) HG LEU 52 - H ALA 16 OK 14 100 - 14 - 1131/3.6=3, 1135/4.4=3...(4) QG2 VAL 65 - H ALA 16 lone 8 81 - 9 - 2669/4.6=2, 1131/3.6=1 HG13 ILE 33 - H ALA 16 lone 5 63 - 8 - ~5557=2, 2.1/4211=2 Peak 22 from nnoeabs.peaks (4.31, 8.38, 120.73 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.87: * HA ALA 16 + H ARG 17 OK 87 100 - 87 - 3.6=86, ~5486=4, ~987=1 HA LEU 86 - H ARG 17 lone 8 99 - 8 - HA GLU 87 - H ARG 17 lone 3 99 - 3 - HA PRO 34 - H ARG 17 lone 2 99 - 2 - HA THR 88 - H ARG 17 lone 2 57 - 3 - Peak 23 from nnoeabs.peaks (1.36, 8.38, 120.73 ppm; 4.36 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 16 + H ARG 17 OK 100 100 - 100 - 3.6=100 QB ALA 20 - H ARG 17 OK 14 87 - 16 - 2.1/3725=3, 3726=3...(7) QB ALA 77 - H ARG 17 lone 5 90 - 5 - 1142/3.6=1, 482/4.6=1 QB ALA 28 - H ARG 17 lone 5 81 - 6 - 482/4.6=1 HG3 LYS 73 - H ARG 17 lone 4 63 - 6 - QB ALA 12 - H ARG 17 lone 3 65 - 5 - HG2 LYS 85 - H ARG 17 lone 3 87 - 3 - HB2 LEU 52 - H ARG 17 lone 3 73 - 4 - HG2 LYS 83 - H ARG 17 lone 3 98 - 3 - HG3 ARG 69 - H ARG 17 lone 2 89 - 3 - QB ALA 78 - H ARG 17 lone 2 63 - 3 - Peak 24 from nnoeabs.peaks (3.93, 8.32, 120.92 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HA2 GLY 18 + H GLU 19 OK 98 100 - 98 - 3.6=98, 4800/3.0=1 HA3 GLY 18 + H GLU 19 OK 98 100 - 98 - 3.6=98, 4800/3.0=1 HA3 GLY 21 - H GLU 19 lone 5 76 - 6 - HA2 GLY 21 - H GLU 19 lone 5 73 - 6 - HA LEU 62 - H GLU 19 lone 2 100 - 2 - 4674/4.6=1 HA THR 37 - H GLU 19 lone 2 99 - 2 - HA ALA 28 - H GLU 19 lone 1 57 - 2 - Peak 25 from nnoeabs.peaks (3.93, 8.32, 120.92 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HA3 GLY 18 + H GLU 19 OK 98 100 - 98 - 3.6=98, 4800/3.0=1 HA2 GLY 18 + H GLU 19 OK 98 100 - 98 - 3.6=98, 4800/3.0=1 HA3 GLY 21 - H GLU 19 lone 5 78 - 6 - HA2 GLY 21 - H GLU 19 lone 5 76 - 6 - HA LEU 62 - H GLU 19 lone 2 100 - 2 - 4674/4.6=1 HA THR 37 - H GLU 19 lone 2 99 - 2 - HA ALA 28 - H GLU 19 lone 1 60 - 2 - Peak 27 from nnoeabs.peaks (4.26, 8.45, 124.95 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: HA ALA 20 + H ALA 20 OK 100 100 - 100 - 3.0=100 * HA GLU 19 + H ALA 20 OK 85 100 - 85 - 3.6=80, 3.0/29=8...(9) HA LEU 64 - H ALA 20 OK 14 100 - 14 - 6135=3, 33/4.5=3, 3.9/6134=2 HA ARG 17 - H ALA 20 lone 6 81 - 8 - 3720=1 HA LYS 83 - H ALA 20 lone 5 93 - 5 - 3720=1 HA ALA 77 - H ALA 20 lone 5 73 - 7 - 2.1/1239=2 HA LYS 75 - H ALA 20 lone 4 95 - 4 - HA LYS 39 - H ALA 20 lone 4 99 - 4 - HA THR 88 - H ALA 20 lone 3 76 - 4 - 3.0/5900=1 HA THR 15 - H ALA 20 lone 3 97 - 3 - HA ASP 38 - H ALA 20 lone 2 78 - 3 - HA ALA 12 - H ALA 20 lone 2 100 - 2 - HA LYS 85 - H ALA 20 lone 1 63 - 2 - HA SER 60 - H ALA 20 lone 1 81 - 1 - Peak 28 from nnoeabs.peaks (1.91, 8.45, 124.95 ppm; 4.66 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 19 + H ALA 20 OK 100 100 - 100 - 4.6=100 HG13 ILE 68 - H ALA 20 OK 44 93 - 47 - 2770=9, 1.8/2763=8...(12) HB ILE 68 - H ALA 20 OK 44 95 - 46 - 2749=8, 2.1/2756=8...(12) HB3 GLU 87 - H ALA 20 OK 43 100 - 43 - 1.8/29=7, 1208/3.6=7...(12) HB VAL 41 - H ALA 20 OK 11 83 - 14 - 4333/3.6=2, 4333/3.0=2...(4) HG12 ILE 40 - H ALA 20 OK 10 100 - 10 - 3.2/5616=1, 2.1/5622=1 HB2 GLN 91 - H ALA 20 lone 7 95 - 7 - 1208/3.6=1, 1.8/29=1, 493/4.6=1 HB3 PRO 14 - H ALA 20 lone 3 76 - 3 - HB2 MET 31 - H ALA 20 lone 2 68 - 3 - HB3 ARG 26 - H ALA 20 lone 2 60 - 3 - HB2 MET 11 - H ALA 20 lone 1 71 - 2 - Peak 29 from nnoeabs.peaks (2.04, 8.45, 124.95 ppm; 4.48 A): 1 out of 16 assignments used, quality = 0.96: * HB3 GLU 19 + H ALA 20 OK 96 100 - 96 - 4.6=93, 3.0/498=15...(13) HB2 GLU 87 - H ALA 20 OK 38 99 - 39 - 1209/3.6=7, 1.8/28=6...(12) HD3 ARG 69 - H ALA 20 OK 12 99 - 12 - 6.3/288=3, 3.0/499=2, 3.9/499=2 HD2 ARG 69 - H ALA 20 OK 12 99 - 12 - 6.3/288=3, 3.0/499=2, 3.9/499=2 HB3 GLU 50 - H ALA 20 lone 8 100 - 8 - 1209/3.6=1 HB2 GLU 50 - H ALA 20 lone 8 100 - 8 - 1209/3.6=1 HB2 GLU 25 - H ALA 20 lone 7 92 - 7 - 494/4.6=1 HB3 GLU 25 - H ALA 20 lone 7 90 - 7 - 494/4.6=1 HB3 GLN 91 - H ALA 20 lone 6 100 - 6 - 1209/3.6=1, 494/4.6=1 HB VAL 76 - H ALA 20 lone 5 99 - 5 - HG2 PRO 44 - H ALA 20 lone 2 98 - 2 - HB3 PRO 56 - H ALA 20 lone 2 99 - 2 - HG2 PRO 56 - H ALA 20 lone 2 100 - 2 - HB VAL 90 - H ALA 20 lone 2 83 - 2 - HG2 ARG 66 - H ALA 20 lone 1 63 - 2 - HB VAL 45 - H ALA 20 lone 1 65 - 1 - Peak 30 from nnoeabs.peaks (2.23, 8.45, 124.95 ppm; 5.00 A): 4 out of 6 assignments used, quality = 0.92: HG3 GLU 19 + H ALA 20 OK 56 100 - 56 - 3.0/29=17, 3.9/498=15...(14) * HG2 GLU 19 + H ALA 20 OK 56 100 - 56 - 3.0/29=17, 3.9/498=15...(14) HG3 GLU 87 + H ALA 20 OK 36 92 - 40 - 3.0/29=7, 3.0/28=6...(16) HG2 GLU 87 + H ALA 20 OK 36 90 - 40 - 3.0/29=7, 3.0/28=6...(16) HG3 GLU 50 - H ALA 20 lone 7 73 - 9 - 3.0/29=2, 3.0/29=2, ~4938=1 HG2 GLU 25 - H ALA 20 lone 6 63 - 9 - 3.0/29=1, 5514/2.9=1...(4) Peak 31 from nnoeabs.peaks (2.23, 8.45, 124.95 ppm; 5.00 A): 4 out of 6 assignments used, quality = 0.92: * HG3 GLU 19 + H ALA 20 OK 56 100 - 56 - 3.0/29=17, 3.9/498=15...(14) HG2 GLU 19 + H ALA 20 OK 56 100 - 56 - 3.0/29=17, 3.9/498=15...(14) HG3 GLU 87 + H ALA 20 OK 36 92 - 40 - 3.0/29=7, 3.0/28=6...(16) HG2 GLU 87 + H ALA 20 OK 36 90 - 40 - 3.0/29=7, 3.0/28=6...(16) HG3 GLU 50 - H ALA 20 lone 7 73 - 9 - 3.0/29=2, 3.0/29=2, ~4938=1 HG2 GLU 25 - H ALA 20 lone 6 63 - 9 - 3.0/29=1, 5514/2.9=1...(4) Peak 33 from nnoeabs.peaks (4.26, 8.39, 107.77 ppm; 3.90 A): 1 out of 13 assignments used, quality = 1.00: * HA ALA 20 + H GLY 21 OK 100 100 - 100 - 3.6=100 HA LEU 64 - H GLY 21 OK 42 100 - 42 - 3914=7, 3.0/935=7...(15) HA GLU 19 - H GLY 21 OK 18 100 - 18 - 498/4.5=8, 1240/3.6=3, 1146=2 HA ALA 77 - H GLY 21 poor 9 63 - 14 - 2.1/34=3, 3725=2...(4) HA ARG 17 - H GLY 21 lone 7 89 - 8 - 1146=1, 3720/4.5=1 HA LYS 39 - H GLY 21 lone 7 97 - 7 - HA LYS 75 - H GLY 21 lone 6 89 - 6 - HA THR 15 - H GLY 21 lone 4 92 - 5 - 1128/4.5=1 HA LYS 83 - H GLY 21 lone 3 87 - 4 - HA SER 60 - H GLY 21 lone 3 89 - 3 - HA ASP 38 - H GLY 21 lone 2 87 - 2 - HA ALA 12 - H GLY 21 lone 2 100 - 2 - HA THR 88 - H GLY 21 lone 1 85 - 1 - Peak 34 from nnoeabs.peaks (1.38, 8.39, 107.77 ppm; 4.34 A): 1 out of 13 assignments used, quality = 1.00: * QB ALA 20 + H GLY 21 OK 100 100 - 100 - 3.6=100 QB ALA 77 - H GLY 21 OK 18 100 - 18 - 3726=4, 1239/4.5=2...(9) HG3 ARG 69 - H GLY 21 lone 9 100 - 9 - 499/4.5=2 HB3 ARG 69 - H GLY 21 lone 7 89 - 8 - 499/4.5=2 QB ALA 78 - H GLY 21 lone 7 97 - 7 - 4.6/3726=2, 3726=1, 1239/4.5=1 QB ALA 16 - H GLY 21 lone 5 87 - 6 - HG3 LYS 75 - H GLY 21 lone 5 96 - 5 - HG2 LYS 75 - H GLY 21 lone 5 96 - 5 - HG3 LYS 39 - H GLY 21 lone 4 65 - 6 - QB ALA 53 - H GLY 21 lone 3 92 - 3 - HG3 LYS 73 - H GLY 21 lone 3 97 - 3 - HG2 LYS 83 - H GLY 21 lone 3 98 - 3 - HG2 LYS 85 - H GLY 21 lone 2 100 - 2 - Peak 36 from nnoeabs.peaks (3.95, 8.21, 115.99 ppm; 3.70 A): 2 out of 13 assignments used, quality = 1.00: * HA2 GLY 21 + H SER 22 OK 100 100 - 100 - 3.5=100 HA3 GLY 21 + H SER 22 OK 100 100 - 100 - 3.5=100 HA ALA 28 - H SER 22 lone 8 99 - 8 - 1470=2, 2.1/1473=1 HA VAL 76 - H SER 22 lone 5 90 - 5 - 3.0/4152=1, 3984=1 HA GLU 50 - H SER 22 lone 4 96 - 5 - 3.0/4152=1, 3.0/4152=1 HA GLN 61 - H SER 22 lone 3 95 - 3 - 5758/4.5=2 HA THR 37 - H SER 22 lone 2 90 - 2 - HA LEU 62 - H SER 22 lone 1 63 - 2 - 4674/4.5=2 HA ARG 66 - H SER 22 lone 1 71 - 2 - HA3 GLY 18 - H SER 22 lone 1 76 - 1 - HA LYS 32 - H SER 22 lone 1 71 - 2 - HA2 GLY 18 - H SER 22 lone 1 73 - 1 - HA2 GLY 72 - H SER 22 lone 1 97 - 1 - Peak 37 from nnoeabs.peaks (3.95, 8.21, 115.99 ppm; 3.70 A): 2 out of 13 assignments used, quality = 1.00: * HA3 GLY 21 + H SER 22 OK 100 100 - 100 - 3.5=100 HA2 GLY 21 + H SER 22 OK 100 100 - 100 - 3.5=100 HA ALA 28 - H SER 22 lone 8 99 - 8 - 1470=2, 2.1/1473=1 HA VAL 76 - H SER 22 lone 5 89 - 5 - 3.0/4152=1, 3984=1 HA GLU 50 - H SER 22 lone 4 95 - 5 - 3.0/4152=1, 3.0/4152=1 HA GLN 61 - H SER 22 lone 3 93 - 3 - 5758/4.5=2 HA THR 37 - H SER 22 lone 2 92 - 2 - HA LEU 62 - H SER 22 lone 2 65 - 2 - 4674/4.5=2 HA ARG 66 - H SER 22 lone 1 68 - 2 - HA3 GLY 18 - H SER 22 lone 1 78 - 1 - HA2 GLY 18 - H SER 22 lone 1 76 - 1 - HA LYS 32 - H SER 22 lone 1 68 - 2 - HA2 GLY 72 - H SER 22 lone 1 96 - 1 - Peak 39 from nnoeabs.peaks (4.45, 8.49, 122.99 ppm; 4.62 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 22 + H ARG 23 OK 100 100 - 100 - 3.6=100 HA TYR 81 - H ARG 23 OK 24 96 - 25 - 3729=8, 1251/4.4=5...(6) HA PRO 14 - H ARG 23 OK 16 99 - 16 - 1257/4.4=5, 504/4.6=5...(4) HA THR 58 - H ARG 23 lone 5 92 - 6 - 3.6/930=1 HA MET 31 - H ARG 23 lone 4 65 - 6 - 6117/4.6=2, ~5518=1 HA ASP 67 - H ARG 23 lone 2 60 - 3 - 5503/3.0=1 Peak 40 from nnoeabs.peaks (4.01, 8.49, 122.99 ppm; 5.14 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 22 + H ARG 23 OK 100 100 - 100 - 4.4=100 HA ARG 54 - H ARG 23 OK 16 100 - 16 - 1258/4.4=5, 1250/3.6=4...(4) HA ARG 70 - H ARG 23 lone 9 98 - 9 - 4156/4.6=4, 505/4.6=2 HA PHE 48 - H ARG 23 lone 5 87 - 6 - 4156/4.6=1, 1258/4.4=1 HD2 PRO 44 - H ARG 23 lone 3 65 - 5 - 505/4.6=1 Peak 43 from nnoeabs.peaks (4.13, 8.34, 120.23 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 23 + H ASP 24 OK 100 100 - 100 - 3.6=100 HA ARG 27 + H ASP 24 OK 54 97 - 56 - ~5383=10, 3732=10...(20) HA ASN 49 - H ASP 24 lone 9 96 - 9 - ~4489=2, ~5360=2, ~4488=2 HA ALA 30 - H ASP 24 lone 5 98 - 5 - 508/4.6=1, 1285/4.9=1 HB THR 88 - H ASP 24 lone 3 99 - 3 - HA GLN 91 - H ASP 24 lone 2 99 - 2 - Peak 44 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 3 out of 13 assignments used, quality = 0.97: HB3 ARG 23 + H ASP 24 OK 78 100 - 78 - 4.2=70, 1286/4.9=6...(10) * HB2 ARG 23 + H ASP 24 OK 78 100 - 78 - 4.2=70, 1286/4.9=6...(10) HB2 ARG 27 + H ASP 24 OK 39 99 - 40 - 3.0/43=8, 4157/3.0=6...(17) HB3 ARG 27 - H ASP 24 OK 39 99 - 40 - 3.0/43=8, 4157/3.0=6...(17) HB2 ARG 71 - H ASP 24 OK 10 99 - 10 - 4157/3.0=2 HB3 ARG 71 - H ASP 24 OK 10 99 - 10 - 4157/3.0=2 HB2 LYS 39 - H ASP 24 lone 4 99 - 4 - HB2 LYS 75 - H ASP 24 lone 4 100 - 4 - HB2 ARG 17 - H ASP 24 lone 4 99 - 4 - HB2 ARG 66 - H ASP 24 lone 4 60 - 6 - HB ILE 89 - H ASP 24 lone 2 76 - 2 - HB3 PRO 34 - H ASP 24 lone 1 65 - 2 - HB2 LYS 73 - H ASP 24 lone 1 73 - 1 - Peak 45 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 3 out of 13 assignments used, quality = 0.97: * HB3 ARG 23 + H ASP 24 OK 78 100 - 78 - 4.2=70, 1286/4.9=6...(10) HB2 ARG 23 + H ASP 24 OK 78 100 - 78 - 4.2=70, 1286/4.9=6...(10) HB2 ARG 27 + H ASP 24 OK 40 100 - 40 - 3.0/43=8, 4157/3.0=6...(17) HB3 ARG 27 - H ASP 24 OK 39 99 - 40 - 3.0/43=8, 4157/3.0=6...(17) HB2 ARG 71 - H ASP 24 OK 10 100 - 10 - 4157/3.0=2 HB3 ARG 71 - H ASP 24 OK 10 99 - 10 - 4157/3.0=2 HB2 LYS 39 - H ASP 24 lone 4 99 - 4 - HB2 LYS 75 - H ASP 24 lone 4 100 - 4 - HB2 ARG 66 - H ASP 24 lone 4 63 - 6 - HB2 ARG 17 - H ASP 24 lone 4 99 - 4 - HB ILE 89 - H ASP 24 lone 1 73 - 2 - HB3 PRO 34 - H ASP 24 lone 1 68 - 2 - HB2 LYS 73 - H ASP 24 lone 1 71 - 1 - Peak 50 from nnoeabs.peaks (8.34, 8.20, 121.35 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.94: * H ASP 24 + H GLU 25 OK 91 100 - 91 - 4.6=84, 4.0/52=21...(6) H ALA 16 + H GLU 25 OK 15 90 - 16 - 3.6/1128=3, 2.9/5511=3...(7) H GLU 19 + H GLU 25 OK 15 93 - 16 - 4.9/523=2, 4.9/523=2...(9) H LYS 83 - H GLU 25 lone 5 73 - 6 - Peak 51 from nnoeabs.peaks (4.49, 8.20, 121.35 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 24 + H GLU 25 OK 100 100 - 100 - 3.6=100 HA ASP 46 - H GLU 25 OK 21 99 - 22 - 3.0/52=6, 1321/4.5=6...(5) HA ASP 67 - H GLU 25 lone 8 97 - 8 - 4169/4.6=3, 1321/4.5=1 HA TYR 81 - H GLU 25 lone 3 65 - 4 - Peak 52 from nnoeabs.peaks (2.56, 8.20, 121.35 ppm; 3.86 A): 2 out of 3 assignments used, quality = 0.76: * HB2 ASP 24 + H GLU 25 OK 70 100 - 70 - 4.5=62, 517/4.6=15...(4) HB3 ASP 46 + H GLU 25 OK 20 99 - 20 - 1318/3.6=7, 3.0/51=5...(4) HB2 GLN 61 - H GLU 25 lone 4 63 - 6 - 1318/3.6=1, 2536/4.5=1 Peak 53 from nnoeabs.peaks (2.59, 8.20, 121.35 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.75: * HB3 ASP 24 + H GLU 25 OK 69 100 - 69 - 4.5=62, 518/4.6=15, 5524/2.9=2 HB3 ASP 47 + H GLU 25 OK 17 100 - 17 - 1319/3.6=6, 518/4.6=4...(4) HG2 GLN 61 - H GLU 25 lone 8 95 - 9 - 1319/3.6=3, 518/4.6=2 Peak 54 from nnoeabs.peaks (8.20, 8.13, 119.29 ppm; 3.38 A): 3 out of 18 assignments used, quality = 0.88: * H GLU 25 + H ARG 26 OK 66 100 - 66 - 4.6=39, 2.9/55=10...(11) H ARG 27 + H ARG 26 OK 47 76 - 62 - 4.6=39, 3.0/5345=10...(15) H ALA 28 + H ARG 26 OK 34 96 - 35 - 4.6/5380=10, 3.6/5345=8...(11) H ALA 77 - H ASN 74 poor 10 34 - 28 - ~16041=9, 6039/3.0=5...(7) H SER 22 - H ARG 26 lone 8 97 - 8 - 4152/4.7=3, 4152/4.7=3 H THR 15 - H ARG 26 lone 7 100 - 6 - 4.0/58=2 H ARG 84 - H ARG 26 lone 5 100 - 5 - H ILE 89 - H ARG 26 lone 3 63 - 6 - 4.4/3589=1, 3.5/5997=1 H ARG 84 - H ASN 74 lone 3 58 - 5 - 841/3.6=2 H GLU 25 - H ASN 74 lone 2 58 - 4 - 904=1 H ALA 77 - H ARG 26 lone 2 71 - 3 - H ILE 89 - H ASN 74 lone 2 30 - 7 - 876/3.6=2, 877/4.3=2, 4.0/5998=1 H GLN 79 - H ASN 74 lone 2 48 - 4 - 3.6/3182=1 H ARG 27 - H ASN 74 lone 2 37 - 4 - 5380=1 H ALA 28 - H ASN 74 lone 2 52 - 3 - H GLN 79 - H ARG 26 lone 1 92 - 1 - H THR 15 - H ASN 74 lone 1 58 - 1 - H SER 22 - H ASN 74 lone 0 54 - 1 - Peak 55 from nnoeabs.peaks (4.09, 8.13, 119.29 ppm; 3.19 A): 2 out of 12 assignments used, quality = 0.97: * HA GLU 25 + H ARG 26 OK 84 100 - 84 - 3.6=72, 2.9/904=14...(9) HA ARG 26 + H ARG 26 OK 83 83 - 100 - 3.0=100 HA ARG 71 - H ARG 26 OK 25 95 - 27 - 3.8/530=3, 3742=3...(10) HA ARG 27 - H ARG 26 OK 23 65 - 35 - 3.0/5380=16, 3.6/54=3...(9) HA ARG 71 - H ASN 74 poor 7 51 - 13 - 5836/4.0=3, 5836/4.0=3...(4) HA ALA 63 - H ARG 26 lone 5 65 - 7 - HA ARG 26 - H ASN 74 poor 4 42 - 10 - 6010/4.0=2, 5836/4.0=2...(4) HA GLU 25 - H ASN 74 lone 4 58 - 7 - 6078/5.6=1, 6010/4.0=1 HA VAL 90 - H ARG 26 lone 4 95 - 4 - HA VAL 90 - H ASN 74 lone 1 51 - 2 - HA ARG 27 - H ASN 74 lone 1 31 - 2 - HA ALA 63 - H ASN 74 lone 1 31 - 2 - Peak 56 from nnoeabs.peaks (2.05, 8.13, 119.29 ppm; 3.43 A): 3 out of 30 assignments used, quality = 0.93: * HB2 GLU 25 + H ARG 26 OK 73 100 - 73 - 4.7=40, 4.0/904=12...(18) HB3 GLU 25 + H ARG 26 OK 73 100 - 73 - 4.7=40, 4.0/904=12...(18) HB VAL 76 + H ASN 74 OK 11 55 - 21 - 16037/3.6=18, 4.4/5858=3 HB3 GLU 19 - H ARG 26 lone 7 92 - 8 - 3.0/58=1, 3.0/58=1 HB3 GLN 91 - H ARG 26 lone 6 95 - 6 - 3.0/5345=2 HB2 GLU 87 - H ARG 26 lone 4 78 - 6 - 3.0/4030=1, 4.0/5899=1 HG2 PRO 56 - H ARG 26 lone 4 90 - 4 - HB3 PRO 56 - H ARG 26 lone 3 78 - 4 - HB2 GLU 50 - H ARG 26 lone 3 95 - 3 - HB3 GLU 50 - H ARG 26 lone 3 95 - 3 - HB VAL 76 - H ARG 26 lone 3 98 - 3 - HB3 MET 31 - H ARG 26 lone 3 89 - 3 - HB2 GLU 25 - H ASN 74 lone 2 58 - 4 - HB3 GLU 25 - H ASN 74 lone 2 58 - 4 - HG2 PRO 44 - H ARG 26 lone 2 99 - 2 - HG2 PRO 56 - H ASN 74 lone 2 47 - 4 - HB3 PRO 56 - H ASN 74 lone 2 39 - 4 - 2.3/3879=1 HD2 ARG 69 - H ASN 74 lone 2 37 - 4 - 6037/3.6=1 HD3 ARG 69 - H ASN 74 lone 2 37 - 4 - 6037/3.6=1 HB VAL 45 - H ARG 26 lone 1 96 - 1 - HD3 ARG 69 - H ARG 26 lone 1 76 - 1 - HD2 ARG 69 - H ARG 26 lone 1 76 - 1 - HB3 MET 31 - H ASN 74 lone 1 46 - 2 - HG2 PRO 44 - H ASN 74 lone 1 57 - 1 - HB2 GLU 50 - H ASN 74 lone 1 51 - 1 - HB3 GLU 50 - H ASN 74 lone 1 51 - 1 - HB3 GLU 19 - H ASN 74 lone 1 48 - 1 - HB VAL 45 - H ASN 74 lone 1 52 - 1 - HB2 GLU 87 - H ASN 74 lone 1 39 - 1 - HB3 GLN 91 - H ASN 74 lone 0 51 - 1 - Peak 57 from nnoeabs.peaks (2.05, 8.13, 119.29 ppm; 3.43 A): 3 out of 30 assignments used, quality = 0.93: HB2 GLU 25 + H ARG 26 OK 73 100 - 73 - 4.7=40, 4.0/904=12...(18) * HB3 GLU 25 + H ARG 26 OK 73 100 - 73 - 4.7=40, 4.0/904=12...(18) HB VAL 76 + H ASN 74 OK 11 54 - 21 - 16037/3.6=17, 4.4/5858=3 HB3 GLU 19 - H ARG 26 lone 7 90 - 8 - 3.0/58=1, 3.0/58=1 HB3 GLN 91 - H ARG 26 lone 5 93 - 6 - 3.0/5345=2 HB2 GLU 87 - H ARG 26 lone 4 76 - 6 - 3.0/4030=1, 4.0/5899=1 HG2 PRO 56 - H ARG 26 lone 4 89 - 4 - HB3 PRO 56 - H ARG 26 lone 3 76 - 4 - HB2 GLU 50 - H ARG 26 lone 3 93 - 3 - HB3 GLU 50 - H ARG 26 lone 3 93 - 3 - HB VAL 76 - H ARG 26 lone 3 97 - 3 - HB3 MET 31 - H ARG 26 lone 3 90 - 3 - HB2 GLU 25 - H ASN 74 lone 2 58 - 4 - HB3 GLU 25 - H ASN 74 lone 2 58 - 4 - HG2 PRO 44 - H ARG 26 lone 2 99 - 2 - HG2 PRO 56 - H ASN 74 lone 2 46 - 4 - HB3 PRO 56 - H ASN 74 lone 2 37 - 4 - 2.3/3879=1 HD2 ARG 69 - H ASN 74 lone 2 36 - 4 - 6037/3.6=1 HD3 ARG 69 - H ASN 74 lone 2 36 - 4 - 6037/3.6=1 HB VAL 45 - H ARG 26 lone 1 97 - 1 - HD3 ARG 69 - H ARG 26 lone 1 73 - 1 - HD2 ARG 69 - H ARG 26 lone 1 73 - 1 - HB3 MET 31 - H ASN 74 lone 1 47 - 2 - HG2 PRO 44 - H ASN 74 lone 1 56 - 1 - HB2 GLU 50 - H ASN 74 lone 1 50 - 1 - HB3 GLU 50 - H ASN 74 lone 1 50 - 1 - HB VAL 45 - H ASN 74 lone 1 53 - 1 - HB3 GLU 19 - H ASN 74 lone 1 47 - 1 - HB2 GLU 87 - H ASN 74 lone 0 37 - 1 - HB3 GLN 91 - H ASN 74 lone 0 50 - 1 - Peak 58 from nnoeabs.peaks (2.26, 8.13, 119.29 ppm; 4.53 A): 2 out of 8 assignments used, quality = 0.76: * HG2 GLU 25 + H ARG 26 OK 72 100 - 72 - 523/4.6=17, 1332/3.6=16...(15) HB2 PRO 14 + H ARG 26 OK 16 89 - 18 - 523/4.6=4, 1332/3.6=3...(9) HG3 GLU 19 - H ARG 26 poor 9 63 - 14 - 523/4.6=2, 1332/3.6=2...(5) HG2 GLU 19 - H ARG 26 poor 9 63 - 14 - 523/4.6=2, 1332/3.6=2...(5) HG2 GLU 25 - H ASN 74 lone 4 58 - 6 - 1.8/3746=1 HB2 PRO 14 - H ASN 74 lone 1 46 - 2 - HG2 GLU 19 - H ASN 74 lone 1 30 - 2 - HG3 GLU 19 - H ASN 74 lone 1 30 - 2 - Peak 61 from nnoeabs.peaks (4.07, 8.18, 120.59 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 26 + H ARG 27 OK 100 100 - 100 - 3.6=100 HA GLU 25 - H ARG 27 OK 32 83 - 39 - 3.6/5380=17, 3.0/5522=4...(11) HA ARG 71 - H ARG 27 OK 30 99 - 31 - 2.9/5380=5, 3747=4...(9) HA ALA 63 - H ARG 27 lone 9 99 - 9 - 5369/4.6=2, 5369/4.6=2 HA VAL 90 - H ARG 27 lone 2 99 - 2 - HA GLU 59 - H ARG 27 lone 1 73 - 2 - Peak 62 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.95 A): 6 out of 15 assignments used, quality = 0.92: HB3 ARG 26 + H ARG 27 OK 49 100 - 49 - 4.6=26, 3.9/5380=9...(10) * HB2 ARG 26 + H ARG 27 OK 49 100 - 49 - 4.6=26, 3.9/5380=9...(10) HB3 ARG 27 + H ARG 27 OK 39 68 - 57 - 4.1=38, 2.9/538=4...(16) HB2 ARG 27 + H ARG 27 OK 38 65 - 57 - 4.1=38, 2.9/538=4...(16) HB3 ARG 71 + H ARG 27 OK 12 68 - 18 - 3.0/61=3, 2.8/65=2...(6) HB2 ARG 71 + H ARG 27 OK 12 65 - 18 - 3.0/61=3, 2.8/65=2...(6) HB2 ARG 66 - H ARG 27 lone 4 100 - 4 - HB ILE 68 - H ARG 27 lone 3 89 - 3 - 3.2/5377=2 HB3 PRO 34 - H ARG 27 lone 3 99 - 3 - HB3 GLU 87 - H ARG 27 lone 2 63 - 4 - 4.6/5380=2 HB3 PRO 14 - H ARG 27 lone 2 99 - 2 - HB2 GLN 91 - H ARG 27 lone 2 89 - 2 - HB2 LYS 39 - H ARG 27 lone 1 71 - 1 - HG12 ILE 40 - H ARG 27 lone 1 71 - 1 - HB2 MET 11 - H ARG 27 lone 1 100 - 1 - Peak 63 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.95 A): 6 out of 16 assignments used, quality = 0.92: * HB3 ARG 26 + H ARG 27 OK 49 100 - 49 - 4.6=26, 3.9/5380=9...(10) HB2 ARG 26 + H ARG 27 OK 49 100 - 49 - 4.6=26, 3.9/5380=9...(10) HB3 ARG 27 + H ARG 27 OK 38 65 - 57 - 4.1=38, 2.9/538=4...(16) HB2 ARG 27 + H ARG 27 OK 36 63 - 57 - 4.1=38, 2.9/538=4...(16) HB3 ARG 71 + H ARG 27 OK 12 65 - 18 - 3.0/61=3, 2.8/65=2...(6) HB2 ARG 71 + H ARG 27 OK 11 63 - 18 - 3.0/61=3, 2.8/65=2...(6) HB2 ARG 66 - H ARG 27 lone 4 100 - 4 - HB ILE 68 - H ARG 27 lone 3 90 - 3 - 3.2/5377=2 HB3 PRO 34 - H ARG 27 lone 3 99 - 3 - HB3 GLU 87 - H ARG 27 lone 2 65 - 4 - 4.6/5380=2 HB3 PRO 14 - H ARG 27 lone 2 99 - 2 - HB2 GLN 91 - H ARG 27 lone 2 90 - 2 - HB2 GLU 19 - H ARG 27 lone 1 60 - 2 - HB2 LYS 39 - H ARG 27 lone 1 68 - 1 - HG12 ILE 40 - H ARG 27 lone 1 73 - 1 - HB2 MET 11 - H ARG 27 lone 1 100 - 1 - Peak 64 from nnoeabs.peaks (1.62, 8.18, 120.59 ppm; 3.87 A): 3 out of 16 assignments used, quality = 0.97: HG2 ARG 27 + H ARG 27 OK 77 97 - 79 - 5.0=47, 2.9/536=8...(26) HG3 ARG 27 + H ARG 27 OK 76 97 - 79 - 5.0=47, 2.9/536=8...(26) * HG2 ARG 26 + H ARG 27 OK 51 100 - 51 - 4.9/5380=12, 3.0/63=9...(13) HG2 ARG 71 - H ARG 27 OK 33 100 - 33 - 1.8/65=6, 3.8/61=4...(9) HG3 ARG 17 - H ARG 27 OK 22 100 - 22 - 2.9/65=3, 1438=2...(8) HG2 ARG 17 - H ARG 27 OK 22 100 - 22 - 2.9/65=3, 1438=2...(8) HD3 LYS 32 - H ARG 27 OK 10 98 - 10 - 3.0/5520=3, 72/4.6=1 HD2 LYS 32 - H ARG 27 poor 10 97 - 10 - 3.0/5520=3, 72/4.6=1 HG3 ARG 70 - H ARG 27 lone 7 98 - 7 - 5.0/5380=3 HB2 LEU 86 - H ARG 27 lone 6 99 - 6 - 3.1/5521=2 HD3 LYS 73 - H ARG 27 lone 4 97 - 4 - HD2 LYS 73 - H ARG 27 lone 4 97 - 4 - HG LEU 86 - H ARG 27 lone 4 76 - 5 - 2.1/5521=2 HG3 ARG 84 - H ARG 27 lone 3 63 - 5 - 3.0/5890=1 HG2 ARG 84 - H ARG 27 lone 3 63 - 5 - 3.0/5890=1 HB3 LEU 51 - H ARG 27 lone 3 78 - 3 - 1.8/5520=1 Peak 65 from nnoeabs.peaks (1.75, 8.18, 120.59 ppm; 4.67 A): 6 out of 15 assignments used, quality = 0.92: * HG3 ARG 26 + H ARG 27 OK 67 100 - 67 - 4.9/5380=18, 3.0/63=11...(26) HG3 ARG 71 + H ARG 27 OK 50 100 - 50 - 2929/3.6=9, 2928/4.6=6...(18) HB3 ARG 17 + H ARG 27 OK 28 100 - 28 - 5890=3, 3.0/5485=3...(10) HG2 PRO 34 + H ARG 27 OK 14 97 - 14 - 1723/4.6=2, 1723/4.6=2...(4) HB2 LEU 62 + H ARG 27 OK 11 100 - 11 - 4678/3.6=4, 530/4.6=2 HB2 LEU 57 + H ARG 27 OK 11 87 - 13 - 1.8/5519=2, 2435/4.6=1...(4) HB2 LEU 43 - H ARG 27 poor 9 73 - 13 - 3.1/5521=3, 1.8/5519=3, ~4807=1 HB3 LYS 32 - H ARG 27 poor 9 71 - 13 - 2.9/5520=4, 4180/5520=1...(5) HB2 LYS 32 - H ARG 27 poor 9 71 - 13 - 2.9/5520=4, 4180/5520=1...(5) HB ILE 33 - H ARG 27 poor 9 83 - 11 - 4219/5520=2, 3.0/5519=2 HB2 ARG 84 - H ARG 27 poor 9 78 - 11 - 5890=2, 1.8/5891=2 HB3 LYS 73 - H ARG 27 lone 5 60 - 8 - 4.3/5380=1 HB3 LYS 85 - H ARG 27 lone 5 68 - 7 - 2.9/5519=1, 4.0/5380=1 HB3 ARG 82 - H ARG 27 lone 3 89 - 3 - HB2 ARG 54 - H ARG 27 lone 3 89 - 3 - Peak 69 from nnoeabs.peaks (4.12, 8.21, 122.47 ppm; 3.56 A): 1 out of 14 assignments used, quality = 0.99: * HA ARG 27 + H ALA 28 OK 99 100 - 99 - 3.6=99, 3.0/71=7...(8) HA GLU 25 - H ALA 28 OK 23 65 - 36 - 4181/2.9=6, 3.6/54=4...(15) HA ALA 30 - H ALA 28 OK 15 83 - 18 - 3.0/5538=7, ~5535=3...(5) HA ARG 23 - H ALA 28 OK 11 97 - 12 - 3.6/903=3, 534/4.6=2...(5) HA ARG 27 - H ARG 84 lone 5 86 - 6 - 3754=1 HA ALA 30 - H ARG 84 lone 3 65 - 5 - 3.0/5538=3 HA ARG 23 - H ARG 84 lone 3 80 - 3 - HB THR 88 - H ALA 28 lone 3 100 - 3 - 534/4.6=1 HA ASN 49 - H ALA 28 lone 2 76 - 3 - 4484/2.9=2 HA GLU 25 - H ARG 84 lone 2 50 - 4 - HA GLN 91 - H ALA 28 lone 2 87 - 2 - HB THR 88 - H ARG 84 lone 1 85 - 1 - HA GLN 91 - H ARG 84 lone 1 69 - 1 - HA ASN 49 - H ARG 84 lone 0 59 - 1 - Peak 70 from nnoeabs.peaks (1.85, 8.21, 122.47 ppm; 3.47 A): 2 out of 28 assignments used, quality = 0.89: HB3 ARG 27 + H ALA 28 OK 68 100 - 68 - 4.3=51, 3.0/69=15...(10) * HB2 ARG 27 + H ALA 28 OK 68 100 - 68 - 4.3=51, 3.0/69=15...(10) HB2 ARG 26 - H ALA 28 OK 15 65 - 24 - 3.9/54=3, 3.0/5347=3...(10) HB3 ARG 26 - H ALA 28 OK 15 63 - 24 - 3.9/54=3, 3.0/5347=3...(10) HB3 ARG 71 - H ALA 28 OK 14 100 - 14 - 3.0/5347=2, 3755=1...(5) HB2 ARG 71 - H ALA 28 OK 14 100 - 14 - 3.0/5347=2, 3755=1...(5) HB3 ARG 23 - H ALA 28 OK 11 100 - 11 - 4.2/903=2, 3.0/69=2...(4) HB2 ARG 23 - H ALA 28 OK 10 99 - 11 - 4.2/903=2, 3.0/69=2...(4) HB2 ARG 66 - H ALA 28 lone 7 76 - 10 - HB ILE 89 - H ALA 28 poor 7 60 - 12 - 2.1/4171=3, ~4177=2...(5) HB2 LYS 75 - H ALA 28 lone 6 97 - 7 - 4.6/5411=2 HB ILE 89 - H ARG 84 poor 6 45 - 14 - 2.1/4171=2, 3605/3.0=2...(7) HB2 LYS 75 - H ARG 84 lone 6 81 - 8 - 3076/4.6=1 HB2 LYS 39 - H ALA 28 lone 6 100 - 6 - HB2 ARG 17 - H ARG 84 lone 5 77 - 7 - HB2 ARG 71 - H ARG 84 lone 5 86 - 6 - HB3 ARG 71 - H ARG 84 lone 5 86 - 6 - HB2 LYS 39 - H ARG 84 lone 5 86 - 6 - HB2 ARG 17 - H ALA 28 lone 4 95 - 4 - HB2 ARG 27 - H ARG 84 lone 4 86 - 4 - HB3 ARG 27 - H ARG 84 lone 4 86 - 4 - HB3 ARG 23 - H ARG 84 lone 3 85 - 4 - HB2 ARG 23 - H ARG 84 lone 3 84 - 4 - HB3 PRO 34 - H ALA 28 lone 3 81 - 4 - HB2 ARG 26 - H ARG 84 lone 2 50 - 4 - HB3 ARG 26 - H ARG 84 lone 2 48 - 4 - HB2 ARG 66 - H ARG 84 lone 1 59 - 2 - HB3 PRO 34 - H ARG 84 lone 1 63 - 2 - Peak 71 from nnoeabs.peaks (1.85, 8.21, 122.47 ppm; 3.47 A): 2 out of 26 assignments used, quality = 0.89: * HB3 ARG 27 + H ALA 28 OK 68 100 - 68 - 4.3=51, 3.0/69=15...(10) HB2 ARG 27 + H ALA 28 OK 68 100 - 68 - 4.3=51, 3.0/69=15...(10) HB2 ARG 26 - H ALA 28 OK 16 68 - 24 - 3.9/54=3, 3.0/5347=3...(10) HB3 ARG 26 - H ALA 28 OK 15 65 - 24 - 3.9/54=3, 3.0/5347=3...(10) HB3 ARG 71 - H ALA 28 OK 14 100 - 14 - 3.0/5347=2, 3755=1...(5) HB2 ARG 71 - H ALA 28 OK 14 100 - 14 - 3.0/5347=2, 3755=1...(5) HB3 ARG 23 - H ALA 28 OK 10 99 - 11 - 4.2/903=2, 3.0/69=2...(4) HB2 ARG 23 - H ALA 28 OK 10 99 - 11 - 4.2/903=2, 3.0/69=2...(4) HB2 ARG 66 - H ALA 28 lone 8 78 - 10 - HB2 LYS 75 - H ALA 28 lone 6 97 - 7 - 4.6/5411=2 HB2 LYS 75 - H ARG 84 lone 6 80 - 8 - 3076/4.6=1 HB2 LYS 39 - H ALA 28 lone 6 100 - 6 - HB2 ARG 71 - H ARG 84 lone 5 86 - 6 - HB3 ARG 71 - H ARG 84 lone 5 86 - 6 - HB2 ARG 17 - H ARG 84 lone 5 76 - 7 - HB2 LYS 39 - H ARG 84 lone 5 86 - 6 - HB2 ARG 17 - H ALA 28 lone 4 93 - 4 - HB2 ARG 27 - H ARG 84 lone 4 86 - 4 - HB3 ARG 27 - H ARG 84 lone 4 86 - 4 - HB3 ARG 23 - H ARG 84 lone 3 84 - 4 - HB2 ARG 23 - H ARG 84 lone 3 83 - 4 - HB3 PRO 34 - H ALA 28 lone 3 83 - 4 - HB2 ARG 26 - H ARG 84 lone 2 52 - 4 - HB3 ARG 26 - H ARG 84 lone 2 50 - 4 - HB2 ARG 66 - H ARG 84 lone 1 61 - 2 - HB3 PRO 34 - H ARG 84 lone 1 65 - 2 - Peak 72 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.52 A): 5 out of 26 assignments used, quality = 0.92: * HG2 ARG 27 + H ALA 28 OK 51 100 - 51 - 3.8/69=20, 2.9/71=10...(8) HG3 ARG 27 + H ALA 28 OK 51 100 - 51 - 3.8/69=20, 2.9/71=10...(8) HD3 LYS 32 + H ALA 28 OK 33 85 - 39 - 3.0/543=5, ~1472=3...(19) HG2 ARG 26 + H ALA 28 OK 32 97 - 33 - 4.9/54=4, 537/4.6=4...(12) HD2 LYS 32 + H ALA 28 OK 31 81 - 39 - 3.0/543=5, ~1472=3...(19) HG2 ARG 71 - H ALA 28 OK 19 96 - 20 - 3.8/5347=3, 537/4.6=3...(6) HB3 GLN 61 - H ALA 28 OK 13 63 - 20 - ~5533=5, ~2533=3...(8) HB2 LEU 86 - H ALA 28 OK 12 89 - 14 - ~5321=3, 3.1/4171=2...(5) HD2 LYS 73 - H ARG 84 OK 11 63 - 17 - ~2962=1, ~2989=1...(7) HD3 LYS 73 - H ARG 84 OK 11 63 - 17 - ~2962=1, ~2989=1...(7) HG3 ARG 17 - H ARG 84 OK 11 78 - 14 - 3757=1, 1.8/3757=1 HG2 ARG 17 - H ARG 84 OK 10 77 - 14 - 3757=1, 1.8/3757=1 HG3 ARG 17 - H ALA 28 OK 10 96 - 11 - 537/4.6=2, 1418/3.6=2, 3757=1 HG2 ARG 17 - H ALA 28 OK 10 95 - 11 - 537/4.6=2, 1418/3.6=2, 3757=1 HG2 ARG 71 - H ARG 84 poor 8 78 - 11 - HD3 LYS 32 - H ARG 84 poor 7 67 - 10 - HD2 LYS 32 - H ARG 84 poor 7 63 - 10 - HG2 ARG 27 - H ARG 84 lone 6 86 - 7 - 3.8/69=1 HG3 ARG 27 - H ARG 84 lone 6 86 - 7 - 3.8/69=1 HG2 ARG 26 - H ARG 84 lone 6 81 - 7 - HD2 LYS 73 - H ALA 28 lone 6 81 - 7 - HD3 LYS 73 - H ALA 28 lone 6 81 - 7 - HG3 ARG 70 - H ALA 28 lone 5 85 - 6 - 4.9/907=1 HG3 ARG 70 - H ARG 84 lone 5 67 - 7 - 4.9/907=1 HB2 LEU 86 - H ARG 84 lone 4 71 - 5 - HB3 GLN 61 - H ARG 84 lone 1 48 - 2 - Peak 73 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 4.52 A): 5 out of 26 assignments used, quality = 0.92: HG2 ARG 27 + H ALA 28 OK 51 100 - 51 - 3.8/69=20, 2.9/71=10...(8) * HG3 ARG 27 + H ALA 28 OK 51 100 - 51 - 3.8/69=20, 2.9/71=10...(8) HD3 LYS 32 + H ALA 28 OK 32 83 - 39 - 3.0/543=5, ~1472=3...(19) HG2 ARG 26 + H ALA 28 OK 32 97 - 33 - 4.9/54=4, 537/4.6=4...(12) HD2 LYS 32 + H ALA 28 OK 30 78 - 39 - 3.0/543=5, ~1472=3...(19) HG2 ARG 71 - H ALA 28 OK 19 95 - 20 - 3.8/5347=3, 537/4.6=3...(6) HB3 GLN 61 - H ALA 28 OK 13 65 - 20 - ~5533=5, ~2533=3...(8) HB2 LEU 86 - H ALA 28 OK 12 87 - 13 - ~5321=3, 3.1/4171=2...(5) HG3 ARG 17 - H ARG 84 OK 10 77 - 14 - 3757=1, 1.8/3757=1 HG2 ARG 17 - H ARG 84 OK 10 76 - 13 - 3757=1, 1.8/3757=1 HD2 LYS 73 - H ARG 84 OK 10 61 - 17 - ~2962=1, ~2989=1...(7) HD3 LYS 73 - H ARG 84 OK 10 61 - 17 - ~2962=1, ~2989=1...(7) HG3 ARG 17 - H ALA 28 OK 10 95 - 11 - 537/4.6=2, 1418/3.6=2, 3757=1 HG2 ARG 17 - H ALA 28 poor 10 93 - 11 - 537/4.6=2, 1418/3.6=2, 3757=1 HG2 ARG 71 - H ARG 84 poor 8 77 - 11 - HD3 LYS 32 - H ARG 84 poor 7 65 - 10 - HD2 LYS 32 - H ARG 84 poor 6 61 - 10 - HG2 ARG 27 - H ARG 84 lone 6 86 - 7 - 3.8/69=1 HG3 ARG 27 - H ARG 84 lone 6 86 - 7 - 3.8/69=1 HG2 ARG 26 - H ARG 84 lone 6 80 - 7 - HD2 LYS 73 - H ALA 28 lone 6 78 - 7 - HD3 LYS 73 - H ALA 28 lone 6 78 - 7 - HG3 ARG 70 - H ALA 28 lone 5 83 - 6 - 4.9/907=1 HG3 ARG 70 - H ARG 84 lone 5 65 - 7 - 4.9/907=1 HB2 LEU 86 - H ARG 84 lone 4 69 - 5 - HB3 GLN 61 - H ARG 84 lone 1 50 - 2 - Peak 76 from nnoeabs.peaks (8.21, 7.95, 119.22 ppm; 3.45 A): 4 out of 8 assignments used, quality = 0.78: * H ALA 28 + H LEU 29 OK 61 100 - 61 - 4.6=42, 2.9/78=17...(8) H ARG 84 + H LEU 29 OK 20 93 - 21 - 907=5, 4.0/546=2...(8) H GLU 25 + H LEU 29 OK 16 96 - 17 - 5511/3.6=5, 2.9/4184=5...(4) H ALA 77 + H LEU 29 OK 14 95 - 15 - 5433=3, 3.6/77=2...(6) H THR 15 - H LEU 29 lone 6 98 - 6 - 478/3.0=2, 1473/3.6=1 H SER 22 - H LEU 29 lone 5 100 - 5 - H GLN 79 - H LEU 29 lone 3 100 - 3 - H ALA 12 - H LEU 29 lone 2 68 - 3 - Peak 77 from nnoeabs.peaks (3.96, 7.95, 119.22 ppm; 3.69 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 28 + H LEU 29 OK 100 100 - 100 - 3.6=100 HA LYS 32 - H LEU 29 OK 26 85 - 31 - 1554=5, 1559/3.6=5...(10) HA VAL 76 - H LEU 29 OK 25 97 - 26 - 3156=5, 3.0/908=3...(9) HA GLN 61 - H LEU 29 OK 20 99 - 20 - 4841/4.6=2, 3.0/548=2...(8) HA ARG 66 - H LEU 29 OK 13 85 - 15 - 3.0/937=2, 3924=1...(4) HA GLU 50 - H LEU 29 OK 13 99 - 13 - 3.0/5525=3, 1474/3.6=1 HA2 GLY 72 - H LEU 29 OK 12 100 - 12 - 3.0/908=4, 3.6/908=3 HA2 GLY 21 - H LEU 29 lone 6 99 - 6 - HA3 GLY 21 - H LEU 29 lone 5 99 - 6 - HA THR 37 - H LEU 29 lone 5 78 - 6 - 1474/3.6=2, 542/4.6=1 HA3 GLY 18 - H LEU 29 lone 1 60 - 2 - HA2 GLY 18 - H LEU 29 lone 1 57 - 2 - Peak 78 from nnoeabs.peaks (1.34, 7.95, 119.22 ppm; 3.23 A): 4 out of 7 assignments used, quality = 0.90: * QB ALA 28 + H LEU 29 OK 81 100 - 81 - 3.6=73, 2.9/76=11...(7) HG3 LYS 32 + H LEU 29 OK 22 97 - 23 - 1594=4, 1472/3.6=4...(9) HB2 LEU 52 + H LEU 29 OK 18 100 - 19 - 1472/3.6=3, 1.8/5534=2...(7) HB2 LEU 51 + H LEU 29 OK 13 89 - 15 - 1.8/547=2, 4183/3.0=2...(6) QB ALA 12 - H LEU 29 lone 3 99 - 3 - QG2 THR 58 - H LEU 29 lone 2 68 - 4 - QB ALA 16 - H LEU 29 lone 2 81 - 2 - Peak 79 from nnoeabs.peaks (7.95, 7.98, 123.05 ppm; 2.72 A): 4 out of 6 assignments used, quality = 0.71: * H LEU 29 + H ALA 30 OK 51 100 - 51 - 908=23, 3.0/80=7...(13) H LYS 32 + H ALA 30 OK 20 97 - 21 - 4.6/86=5, 4205/3.6=4...(6) H ARG 70 + H ALA 30 OK 13 100 - 13 - 295=5, 1483/4.6=1 H ALA 63 + H ALA 30 OK 13 68 - 19 - 3.0/2606=2, 2.9/2609=2...(9) H VAL 76 - H ALA 30 lone 8 99 - 8 - 5431/3.6=1 H ASP 67 - H ALA 30 lone 5 81 - 6 - Peak 80 from nnoeabs.peaks (4.16, 7.98, 123.05 ppm; 3.35 A): 2 out of 10 assignments used, quality = 0.98: * HA LEU 29 + H ALA 30 OK 92 100 - 92 - 3.6=82, 3.0/908=16...(14) HA ALA 30 + H ALA 30 OK 71 71 - 100 - 3.0=100 HA ILE 89 - H ALA 30 OK 17 98 - 17 - 3.2/85=3, ~5539=2...(8) HA LYS 73 - H ALA 30 OK 11 92 - 13 - 1484/4.6=2, 3763=1, 545/4.6=1 HA ARG 84 - H ALA 30 poor 9 73 - 12 - 3.0/5538=2, 3.0/81=2...(5) HA ASN 49 - H ALA 30 poor 8 78 - 10 - 3.6/909=2, 4483/2.9=2...(4) HA ALA 53 - H ALA 30 lone 5 100 - 5 - 4560/4.5=1 HA ARG 82 - H ALA 30 lone 4 90 - 4 - HB THR 15 - H ALA 30 lone 3 99 - 3 - HA GLN 91 - H ALA 30 lone 2 65 - 3 - Peak 81 from nnoeabs.peaks (1.72, 7.98, 123.05 ppm; 3.65 A): 4 out of 10 assignments used, quality = 0.90: * HB2 LEU 29 + H ALA 30 OK 81 100 - 81 - 4.6=51, 4.0/908=13...(16) HB2 LEU 43 + H ALA 30 OK 22 99 - 22 - 1.8/553=4, 3.1/85=3...(8) HB3 LEU 64 + H ALA 30 OK 21 85 - 25 - 3.1/85=4, 4.0/261=3...(11) HB2 ARG 84 + H ALA 30 OK 12 97 - 13 - 4.0/5538=2, 546/4.6=2...(6) HG2 ARG 70 - H ALA 30 lone 9 99 - 9 - 4.9/79=2, 2864/4.6=2, 5.0/942=1 HG3 ARG 66 - H ALA 30 poor 9 81 - 11 - 2.8/4194=3, 4.1/4841=2 HB3 LYS 85 - H ALA 30 lone 9 99 - 8 - 6062/3.6=1, 2.9/553=1 HB3 LYS 83 - H ALA 30 lone 7 100 - 7 - 4.3/5538=2 HB2 ARG 82 - H ALA 30 lone 4 78 - 5 - 3235/3.6=2 HB3 ARG 17 - H ALA 30 lone 1 65 - 2 - Peak 82 from nnoeabs.peaks (1.58, 7.98, 123.05 ppm; 3.70 A): 3 out of 11 assignments used, quality = 0.93: * HB3 LEU 29 + H ALA 30 OK 83 100 - 83 - 4.6=53, 1.8/81=17...(16) HB3 LEU 62 + H ALA 30 OK 40 99 - 41 - 1.8/3907=7, 3765=5...(13) HG LEU 62 + H ALA 30 OK 32 93 - 34 - 2.1/84=6, 3.0/3907=6...(12) HB3 LEU 86 - H ALA 30 OK 20 89 - 22 - 3.1/84=4, 3.1/85=3...(7) HG LEU 86 - H ALA 30 OK 19 87 - 22 - 2.1/84=4, 2.1/85=4...(9) HB3 LEU 51 - H ALA 30 OK 12 85 - 14 - 1.8/5535=3, 3.0/84=2...(4) HG3 ARG 84 - H ALA 30 OK 10 95 - 11 - 3.0/81=2, 5.0/5538=2...(4) HG2 ARG 84 - H ALA 30 OK 10 95 - 11 - 3.0/81=2, 5.0/5538=2...(4) HG3 ARG 54 - H ALA 30 lone 7 100 - 7 - 4.8/909=1 HD3 LYS 39 - H ALA 30 lone 4 100 - 4 - HD2 LYS 39 - H ALA 30 lone 4 100 - 4 - Peak 83 from nnoeabs.peaks (1.67, 7.98, 123.05 ppm; 3.91 A): 8 out of 11 assignments used, quality = 0.92: * HG LEU 29 + H ALA 30 OK 70 100 - 70 - 3766=15, 1499/4.6=14...(15) HB3 GLN 61 + H ALA 30 OK 28 92 - 30 - ~5305=6, 4.0/5759=4...(9) HB3 LEU 64 + H ALA 30 OK 23 76 - 31 - 3.1/85=5, 4.0/261=3...(12) HB3 LYS 13 + H ALA 30 OK 16 99 - 16 - 3.0/553=2, 4842/3.0=2...(7) HD3 LYS 13 + H ALA 30 OK 16 98 - 16 - 2.9/553=2, 2.9/553=2...(6) HD2 LYS 13 + H ALA 30 OK 16 98 - 16 - 2.9/553=2, 2.9/553=2...(6) HG2 ARG 23 + H ALA 30 OK 11 100 - 11 - 1285/3.0=2, 3.8/5386=1 HG3 ARG 66 + H ALA 30 OK 11 81 - 13 - 2.8/4194=3, 4.1/4841=2...(4) HD3 LYS 75 - H ALA 30 lone 8 97 - 9 - 548/4.6=1 HD2 LYS 75 - H ALA 30 lone 8 97 - 9 - 548/4.6=1 HB2 ARG 82 - H ALA 30 lone 6 83 - 7 - 3235/3.6=2, 1487/4.6=1 Peak 84 from nnoeabs.peaks (0.88, 7.98, 123.05 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.94: * QD1 LEU 29 + H ALA 30 OK 79 100 - 79 - 3.1/81=19, 4.8/908=16...(17) QD1 LEU 62 + H ALA 30 OK 54 99 - 54 - 3.1/3907=8, 3.1/82=7...(15) QD1 LEU 86 + H ALA 30 OK 40 99 - 41 - 1488/4.6=7, 1481/3.6=6...(11) HG LEU 51 - H ALA 30 OK 19 96 - 20 - 3.0/5535=4, 1488/4.6=3...(6) QG2 VAL 90 - H ALA 30 OK 11 85 - 12 - 3.2/5387=3, 1481/3.6=2...(4) QG1 VAL 90 - H ALA 30 OK 10 83 - 12 - 3.2/5387=3, 1488/4.6=2...(4) Peak 85 from nnoeabs.peaks (0.84, 7.98, 123.05 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.96: * QD2 LEU 29 + H ALA 30 OK 79 100 - 79 - 3.1/81=18, 4.8/908=15...(17) QD2 LEU 64 + H ALA 30 OK 49 100 - 49 - 4192/4.5=6, 550/4.6=6...(16) QD2 LEU 86 + H ALA 30 OK 38 96 - 40 - 1489/4.6=6, 1512/3.6=5...(12) QG2 ILE 89 + H ALA 30 OK 38 100 - 38 - 3612/3.6=6, 5536/2.9=4...(13) QD1 LEU 43 - H ALA 30 OK 36 92 - 39 - 3.1/81=5, 4192/4.5=4...(14) Peak 86 from nnoeabs.peaks (7.98, 7.71, 115.23 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.71: * H ALA 30 + H MET 31 OK 66 100 - 66 - 4.5=46, 553/3.6=15...(6) H ALA 63 + H MET 31 OK 16 100 - 16 - 5780=3, 1521/3.6=2...(6) H GLY 72 - H MET 31 lone 9 99 - 9 - 1521/3.6=2, 1518/3.6=1 H ARG 69 - H MET 31 lone 8 100 - 8 - 940/4.6=2 H VAL 76 - H MET 31 lone 7 76 - 9 - 3.0/4193=2 H LYS 73 - H MET 31 lone 7 93 - 7 - 1521/3.6=1 Peak 87 from nnoeabs.peaks (4.13, 7.71, 115.23 ppm; 3.57 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 30 + H MET 31 OK 100 100 - 100 - 3.6=100 HA LEU 29 - H MET 31 OK 30 71 - 42 - 3.6/86=14, 3.0/5525=9...(9) HA ARG 27 - H MET 31 OK 18 83 - 22 - 4807/3.6=8, 5518=5...(5) HA ASN 49 - H MET 31 OK 17 100 - 17 - 3848=3, 3.0/922=3...(6) HA ALA 53 - H MET 31 lone 6 63 - 10 - 3.0/4559=2, 3.6/927=2...(4) HA ARG 23 - H MET 31 lone 5 98 - 5 - 4807/3.6=2, 5518=1 HA GLN 91 - H MET 31 lone 2 100 - 2 - HB THR 88 - H MET 31 lone 2 90 - 2 - Peak 88 from nnoeabs.peaks (1.45, 7.71, 115.23 ppm; 3.44 A): 2 out of 9 assignments used, quality = 0.94: * QB ALA 30 + H MET 31 OK 92 100 - 92 - 3.6=83, 2.9/86=16...(12) HG12 ILE 33 + H MET 31 OK 29 100 - 29 - 2.1/5550=5, 4.5/5544=5...(10) HB3 LEU 43 - H MET 31 OK 25 99 - 25 - 3.1/4192=3, 4195/4.0=3...(12) HB3 LEU 57 - H MET 31 OK 20 76 - 26 - 4601/4.7=4, 3.0/556=3...(11) HG13 ILE 89 - H MET 31 OK 15 99 - 15 - 3.2/4192=2, 4195/4.0=2...(7) HB3 LEU 52 - H MET 31 poor 9 63 - 14 - 1.8/5086=3, 3.9/5687=2...(4) HG3 LYS 13 - H MET 31 lone 8 97 - 8 - 1520/3.6=1, 553/4.5=1 HG2 LYS 13 - H MET 31 lone 5 78 - 6 - 1520/3.6=1 HG3 LYS 85 - H MET 31 lone 4 99 - 4 - Peak 89 from nnoeabs.peaks (7.71, 7.94, 118.73 ppm; 3.61 A): 5 out of 5 assignments used, quality = 0.90: * H MET 31 + H LYS 32 OK 80 100 - 80 - 4.6=47, 3.0/90=22...(15) H GLN 61 + H LYS 32 OK 20 71 - 28 - 711/4.9=4, 1524/3.6=4...(11) H TYR 55 + H LYS 32 OK 18 89 - 20 - 4.8/564=2, 5544/4.6=2...(10) H GLU 50 + H LYS 32 OK 16 83 - 19 - 4506/3.6=3, 1530/4.7=2...(8) H ASN 42 + H LYS 32 OK 13 97 - 13 - 146/4.7=2, 1524/3.6=2...(6) Peak 90 from nnoeabs.peaks (4.42, 7.94, 118.73 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.97: * HA MET 31 + H LYS 32 OK 97 100 - 97 - 3.6=96, 3.0/89=14...(8) HA THR 58 - H LYS 32 OK 26 96 - 28 - 1549/4.9=5, 1543/4.9=5...(6) HA SER 22 - H LYS 32 lone 3 65 - 4 - Peak 91 from nnoeabs.peaks (1.94, 7.94, 118.73 ppm; 4.70 A): 1 out of 9 assignments used, quality = 1.00: * HB2 MET 31 + H LYS 32 OK 100 100 - 100 - 4.7=100 HB3 ARG 66 - H LYS 32 OK 41 99 - 42 - 3.0/3924=5, 2.8/5802=5...(15) HG LEU 57 - H LYS 32 OK 36 85 - 42 - 5181/4.6=7, 1544/4.9=7...(11) HB2 ARG 70 - H LYS 32 OK 29 85 - 35 - 3.0/2840=4, 2.9/2864=4...(15) HB3 ARG 70 - H LYS 32 OK 29 85 - 35 - 3.0/2840=4, 2.9/2864=4...(15) HB VAL 41 - H LYS 32 OK 25 99 - 25 - 3821/4.6=6, 1526/3.6=4...(9) HG13 ILE 68 - H LYS 32 OK 19 96 - 20 - 5817=3, 5.0/940=3...(8) HB2 GLU 19 - H LYS 32 lone 2 68 - 3 - HB3 GLU 87 - H LYS 32 lone 2 63 - 2 - Peak 92 from nnoeabs.peaks (2.07, 7.94, 118.73 ppm; 5.07 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 31 + H LYS 32 OK 100 100 - 100 - 4.7=100 HB3 PRO 44 - H LYS 32 OK 14 83 - 17 - 1533/4.7=3, 1527/3.6=3...(6) HB VAL 76 - H LYS 32 OK 14 68 - 21 - 3.0/561=3, 1537/3.6=2...(8) HB2 GLU 50 - H LYS 32 OK 11 57 - 20 - 3.9/89=4, 1527/3.6=3...(7) HB3 GLU 50 - H LYS 32 OK 11 57 - 20 - 3.9/89=4, 1527/3.6=3...(7) HG2 PRO 44 - H LYS 32 OK 11 76 - 14 - 1533/4.7=2, 1551/4.9=2...(5) HB3 GLU 25 - H LYS 32 poor 10 90 - 11 - 1527/3.6=2, 557/4.6=1...(5) HB2 GLU 25 - H LYS 32 poor 9 89 - 11 - 1527/3.6=1, 557/4.6=1...(5) HB3 GLU 59 - H LYS 32 poor 9 81 - 11 - 3.0/6099=2, 1527/3.6=2 HB2 GLU 59 - H LYS 32 poor 9 81 - 11 - 3.0/6099=2, 1527/3.6=2 HB VAL 45 - H LYS 32 lone 7 100 - 7 - 1551/4.9=1, 1533/4.7=1 HB2 PRO 56 - H LYS 32 lone 4 87 - 5 - HG2 PRO 36 - H LYS 32 lone 4 76 - 5 - HG3 PRO 56 - H LYS 32 lone 4 83 - 4 - HG3 PRO 36 - H LYS 32 lone 3 71 - 5 - HB3 GLN 91 - H LYS 32 lone 2 57 - 3 - Peak 96 from nnoeabs.peaks (3.98, 7.91, 120.59 ppm; 3.23 A): 4 out of 10 assignments used, quality = 0.91: * HA LYS 32 + H ILE 33 OK 82 100 - 82 - 3.6=74, 3.9/3779=12...(9) HA ALA 28 + H ILE 33 OK 34 85 - 40 - 2.1/5303=22, 4174/4.8=5...(9) HA GLN 61 + H ILE 33 OK 16 96 - 16 - 4503/4.8=5, 3.0/5544=3...(6) HA ARG 66 + H ILE 33 OK 10 100 - 10 - 3924/4.6=2, 3.0/5181=1 HA GLU 50 - H ILE 33 lone 6 95 - 6 - 4503/4.8=1 HA VAL 76 - H ILE 33 lone 5 98 - 5 - HA ARG 70 - H ILE 33 lone 4 71 - 6 - 2840/4.6=1 HA2 GLY 72 - H ILE 33 lone 3 93 - 3 - HA2 GLY 21 - H ILE 33 lone 3 71 - 4 - HA3 GLY 21 - H ILE 33 lone 2 68 - 4 - Peak 97 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.11 A): 3 out of 20 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 78 100 - 79 - 3.9=49, 2.1/573=21...(13) * HB2 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) HB3 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) HG2 PRO 34 - H ILE 33 OK 42 93 - 45 - ~4216=8, ~4217=7...(15) HB2 PRO 34 - H ILE 33 OK 37 99 - 37 - ~4216=6, ~4217=5...(14) HB2 LEU 57 - H ILE 33 OK 35 99 - 35 - 3.1/576=7, 2440/4.8=5...(12) HB2 ARG 54 - H ILE 33 OK 16 99 - 17 - 3.0/99=4, 4568/3.0=2...(5) HB3 LYS 73 - H ILE 33 lone 6 100 - 6 - 3.0/5188=2 HB2 LYS 13 - H ILE 33 lone 5 90 - 5 - 3.0/574=1 HB3 LYS 39 - H ILE 33 lone 4 98 - 4 - HB2 LEU 62 - H ILE 33 lone 4 65 - 5 - HB3 ARG 82 - H ILE 33 lone 3 99 - 3 - HB2 ARG 69 - H ILE 33 lone 3 60 - 5 - 3.0/1672=1 HG3 ARG 71 - H ILE 33 lone 2 78 - 3 - HB3 LYS 75 - H ILE 33 lone 2 93 - 2 - HG3 ARG 26 - H ILE 33 lone 2 71 - 3 - HB2 LYS 83 - H ILE 33 lone 1 99 - 1 - HB3 ARG 84 - H ILE 33 lone 1 60 - 2 - HB2 LYS 85 - H ILE 33 lone 1 60 - 1 - HB3 ARG 17 - H ILE 33 lone 1 57 - 1 - Peak 98 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.11 A): 3 out of 20 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 78 100 - 79 - 3.9=49, 2.1/573=21...(13) HB2 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) * HB3 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) HG2 PRO 34 - H ILE 33 OK 42 93 - 45 - ~4216=8, ~4217=7...(15) HB2 PRO 34 - H ILE 33 OK 37 99 - 37 - ~4216=6, ~4217=5...(14) HB2 LEU 57 - H ILE 33 OK 35 99 - 35 - 3.1/576=7, 2440/4.8=5...(12) HB2 ARG 54 - H ILE 33 OK 16 99 - 17 - 3.0/99=4, 4568/3.0=2...(5) HB3 LYS 73 - H ILE 33 lone 6 100 - 6 - 3.0/5188=2 HB2 LYS 13 - H ILE 33 lone 5 90 - 5 - 3.0/574=1 HB3 LYS 39 - H ILE 33 lone 4 98 - 4 - HB2 LEU 62 - H ILE 33 lone 4 65 - 5 - HB3 ARG 82 - H ILE 33 lone 3 99 - 3 - HB2 ARG 69 - H ILE 33 lone 3 60 - 5 - 3.0/1672=1 HG3 ARG 71 - H ILE 33 lone 2 78 - 3 - HB3 LYS 75 - H ILE 33 lone 2 93 - 2 - HG3 ARG 26 - H ILE 33 lone 2 71 - 3 - HB2 LYS 83 - H ILE 33 lone 1 99 - 1 - HB3 ARG 84 - H ILE 33 lone 1 60 - 2 - HB2 LYS 85 - H ILE 33 lone 1 60 - 1 - HB3 ARG 17 - H ILE 33 lone 1 57 - 1 - Peak 99 from nnoeabs.peaks (1.28, 7.91, 120.59 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.82: * HG2 LYS 32 + H ILE 33 OK 77 100 - 77 - 3779=42, 3.9/3776=31...(9) HG2 ARG 54 + H ILE 33 OK 24 76 - 32 - 1558/3.6=6, 564/4.6=4...(13) QG2 THR 58 - H ILE 33 lone 4 60 - 7 - 564/4.6=3, 1558/3.6=2 Peak 100 from nnoeabs.peaks (1.33, 7.91, 120.59 ppm; 4.07 A): 3 out of 7 assignments used, quality = 0.96: QB ALA 28 + H ILE 33 OK 77 97 - 79 - 5303=44, 4179/4.1=22...(12) * HG3 LYS 32 + H ILE 33 OK 67 100 - 67 - 1.8/3779=31, 3.9/3776=29...(9) HB2 LEU 51 + H ILE 33 OK 42 99 - 42 - 3.0/571=6, 2217/3.0=6...(14) HB2 LEU 52 - H ILE 33 OK 36 99 - 36 - 4219/3.9=6, 5195/4.1=5...(13) HG2 ARG 54 - H ILE 33 OK 23 78 - 29 - 4570/3.0=3, 4.8/5544=3...(16) QG2 THR 58 - H ILE 33 OK 11 90 - 12 - 565/4.6=3, 5196/4.8=2...(4) QB ALA 12 - H ILE 33 lone 3 100 - 3 - Peak 105 from nnoeabs.peaks (4.32, 6.31, 116.43 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 34 + H PHE 35 OK 100 100 - 100 - 3.6=100 HA LEU 86 - H PHE 35 lone 7 93 - 8 - 1714/4.0=2, 1707/4.0=2 HA GLU 87 - H PHE 35 lone 7 100 - 7 - 1714/4.0=1, 1707/4.0=1 HA ALA 16 - H PHE 35 lone 6 99 - 6 - 1714/4.0=1, 1707/4.0=1 Peak 106 from nnoeabs.peaks (1.78, 6.31, 116.43 ppm; 4.25 A): 3 out of 17 assignments used, quality = 1.00: * HB2 PRO 34 + H PHE 35 OK 100 100 - 100 - 4.0=100 HB ILE 33 + H PHE 35 OK 84 97 - 87 - 2.1/4248=47, 5547=23...(16) HG2 PRO 34 + H PHE 35 OK 66 83 - 80 - 2.3/110=27, 1.8/5564=23...(16) HB2 LEU 57 - H PHE 35 OK 26 95 - 27 - 3.1/5576=11, 2440/5351=4...(8) HB2 ARG 54 - H PHE 35 OK 18 93 - 19 - 5707/4.5=9, 5561=2...(4) HB2 LYS 32 - H PHE 35 OK 16 99 - 16 - 1707/3.6=3, 5561=2...(5) HB3 LYS 32 - H PHE 35 OK 16 99 - 16 - 1707/3.6=3, 5561=2...(5) HB3 LYS 39 - H PHE 35 OK 12 100 - 12 - 1.8/5594=4, 1701/3.6=2...(4) HB3 ARG 82 - H PHE 35 lone 5 93 - 6 - 1707/3.6=1, 5561=1 HB2 ARG 69 - H PHE 35 lone 5 76 - 7 - 5978/6.5=2, 5978/8.2=1 HG3 ARG 71 - H PHE 35 lone 4 63 - 7 - 2.8/5594=1, 2.8/5594=1 HB2 LYS 13 - H PHE 35 lone 3 97 - 3 - HB3 LYS 73 - H PHE 35 lone 3 100 - 3 - HB3 LYS 75 - H PHE 35 lone 2 99 - 2 - HB3 ARG 84 - H PHE 35 lone 2 76 - 2 - HB2 LYS 83 - H PHE 35 lone 2 100 - 2 - HB2 LYS 85 - H PHE 35 lone 1 76 - 1 - Peak 108 from nnoeabs.peaks (1.76, 6.31, 116.43 ppm; 4.14 A): 3 out of 16 assignments used, quality = 0.99: HB ILE 33 + H PHE 35 OK 84 98 - 86 - 2.1/4248=46, 5547=21...(16) HB2 PRO 34 + H PHE 35 OK 83 83 - 100 - 4.0=100 * HG2 PRO 34 + H PHE 35 OK 81 100 - 81 - 2.3/110=26, 1.8/5564=21...(16) HB2 LEU 57 - H PHE 35 OK 27 99 - 27 - 3.1/5576=10, 2440/5351=4...(8) HB2 ARG 54 - H PHE 35 OK 19 99 - 19 - 5707/4.5=9, 1703/3.6=2...(5) HB2 LYS 32 - H PHE 35 OK 13 93 - 14 - 1703/3.6=2, 1.8/5561=2...(4) HB3 LYS 32 - H PHE 35 OK 13 93 - 14 - 1703/3.6=2, 1.8/5561=2...(4) HB3 LYS 39 - H PHE 35 poor 9 76 - 11 - 1.8/5594=3, 4561/4.5=2 HG3 ARG 71 - H PHE 35 lone 8 99 - 8 - 1703/3.6=1, 2.8/5594=1...(4) HG3 ARG 26 - H PHE 35 lone 7 97 - 7 - 3.0/5594=1, 1703/3.6=1...(4) HB2 LEU 62 - H PHE 35 lone 5 95 - 5 - HB3 ARG 82 - H PHE 35 lone 5 99 - 5 - HB3 LYS 73 - H PHE 35 lone 2 87 - 3 - HB3 ARG 17 - H PHE 35 lone 2 90 - 2 - HB3 LYS 75 - H PHE 35 lone 1 63 - 2 - HB2 LYS 83 - H PHE 35 lone 1 78 - 1 - Peak 109 from nnoeabs.peaks (1.04, 6.31, 116.43 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.95: * HG3 PRO 34 + H PHE 35 OK 87 100 - 87 - 2.3/110=29, 5564=27...(18) QD1 ILE 40 + H PHE 35 OK 65 95 - 69 - 4318/4.5=23...(15) Peak 110 from nnoeabs.peaks (2.72, 6.31, 116.43 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.93: * HD2 PRO 34 + H PHE 35 OK 92 100 - 92 - 4.1/4248=33, 5553=25...(17) HB2 ASN 80 + H PHE 35 OK 16 83 - 19 - 1705/3.6=5, 5568/4.0=3...(7) HB2 ASP 46 - H PHE 35 poor 8 73 - 10 - 1705/3.6=2, 1719/4.0=1 Peak 111 from nnoeabs.peaks (3.54, 6.31, 116.43 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.98: * HD3 PRO 34 + H PHE 35 OK 94 100 - 94 - 4.1/4248=36, 1.8/110=33...(17) HD3 PRO 36 + H PHE 35 OK 68 68 - 99 - 4.8=90, ~4263=30...(23) Peak 112 from nnoeabs.peaks (4.61, 8.81, 115.67 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.72: * HA PRO 36 + H THR 37 OK 72 100 - 72 - 3.6=63, 4290/4.6=8...(7) HA ASN 74 - H THR 37 lone 5 98 - 5 - 1780/4.0=1, 4290/4.6=1 HA ASN 80 - H THR 37 lone 2 90 - 2 - Peak 113 from nnoeabs.peaks (2.12, 8.81, 115.67 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PRO 36 + H THR 37 OK 100 100 - 100 - 4.0=100 HB ILE 40 + H THR 37 OK 59 100 - 59 - 3.2/5587=17, 4309/3.0=12...(13) HG3 PRO 36 - H THR 37 OK 29 60 - 49 - 3.8/112=28, 1.8/3798=7...(9) HG3 PRO 44 - H THR 37 OK 25 90 - 27 - 2087/4.0=8, 1774/3.6=8...(5) Peak 114 from nnoeabs.peaks (2.45, 8.81, 115.67 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 36 + H THR 37 OK 100 100 - 100 - 4.0=100 HB2 PRO 44 - H THR 37 OK 22 60 - 37 - 1775/3.6=9, 1782/4.0=9...(8) HG2 MET 11 - H THR 37 lone 9 100 - 9 - 1775/3.6=3, 1782/4.0=3 Peak 115 from nnoeabs.peaks (2.09, 8.81, 115.67 ppm; 4.20 A): 7 out of 9 assignments used, quality = 0.93: HG3 PRO 36 + H THR 37 OK 57 100 - 57 - 3.8/112=30, 3798=9...(9) * HG2 PRO 36 + H THR 37 OK 57 100 - 57 - 3.8/112=30, 3798=9...(9) HB3 PRO 44 + H THR 37 OK 38 100 - 38 - 2073/4.0=9, 2076/4.0=9...(9) HB3 GLU 59 + H THR 37 OK 12 100 - 12 - 3.0/4645=7, 4274/4.0=1 HB2 GLU 59 + H THR 37 OK 12 100 - 12 - 3.0/4645=7, 4274/4.0=1 HG3 PRO 56 + H THR 37 OK 12 100 - 12 - 1776/3.6=2, 1783/4.0=2...(5) HB2 PRO 56 + H THR 37 OK 11 100 - 11 - 1783/4.0=2, 1776/3.6=2...(5) HB3 MET 31 - H THR 37 lone 5 76 - 7 - HB VAL 45 - H THR 37 lone 2 63 - 3 - Peak 116 from nnoeabs.peaks (2.10, 8.81, 115.67 ppm; 4.20 A): 4 out of 10 assignments used, quality = 0.95: HB2 PRO 36 + H THR 37 OK 60 60 - 100 - 4.0=100 * HG3 PRO 36 + H THR 37 OK 57 100 - 57 - 3.8/112=30, 3798=9...(9) HG2 PRO 36 + H THR 37 OK 57 100 - 57 - 3.8/112=30, 3798=9...(9) HB3 PRO 44 + H THR 37 OK 38 100 - 38 - 2073/4.0=9, 2076/4.0=9...(9) HB ILE 40 - H THR 37 OK 36 63 - 58 - 3.2/5587=19, ~4279=9...(13) HB2 GLU 59 - H THR 37 OK 12 100 - 12 - 3.0/4645=7, 4274/4.0=1 HB3 GLU 59 - H THR 37 OK 12 100 - 12 - 3.0/4645=7, 4274/4.0=1 HG3 PRO 56 - H THR 37 OK 12 100 - 12 - 1776/3.6=2, 1783/4.0=2...(5) HB2 PRO 56 - H THR 37 OK 11 99 - 11 - 1783/4.0=2, 1776/3.6=2...(5) HB3 MET 31 - H THR 37 lone 5 71 - 7 - Peak 119 from nnoeabs.peaks (8.81, 8.70, 119.49 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.87: * H THR 37 + H ASP 38 OK 81 100 - 81 - 4.6=47, 3.8/3800=19...(7) H LEU 62 + H ASP 38 OK 31 98 - 31 - 1808/3.6=8, 1816/4.1=5...(12) Peak 120 from nnoeabs.peaks (3.94, 8.70, 119.49 ppm; 4.16 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 37 + H ASP 38 OK 100 100 - 100 - 3.6=100 HA LEU 62 - H ASP 38 OK 32 96 - 34 - 3.0/119=10, 2564/4.6=8...(7) HA GLN 61 - H ASP 38 OK 11 60 - 18 - 3.6/119=9, 3901/4.6=3...(5) HA ALA 28 - H ASP 38 poor 10 78 - 13 - 1817/4.1=4, 1813/4.4=3...(5) HA3 GLY 18 - H ASP 38 lone 6 99 - 6 - 5605/4.6=1 HA2 GLY 18 - H ASP 38 lone 6 99 - 6 - 5605/4.6=1 HA3 GLY 21 - H ASP 38 lone 5 92 - 5 - HA2 GLY 21 - H ASP 38 lone 4 90 - 5 - HA2 GLY 72 - H ASP 38 lone 3 65 - 5 - HA GLU 50 - H ASP 38 lone 3 63 - 4 - Peak 121 from nnoeabs.peaks (4.22, 8.70, 119.49 ppm; 3.68 A): 2 out of 9 assignments used, quality = 0.79: * HB THR 37 + H ASP 38 OK 70 100 - 70 - 4.4=58, 3.8/912=22, 4884/6126=1 HA LYS 39 + H ASP 38 OK 30 65 - 46 - 3.0/123=27, 3.6/4888=13...(6) HA THR 15 - H ASP 38 lone 5 76 - 7 - 1818/4.1=2, 1810/3.6=2 HA LYS 75 - H ASP 38 lone 3 81 - 4 - HA ALA 77 - H ASP 38 lone 3 97 - 3 - HA LYS 85 - H ASP 38 lone 2 99 - 2 - HA LYS 83 - H ASP 38 lone 2 83 - 2 - HA ALA 78 - H ASP 38 lone 1 89 - 2 - HA GLN 79 - H ASP 38 lone 1 68 - 1 - Peak 122 from nnoeabs.peaks (1.17, 8.70, 119.49 ppm; 4.42 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 37 + H ASP 38 OK 100 100 - 100 - 4.1=100 HG LEU 52 - H ASP 38 poor 8 73 - 11 - 1811/3.6=4, 1815/4.4=2 QG2 THR 15 - H ASP 38 lone 7 83 - 8 - 1811/3.6=2, 1815/4.4=2...(4) HG12 ILE 89 - H ASP 38 lone 4 60 - 6 - 1811/3.6=1, 1815/4.4=1, ~4891=1 QG2 THR 88 - H ASP 38 lone 3 71 - 4 - Peak 123 from nnoeabs.peaks (8.70, 7.39, 117.25 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.83: * H ASP 38 + H LYS 39 OK 83 100 - 83 - 4.6=58, 3.6/5603=11...(15) Peak 124 from nnoeabs.peaks (4.28, 7.39, 117.25 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 38 + H LYS 39 OK 100 100 - 100 - 3.6=100 HA LYS 39 + H LYS 39 OK 60 60 - 100 - 3.0=100 HA LEU 64 - H LYS 39 OK 31 85 - 36 - 2612=4, 4.3/595=4...(17) HA LEU 86 - H LYS 39 lone 5 76 - 7 - 3.0/595=1 HA ARG 17 - H LYS 39 lone 5 100 - 4 - HA ALA 20 - H LYS 39 lone 4 87 - 4 - HA SER 60 - H LYS 39 lone 3 100 - 3 - HA GLU 19 - H LYS 39 lone 3 78 - 3 - HA ALA 12 - H LYS 39 lone 2 81 - 2 - HA THR 88 - H LYS 39 lone 1 100 - 1 - Peak 125 from nnoeabs.peaks (2.62, 7.39, 117.25 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.97: * HB2 ASP 38 + H LYS 39 OK 84 100 - 84 - 4.7=70, 4.0/123=26...(9) HB3 ASP 38 + H LYS 39 OK 84 100 - 84 - 4.7=70, 4.0/123=26...(9) HG2 MET 31 - H LYS 39 lone 7 100 - 7 - 1823/3.6=2 HG2 GLN 61 - H LYS 39 lone 6 83 - 8 - 3904/5589=1, 5936/4867=1 Peak 126 from nnoeabs.peaks (2.62, 7.39, 117.25 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.97: HB2 ASP 38 + H LYS 39 OK 84 100 - 84 - 4.7=70, 4.0/123=26...(9) * HB3 ASP 38 + H LYS 39 OK 84 100 - 84 - 4.7=70, 4.0/123=26...(9) HG2 MET 31 - H LYS 39 lone 7 100 - 7 - 1823/3.6=2 HG2 GLN 61 - H LYS 39 lone 6 81 - 7 - 3904/5589=1, 5936/4867=1 Peak 127 from nnoeabs.peaks (7.39, 7.24, 115.36 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.77: * H LYS 39 + H ILE 40 OK 73 100 - 73 - 4.6=47, 3.6/5592=10...(12) H LEU 64 + H ILE 40 OK 14 65 - 21 - 1832/3.6=5, 1842/4.4=3...(5) Peak 128 from nnoeabs.peaks (4.25, 7.24, 115.36 ppm; 4.02 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 39 + H ILE 40 OK 100 100 - 100 - 3.6=100 HB THR 37 - H ILE 40 OK 34 65 - 52 - 3.0/4266=21, 4.4/4888=13...(9) HA ASP 38 - H ILE 40 OK 32 60 - 54 - 3.6/127=25, 3.0/4888=17...(9) HA LYS 75 - H ILE 40 OK 28 99 - 28 - 3.0/129=5, 3068/4.4=5...(10) HA LEU 64 - H ILE 40 OK 26 97 - 27 - 3.0/127=5, 2612/4.6=3...(10) HA LYS 83 - H ILE 40 lone 7 99 - 7 - HA GLU 19 - H ILE 40 lone 6 99 - 6 - HA THR 15 - H ILE 40 lone 6 100 - 6 - 4.9/605=1 HA LYS 85 - H ILE 40 lone 6 81 - 7 - HA ALA 20 - H ILE 40 lone 5 97 - 5 - HA ALA 77 - H ILE 40 lone 4 89 - 4 - HA ALA 12 - H ILE 40 lone 2 99 - 2 - HA ARG 17 - H ILE 40 lone 2 63 - 3 - HA SER 60 - H ILE 40 lone 1 63 - 2 - Peak 129 from nnoeabs.peaks (1.85, 7.24, 115.36 ppm; 3.74 A): 3 out of 14 assignments used, quality = 0.88: * HB2 LYS 39 + H ILE 40 OK 78 100 - 78 - 4.4=62, 4.0/127=19...(12) HB3 PRO 34 + H ILE 40 OK 26 85 - 31 - 2.3/607=12, ~1928=5...(9) HB2 LYS 75 + H ILE 40 OK 25 96 - 26 - 1834/3.6=6, 1842/4.6=4...(8) HB3 ARG 23 - H ILE 40 lone 5 99 - 5 - 1834/3.6=2, 593/4.6=1 HB2 ARG 23 - H ILE 40 lone 5 99 - 5 - 1834/3.6=2, 593/4.6=1 HB3 ARG 71 - H ILE 40 lone 4 100 - 4 - HB2 ARG 71 - H ILE 40 lone 4 100 - 4 - HB2 ARG 66 - H ILE 40 lone 3 81 - 3 - HB2 ARG 17 - H ILE 40 lone 2 92 - 3 - HB3 ARG 27 - H ILE 40 lone 2 100 - 2 - HB2 ARG 27 - H ILE 40 lone 2 100 - 2 - HB2 ARG 26 - H ILE 40 lone 2 71 - 2 - HB3 ARG 26 - H ILE 40 lone 2 68 - 2 - HB2 MET 11 - H ILE 40 lone 1 57 - 2 - Peak 130 from nnoeabs.peaks (1.78, 7.24, 115.36 ppm; 4.16 A): 2 out of 16 assignments used, quality = 0.96: * HB3 LYS 39 + H ILE 40 OK 94 100 - 94 - 4.4=86, 4.0/127=23...(12) HB2 ARG 69 + H ILE 40 OK 41 83 - 50 - 4303/4.0=7, 3.0/602=7...(14) HB2 PRO 34 - H ILE 40 OK 40 100 - 40 - 2.3/607=14, 1.8/129=7...(10) HB2 ARG 54 - H ILE 40 OK 36 89 - 40 - 1.8/5306=7, 3.0/5949=7...(13) HG2 PRO 34 - H ILE 40 OK 32 76 - 43 - 1.8/607=16, ~1928=8...(9) HB3 LYS 75 - H ILE 40 OK 31 100 - 31 - 1.8/129=7, 1835/3.6=5...(11) HB ILE 33 - H ILE 40 OK 21 93 - 22 - 1656/4.6=4, 3.0/606=3...(8) HB2 LYS 13 - H ILE 40 OK 20 99 - 20 - ~4819=2, 4.8/602=2...(10) HB3 LYS 73 - H ILE 40 OK 12 100 - 12 - 1835/3.6=2, 1852/4.6=2, 3807=1 HB2 LEU 57 - H ILE 40 OK 10 90 - 11 - 4981/4266=2, 4598/4.0=1 HB2 LYS 85 - H ILE 40 lone 7 83 - 9 - HB3 LYS 32 - H ILE 40 lone 7 98 - 7 - 1835/3.6=1 HB2 LYS 32 - H ILE 40 lone 7 98 - 7 - 1835/3.6=1 HB2 LYS 83 - H ILE 40 lone 7 100 - 6 - HB3 ARG 84 - H ILE 40 lone 3 83 - 4 - HB3 ARG 82 - H ILE 40 lone 3 89 - 4 - Peak 137 from nnoeabs.peaks (7.24, 7.63, 114.41 ppm; 3.60 A): 3 out of 4 assignments used, quality = 0.87: * H ILE 40 + H VAL 41 OK 83 100 - 83 - 4.7=46, 4.6/5632=12...(15) H ALA 53 + H VAL 41 OK 14 76 - 18 - 4.6/5631=3, 1922/3.6=3...(6) H ASP 47 + H VAL 41 OK 12 71 - 17 - 4330/4.0=3, 5633/4.6=3...(5) HE ARG 54 - H VAL 41 poor 10 78 - 13 - 1922/3.6=2, 1929/4.5=2...(6) Peak 138 from nnoeabs.peaks (3.63, 7.63, 114.41 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 40 + H VAL 41 OK 100 100 - 100 - 3.6=100 HA ARG 69 + H VAL 41 OK 45 100 - 46 - 5130/4.0=8, 4767/4.0=7...(11) HA VAL 65 - H VAL 41 OK 44 100 - 44 - 1937/4.4=7, 1930/4.5=6...(12) HD3 PRO 14 - H VAL 41 OK 14 90 - 15 - 1937/4.4=3, 1930/4.5=2...(5) Peak 139 from nnoeabs.peaks (2.12, 7.63, 114.41 ppm; 3.58 A): 4 out of 4 assignments used, quality = 0.92: * HB ILE 40 + H VAL 41 OK 81 100 - 81 - 4.5=51, 3.9/137=15...(17) HB2 PRO 36 + H VAL 41 OK 38 100 - 38 - 3.0/609=7, 4867/5632=6...(12) HG3 PRO 36 + H VAL 41 OK 19 63 - 30 - 2.3/609=9, ~1786=3...(13) HG3 PRO 44 + H VAL 41 OK 14 89 - 16 - 1924/3.6=4, 1938/4.4=3...(4) Peak 140 from nnoeabs.peaks (0.93, 7.63, 114.41 ppm; 3.03 A): 3 out of 8 assignments used, quality = 0.95: * QG2 ILE 40 + H VAL 41 OK 70 100 - 70 - 4.4=33, 2.1/139=13...(13) QG2 VAL 41 + H VAL 41 OK 69 100 - 69 - 4.0=42, 2.1/1969=14...(7) HG12 ILE 68 + H VAL 41 OK 43 98 - 44 - 1.8/610=8, 2.1/611=6...(13) QD2 LEU 43 - H VAL 41 OK 17 92 - 19 - 4.8/5631=5, 4388/3.6=4...(6) QD2 LEU 62 - H VAL 41 OK 10 100 - 10 - 1925/3.6=1 QD1 LEU 64 - H VAL 41 poor 8 71 - 11 - 3.9/4332=2, 6102/3.9=1...(4) QG2 VAL 76 - H VAL 41 lone 7 98 - 7 - QG1 VAL 76 - H VAL 41 lone 7 98 - 7 - Peak 141 from nnoeabs.peaks (1.90, 7.63, 114.41 ppm; 3.28 A): 4 out of 12 assignments used, quality = 0.93: * HG12 ILE 40 + H VAL 41 OK 57 100 - 57 - 2.9/139=13, 2.1/143=11...(13) HB VAL 41 + H VAL 41 OK 55 71 - 78 - 3.9=60, 2.1/1979=17...(8) HB ILE 68 + H VAL 41 OK 43 99 - 44 - 2.1/611=8, 3.2/611=6...(13) HG13 ILE 68 + H VAL 41 OK 37 85 - 44 - 2.1/611=8, 1.8/140=7...(13) HB3 PRO 14 - H VAL 41 lone 8 87 - 9 - 1113/3.6=2, 3.0/138=1...(4) HB2 GLU 19 - H VAL 41 lone 4 100 - 4 - HB3 GLU 87 - H VAL 41 lone 2 100 - 2 - HB2 MET 11 - H VAL 41 lone 2 83 - 2 - HB2 ARG 66 - H VAL 41 lone 2 60 - 3 - HB2 GLN 91 - H VAL 41 lone 1 99 - 1 - HB3 ARG 26 - H VAL 41 lone 1 73 - 1 - HB2 ARG 26 - H VAL 41 lone 1 71 - 1 - Peak 142 from nnoeabs.peaks (1.23, 7.63, 114.41 ppm; 4.82 A): 3 out of 5 assignments used, quality = 0.98: * HG13 ILE 40 + H VAL 41 OK 87 100 - 87 - 2.1/143=26, 2.9/139=23...(18) HG2 ARG 69 + H VAL 41 OK 65 98 - 67 - ~5253=18, 5254/3.0=17...(13) QG1 VAL 65 + H VAL 41 OK 58 100 - 58 - 2665/3.6=11, 5034/4.4=10...(14) QG2 VAL 65 - H VAL 41 OK 42 85 - 49 - 2670/3.6=9, 3.2/138=8...(14) HG13 ILE 33 - H VAL 41 OK 21 96 - 22 - 1934/4.5=4, 1941/4.4=4...(6) Peak 143 from nnoeabs.peaks (1.03, 7.63, 114.41 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 40 + H VAL 41 OK 88 100 - 88 - 1942/4.4=25, 3.2/139=22...(21) HG3 PRO 34 + H VAL 41 OK 43 95 - 46 - 1928/3.6=13, 1935/4.5=12...(7) Peak 144 from nnoeabs.peaks (7.63, 7.72, 113.33 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.88: * H VAL 41 + H ASN 42 OK 67 100 - 67 - 4.6=35, 3.9/3821=10...(12) HD21 ASN 42 + H ASN 42 OK 63 100 - 64 - 5.7=18, 1.7/5088=15...(11) HD21 ASN 74 - H ASN 42 lone 9 92 - 9 - 1979/4.1=1, 1974/4.1=1...(5) Peak 145 from nnoeabs.peaks (3.58, 7.72, 113.33 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + H ASN 42 OK 100 100 - 100 - 3.6=100 HD3 PRO 36 - H ASN 42 OK 25 96 - 26 - 1975/4.1=7, 1980/4.1=7...(4) Peak 146 from nnoeabs.peaks (1.93, 7.72, 113.33 ppm; 3.47 A): 4 out of 10 assignments used, quality = 0.89: * HB VAL 41 + H ASN 42 OK 74 100 - 74 - 4.4=47, 2.1/147=16...(10) HG13 ILE 68 + H ASN 42 OK 34 99 - 35 - 2.1/147=6, 1966/3.6=6...(9) HB2 MET 31 + H ASN 42 OK 22 99 - 22 - 1530=5, 3.0/1542=2...(10) HG12 ILE 40 + H ASN 42 OK 19 71 - 27 - 4.6/5633=6, 3.2/148=5...(8) HG LEU 57 - H ASN 42 lone 5 71 - 7 - ~4990=1 HB3 ARG 66 - H ASN 42 lone 5 96 - 5 - HB2 GLU 19 - H ASN 42 lone 4 83 - 4 - 3.0/4354=1 HB3 ARG 70 - H ASN 42 lone 2 71 - 3 - HB2 ARG 70 - H ASN 42 lone 2 71 - 3 - HB3 GLU 87 - H ASN 42 lone 2 78 - 2 - Peak 147 from nnoeabs.peaks (0.80, 7.72, 113.33 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.95: * QG1 VAL 41 + H ASN 42 OK 93 100 - 93 - 4.1=78, 4340/3.0=21...(10) QG2 ILE 68 + H ASN 42 OK 39 95 - 41 - 1967/3.6=7, 1982/4.1=7...(11) QD1 ILE 68 - H ASN 42 OK 34 92 - 38 - 2.1/146=8, 1967/3.6=7...(9) QD1 ILE 89 - H ASN 42 lone 8 92 - 8 - 1982/4.1=1 Peak 148 from nnoeabs.peaks (0.94, 7.72, 113.33 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.96: * QG2 VAL 41 + H ASN 42 OK 92 100 - 92 - 4.1=78, 2.1/3821=20...(12) QG2 ILE 40 + H ASN 42 OK 51 100 - 51 - 4.4/916=14, 5210/3.6=10...(11) HG12 ILE 68 - H ASN 42 OK 38 93 - 41 - 1.8/146=8, 2.1/147=7...(11) QD2 LEU 43 - H ASN 42 OK 31 97 - 31 - 4.8/149=12, 3.1/5635=7...(8) QD1 LEU 64 - H ASN 42 OK 16 83 - 19 - 3.9/4354=4, 625/4.6=3...(6) QD2 LEU 62 - H ASN 42 OK 13 100 - 13 - 3.1/5635=2, 625/4.6=1 QG2 VAL 76 - H ASN 42 lone 7 93 - 7 - 1968/3.6=1, 1978/4.1=1 QG1 VAL 76 - H ASN 42 lone 7 93 - 7 - 1968/3.6=1, 1978/4.1=1 Peak 149 from nnoeabs.peaks (7.72, 7.52, 120.92 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.79: * H ASN 42 + H LEU 43 OK 68 100 - 69 - 4.6=38, 3.0/3824=22...(10) H GLU 50 + H LEU 43 OK 23 98 - 23 - 923=9, 3.6/4495=2...(6) H MET 31 + H LEU 43 OK 12 97 - 12 - 88/3.9=2, 4192/4.8=2, 3.6/622=1 H TYR 55 - H LEU 43 poor 7 63 - 11 - 210=3, 3.6/2299=2...(5) Peak 150 from nnoeabs.peaks (4.68, 7.52, 120.92 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 42 + H LEU 43 OK 100 100 - 100 - 3.6=100 HA PRO 56 - H LEU 43 lone 5 99 - 5 - 614/4.6=2 Peak 151 from nnoeabs.peaks (2.76, 7.52, 120.92 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.98: * HB2 ASN 42 + H LEU 43 OK 86 100 - 86 - 4.4=75, 3.0/3824=29...(5) HB3 ASN 42 + H LEU 43 OK 86 100 - 86 - 4.4=75, 3.0/3824=29...(5) HB3 ASN 80 - H LEU 43 lone 5 100 - 5 - HB3 ASN 74 - H LEU 43 lone 2 73 - 3 - Peak 152 from nnoeabs.peaks (2.76, 7.52, 120.92 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.98: * HB3 ASN 42 + H LEU 43 OK 86 100 - 86 - 4.4=75, 3.0/3824=29...(5) HB2 ASN 42 + H LEU 43 OK 86 100 - 86 - 4.4=75, 3.0/3824=29...(5) HB3 ASN 80 - H LEU 43 lone 5 100 - 5 - HB3 ASN 74 - H LEU 43 lone 2 78 - 3 - Peak 155 from nnoeabs.peaks (4.57, 8.62, 122.56 ppm; 3.28 A): 1 out of 2 assignments used, quality = 0.91: * HA PRO 44 + H VAL 45 OK 91 100 - 91 - 3.6=78, 2.3/156=18...(12) HA LYS 13 - H VAL 45 lone 3 65 - 5 - 2072/4.2=2, 2065/4.2=1 Peak 156 from nnoeabs.peaks (2.48, 8.62, 122.56 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + H VAL 45 OK 100 100 - 100 - 4.2=98, 2.3/155=42...(17) HB3 PRO 36 - H VAL 45 OK 18 60 - 30 - 2059/3.6=10, 2073/4.2=9...(6) Peak 157 from nnoeabs.peaks (2.09, 8.62, 122.56 ppm; 3.44 A): 2 out of 9 assignments used, quality = 0.94: * HB3 PRO 44 + H VAL 45 OK 86 100 - 86 - 4.2=56, 2.3/155=32...(17) HB VAL 45 + H VAL 45 OK 61 71 - 86 - 3.9=66, 2.1/629=30...(7) HG3 PRO 56 - H VAL 45 OK 27 100 - 27 - 2.3/627=5, 2.3/627=5...(14) HB2 PRO 56 - H VAL 45 OK 26 100 - 26 - 3.0/627=4, 3.0/627=4...(11) HG2 PRO 36 - H VAL 45 OK 12 100 - 12 - 2.3/156=4, 2060/3.6=3 HG3 PRO 36 - H VAL 45 OK 11 100 - 11 - 2.3/156=4, 2060/3.6=3 HB3 MET 31 - H VAL 45 lone 5 83 - 6 - 2072/3.6=1 HB3 GLU 59 - H VAL 45 lone 3 100 - 3 - 2060/3.6=1 HB2 GLU 59 - H VAL 45 lone 3 100 - 3 - 2060/3.6=1 Peak 162 from nnoeabs.peaks (8.62, 8.77, 119.44 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.93: * H VAL 45 + H ASP 46 OK 87 100 - 87 - 4.6=61, 629/4.2=23...(9) H ASN 49 + H ASP 46 OK 48 68 - 71 - 175=15, 4489/3.0=11...(14) Peak 163 from nnoeabs.peaks (3.69, 8.77, 119.44 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 45 + H ASP 46 OK 100 100 - 100 - 3.5=100 HD3 PRO 44 - H ASP 46 OK 43 76 - 57 - 3.0/5131=13, 3.0/5132=11...(14) HD3 PRO 56 - H ASP 46 OK 29 100 - 29 - 2109/4.2=6, 2104/4.2=5...(8) HD2 PRO 56 - H ASP 46 OK 29 100 - 29 - 2109/4.2=6, 2104/4.2=5...(8) Peak 164 from nnoeabs.peaks (2.06, 8.77, 119.44 ppm; 3.38 A): 4 out of 17 assignments used, quality = 0.92: * HB VAL 45 + H ASP 46 OK 81 100 - 81 - 4.4=44, 2.1/166=29...(10) HG2 PRO 44 + H ASP 46 OK 32 87 - 37 - 2.3/5131=9, 2.3/5132=7...(8) HB3 PRO 44 + H ASP 46 OK 29 71 - 41 - 4.2/162=10, 1.8/5132=7...(11) HB2 PRO 56 + H ASP 46 OK 11 76 - 14 - 3.0/163=3, 3.0/163=3...(6) HG3 PRO 56 - H ASP 46 poor 10 71 - 14 - 2.3/163=3, 2.3/163=3...(6) HG2 PRO 56 - H ASP 46 poor 9 63 - 14 - 2.3/163=3, 2.3/163=3...(5) HB3 MET 31 - H ASP 46 lone 9 100 - 8 - 3.0/634=1 HB3 GLU 50 - H ASP 46 poor 8 71 - 12 - 3.9/5671=5, 4.7/5678=3 HB2 GLU 50 - H ASP 46 poor 8 71 - 12 - 3.9/5671=5, 4.7/5678=3 HG2 PRO 36 - H ASP 46 lone 3 63 - 4 - HB3 GLU 25 - H ASP 46 lone 2 97 - 2 - HB2 GLU 25 - H ASP 46 lone 2 96 - 2 - HB VAL 76 - H ASP 46 lone 1 81 - 1 - HB3 GLU 59 - H ASP 46 lone 1 68 - 2 - HB2 GLU 59 - H ASP 46 lone 1 68 - 2 - HB3 GLN 91 - H ASP 46 lone 1 71 - 1 - HB3 GLU 19 - H ASP 46 lone 1 65 - 1 - Peak 165 from nnoeabs.peaks (1.07, 8.77, 119.44 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.98: * QG2 VAL 45 + H ASP 46 OK 98 100 - 98 - 4.2=88, 2.1/166=37...(11) Peak 166 from nnoeabs.peaks (0.99, 8.77, 119.44 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.79: * QG1 VAL 45 + H ASP 46 OK 74 100 - 74 - 4.2=39, 2.1/165=20...(10) QD1 LEU 57 + H ASP 46 OK 18 97 - 18 - 2097/3.5=4, 2107/4.2=3...(6) Peak 167 from nnoeabs.peaks (8.77, 7.27, 119.22 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.84: H PHE 48 + H ASP 47 OK 61 100 - 61 - 171=26, 4.3/638=8...(15) * H ASP 46 + H ASP 47 OK 60 100 - 60 - 919=25, 4.0/169=9...(14) Peak 168 from nnoeabs.peaks (4.49, 7.27, 119.22 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 46 + H ASP 47 OK 100 100 - 100 - 3.6=100 HA ASP 24 - H ASP 47 OK 42 99 - 42 - 3.0/170=9, 3.0/638=9...(10) HA ASP 67 - H ASP 47 OK 25 90 - 28 - 3838=7, 632/4.6=4...(11) Peak 169 from nnoeabs.peaks (2.70, 7.27, 119.22 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.76: * HB2 ASP 46 + H ASP 47 OK 64 100 - 64 - 4.6=40, 1.8/170=23...(4) HB3 ASN 49 + H ASP 47 OK 32 81 - 40 - 4.0/4491=10, 1.8/4429=7...(10) HB2 ASN 80 - H ASP 47 lone 2 100 - 1 - HD2 PRO 34 - H ASP 47 lone 1 73 - 2 - Peak 170 from nnoeabs.peaks (2.55, 7.27, 119.22 ppm; 3.17 A): 2 out of 4 assignments used, quality = 0.68: * HB3 ASP 46 + H ASP 47 OK 58 100 - 58 - 4.6=34, 1.8/169=21...(5) HB2 ASP 24 + H ASP 47 OK 24 99 - 24 - 3.0/168=5, 1321/3.6=5...(8) HB2 GLN 61 - H ASP 47 lone 7 81 - 9 - 3.0/6064=2 HG3 MET 31 - H ASP 47 lone 6 76 - 8 - 4.7/6130=1, 3.0/4431=1 Peak 171 from nnoeabs.peaks (7.27, 8.77, 123.38 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.78: * H ASP 47 + H PHE 48 OK 75 100 - 75 - 4.6=37, 638/4.3=11...(22) HE ARG 54 + H PHE 48 OK 14 100 - 14 - 2125/3.6=2, 4491/4.6=2...(4) H ILE 40 - H PHE 48 poor 9 71 - 13 - 4.0/4460=3, 2125/3.6=2...(6) Peak 172 from nnoeabs.peaks (4.39, 8.77, 123.38 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 47 + H PHE 48 OK 100 100 - 100 - 3.6=100 HA MET 11 - H PHE 48 poor 10 97 - 10 - 2130/4.3=3, 2134/4.3=2 Peak 173 from nnoeabs.peaks (2.67, 8.77, 123.38 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.96: * HB2 ASP 47 + H PHE 48 OK 92 100 - 92 - 4.3=79, 1.8/174=27...(13) HB3 ASN 49 + H PHE 48 OK 56 96 - 58 - 4.0/921=17, 1.8/642=12...(15) Peak 174 from nnoeabs.peaks (2.59, 8.77, 123.38 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.92: * HB3 ASP 47 + H PHE 48 OK 88 100 - 88 - 4.3=75, 1.8/173=23...(10) HB3 ASP 24 + H PHE 48 OK 24 100 - 24 - 2128/3.6=7, 638/4.6=5...(4) HG2 GLN 61 + H PHE 48 OK 14 97 - 14 - 2128/3.6=3, 638/4.6=3...(5) Peak 175 from nnoeabs.peaks (8.77, 8.65, 117.58 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.93: * H PHE 48 + H ASN 49 OK 80 100 - 80 - 4.6=41, 4.0/177=16...(16) H ASP 46 + H ASN 49 OK 66 100 - 66 - 3.0/4489=13, 3.5/4487=12...(15) Peak 176 from nnoeabs.peaks (4.03, 8.65, 117.58 ppm; 4.16 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 48 + H ASN 49 OK 100 100 - 100 - 3.6=100 HD2 PRO 44 - H ASN 49 OK 44 99 - 45 - 640/4.6=8, 2144/4.3=7...(13) HA ARG 54 - H ASN 49 OK 19 78 - 24 - 3.0/4490=5, ~4495=3...(11) HA GLU 59 - H ASN 49 lone 6 92 - 7 - 640/4.6=1, 2156/4.5=1 HB2 SER 22 - H ASN 49 lone 6 85 - 7 - 4547/4.5=1, 4525/4947=1 HA ARG 70 - H ASN 49 lone 3 63 - 5 - 4547/4.5=1 Peak 177 from nnoeabs.peaks (3.13, 8.65, 117.58 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.86: * HB2 PHE 48 + H ASN 49 OK 86 100 - 86 - 4.3=59, 2.5/180=21...(12) HD2 ARG 84 - H ASN 49 lone 4 78 - 6 - 2139/3.6=2, 641/4.6=1 HD2 ARG 71 - H ASN 49 lone 4 92 - 4 - 2139/3.6=1 HD3 ARG 84 - H ASN 49 lone 4 73 - 5 - 2139/3.6=2 HD2 ARG 82 - H ASN 49 lone 2 76 - 2 - Peak 178 from nnoeabs.peaks (2.88, 8.65, 117.58 ppm; 3.12 A): 3 out of 5 assignments used, quality = 0.94: * HB3 PHE 48 + H ASN 49 OK 76 100 - 76 - 4.3=39, 1.8/177=24...(16) HB2 ASN 49 + H ASN 49 OK 71 92 - 77 - 4.0=48, 1.8/2173=19...(14) HB2 ASP 67 + H ASN 49 OK 16 92 - 18 - 3.0/4489=5, 2163/3.0=3...(7) HB3 PHE 35 - H ASN 49 poor 9 63 - 14 - 2151/4.3=2, 2140/3.6=2...(6) HB2 PHE 35 - H ASN 49 poor 7 57 - 12 - 4549/4.5=2, 2151/4.3=2...(5) Peak 180 from nnoeabs.peaks (7.07, 8.65, 117.58 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.96: * QD PHE 48 + H ASN 49 OK 96 100 - 96 - 4.5=72, 2.5/177=32...(14) QD TYR 81 - H ASN 49 OK 27 99 - 27 - 2142/3.6=7, 2148/4.3=7...(8) Peak 181 from nnoeabs.peaks (8.65, 7.73, 120.91 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.78: * H ASN 49 + H GLU 50 OK 74 100 - 74 - 4.5=45, 2167/4.2=13...(13) H VAL 45 + H GLU 50 OK 16 68 - 23 - 4.6/5671=5, 2161/3.6=4...(8) Peak 182 from nnoeabs.peaks (4.14, 7.73, 120.91 ppm; 4.14 A): 1 out of 9 assignments used, quality = 1.00: * HA ASN 49 + H GLU 50 OK 100 100 - 100 - 3.6=100 HA ALA 53 - H GLU 50 OK 33 71 - 46 - ~4962=9, 3.0/4508=8...(12) HA ALA 30 - H GLU 50 OK 20 100 - 20 - 3769=5, 2168/4.2=3...(7) HA LEU 29 - H GLU 50 OK 13 78 - 17 - 3.0/5525=4, 3.6/909=2...(6) HA GLN 91 - H GLU 50 lone 5 100 - 5 - 2168/4.2=1 HA ARG 27 - H GLU 50 lone 4 76 - 6 - 5.0/4838=2 HA ARG 23 - H GLU 50 lone 3 96 - 3 - HB THR 88 - H GLU 50 lone 2 85 - 2 - HB THR 15 - H GLU 50 lone 1 60 - 2 - Peak 183 from nnoeabs.peaks (2.90, 7.73, 120.91 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.91: * HB2 ASN 49 + H GLU 50 OK 82 100 - 82 - 4.2=70, 4.0/181=19...(5) HB3 PHE 48 + H GLU 50 OK 39 90 - 43 - 4.3/181=18, 4.0/5671=10...(6) HB2 ASP 67 + H GLU 50 OK 17 100 - 17 - 3.0/4507=6, 2163/3.6=3...(4) HB3 PHE 35 - H GLU 50 lone 7 95 - 7 - 647/4.5=2, 2163/3.6=1 Peak 184 from nnoeabs.peaks (2.68, 7.73, 120.91 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.95: * HB3 ASN 49 + H GLU 50 OK 91 100 - 91 - 4.2=83, 1.8/183=23...(7) HB2 ASP 47 + H GLU 50 OK 50 96 - 52 - 3.0/4506=21, 4.3/5671=11...(12) HB2 ASP 46 - H GLU 50 OK 32 81 - 40 - 3.0/4507=13, 4.6/6130=10...(7) HB2 ASN 80 - H GLU 50 lone 3 71 - 4 - 3.5/923=2 Peak 187 from nnoeabs.peaks (7.73, 7.53, 121.73 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.81: * H GLU 50 + H LEU 51 OK 67 100 - 67 - 4.6=35, 4.5/4947=11...(14) H ASN 42 + H LEU 51 OK 35 98 - 36 - 917=12, 4944/3.0=3...(10) H MET 31 + H LEU 51 OK 13 83 - 16 - 2179/3.6=2, 5687/4.6=2...(5) Peak 188 from nnoeabs.peaks (3.96, 7.53, 121.73 ppm; 3.96 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 50 + H LEU 51 OK 100 100 - 100 - 3.6=100 HA GLN 61 - H LEU 51 OK 18 100 - 18 - 3851=4, 4941/4.6=3...(7) HA ALA 28 - H LEU 51 OK 13 99 - 13 - 2.1/659=2, 4182/4.6=2 HA LYS 32 - H LEU 51 OK 13 95 - 13 - 1559/3.9=3, 3.9/659=2...(5) HA VAL 76 - H LEU 51 lone 9 100 - 9 - 3.0/190=1, 3158/4.7=1...(4) HA2 GLY 21 - H LEU 51 lone 4 96 - 4 - HA3 GLY 21 - H LEU 51 lone 4 95 - 4 - HA ARG 66 - H LEU 51 lone 3 95 - 3 - HA THR 37 - H LEU 51 lone 3 63 - 4 - 4266/4943=1 HA2 GLY 72 - H LEU 51 lone 2 100 - 2 - Peak 189 from nnoeabs.peaks (2.04, 7.53, 121.73 ppm; 3.31 A): 3 out of 16 assignments used, quality = 0.87: * HB2 GLU 50 + H LEU 51 OK 61 100 - 61 - 4.7=36, 3.9/187=11...(11) HB3 GLU 50 + H LEU 51 OK 61 100 - 61 - 4.7=36, 3.9/187=11...(11) HG2 PRO 44 + H LEU 51 OK 15 99 - 15 - 2.3/4525=4, 2.3/5647=2...(5) HB2 GLU 87 - H LEU 51 lone 10 98 - 10 - 3.0/192=3, 3.0/192=3 HB VAL 76 - H LEU 51 lone 6 100 - 6 - 3.0/188=1 HB2 GLU 25 - H LEU 51 lone 6 95 - 7 - HB3 GLU 25 - H LEU 51 lone 6 93 - 7 - HB VAL 45 - H LEU 51 lone 5 71 - 7 - 4.4/5678=3, 4480/4947=1 HD2 ARG 69 - H LEU 51 lone 5 97 - 5 - HD3 ARG 69 - H LEU 51 lone 5 97 - 5 - HB3 GLU 19 - H LEU 51 lone 5 100 - 5 - 3.0/192=1, 3.0/192=1 HB VAL 90 - H LEU 51 lone 4 78 - 6 - 2.1/661=1, 2.1/661=1 HB3 MET 31 - H LEU 51 lone 4 57 - 6 - 4.0/187=2 HG2 PRO 56 - H LEU 51 lone 3 100 - 3 - HB3 PRO 56 - H LEU 51 lone 3 98 - 3 - HB3 GLN 91 - H LEU 51 lone 1 100 - 1 - Peak 190 from nnoeabs.peaks (2.04, 7.53, 121.73 ppm; 3.31 A): 3 out of 16 assignments used, quality = 0.87: HB2 GLU 50 + H LEU 51 OK 61 100 - 61 - 4.7=36, 3.9/187=11...(11) * HB3 GLU 50 + H LEU 51 OK 61 100 - 61 - 4.7=36, 3.9/187=11...(11) HG2 PRO 44 + H LEU 51 OK 15 99 - 15 - 2.3/4525=4, 2.3/5647=2...(5) HB2 GLU 87 - H LEU 51 lone 10 98 - 10 - 3.0/192=3, 3.0/192=3 HB VAL 76 - H LEU 51 lone 6 100 - 6 - 3.0/188=1 HB2 GLU 25 - H LEU 51 lone 6 95 - 7 - HB3 GLU 25 - H LEU 51 lone 6 93 - 7 - HB VAL 45 - H LEU 51 lone 5 71 - 7 - 4.4/5678=3, 4480/4947=1 HD2 ARG 69 - H LEU 51 lone 5 97 - 5 - HD3 ARG 69 - H LEU 51 lone 5 97 - 5 - HB3 GLU 19 - H LEU 51 lone 5 100 - 5 - 3.0/192=1, 3.0/192=1 HB VAL 90 - H LEU 51 lone 4 78 - 6 - 2.1/661=1, 2.1/661=1 HB3 MET 31 - H LEU 51 lone 4 57 - 6 - 4.0/187=2 HG2 PRO 56 - H LEU 51 lone 3 100 - 3 - HB3 PRO 56 - H LEU 51 lone 3 98 - 3 - HB3 GLN 91 - H LEU 51 lone 1 100 - 1 - Peak 192 from nnoeabs.peaks (2.21, 7.53, 121.73 ppm; 4.65 A): 3 out of 5 assignments used, quality = 0.78: * HG3 GLU 50 + H LEU 51 OK 58 100 - 58 - 4.9/187=17, 1.8/4942=16...(8) HG2 GLU 87 + H LEU 51 OK 28 99 - 29 - 3855=7, 2184/3.6=6...(7) HG3 GLU 87 + H LEU 51 OK 28 98 - 29 - 3855=6, 2184/3.6=6...(7) HG3 GLU 19 - H LEU 51 poor 9 73 - 12 - 3855=2, 2184/3.6=2...(5) HG2 GLU 19 - H LEU 51 poor 9 73 - 12 - 3855=2, 2184/3.6=2...(5) Peak 193 from nnoeabs.peaks (7.53, 7.43, 115.28 ppm; 3.26 A): 4 out of 4 assignments used, quality = 0.92: * H LEU 51 + H LEU 52 OK 73 100 - 73 - 4.6=35, 662/4.6=12...(14) H ARG 54 + H LEU 52 OK 56 100 - 56 - 4966/3.0=13, 207/4.5=12...(15) H LEU 43 + H LEU 52 OK 21 97 - 22 - 4.6/5687=3, 2237/4.6=3...(10) HD21 ASN 80 + H LEU 52 OK 10 93 - 11 - 2209/3.6=2, 2244/4.6=1...(4) Peak 194 from nnoeabs.peaks (3.89, 7.43, 115.28 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 51 + H LEU 52 OK 100 100 - 100 - 3.6=100 HA ILE 33 + H LEU 52 OK 46 100 - 46 - 5545=8, 4.1/4210=6...(15) HB3 SER 22 - H LEU 52 OK 28 100 - 28 - 1.8/5224=5, 2224/4.6=5...(7) HD2 PRO 36 - H LEU 52 OK 13 81 - 17 - 2245/4.6=5, 2238/4.6=4...(5) Peak 195 from nnoeabs.peaks (1.32, 7.43, 115.28 ppm; 3.31 A): 2 out of 7 assignments used, quality = 0.96: HB2 LEU 52 + H LEU 52 OK 84 93 - 90 - 3.9=60, 3.1/670=21...(14) * HB2 LEU 51 + H LEU 52 OK 75 100 - 75 - 4.6=36, 1.8/3858=16...(13) HG2 ARG 54 - H LEU 52 OK 35 92 - 38 - 2211/3.6=5, 5949/4.5=5...(10) QB ALA 28 - H LEU 52 OK 18 89 - 21 - 5532/5.0=3, 2253/3.0=2...(8) HG3 LYS 32 - H LEU 52 OK 17 99 - 18 - 2211/3.6=2, 2246/4.6=2...(11) QG2 THR 58 - H LEU 52 lone 9 98 - 9 - 5755=1, 4623/5760=1 QB ALA 12 - H LEU 52 lone 4 97 - 4 - Peak 196 from nnoeabs.peaks (1.60, 7.43, 115.28 ppm; 3.46 A): 9 out of 19 assignments used, quality = 0.94: * HB3 LEU 51 + H LEU 52 OK 75 100 - 75 - 4.6=41, 3.1/198=17...(14) HB3 LEU 62 + H LEU 52 OK 31 97 - 33 - ~5957=6, 4.0/5776=5...(13) HG3 ARG 54 + H LEU 52 OK 23 76 - 31 - 1.8/195=5, 4.9/193=5...(10) HD2 LYS 39 + H LEU 52 OK 12 90 - 14 - 6085/4.6=4, 6086/4.6=3...(5) HD3 LYS 39 + H LEU 52 OK 12 89 - 14 - 6085/4.6=4, 6086/4.6=4...(4) HG LEU 86 + H LEU 52 OK 12 100 - 12 - 2.1/197=3, 2212/3.6=2...(4) HB3 LEU 29 + H LEU 52 OK 12 85 - 14 - 3.0/4542=2, 3.1/197=2 HD2 LYS 32 + H LEU 52 OK 11 97 - 12 - 3.0/666=2, 2212/3.6=1...(4) HD3 LYS 32 + H LEU 52 OK 11 95 - 11 - 3.0/666=2, 2212/3.6=1 HB2 LEU 86 - H LEU 52 poor 9 92 - 10 - 3.1/197=2, 2212/3.6=1 HD2 LYS 73 - H LEU 52 lone 8 97 - 8 - 2.9/667=1, 4964/4.5=1 HD3 LYS 73 - H LEU 52 lone 8 97 - 8 - 2.9/667=1, 4964/4.5=1 HG3 ARG 70 - H LEU 52 lone 3 95 - 3 - HG3 ARG 84 - H LEU 52 lone 3 99 - 3 - HG2 ARG 84 - H LEU 52 lone 3 99 - 3 - HG2 ARG 71 - H LEU 52 lone 1 83 - 2 - HG2 ARG 17 - H LEU 52 lone 1 85 - 1 - HG3 ARG 17 - H LEU 52 lone 1 83 - 1 - HG2 ARG 26 - H LEU 52 lone 1 78 - 1 - Peak 197 from nnoeabs.peaks (0.89, 7.43, 115.28 ppm; 4.41 A): 3 out of 9 assignments used, quality = 0.95: * HG LEU 51 + H LEU 52 OK 84 100 - 84 - 2.1/198=35, 3.0/3858=21...(13) QD1 LEU 62 + H LEU 52 OK 50 87 - 58 - ~5957=14, 4952/4.8=9...(14) QD1 LEU 86 + H LEU 52 OK 31 100 - 31 - 2213/3.6=5, 2241/4.6=4...(12) QD1 LEU 29 - H LEU 52 OK 29 96 - 31 - 2213/3.6=3, 2241/4.6=3...(13) QG2 VAL 90 - H LEU 52 OK 16 99 - 16 - 2213/3.6=2, 4550/3.0=2...(8) QG1 VAL 90 - H LEU 52 OK 16 99 - 15 - 2213/3.6=2, 4550/3.0=2...(8) HG12 ILE 68 - H LEU 52 poor 6 60 - 10 - 4951/3.9=2, 4952/4.8=2 QG1 VAL 76 - H LEU 52 lone 4 60 - 6 - QG2 VAL 76 - H LEU 52 lone 4 60 - 6 - Peak 198 from nnoeabs.peaks (0.19, 7.43, 115.28 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: * QD2 LEU 51 + H LEU 52 OK 99 100 - 99 - 4.6=99 Peak 200 from nnoeabs.peaks (7.43, 7.22, 117.09 ppm; 3.22 A): 2 out of 3 assignments used, quality = 0.78: * H LEU 52 + H ALA 53 OK 72 100 - 72 - 4.5=36, 3.9/3864=10...(12) H LEU 64 + H ALA 53 OK 23 97 - 23 - 2251/3.6=5, 2265/4.6=4...(9) HE21 GLN 61 - H ALA 53 lone 5 60 - 9 - 5.7/4509=2, 2251/3.6=1 Peak 201 from nnoeabs.peaks (3.81, 7.22, 117.09 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + H ALA 53 OK 100 100 - 100 - 3.6=100 HD2 PRO 14 - H ALA 53 OK 16 83 - 19 - 2266/4.6=5, 665/4.5=4...(7) Peak 202 from nnoeabs.peaks (1.33, 7.22, 117.09 ppm; 3.78 A): 2 out of 8 assignments used, quality = 0.95: * HB2 LEU 52 + H ALA 53 OK 88 100 - 88 - 4.6=54, 1.8/3864=23...(14) HB2 LEU 51 + H ALA 53 OK 55 93 - 59 - 4.6/925=16, 3.0/5674=12...(13) HG2 ARG 54 - H ALA 53 OK 28 60 - 47 - 4.9/207=14, 4.8/4973=12...(11) QB ALA 28 - H ALA 53 OK 20 100 - 20 - 2.1/4549=3, 2253/3.6=3...(8) HG3 LYS 32 - H ALA 53 OK 19 99 - 19 - 3.9/4549=3, 2253/3.6=2...(8) QG2 THR 58 - H ALA 53 lone 5 76 - 6 - 5755/4.5=2, 4623/4973=1 QB ALA 12 - H ALA 53 lone 4 100 - 4 - QB ALA 16 - H ALA 53 lone 2 73 - 2 - Peak 203 from nnoeabs.peaks (1.47, 7.22, 117.09 ppm; 3.58 A): 4 out of 8 assignments used, quality = 0.91: * HB3 LEU 52 + H ALA 53 OK 82 100 - 83 - 4.6=46, 3.1/205=19...(12) HB3 LEU 57 + H ALA 53 OK 21 100 - 21 - 2254/3.6=6, 2261/4.6=4...(7) HG2 LYS 73 + H ALA 53 OK 20 100 - 20 - 1.8/673=4, 3.8/672=2...(7) QB ALA 63 + H ALA 53 OK 16 95 - 17 - 3.6/200=6, 3913/4.5=4...(4) HG12 ILE 33 - H ALA 53 poor 8 60 - 13 - 1.8/204=3, 2254/3.6=2...(5) QB ALA 30 - H ALA 53 lone 6 63 - 10 - 3.6/4559=2, 2.1/672=1, 4.5/672=1 HG3 LYS 13 - H ALA 53 lone 3 89 - 4 - HG3 LYS 85 - H ALA 53 lone 3 83 - 4 - Peak 204 from nnoeabs.peaks (1.20, 7.22, 117.09 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.93: * HG LEU 52 + H ALA 53 OK 89 100 - 89 - 2.1/205=35, 2.1/206=34...(16) QG2 VAL 65 + H ALA 53 OK 38 89 - 43 - 4726/206=11, 5315/205=9...(6) HG13 ILE 33 - H ALA 53 OK 19 73 - 26 - 2255/3.6=5, 668/4.5=4...(8) QG2 THR 15 - H ALA 53 OK 13 100 - 12 - 2255/3.6=2, 2269/4.6=2...(6) QG2 THR 37 - H ALA 53 OK 13 73 - 17 - 6128/4.6=5, 2255/3.6=2...(6) Peak 205 from nnoeabs.peaks (0.44, 7.22, 117.09 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.91: * QD1 LEU 52 + H ALA 53 OK 91 100 - 91 - 2.1/206=36, 3866=36...(16) Peak 206 from nnoeabs.peaks (0.51, 7.22, 117.09 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.95: * QD2 LEU 52 + H ALA 53 OK 95 100 - 95 - 2257/3.6=41, 2.1/205=39...(17) Peak 207 from nnoeabs.peaks (7.22, 7.53, 116.98 ppm; 3.19 A): 2 out of 2 assignments used, quality = 0.75: * H ALA 53 + H ARG 54 OK 68 100 - 68 - 4.6=32, 2296/3.6=20...(14) H ILE 40 + H ARG 54 OK 21 76 - 27 - 3.6/6081=4, 5307/4.1=3...(11) Peak 208 from nnoeabs.peaks (4.16, 7.53, 116.98 ppm; 3.91 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 53 + H ARG 54 OK 100 100 - 100 - 3.6=100 HA ASN 49 - H ARG 54 OK 19 71 - 26 - 3.6/923=7, 4495=5...(10) HA LYS 73 - H ARG 54 OK 14 95 - 15 - ~5987=2, 3.8/209=2...(7) HA LEU 29 - H ARG 54 lone 10 100 - 10 - 4582/4.6=3, 672/4.6=1 HA ARG 82 - H ARG 54 poor 10 95 - 10 - 5885/4.1=2, 5886/6.4=1...(4) HA ALA 30 - H ARG 54 lone 5 63 - 7 - 3.6/927=3, 4582/4.6=1 HA ARG 84 - H ARG 54 lone 3 81 - 4 - HB THR 15 - H ARG 54 lone 3 100 - 3 - HA ILE 89 - H ARG 54 lone 2 99 - 2 - Peak 209 from nnoeabs.peaks (1.39, 7.53, 116.98 ppm; 3.47 A): 1 out of 12 assignments used, quality = 0.95: * QB ALA 53 + H ARG 54 OK 95 100 - 95 - 3.6=92, 2.9/207=23...(4) HG3 LYS 39 - H ARG 54 OK 33 96 - 35 - 1.8/677=6, 4967/3.0=5...(13) HG3 LYS 73 - H ARG 54 OK 12 100 - 12 - 4967/3.0=2, 2295/3.6=2...(7) HG2 LYS 75 - H ARG 54 lone 8 100 - 8 - 4967/3.0=1 HG3 LYS 75 - H ARG 54 lone 8 100 - 8 - 4967/3.0=1 HB3 ARG 69 - H ARG 54 lone 6 100 - 6 - HG3 ARG 69 - H ARG 54 lone 5 90 - 5 - QB ALA 78 - H ARG 54 lone 3 100 - 3 - HG2 LYS 85 - H ARG 54 lone 2 92 - 2 - QB ALA 77 - H ARG 54 lone 2 89 - 2 - QB ALA 20 - H ARG 54 lone 1 92 - 1 - HG2 LYS 83 - H ARG 54 lone 1 73 - 1 - Peak 210 from nnoeabs.peaks (7.53, 7.69, 117.85 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.74: * H ARG 54 + H TYR 55 OK 61 100 - 61 - 4.6=28, 5703/4.4=10...(12) H LEU 51 + H TYR 55 OK 32 100 - 32 - 4.5/5731=7, 2299/3.6=6...(11) H LEU 43 - H TYR 55 lone 9 97 - 9 - 2299/3.6=1, 149=1, 2315/4.6=1 HD21 ASN 80 - H TYR 55 lone 4 92 - 4 - Peak 211 from nnoeabs.peaks (4.01, 7.69, 117.85 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 54 + H TYR 55 OK 100 100 - 100 - 3.6=100 HB2 SER 22 - H TYR 55 OK 19 100 - 19 - 2316/4.6=4, 2324/4.8=4...(6) HA PHE 48 - H TYR 55 OK 15 81 - 19 - 4469/4946=3, 4453/4.6=3...(10) HA ARG 70 - H TYR 55 lone 10 99 - 10 - 2316/4.6=1, 2308/4.6=1...(4) Peak 212 from nnoeabs.peaks (1.76, 7.69, 117.85 ppm; 3.85 A): 3 out of 17 assignments used, quality = 0.95: * HB2 ARG 54 + H TYR 55 OK 81 100 - 81 - 4.6=57, 1.8/3872=17...(11) HB2 LEU 57 + H TYR 55 OK 51 100 - 51 - 3.1/5730=14, ~6132=10...(14) HG2 PRO 34 + H TYR 55 OK 46 99 - 46 - 4246/4.4=16, 4859/3.8=14...(10) HB3 LYS 32 - H TYR 55 OK 26 99 - 27 - 4.3/5544=3, 4.0/89=3...(14) HB2 LYS 32 - H TYR 55 OK 26 99 - 27 - 4.3/5544=3, 4.0/89=3...(14) HB2 LEU 62 - H TYR 55 OK 26 85 - 31 - 4.0/246=6, 5777=5...(11) HB3 LYS 39 - H TYR 55 OK 25 89 - 28 - 2.9/5732=5, 4.4/4973=4...(9) HB ILE 33 - H TYR 55 OK 24 100 - 24 - 3.2/5550=4, 3.9/5544=3...(11) HB2 PRO 34 - H TYR 55 OK 24 93 - 26 - 4247/4.4=7, 3871=3...(9) HB3 LYS 73 - H TYR 55 OK 12 96 - 13 - 3.0/4582=2, 2.9/5732=2 HB3 ARG 82 - H TYR 55 lone 9 100 - 8 - 3.0/4582=1, 5479/4.6=1 HB3 LYS 75 - H TYR 55 lone 7 78 - 9 - 2.7/5732=2, 2.7/5732=2 HB2 LYS 13 - H TYR 55 lone 5 73 - 7 - 4.8/4581=3 HG3 ARG 71 - H TYR 55 lone 3 93 - 3 - HB3 ARG 17 - H TYR 55 lone 2 78 - 3 - HG3 ARG 26 - H TYR 55 lone 2 89 - 2 - HB2 LYS 83 - H TYR 55 lone 2 90 - 2 - Peak 213 from nnoeabs.peaks (1.55, 7.69, 117.85 ppm; 3.86 A): 4 out of 8 assignments used, quality = 0.94: * HB3 ARG 54 + H TYR 55 OK 80 100 - 80 - 4.6=57, 4.1/927=16...(10) HG3 ARG 54 + H TYR 55 OK 46 63 - 73 - 4.8=51, 3.0/3872=14...(7) HG2 LYS 39 + H TYR 55 OK 28 100 - 28 - 1.8/5732=6, 4634/4.4=5...(10) HG LEU 62 + H TYR 55 OK 23 87 - 27 - 3.0/5777=5, 5.0/246=4...(9) HG LEU 64 - H TYR 55 lone 9 99 - 9 - 3.0/5733=2 HB3 LEU 86 - H TYR 55 lone 7 92 - 8 - 4634/4.4=1 HG2 ARG 82 - H TYR 55 lone 5 83 - 6 - 3.8/4582=1 HG3 ARG 23 - H TYR 55 lone 4 99 - 4 - Peak 214 from nnoeabs.peaks (1.31, 7.69, 117.85 ppm; 4.90 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 54 + H TYR 55 OK 100 100 - 100 - 4.8=100 HB2 LEU 51 + H TYR 55 OK 67 92 - 73 - 3.1/5731=28, 3.9/210=12...(13) QG2 THR 58 - H TYR 55 OK 37 99 - 37 - 4623=12, 4.0/4620=8...(10) HB2 LEU 52 - H TYR 55 OK 37 60 - 61 - 3.0/4581=32, 4.6/4973=21...(11) HG3 LYS 32 - H TYR 55 OK 30 78 - 38 - 2319/4.6=4, 2303/3.6=4...(14) HG2 LYS 32 - H TYR 55 OK 26 76 - 34 - 2319/4.6=4, 2303/3.6=3...(15) QB ALA 12 - H TYR 55 lone 3 68 - 4 - Peak 215 from nnoeabs.peaks (1.58, 7.69, 117.85 ppm; 3.91 A): 4 out of 13 assignments used, quality = 0.94: * HG3 ARG 54 + H TYR 55 OK 77 100 - 77 - 4.8=53, 3.0/3872=15...(9) HB3 ARG 54 + H TYR 55 OK 49 63 - 79 - 4.6=60, 4.1/927=16...(9) HB3 LEU 51 + H TYR 55 OK 33 76 - 44 - 3.1/5731=17, 3.9/210=9...(8) HG LEU 62 + H TYR 55 OK 27 97 - 28 - 3.0/5777=5, 5.0/246=4...(10) HB3 LEU 62 - H TYR 55 OK 27 96 - 28 - 4.0/246=6, 1.8/5777=6...(9) HD3 LYS 39 - H TYR 55 OK 18 99 - 19 - 3.0/5732=5, 2304/3.6=2...(8) HD2 LYS 39 - H TYR 55 OK 18 99 - 18 - 3.0/5732=5, 2304/3.6=2...(8) HG2 LYS 39 - H TYR 55 OK 13 63 - 21 - 1.8/5732=6, 2302/3.6=3...(8) HB3 LEU 29 - H TYR 55 OK 13 100 - 13 - 3.0/4582=4, 5778=2...(4) HB3 LEU 86 - H TYR 55 lone 6 95 - 7 - HG LEU 86 - H TYR 55 lone 6 78 - 8 - 5950/4.4=1 HG2 ARG 84 - H TYR 55 lone 5 89 - 5 - HG3 ARG 84 - H TYR 55 lone 5 89 - 5 - Peak 218 from nnoeabs.peaks (4.67, 8.15, 124.80 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.70: * HA PRO 56 + H LEU 57 OK 70 100 - 70 - 3.5=56, 2.3/220=10...(8) HA ASN 42 - H LEU 57 lone 5 99 - 5 - 2400/4.0=2, 2407/4.0=1 Peak 219 from nnoeabs.peaks (2.09, 8.15, 124.80 ppm; 3.87 A): 2 out of 9 assignments used, quality = 0.99: * HB2 PRO 56 + H LEU 57 OK 98 100 - 98 - 4.0=93, 2.3/218=40...(6) HG3 PRO 56 + H LEU 57 OK 57 100 - 57 - 3.8/218=27, 2.3/220=17...(5) HB3 MET 31 - H LEU 57 OK 15 87 - 18 - 4846/4.7=6, 1.8/692=6...(5) HB VAL 45 - H LEU 57 OK 15 76 - 19 - 2.1/694=10, 2102/4.7=4...(5) HB3 PRO 44 - H LEU 57 OK 15 100 - 15 - 2397/3.5=5, 2075/4.0=5 HG2 PRO 36 - H LEU 57 lone 7 100 - 7 - 2421/3.5=3, 2411/4.0=2 HG3 PRO 36 - H LEU 57 lone 7 99 - 7 - 2421/3.5=3, 2411/4.0=2 HB3 GLU 59 - H LEU 57 lone 2 100 - 2 - HB2 GLU 59 - H LEU 57 lone 2 100 - 2 - Peak 220 from nnoeabs.peaks (2.03, 8.15, 124.80 ppm; 3.74 A): 2 out of 16 assignments used, quality = 0.97: * HB3 PRO 56 + H LEU 57 OK 94 100 - 94 - 4.0=84, 2.3/218=39...(6) HG2 PRO 56 + H LEU 57 OK 53 99 - 54 - 3.8/218=26, 2.3/219=14...(6) HG2 PRO 44 - H LEU 57 OK 12 90 - 13 - 2396/3.5=5, 2403/4.0=4 HB VAL 76 - H LEU 57 lone 7 95 - 7 - 2.1/4597=2, 2.1/4597=2 HB2 GLU 25 - H LEU 57 lone 3 78 - 4 - HB3 GLU 25 - H LEU 57 lone 3 76 - 4 - HB VAL 90 - H LEU 57 lone 3 95 - 3 - 2.1/4597=1, 2.1/4597=1 HB2 GLU 87 - H LEU 57 lone 2 100 - 2 - HG2 ARG 66 - H LEU 57 lone 2 81 - 2 - HD3 ARG 69 - H LEU 57 lone 2 100 - 2 - HD2 ARG 69 - H LEU 57 lone 2 100 - 2 - HB2 GLU 50 - H LEU 57 lone 1 98 - 1 - HB3 GLU 50 - H LEU 57 lone 1 98 - 1 - HB3 GLU 19 - H LEU 57 lone 1 99 - 1 - HB3 GLN 91 - H LEU 57 lone 1 98 - 1 - HB3 MET 11 - H LEU 57 lone 1 71 - 1 - Peak 225 from nnoeabs.peaks (8.15, 9.06, 113.20 ppm; 5.02 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 57 + H THR 58 OK 100 100 - 100 - 4.6=100 H ASN 74 - H THR 58 OK 29 100 - 29 - 2435/4.2=6, 2442/4.2=6...(6) H ALA 78 - H THR 58 OK 11 100 - 11 - 2442/4.2=2, 2435/4.2=2...(5) H ARG 26 - H THR 58 lone 8 83 - 9 - 2435/4.2=2, 2442/4.2=2...(5) H ILE 89 - H THR 58 lone 6 78 - 8 - 2442/4.2=1, 2435/4.2=1...(5) H ARG 27 - H THR 58 lone 6 65 - 9 - 2435/4.2=1, 2456/4.8=1...(4) H THR 88 - H THR 58 lone 5 83 - 5 - Peak 226 from nnoeabs.peaks (4.76, 9.06, 113.20 ppm; 3.08 A): 2 out of 2 assignments used, quality = 0.95: * HA LEU 57 + H THR 58 OK 80 100 - 80 - 3.6=64, 3.0/928=14...(9) HB THR 58 + H THR 58 OK 75 100 - 75 - 4.1=44, 2.1/2478=29...(12) Peak 227 from nnoeabs.peaks (1.77, 9.06, 113.20 ppm; 4.23 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 57 + H THR 58 OK 100 100 - 100 - 4.2=100 HB ILE 33 - H THR 58 OK 42 100 - 42 - 3.2/230=13, 1657/4.8=10...(9) HB2 LEU 62 - H THR 58 OK 32 83 - 38 - 4.0/5368=23, 3.0/5754=4...(8) HG2 PRO 34 - H THR 58 OK 23 99 - 23 - 4860/4.8=9, 2444/4.2=3...(6) HB2 ARG 54 - H THR 58 OK 21 100 - 21 - 4.6/4620=5, 3.0/698=3...(9) HB2 LYS 32 - H THR 58 OK 15 99 - 15 - 2.9/698=3, 3.0/5754=1...(7) HB3 LYS 32 - H THR 58 OK 15 99 - 15 - 2.9/698=3, 3.0/5754=1...(7) HB2 PRO 34 - H THR 58 OK 13 95 - 14 - 2444/4.2=3, 2458/4.8=3...(5) HB3 LYS 73 - H THR 58 OK 11 97 - 12 - 4.3/225=3, 2.9/228=2...(4) HB2 LYS 13 - H THR 58 poor 9 76 - 12 - 3.5/4624=2, 3.5/4624=2...(4) HB3 LYS 75 - H THR 58 lone 5 81 - 6 - 3.5/4624=1, 3.5/4624=1 HB3 LYS 39 - H THR 58 lone 4 90 - 4 - HG3 ARG 26 - H THR 58 lone 3 87 - 4 - HG3 ARG 71 - H THR 58 lone 2 92 - 3 - HB3 ARG 82 - H THR 58 lone 2 100 - 2 - HB2 LYS 83 - H THR 58 lone 2 92 - 2 - HB3 ARG 17 - H THR 58 lone 1 76 - 2 - Peak 228 from nnoeabs.peaks (1.47, 9.06, 113.20 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.96: * HB3 LEU 57 + H THR 58 OK 94 100 - 94 - 4.2=82, 3.1/3888=25...(11) HB3 LEU 52 + H THR 58 OK 36 100 - 36 - 6098/4.8=9, 2438/4.2=6...(9) HG12 ILE 33 - H THR 58 OK 29 73 - 39 - 2.1/230=15, 2438/4.2=5...(9) QB ALA 30 - H THR 58 OK 18 76 - 24 - 4.9/696=5, 3.6/4620=4...(6) HG3 LYS 13 - H THR 58 OK 14 96 - 15 - 2.9/4624=2, 2.9/4624=2...(6) QB ALA 63 - H THR 58 OK 13 87 - 16 - 5787/5368=5, 4657/4648=2...(7) HG2 LYS 73 - H THR 58 OK 11 97 - 11 - 691/4.6=2, 2431/3.6=2...(7) HG13 ILE 89 - H THR 58 lone 4 60 - 6 - HG3 LYS 85 - H THR 58 lone 3 92 - 3 - Peak 230 from nnoeabs.peaks (0.71, 9.06, 113.20 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 57 + H THR 58 OK 84 100 - 84 - 4.8=54, 2457/3.6=19...(16) QD1 ILE 33 + H THR 58 OK 61 100 - 61 - 4221/4.8=13, 2440/4.2=10...(17) Peak 231 from nnoeabs.peaks (1.00, 9.06, 113.20 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + H THR 58 OK 100 100 - 100 - 4.8=100 QG1 VAL 45 - H THR 58 OK 43 97 - 44 - 2448/4.2=10, 2441/4.2=10...(8) Peak 233 from nnoeabs.peaks (4.43, 9.11, 120.45 ppm; 3.14 A): 2 out of 5 assignments used, quality = 0.86: * HA THR 58 + H GLU 59 OK 83 100 - 83 - 3.6=68, 3.0/234=18...(8) HA MET 31 + H GLU 59 OK 16 96 - 17 - 2479/4.0=4, 696/4.6=3...(6) HA SER 22 - H GLU 59 lone 3 92 - 3 - HA PRO 14 - H GLU 59 lone 1 78 - 1 - HA TYR 81 - H GLU 59 lone 1 65 - 1 - Peak 234 from nnoeabs.peaks (4.76, 9.11, 120.45 ppm; 3.01 A): 2 out of 2 assignments used, quality = 0.72: * HB THR 58 + H GLU 59 OK 63 100 - 63 - 4.7=27, 3.0/3890=21...(7) HA LEU 57 + H GLU 59 OK 23 100 - 23 - 4.7/3890=11, 697/4.6=6...(4) Peak 235 from nnoeabs.peaks (1.31, 9.11, 120.45 ppm; 3.83 A): 1 out of 8 assignments used, quality = 0.97: * QG2 THR 58 + H GLU 59 OK 97 100 - 97 - 4.0=86, 2.1/234=32...(11) HB2 LEU 51 - H GLU 59 OK 11 98 - 11 - 698/4.6=1, 2473/3.6=1...(6) HG2 ARG 54 - H GLU 59 OK 11 99 - 11 - 4.8/4644=2, 698/4.6=2...(5) HG3 LYS 32 - H GLU 59 lone 7 90 - 7 - 2473/3.6=2, 698/4.6=2 HB2 LEU 52 - H GLU 59 lone 5 76 - 7 - 698/4.6=2, 2473/3.6=1 QB ALA 28 - H GLU 59 lone 3 68 - 5 - 698/4.6=1 HG2 LYS 32 - H GLU 59 lone 2 60 - 3 - QB ALA 12 - H GLU 59 lone 2 83 - 2 - Peak 236 from nnoeabs.peaks (9.11, 8.51, 114.41 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + H SER 60 OK 100 100 - 100 - 4.7=100 Peak 237 from nnoeabs.peaks (4.04, 8.51, 114.41 ppm; 5.10 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 59 + H SER 60 OK 100 100 - 100 - 3.6=100 HA ALA 63 - H SER 60 OK 42 89 - 47 - ~4995=21, ~4647=14...(7) HD2 PRO 44 - H SER 60 OK 19 99 - 19 - 700/4.7=6, 2495/4.6=4...(5) HA PHE 48 - H SER 60 lone 5 90 - 5 - 700/4.7=1 HA ARG 26 - H SER 60 lone 2 73 - 2 - Peak 238 from nnoeabs.peaks (2.09, 8.51, 114.41 ppm; 4.23 A): 2 out of 9 assignments used, quality = 0.97: HB3 GLU 59 + H SER 60 OK 83 100 - 83 - 4.6=77, 2494/4.7=12...(7) * HB2 GLU 59 + H SER 60 OK 83 100 - 83 - 4.6=77, 2494/4.7=12...(7) HB3 PRO 44 - H SER 60 OK 13 100 - 13 - 2077/3.6=5, 3.0/237=3...(4) HB3 MET 31 - H SER 60 OK 12 81 - 15 - 4997/3.0=4, 1536/4.6=3...(8) HG2 PRO 36 - H SER 60 OK 11 100 - 11 - 4997/3.0=3, ~4997=2...(4) HG3 PRO 36 - H SER 60 OK 11 100 - 11 - 4997/3.0=3, ~4997=2...(4) HB2 PRO 56 - H SER 60 lone 4 100 - 4 - HG3 PRO 56 - H SER 60 lone 4 100 - 4 - HB VAL 45 - H SER 60 lone 1 68 - 2 - Peak 239 from nnoeabs.peaks (2.09, 8.51, 114.41 ppm; 4.23 A): 2 out of 9 assignments used, quality = 0.97: * HB3 GLU 59 + H SER 60 OK 83 100 - 83 - 4.6=77, 2494/4.7=12...(7) HB2 GLU 59 + H SER 60 OK 83 100 - 83 - 4.6=77, 2494/4.7=12...(7) HB3 PRO 44 - H SER 60 OK 13 100 - 13 - 2077/3.6=5, 3.0/237=3...(4) HB3 MET 31 - H SER 60 OK 12 81 - 15 - 4997/3.0=4, 1536/4.6=3...(8) HG2 PRO 36 - H SER 60 OK 11 100 - 11 - 4997/3.0=3, ~4997=2...(4) HG3 PRO 36 - H SER 60 OK 11 100 - 11 - 4997/3.0=3, ~4997=2...(4) HB2 PRO 56 - H SER 60 lone 4 100 - 4 - HG3 PRO 56 - H SER 60 lone 4 100 - 4 - HB VAL 45 - H SER 60 lone 1 68 - 2 - Peak 242 from nnoeabs.peaks (8.51, 7.68, 122.99 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.98: * H SER 60 + H GLN 61 OK 98 100 - 98 - 4.6=97, 3.8/244=16...(5) H ARG 23 - H GLN 61 lone 8 95 - 8 - 2512/3.6=2, 511/4.0=1 Peak 243 from nnoeabs.peaks (4.28, 7.68, 122.99 ppm; 4.45 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 60 + H GLN 61 OK 100 100 - 100 - 3.6=100 HA LEU 64 - H GLN 61 OK 37 87 - 43 - 3.0/5760=8, 4.9/4657=7...(15) HA ASP 38 - H GLN 61 OK 14 100 - 14 - 5775/4.6=3, 3.0/713=2...(4) HA ARG 17 - H GLN 61 lone 7 100 - 7 - 5775/4.6=2, ~5758=1 HA LEU 86 - H GLN 61 lone 5 73 - 7 - 5775/4.6=3 HA ALA 20 - H GLN 61 lone 4 89 - 5 - HA LYS 39 - H GLN 61 lone 4 63 - 6 - HA THR 88 - H GLN 61 lone 3 100 - 3 - HA ALA 12 - H GLN 61 lone 3 83 - 3 - HA GLU 19 - H GLN 61 lone 2 81 - 2 - Peak 244 from nnoeabs.peaks (3.84, 7.68, 122.99 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.93: HB3 SER 60 + H GLN 61 OK 74 100 - 74 - 4.4=66, 3.8/242=18...(4) * HB2 SER 60 + H GLN 61 OK 74 100 - 74 - 4.4=66, 3.8/242=18...(4) HD2 PRO 36 - H GLN 61 lone 1 57 - 2 - Peak 245 from nnoeabs.peaks (3.84, 7.68, 122.99 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.93: * HB3 SER 60 + H GLN 61 OK 74 100 - 74 - 4.4=66, 3.8/242=18...(4) HB2 SER 60 + H GLN 61 OK 74 100 - 74 - 4.4=66, 3.8/242=18...(4) HD2 PRO 36 - H GLN 61 lone 1 57 - 2 - Peak 246 from nnoeabs.peaks (7.68, 8.82, 120.20 ppm; 3.42 A): 3 out of 3 assignments used, quality = 0.82: * H GLN 61 + H LEU 62 OK 69 100 - 69 - 4.6=40, 4.0/248=11...(14) H TYR 55 + H LEU 62 OK 27 99 - 27 - 5777/4.0=3, 2524/3.6=3...(12) H MET 31 + H LEU 62 OK 20 71 - 28 - 4.7/248=4, 559/4.6=4...(11) Peak 247 from nnoeabs.peaks (3.96, 8.82, 120.20 ppm; 4.03 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 61 + H LEU 62 OK 100 100 - 100 - 3.6=100 HA THR 37 - H LEU 62 OK 29 60 - 49 - 1808=10, 3.2/1816=8...(14) HA ALA 28 - H LEU 62 OK 22 99 - 23 - 3.6/933=3, 4182/4.6=3...(7) HA ARG 66 - H LEU 62 OK 20 96 - 21 - ~4675=11, 5378/4.6=4 HA GLU 50 - H LEU 62 OK 19 100 - 19 - 3901=4, 2526/4.6=3...(6) HA VAL 76 - H LEU 62 OK 14 100 - 14 - 3.0/933=2, 3.2/722=1...(6) HA2 GLY 72 - H LEU 62 OK 12 100 - 12 - 3.0/933=3, 3.6/933=2, 4796/4.8=1 HA2 GLY 21 - H LEU 62 OK 11 95 - 12 - ~4674=2, 2541/4.6=2...(4) HA3 GLY 21 - H LEU 62 OK 11 93 - 12 - ~4674=2, 2541/4.6=2...(4) HA LYS 32 - H LEU 62 OK 11 96 - 11 - 710/4.6=2, 2533/4.6=1 Peak 248 from nnoeabs.peaks (2.53, 8.82, 120.20 ppm; 3.76 A): 2 out of 4 assignments used, quality = 0.86: * HB2 GLN 61 + H LEU 62 OK 77 100 - 77 - 4.6=53, 4.0/932=18...(10) HG3 MET 31 + H LEU 62 OK 39 100 - 39 - 711/4.6=7, 2542/4.6=7...(14) HB2 ASP 24 - H LEU 62 lone 5 63 - 7 - 1.8/250=2, 2542/4.6=1 HB3 ASP 46 - H LEU 62 lone 4 81 - 5 - Peak 249 from nnoeabs.peaks (1.66, 8.82, 120.20 ppm; 3.94 A): 2 out of 10 assignments used, quality = 0.90: * HB3 GLN 61 + H LEU 62 OK 83 100 - 83 - 4.6=62, 1.8/248=25...(9) HG LEU 29 + H LEU 62 OK 40 92 - 44 - 2.1/723=8, 3.0/2578=5...(15) HD3 LYS 13 - H LEU 62 lone 10 99 - 10 - 2535/4.6=2, 2527/3.6=2 HD2 LYS 13 - H LEU 62 lone 10 99 - 10 - 2535/4.6=2, 2527/3.6=2 HD2 LYS 75 - H LEU 62 lone 8 100 - 8 - 2527/3.6=2, 2535/4.6=2 HD3 LYS 75 - H LEU 62 lone 8 100 - 8 - 2527/3.6=2, 2535/4.6=2 HG2 ARG 23 - H LEU 62 lone 5 97 - 5 - HB3 LYS 13 - H LEU 62 lone 5 78 - 6 - HG3 ARG 27 - H LEU 62 lone 1 65 - 2 - HG2 ARG 27 - H LEU 62 lone 1 63 - 2 - Peak 250 from nnoeabs.peaks (2.60, 8.82, 120.20 ppm; 4.60 A): 6 out of 6 assignments used, quality = 0.89: * HG2 GLN 61 + H LEU 62 OK 66 100 - 66 - 3.0/248=24, 5.0/932=20...(8) HG2 MET 31 + H LEU 62 OK 37 73 - 50 - 1.8/248=15, 713/4.6=8...(11) HB2 ASP 38 + H LEU 62 OK 18 83 - 22 - 4.0/119=9, 3.0/5775=5...(6) HB3 ASP 38 + H LEU 62 OK 17 81 - 21 - 4.0/119=9, 3.0/5775=5...(6) HB3 ASP 24 + H LEU 62 OK 15 95 - 16 - 2544/4.6=3, 2536/4.6=3...(6) HB3 ASP 47 + H LEU 62 OK 12 97 - 12 - 2536/4.6=2, 2544/4.6=2...(5) Peak 254 from nnoeabs.peaks (8.82, 7.98, 119.93 ppm; 3.39 A): 2 out of 2 assignments used, quality = 0.79: * H LEU 62 + H ALA 63 OK 71 100 - 71 - 4.6=39, 5787/2.9=11...(12) H THR 37 + H ALA 63 OK 26 98 - 27 - 2564/3.6=7, 2571/4.6=5...(6) Peak 255 from nnoeabs.peaks (3.92, 7.98, 119.93 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + H ALA 63 OK 100 100 - 100 - 3.6=100 HA THR 37 - H ALA 63 OK 30 96 - 32 - 3.0/254=10, 1808/4.6=7...(6) HA2 GLY 18 - H ALA 63 OK 13 100 - 13 - 3.0/5779=4, 2572/4.6=2...(6) HA3 GLY 18 - H ALA 63 OK 13 100 - 13 - 3.0/5779=4, 2572/4.6=2...(6) HA3 GLY 21 - H ALA 63 poor 8 65 - 12 - 2.9/5779=4, ~5785=2, ~5783=2 HA2 GLY 21 - H ALA 63 poor 7 63 - 11 - 2.9/5779=4, ~5785=2, ~5783=2 Peak 256 from nnoeabs.peaks (1.75, 7.98, 119.93 ppm; 3.52 A): 7 out of 15 assignments used, quality = 0.89: * HB2 LEU 62 + H ALA 63 OK 74 100 - 74 - 4.6=45, 4.0/254=15...(17) HB2 LEU 57 + H ALA 63 OK 22 83 - 27 - 1.8/726=6, 4618/4.6=5...(7) HG3 ARG 71 + H ALA 63 OK 16 100 - 16 - 2929/3.0=2, 3.8/725=2...(4) HB3 ARG 17 + H ALA 63 OK 12 100 - 12 - 4.0/5779=3, 3.0/4690=3 HB2 LEU 43 + H ALA 63 OK 12 78 - 15 - 3.0/4685=2, 3.1/259=2...(5) HG3 ARG 26 + H ALA 63 OK 12 100 - 12 - 3.7/725=2, 1391/3.0=2 HB2 ARG 54 + H ALA 63 OK 10 85 - 12 - 4.6/5780=2, 2566/3.6=2...(6) HB ILE 33 - H ALA 63 lone 5 78 - 6 - 4229/3.6=2, 719/4.6=1 HB2 ARG 84 - H ALA 63 lone 4 83 - 4 - HG2 PRO 34 - H ALA 63 lone 3 95 - 4 - 4862/3.6=1 HB2 LYS 32 - H ALA 63 lone 2 65 - 3 - HB3 LYS 32 - H ALA 63 lone 2 65 - 3 - HB3 ARG 82 - H ALA 63 lone 2 85 - 2 - HB3 LYS 85 - H ALA 63 lone 2 73 - 2 - HB3 LYS 83 - H ALA 63 lone 1 60 - 2 - Peak 257 from nnoeabs.peaks (1.59, 7.98, 119.93 ppm; 3.53 A): 3 out of 17 assignments used, quality = 0.93: * HB3 LEU 62 + H ALA 63 OK 74 100 - 74 - 4.6=45, 4.0/254=15...(13) HB3 LEU 29 + H ALA 63 OK 54 99 - 55 - 1.8/3764=9, 3765=7...(19) HG LEU 62 + H ALA 63 OK 40 78 - 51 - 3.0/3907=12, 5.0/254=11...(14) HG LEU 86 - H ALA 63 OK 17 97 - 18 - 2.1/260=3, 2567/3.6=2...(7) HB3 LEU 51 - H ALA 63 OK 15 97 - 16 - 4.6/934=4, 3858/4.7=3...(5) HG3 ARG 70 - H ALA 63 OK 13 73 - 18 - 2.9/4685=2, 2.9/4685=2...(9) HB3 LEU 86 - H ALA 63 OK 12 71 - 18 - 3.1/260=3, 3765=2...(7) HB2 LEU 86 - H ALA 63 OK 11 68 - 16 - 3.1/260=3, 2579/3.6=2...(7) HG3 ARG 54 - H ALA 63 OK 11 96 - 11 - 4.8/5780=2, 2585/4.6=2...(5) HD3 LYS 73 - H ALA 63 lone 7 78 - 8 - 2.9/726=2 HD2 LYS 73 - H ALA 63 lone 7 78 - 8 - 2.9/726=2 HD2 LYS 39 - H ALA 63 lone 6 100 - 6 - HD3 LYS 39 - H ALA 63 lone 6 99 - 6 - HG3 ARG 84 - H ALA 63 lone 5 100 - 5 - HG2 ARG 84 - H ALA 63 lone 5 100 - 5 - HD2 LYS 32 - H ALA 63 lone 3 78 - 4 - HD3 LYS 32 - H ALA 63 lone 3 73 - 4 - Peak 258 from nnoeabs.peaks (1.57, 7.98, 119.93 ppm; 3.51 A): 4 out of 13 assignments used, quality = 0.92: HB3 LEU 62 + H ALA 63 OK 57 78 - 73 - 4.6=44, 4.0/254=15...(13) * HG LEU 62 + H ALA 63 OK 53 100 - 53 - 3.0/3907=11, 5.0/254=11...(14) HB3 LEU 29 + H ALA 63 OK 50 93 - 53 - 1.8/3764=9, 3.0/3766=7...(19) HG LEU 64 + H ALA 63 OK 24 68 - 35 - 4.8/934=11, 4.3/4690=6...(11) HB3 LEU 86 - H ALA 63 OK 19 100 - 19 - 3.1/260=3, 2568/3.6=2...(7) HG3 ARG 54 - H ALA 63 OK 12 97 - 12 - 4.8/5780=2, 2585/4.6=2...(5) HB3 ARG 54 - H ALA 63 OK 10 87 - 12 - 4.6/5780=2, 1.8/256=2...(5) HG2 LYS 39 - H ALA 63 OK 10 87 - 12 - 1862/4.7=3, 4.1/4690=1 HD3 LYS 39 - H ALA 63 lone 5 90 - 6 - HD2 LYS 39 - H ALA 63 lone 5 89 - 6 - HG3 ARG 23 - H ALA 63 lone 3 71 - 5 - HG3 ARG 84 - H ALA 63 lone 3 65 - 4 - HG2 ARG 84 - H ALA 63 lone 3 65 - 4 - Peak 259 from nnoeabs.peaks (0.93, 7.98, 119.93 ppm; 4.87 A): 4 out of 8 assignments used, quality = 0.97: * QD2 LEU 62 + H ALA 63 OK 83 100 - 83 - 4.8/254=23, 2593/3.6=21...(17) QD1 LEU 64 + H ALA 63 OK 45 71 - 63 - 4.4/934=23, 3.9/4690=12...(14) HG12 ILE 68 + H ALA 63 OK 43 98 - 44 - 5816=5, 2.1/3939=5...(17) QG2 VAL 41 + H ALA 63 OK 40 100 - 40 - ~4904=6, 4328=5...(13) QD2 LEU 43 - H ALA 63 OK 36 92 - 39 - 2.1/4685=5, 2576/4.6=5...(14) QG2 ILE 40 - H ALA 63 OK 35 100 - 35 - 4310/3.6=7, 4326=6...(9) QG2 VAL 76 - H ALA 63 OK 17 98 - 18 - 2569/3.6=2, 722/4.6=2...(5) QG1 VAL 76 - H ALA 63 OK 17 98 - 17 - 2569/3.6=2, 722/4.6=2...(5) Peak 260 from nnoeabs.peaks (0.87, 7.98, 119.93 ppm; 4.62 A): 3 out of 6 assignments used, quality = 0.96: * QD1 LEU 62 + H ALA 63 OK 76 100 - 76 - 4.8/254=21, 3.1/3907=17...(17) QD1 LEU 29 + H ALA 63 OK 73 99 - 74 - 2.1/3766=13, 3.1/3764=11...(21) QD1 LEU 86 + H ALA 63 OK 35 93 - 38 - 2570/3.6=6, 2577/4.6=5...(14) HG LEU 51 - H ALA 63 OK 18 87 - 21 - 5684/4.7=4, 2577/4.6=3...(7) QG2 VAL 90 - H ALA 63 OK 10 71 - 14 - 3.2/725=2, ~5370=2, ~3645=1 QG1 VAL 90 - H ALA 63 poor 10 68 - 14 - 3.2/725=2, ~5370=2, ~3645=1 Peak 261 from nnoeabs.peaks (7.98, 7.42, 119.17 ppm; 3.55 A): 7 out of 8 assignments used, quality = 0.89: * H ALA 63 + H LEU 64 OK 72 100 - 72 - 4.7=45, 726/3.6=21...(9) H ALA 30 + H LEU 64 OK 21 100 - 22 - 85/4.4=3, 2606/3.6=3...(8) H LEU 29 + H LEU 64 OK 18 68 - 27 - 4.8/732=3, 908/4.7=3...(12) H ARG 70 + H LEU 64 OK 12 71 - 17 - 5012/4.4=2, 5016/4.0=2...(10) H ARG 69 + H LEU 64 OK 12 100 - 12 - 2609/3.6=2, 2606/3.6=2...(4) H GLY 72 + H LEU 64 OK 11 95 - 12 - 312/3.6=2, 3.6/262=2...(4) H VAL 76 + H LEU 64 OK 11 87 - 12 - 339/3.0=2, 3.0/4687=2...(4) H LYS 73 - H LEU 64 lone 6 85 - 7 - 789/3.6=2, 2606/3.6=1 Peak 262 from nnoeabs.peaks (4.06, 7.42, 119.17 ppm; 4.36 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 63 + H LEU 64 OK 100 100 - 100 - 3.6=100 HA GLU 59 - H LEU 64 OK 18 89 - 21 - 6099/4.7=7, 4645/5776=4...(5) HA ARG 71 - H LEU 64 OK 16 93 - 17 - 2610/3.6=3, 725/4.7=3...(7) HA ARG 26 - H LEU 64 OK 13 99 - 13 - 725/4.7=2, 2610/3.6=2...(5) HD2 PRO 44 - H LEU 64 OK 11 73 - 15 - 4925/4.0=2, 4.8/730=2...(5) HA VAL 90 - H LEU 64 lone 6 93 - 6 - 2610/3.6=1, 725/4.7=1 HA GLU 25 - H LEU 64 lone 3 65 - 5 - Peak 263 from nnoeabs.peaks (1.49, 7.42, 119.17 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.94: * QB ALA 63 + H LEU 64 OK 90 100 - 90 - 3.6=83, 2.9/934=18...(10) HB3 LEU 52 + H LEU 64 OK 42 95 - 45 - 2265=10, 3.0/2272=7...(10) HB3 LEU 57 - H LEU 64 OK 16 87 - 19 - 2446/4.0=2, 726/4.7=2...(7) HG2 LYS 73 - H LEU 64 lone 5 99 - 5 - 2608/3.6=1 Peak 264 from nnoeabs.peaks (7.42, 8.38, 117.58 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.84: * H LEU 64 + H VAL 65 OK 74 100 - 74 - 4.6=37, 5018/4.6=10...(13) H LEU 52 + H VAL 65 OK 29 97 - 30 - 5799/4.0=5, 668/4.0=5...(7) H LYS 39 + H VAL 65 OK 11 65 - 17 - 2612/3.6=3, 2619/4.4=2...(6) Peak 265 from nnoeabs.peaks (4.26, 8.38, 117.58 ppm; 4.23 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 64 + H VAL 65 OK 100 100 - 100 - 3.6=100 HA LYS 39 - H VAL 65 OK 24 97 - 25 - 1832/4.6=5, 2627/4.4=4...(6) HA ALA 20 - H VAL 65 OK 18 100 - 18 - 3725=5, 2.1/3726=2...(7) HA ARG 17 - H VAL 65 OK 13 87 - 15 - 2627/4.4=2, 2620/4.4=2...(5) HA ASP 38 - H VAL 65 OK 11 85 - 13 - 3.6/264=3, 3802/4.6=3...(4) HA SER 60 - H VAL 65 poor 10 87 - 12 - 4995/5785=3, 728/4.6=2...(4) HA LYS 75 - H VAL 65 poor 10 90 - 10 - 3.6/4709=2, 2620/4.4=1...(5) HA THR 15 - H VAL 65 lone 9 93 - 9 - 2620/4.4=1, 2627/4.4=1, 3713=1 HA GLU 19 - H VAL 65 lone 7 100 - 7 - 4.5/3726=1 HA LYS 83 - H VAL 65 lone 4 89 - 5 - HA ALA 12 - H VAL 65 lone 4 100 - 4 - HA ALA 77 - H VAL 65 lone 2 65 - 4 - HA THR 88 - H VAL 65 lone 2 83 - 2 - Peak 266 from nnoeabs.peaks (1.97, 8.38, 117.58 ppm; 3.42 A): 8 out of 10 assignments used, quality = 0.93: * HB2 LEU 64 + H VAL 65 OK 74 100 - 74 - 4.4=46, 4.0/264=13...(13) HG LEU 43 + H VAL 65 OK 28 89 - 31 - 2.1/269=6, 2.1/270=5...(11) QE MET 31 + H VAL 65 OK 21 87 - 24 - 5082/4.6=8, 5081/3.6=5...(6) HG LEU 57 + H VAL 65 OK 18 89 - 20 - 2.1/5795=9, 4730/4.0=3...(7) HG2 PRO 14 + H VAL 65 OK 15 95 - 16 - 2.3/735=3, ~1113=2...(6) HG3 PRO 14 + H VAL 65 OK 15 95 - 16 - 2.3/735=3, ~1113=2...(6) HB3 ARG 70 + H VAL 65 OK 12 89 - 14 - 4.1/4709=3, 2690/4.6=2...(6) HB2 ARG 70 + H VAL 65 OK 12 89 - 14 - 4.1/4709=3, 2690/4.6=2...(6) HB2 GLN 79 - H VAL 65 lone 3 100 - 3 - HB3 GLN 79 - H VAL 65 lone 2 76 - 2 - Peak 267 from nnoeabs.peaks (1.70, 8.38, 117.58 ppm; 3.85 A): 2 out of 12 assignments used, quality = 0.92: * HB3 LEU 64 + H VAL 65 OK 88 100 - 88 - 4.4=66, 1.8/3915=17...(14) HG3 ARG 66 + H VAL 65 OK 33 100 - 33 - 4.9/936=19, 6106/4.0=3...(7) HB2 LEU 43 - H VAL 65 OK 22 65 - 33 - 3.1/269=7, 3.1/270=6...(10) HB2 LEU 29 - H VAL 65 OK 20 85 - 24 - 3.1/269=4, 4.0/4709=3...(8) HG2 ARG 70 - H VAL 65 OK 19 97 - 19 - 744/4.6=4, 4.9/4709=3...(9) HG LEU 29 - H VAL 65 OK 19 76 - 25 - 2.1/269=5, 1499/4.4=3...(9) HB2 ARG 82 - H VAL 65 OK 12 100 - 12 - 2.9/268=2, 2615/3.6=2...(4) HB3 LYS 13 - H VAL 65 poor 9 90 - 10 - 4.8/735=2, 4819/3.0=1 HG2 ARG 23 - H VAL 65 poor 8 65 - 13 - 1.8/268=4, 2622/4.4=2...(4) HB3 LYS 83 - H VAL 65 lone 3 83 - 3 - HB3 LYS 85 - H VAL 65 lone 2 71 - 2 - HB2 ARG 84 - H VAL 65 lone 1 60 - 2 - Peak 268 from nnoeabs.peaks (1.54, 8.38, 117.58 ppm; 4.15 A): 6 out of 7 assignments used, quality = 0.91: * HG LEU 64 + H VAL 65 OK 71 100 - 71 - 3.0/3915=15, 4.8/264=15...(12) HG LEU 62 + H VAL 65 OK 29 68 - 43 - 4.3/4674=13, 5032/3.0=6...(13) HG2 LYS 39 + H VAL 65 OK 27 99 - 27 - 2616/3.6=6, 1862/4.6=5...(7) HG3 ARG 23 + H VAL 65 OK 22 100 - 22 - 2630/4.4=4, 2623/4.4=4...(7) HG2 ARG 82 + H VAL 65 OK 16 96 - 16 - 2616/3.6=3, 2630/4.4=2...(7) HB3 LEU 86 + H VAL 65 OK 11 76 - 15 - 3.1/269=3, 2616/3.6=2...(6) HB3 ARG 54 - H VAL 65 lone 9 99 - 9 - 2616/3.6=1, 731/4.6=1...(4) Peak 269 from nnoeabs.peaks (0.84, 8.38, 117.58 ppm; 4.15 A): 5 out of 5 assignments used, quality = 0.93: * QD2 LEU 64 + H VAL 65 OK 71 100 - 71 - 4.4/264=17, 3.1/3915=14...(12) QD1 LEU 43 + H VAL 65 OK 47 92 - 52 - 5357/3.6=9, 2.1/270=8...(14) QD2 LEU 29 + H VAL 65 OK 32 100 - 32 - 2617/3.6=5, 2631/4.4=5...(10) QD2 LEU 86 + H VAL 65 OK 18 96 - 18 - 2617/3.6=3, 2631/4.4=3...(6) QG2 ILE 89 + H VAL 65 OK 13 100 - 13 - 2617/3.6=2, 2631/4.4=2...(5) Peak 270 from nnoeabs.peaks (0.95, 8.38, 117.58 ppm; 4.20 A): 4 out of 5 assignments used, quality = 0.96: * QD1 LEU 64 + H VAL 65 OK 77 100 - 77 - 4.4/264=17, 3.1/3915=15...(11) QD2 LEU 43 + H VAL 65 OK 52 97 - 53 - 2.1/269=10, 2618/3.6=10...(13) QG2 ILE 40 + H VAL 65 OK 42 71 - 59 - ~5033=12, 1937/3.0=7...(17) QD2 LEU 62 + H VAL 65 OK 36 71 - 51 - 4.0/4674=14, 5001/3.8=7...(13) QG2 VAL 41 - H VAL 65 OK 26 83 - 31 - 5130/3.0=6, 4337/3.6=5...(8) Peak 271 from nnoeabs.peaks (8.38, 8.59, 117.85 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.84: * H VAL 65 + H ARG 66 OK 77 100 - 78 - 936=48, 2669/4.1=13...(12) H GLY 21 + H ARG 66 OK 18 100 - 18 - 2654/3.6=3, 2669/4.1=3...(7) H ARG 17 + H ARG 66 OK 11 99 - 11 - 2654/3.6=2, 2669/4.1=1...(4) H GLY 18 - H ARG 66 poor 10 87 - 11 - 2669/4.1=2, 2654/3.6=2...(4) H ALA 16 - H ARG 66 lone 2 60 - 3 - Peak 272 from nnoeabs.peaks (3.63, 8.59, 117.85 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 65 + H ARG 66 OK 100 100 - 100 - 3.6=100 HA ARG 69 + H ARG 66 OK 53 100 - 53 - 3.6/937=8, 2665/4.1=7...(17) HA ILE 40 - H ARG 66 OK 39 100 - 39 - 2665/4.1=8, 2670/4.1=8...(10) HD3 PRO 14 - H ARG 66 OK 25 93 - 26 - 1088/4.0=3, 735/4.6=3...(13) Peak 273 from nnoeabs.peaks (2.39, 8.59, 117.85 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.86: * HB VAL 65 + H ARG 66 OK 78 100 - 78 - 4.4=52, 3.8/936=22...(9) HG3 MET 11 + H ARG 66 OK 36 100 - 36 - 3921=11, 2656/3.6=6...(8) HG2 GLU 50 - H ARG 66 lone 7 87 - 8 - HG2 GLU 59 - H ARG 66 lone 6 97 - 6 - 2656/3.6=1 Peak 274 from nnoeabs.peaks (1.23, 8.59, 117.85 ppm; 3.66 A): 2 out of 5 assignments used, quality = 0.97: * QG1 VAL 65 + H ARG 66 OK 90 100 - 90 - 4.1=72, 4.0/936=22...(14) QG2 VAL 65 + H ARG 66 OK 73 83 - 89 - 4.1=72, 4.0/936=22...(12) HG2 ARG 69 - H ARG 66 OK 31 99 - 32 - 3.9/272=5, ~4733=4...(14) HG13 ILE 40 - H ARG 66 OK 27 100 - 27 - 1951/3.6=6, 3.2/4732=3...(9) HG13 ILE 33 - H ARG 66 OK 16 95 - 17 - 2657/3.6=3, 1672/4.6=2...(5) Peak 275 from nnoeabs.peaks (1.21, 8.59, 117.85 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.95: * QG2 VAL 65 + H ARG 66 OK 83 100 - 83 - 4.1=62, 4.0/936=20...(11) QG1 VAL 65 + H ARG 66 OK 69 83 - 83 - 4.1=62, 4.0/936=20...(13) HG13 ILE 40 - H ARG 66 OK 19 85 - 22 - 1951/3.6=4, 3.2/4732=3...(8) HG2 ARG 69 - H ARG 66 OK 17 63 - 27 - 3.9/272=4, ~4733=4...(11) HG LEU 52 - H ARG 66 OK 16 89 - 18 - 2658/3.6=3, 5.0/5801=3...(8) HG13 ILE 33 - H ARG 66 OK 15 99 - 15 - 2658/3.6=3, 1672/4.6=2...(5) QG2 THR 15 - H ARG 66 lone 2 81 - 3 - Peak 276 from nnoeabs.peaks (8.59, 7.93, 121.56 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.80: * H ARG 66 + H ASP 67 OK 80 100 - 80 - 4.6=47, 5812/4.6=13...(18) Peak 277 from nnoeabs.peaks (3.98, 7.93, 121.56 ppm; 4.19 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 66 + H ASP 67 OK 100 100 - 100 - 3.6=100 HA ARG 70 - H ASP 67 OK 35 71 - 50 - ~4792=9, 3.0/279=6...(17) HA LYS 32 - H ASP 67 OK 19 100 - 19 - 1554=3, 3.9/1584=2...(7) HA ALA 28 - H ASP 67 OK 17 85 - 20 - 3761=2, 5809/4.6=2...(8) HA VAL 76 - H ASP 67 OK 13 98 - 13 - 5809/4.6=2, 740/4.6=2 HA2 GLY 72 - H ASP 67 OK 11 93 - 12 - 5809/4.6=4 HA GLN 61 - H ASP 67 OK 11 96 - 11 - 740/4.6=3 HA GLU 50 - H ASP 67 poor 9 95 - 10 - ~4507=4, 740/4.6=1 HA2 GLY 21 - H ASP 67 lone 4 71 - 5 - HA3 GLY 21 - H ASP 67 lone 3 68 - 5 - Peak 278 from nnoeabs.peaks (1.88, 7.93, 121.56 ppm; 3.99 A): 3 out of 16 assignments used, quality = 0.92: * HB2 ARG 66 + H ASP 67 OK 85 100 - 85 - 4.6=63, 4.0/276=26...(14) HB ILE 68 + H ASP 67 OK 33 81 - 41 - 3.9/938=20, 2.1/5803=7...(7) HB2 ARG 26 + H ASP 67 OK 23 100 - 23 - 3.0/5808=4, 2676/3.6=3...(9) HB3 ARG 26 - H ASP 67 OK 23 100 - 23 - 3.0/5808=4, 2676/3.6=3...(9) HB3 PRO 14 - H ASP 67 OK 19 97 - 19 - 2.3/748=3, 3.0/5807=3...(7) HB3 ARG 71 - H ASP 67 OK 16 78 - 21 - 3.0/5808=6, 4.0/303=3...(6) HB2 ARG 71 - H ASP 67 OK 16 76 - 21 - 3.0/5808=6, 4.0/303=3...(6) HG12 ILE 40 - H ASP 67 OK 11 60 - 19 - 3.2/4741=4, 1.8/5804=3...(6) HB2 MET 11 - H ASP 67 lone 8 98 - 9 - 2676/3.6=2, 741/4.6=2, 1.8/280=2 HB3 ARG 27 - H ASP 67 lone 7 78 - 9 - HB2 ARG 27 - H ASP 67 lone 7 76 - 9 - HB2 LYS 39 - H ASP 67 lone 5 81 - 6 - 3.0/4737=2 HB3 ARG 23 - H ASP 67 lone 4 63 - 6 - HB3 PRO 34 - H ASP 67 lone 4 100 - 4 - HB2 ARG 23 - H ASP 67 lone 4 60 - 6 - HB2 GLN 91 - H ASP 67 lone 1 81 - 1 - Peak 279 from nnoeabs.peaks (1.94, 7.93, 121.56 ppm; 3.79 A): 3 out of 8 assignments used, quality = 0.95: * HB3 ARG 66 + H ASP 67 OK 81 100 - 81 - 4.6=54, 4.0/276=24...(17) HB2 ARG 70 + H ASP 67 OK 50 95 - 53 - 5051/3.0=6, ~5052=6...(20) HB3 ARG 70 + H ASP 67 OK 50 95 - 53 - 5051/3.0=6, ~5052=6...(20) HG13 ILE 68 - H ASP 67 OK 39 87 - 44 - 4.5/938=15, 5975/3.9=6...(11) HB2 MET 31 - H ASP 67 OK 28 99 - 28 - 3772=4, 4.3/5087=3...(12) HB VAL 41 - H ASP 67 OK 20 96 - 21 - 2.1/4741=4, 2.1/5803=4...(8) HG LEU 57 - H ASP 67 lone 7 95 - 7 - HB2 GLN 79 - H ASP 67 lone 4 71 - 5 - 6011/3.6=1, 1.8/280=1 Peak 280 from nnoeabs.peaks (2.01, 7.93, 121.56 ppm; 4.43 A): 9 out of 14 assignments used, quality = 0.93: * HG2 ARG 66 + H ASP 67 OK 69 100 - 69 - 4.9/276=25, 2.8/278=12...(15) QE MET 31 + H ASP 67 OK 25 81 - 31 - 5087=5, 3.3/3774=4...(11) HD3 ARG 69 + H ASP 67 OK 21 83 - 26 - 4.6/5807=5, 3.0/5804=4...(8) HD2 ARG 69 + H ASP 67 OK 21 83 - 26 - 4.6/5807=5, 3.0/5804=4...(8) HG LEU 43 + H ASP 67 OK 16 78 - 21 - 2.1/4741=6, 2.1/5803=5...(4) HG3 PRO 14 + H ASP 67 OK 13 68 - 20 - 2.3/5807=4, 2.3/278=3...(8) HG2 PRO 14 + H ASP 67 OK 13 68 - 20 - 2.3/5807=4, 2.3/278=3...(8) HB3 MET 11 + H ASP 67 OK 13 100 - 13 - 2678/3.6=3, 743/4.6=3...(5) HB3 GLN 79 + H ASP 67 OK 11 90 - 12 - 5038/4.6=3, 2678/3.6=2...(5) HB VAL 90 - H ASP 67 lone 9 99 - 9 - 3.0/5808=2, 2678/3.6=1...(4) HB3 GLU 19 - H ASP 67 lone 6 63 - 10 - 4.6/938=4, 3.0/4737=3 HB2 GLU 87 - H ASP 67 lone 5 81 - 6 - 4.0/938=3 HB3 PRO 56 - H ASP 67 lone 1 81 - 2 - HG2 PRO 56 - H ASP 67 lone 1 65 - 2 - Peak 281 from nnoeabs.peaks (1.70, 7.93, 121.56 ppm; 4.78 A): 3 out of 11 assignments used, quality = 0.97: * HG3 ARG 66 + H ASP 67 OK 78 100 - 78 - 4.9/276=29, 2707/3.6=16...(15) HG2 ARG 70 + H ASP 67 OK 65 95 - 69 - 5052/3.0=18, 2679/3.6=9...(19) HB3 LEU 64 + H ASP 67 OK 59 100 - 59 - 3.0/4737=18, 3.1/4741=15...(12) HB2 LEU 29 - H ASP 67 OK 17 81 - 21 - 3.0/1497=2, 1483=2...(8) HG LEU 29 - H ASP 67 OK 15 81 - 19 - 3.0/1483=2, 1497=2...(7) HB2 LEU 43 - H ASP 67 OK 15 60 - 24 - 3.1/4741=6, 3.1/5803=5...(5) HB3 LYS 13 - H ASP 67 lone 9 93 - 9 - 4.8/5807=3, 744/4.6=1 HB2 ARG 82 - H ASP 67 lone 8 100 - 8 - 2.9/5805=2 HG2 ARG 23 - H ASP 67 lone 6 71 - 9 - 2679/3.6=1 HB3 LYS 83 - H ASP 67 lone 4 78 - 5 - 3.0/4737=1 HB3 LYS 85 - H ASP 67 lone 3 65 - 4 - Peak 284 from nnoeabs.peaks (7.93, 8.44, 120.04 ppm; 3.33 A): 2 out of 6 assignments used, quality = 0.78: * H ASP 67 + H ILE 68 OK 68 100 - 68 - 4.6=39, 3.9/287=14...(15) H ARG 70 + H ILE 68 OK 31 78 - 40 - 4.6/288=9, 4792/3.6=8...(11) H LYS 32 - H ILE 68 lone 9 97 - 9 - 2730/3.6=1, 2734/4.6=1 H LEU 29 - H ILE 68 lone 8 81 - 9 - 3.6/5809=1, 908/4.7=1, 4.6/939=1 H VAL 76 - H ILE 68 poor 7 60 - 12 - 940/4.7=2, 3.0/5809=1...(5) H ILE 33 - H ILE 68 lone 3 71 - 5 - Peak 285 from nnoeabs.peaks (4.48, 8.44, 120.04 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 67 + H ILE 68 OK 100 100 - 100 - 3.6=100 HA ASP 46 - H ILE 68 OK 19 90 - 21 - 3931=6, 2735/4.6=4...(5) HA PRO 14 - H ILE 68 OK 12 78 - 16 - 5819/4.7=3, 3.6/4747=3...(6) HA ASP 24 - H ILE 68 lone 7 97 - 7 - 5819/4.7=2, 2735/4.6=1...(4) HA TYR 81 - H ILE 68 lone 4 89 - 5 - 5819/4.7=1 HA SER 22 - H ILE 68 lone 1 60 - 2 - Peak 286 from nnoeabs.peaks (2.90, 8.44, 120.04 ppm; 3.74 A): 3 out of 4 assignments used, quality = 0.84: * HB2 ASP 67 + H ILE 68 OK 77 100 - 77 - 4.6=53, 1.8/287=29...(7) HB3 PHE 35 + H ILE 68 OK 17 95 - 18 - 1.8/287=8, 2740/4.6=4...(4) HB2 ASN 49 + H ILE 68 OK 14 100 - 14 - 4488/3.6=7, 749/4.6=3 HB3 PHE 48 - H ILE 68 lone 5 90 - 5 - 2732/3.6=1 Peak 287 from nnoeabs.peaks (2.84, 8.44, 120.04 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.82: * HB3 ASP 67 + H ILE 68 OK 77 100 - 77 - 4.6=51, 1.8/286=25...(9) HB2 PHE 35 + H ILE 68 OK 21 95 - 22 - 2733/3.6=6, 1.8/286=6...(6) HB2 ASN 74 - H ILE 68 lone 1 65 - 1 - Peak 288 from nnoeabs.peaks (8.44, 7.98, 119.32 ppm; 3.49 A): 3 out of 3 assignments used, quality = 0.84: * H ILE 68 + H ARG 69 OK 73 100 - 73 - 4.7=42, 2749/4.4=10...(13) H GLU 87 + H ARG 69 OK 22 93 - 24 - 2742/3.6=4, 2749/4.4=4...(6) H ALA 20 + H ARG 69 OK 21 92 - 23 - 2742/3.6=4, 2756/4.1=3...(8) Peak 289 from nnoeabs.peaks (3.51, 7.98, 119.32 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + H ARG 69 OK 100 100 - 100 - 3.6=100 Peak 290 from nnoeabs.peaks (1.90, 7.98, 119.32 ppm; 3.33 A): 5 out of 12 assignments used, quality = 0.94: * HB ILE 68 + H ARG 69 OK 71 100 - 71 - 4.4=42, 2.1/291=12...(12) HG12 ILE 40 + H ARG 69 OK 46 99 - 47 - 1.8/762=8, 3.2/4326=7...(16) HG13 ILE 68 + H ARG 69 OK 44 65 - 68 - 5.0=30, 2.1/294=10...(15) HB3 PRO 14 + H ARG 69 OK 15 97 - 16 - 1113/2.9=3, 3.0/759=3...(6) HB2 ARG 66 + H ARG 69 OK 13 81 - 17 - 3.0/5378=4, 4.6/940=3...(6) HB3 GLU 87 - H ARG 69 lone 9 97 - 9 - 4.0/288=3, 1.8/5820=1 HB2 GLU 19 - H ARG 69 lone 7 95 - 7 - 4.6/288=3 HB3 ARG 26 - H ARG 69 lone 4 90 - 4 - HB2 ARG 26 - H ARG 69 lone 4 89 - 4 - HB3 PRO 34 - H ARG 69 lone 3 76 - 4 - HB2 MET 11 - H ARG 69 lone 3 96 - 3 - HB2 GLN 91 - H ARG 69 lone 2 100 - 2 - Peak 291 from nnoeabs.peaks (0.81, 7.98, 119.32 ppm; 3.61 A): 3 out of 6 assignments used, quality = 0.96: * QG2 ILE 68 + H ARG 69 OK 87 100 - 87 - 4.1=67, 4.0/288=13...(19) QG1 VAL 41 + H ARG 69 OK 56 95 - 60 - 4767/2.9=7, 4327=7...(20) QD1 ILE 68 + H ARG 69 OK 37 63 - 58 - 2.1/293=11, 5.0/288=10...(14) QD1 ILE 89 - H ARG 69 OK 15 100 - 15 - 5274/4.0=2, 4767/2.9=2...(5) QD1 LEU 43 - H ARG 69 OK 11 81 - 14 - 4703/2.9=1, 5831/4.6=1...(6) QD2 LEU 86 - H ARG 69 poor 8 73 - 11 - 4.9/288=3, 5831/4.6=1 Peak 292 from nnoeabs.peaks (0.92, 7.98, 119.32 ppm; 3.48 A): 3 out of 10 assignments used, quality = 0.96: * HG12 ILE 68 + H ARG 69 OK 78 100 - 78 - 5.0=34, 2764/3.6=20...(17) QG2 ILE 40 + H ARG 69 OK 67 98 - 68 - 4326=12, 4303/4.0=7...(22) QG2 VAL 41 + H ARG 69 OK 50 93 - 54 - 5130/2.9=8, 4328=6...(18) QG2 VAL 76 - H ARG 69 OK 39 100 - 39 - 3.9/940=6, 3.2/5379=4...(17) QG1 VAL 76 - H ARG 69 OK 39 100 - 39 - 3.9/940=6, 3.2/5379=4...(17) QD2 LEU 62 - H ARG 69 OK 23 98 - 24 - 3910=2, 3.1/3907=2...(11) QD2 LEU 43 - H ARG 69 poor 9 73 - 12 - ~4703=1 QG1 VAL 90 - H ARG 69 lone 4 81 - 4 - QG2 VAL 90 - H ARG 69 lone 3 78 - 4 - HG LEU 51 - H ARG 69 lone 2 60 - 4 - ~5680=1 Peak 293 from nnoeabs.peaks (1.92, 7.98, 119.32 ppm; 3.44 A): 4 out of 9 assignments used, quality = 0.95: * HG13 ILE 68 + H ARG 69 OK 73 100 - 73 - 5.0=33, 4.5/288=10...(15) HB ILE 68 + H ARG 69 OK 48 65 - 73 - 4.4=46, 2.1/291=13...(12) HB VAL 41 + H ARG 69 OK 40 99 - 40 - 2.1/294=9, 2.1/4328=5...(11) HG12 ILE 40 + H ARG 69 OK 40 85 - 47 - 1.8/762=8, 3.2/4326=8...(16) HB3 ARG 66 - H ARG 69 OK 18 87 - 20 - 3.0/5378=4, 4.6/940=3...(9) HB2 MET 31 - H ARG 69 lone 9 96 - 10 - 4.7/940=2, 4.0/86=1, 3772/4.6=1 HB3 GLU 87 - H ARG 69 lone 8 90 - 9 - 4.0/288=4, 1.8/5820=1 HB2 GLU 19 - H ARG 69 lone 7 93 - 8 - 4.6/288=3 HB2 GLN 91 - H ARG 69 lone 1 65 - 2 - Peak 294 from nnoeabs.peaks (0.78, 7.98, 119.32 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.94: * QD1 ILE 68 + H ARG 69 OK 67 100 - 67 - 2748/3.6=13, 2.1/293=12...(17) QG1 VAL 41 + H ARG 69 OK 59 92 - 64 - 4327=8, 2.1/4328=7...(18) QG2 ILE 68 + H ARG 69 OK 58 63 - 93 - 4.1=82, 4.0/288=15...(17) Peak 295 from nnoeabs.peaks (7.98, 7.95, 118.23 ppm; 2.73 A): 6 out of 6 assignments used, quality = 0.76: * H ARG 69 + H ARG 70 OK 42 100 - 42 - 4.6=21, 4.7/5826=4...(11) H GLY 72 + H ARG 70 OK 26 99 - 26 - 15492/3.6=10, 5397/4.6=6...(6) H LYS 73 + H ARG 70 OK 17 93 - 18 - 5987/2.9=6, 942/4.6=2...(6) H VAL 76 + H ARG 70 OK 15 76 - 20 - 3.6/3975=2, 3.0/3156=2...(7) H ALA 30 + H ARG 70 OK 14 100 - 13 - 79=6, 4.6/1483=1 H ALA 63 + H ARG 70 OK 11 100 - 11 - 4685/4.1=1, 4685/4.1=1 Peak 296 from nnoeabs.peaks (3.63, 7.95, 118.23 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 69 + H ARG 70 OK 100 100 - 100 - 3.6=100 HA VAL 65 + H ARG 70 OK 53 100 - 53 - 3.2/5829=8, 3.2/4714=7...(12) HA ILE 40 - H ARG 70 OK 40 100 - 40 - 2793/4.3=7, 2801/4.3=7...(9) HD3 PRO 14 - H ARG 70 OK 19 96 - 19 - 4820/4.3=4, 2801/4.3=3...(5) Peak 297 from nnoeabs.peaks (1.80, 7.95, 118.23 ppm; 3.63 A): 4 out of 13 assignments used, quality = 0.90: * HB2 ARG 69 + H ARG 70 OK 78 100 - 78 - 4.3=62, 1.8/298=10...(9) HB3 LYS 75 + H ARG 70 OK 31 92 - 34 - 4.0/5390=5, 3.0/3975=5...(13) HB2 LYS 73 + H ARG 70 OK 22 83 - 27 - 5061/2.9=4, 4.0/295=3...(12) HB3 LYS 73 + H ARG 70 OK 20 71 - 28 - 4.0/295=3, ~5061=3...(14) HB2 LYS 85 - H ARG 70 OK 18 100 - 18 - 4.0/5390=3, 1.8/770=2...(8) HB3 ARG 84 - H ARG 70 OK 16 100 - 16 - 4.6/5390=3, 1.8/770=2...(4) HB2 LYS 32 - H ARG 70 OK 15 60 - 25 - 3.0/1554=4, 2.9/1584=3...(9) HB3 LYS 32 - H ARG 70 OK 15 60 - 25 - 3.0/1554=4, 2.9/1584=3...(9) HB2 LYS 13 - H ARG 70 poor 10 95 - 10 - 2786/3.6=2, 2802/4.3=1...(4) HB3 LYS 39 - H ARG 70 poor 8 83 - 10 - 2786/3.6=1, 2802/4.3=1 HB2 LYS 83 - H ARG 70 lone 6 81 - 7 - 1.8/770=1 HB ILE 89 - H ARG 70 lone 5 81 - 6 - 3.2/5831=1 HB2 PRO 34 - H ARG 70 lone 2 76 - 3 - Peak 298 from nnoeabs.peaks (1.39, 7.95, 118.23 ppm; 3.96 A): 2 out of 13 assignments used, quality = 0.94: * HB3 ARG 69 + H ARG 70 OK 90 100 - 90 - 4.3=81, 1.8/3941=14...(12) HG3 ARG 69 + H ARG 70 OK 42 87 - 48 - 3.0/3941=11, 1.8/5829=9...(10) HG3 LYS 75 - H ARG 70 OK 32 100 - 33 - 4.8/5390=4, 2.7/297=4...(12) HG2 LYS 75 - H ARG 70 OK 32 100 - 33 - 4.8/5390=4, 2.7/297=4...(12) HG3 LYS 73 - H ARG 70 OK 29 99 - 30 - 5983/2.9=4, 4.9/295=3...(13) HG2 LYS 85 - H ARG 70 OK 15 89 - 17 - 4.8/5390=3, 2.9/297=2...(8) HG3 LYS 39 - H ARG 70 OK 11 97 - 11 - 2787/3.6=1, 2.9/297=1 QB ALA 20 - H ARG 70 lone 6 89 - 7 - 2.9/5826=3 QB ALA 77 - H ARG 70 lone 5 85 - 6 - 2.9/5433=3 QB ALA 53 - H ARG 70 lone 5 100 - 5 - HG2 LYS 83 - H ARG 70 lone 4 68 - 6 - HG2 LYS 13 - H ARG 70 lone 4 60 - 6 - 3.0/297=1 QB ALA 78 - H ARG 70 lone 3 99 - 3 - Peak 300 from nnoeabs.peaks (1.38, 7.95, 118.23 ppm; 3.90 A): 4 out of 13 assignments used, quality = 0.94: HB3 ARG 69 + H ARG 70 OK 77 87 - 88 - 4.3=77, 1.8/3941=14...(12) * HG3 ARG 69 + H ARG 70 OK 49 100 - 49 - 3.0/3941=11, 1.8/5829=9...(10) HG3 LYS 75 + H ARG 70 OK 30 95 - 32 - 4.8/5390=4, 2.7/297=4...(12) HG2 LYS 75 + H ARG 70 OK 30 95 - 32 - 4.8/5390=4, 2.7/297=4...(12) HG3 LYS 73 - H ARG 70 OK 28 97 - 29 - 5983/2.9=3, 4.9/295=3...(13) HG2 LYS 85 - H ARG 70 OK 17 100 - 17 - 4.8/5390=3, 2.9/297=2...(7) QB ALA 20 - H ARG 70 lone 7 100 - 7 - 2.9/5826=3 QB ALA 77 - H ARG 70 lone 7 100 - 7 - 2.9/5433=3 HG2 LYS 83 - H ARG 70 lone 6 99 - 6 - HG3 LYS 39 - H ARG 70 lone 6 63 - 9 - 2.9/297=1 QB ALA 53 - H ARG 70 lone 4 90 - 5 - QB ALA 78 - H ARG 70 lone 3 97 - 3 - QB ALA 16 - H ARG 70 lone 1 89 - 1 - Peak 303 from nnoeabs.peaks (7.95, 8.11, 117.98 ppm; 3.47 A): 6 out of 6 assignments used, quality = 0.87: * H ARG 70 + H ARG 71 OK 66 100 - 66 - 4.6=42, 3.6/5837=7...(13) H ASP 67 + H ARG 71 OK 25 78 - 32 - 3.0/5838=7, 3.6/304=4...(9) H LEU 29 + H ARG 71 OK 19 100 - 19 - 4184/2.9=5, 4.0/307=2...(7) H VAL 76 + H ARG 71 OK 17 99 - 18 - 2840/3.6=2, 3.6/3066=2...(6) H LYS 32 + H ARG 71 OK 15 96 - 16 - 2840/3.6=2, 3.0/304=2...(5) H ALA 63 + H ARG 71 OK 12 71 - 17 - 3.0/775=3, 725/2.9=2...(7) Peak 304 from nnoeabs.peaks (4.00, 8.11, 117.98 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 70 + H ARG 71 OK 100 100 - 100 - 3.6=100 HA ARG 66 - H ARG 71 OK 32 71 - 45 - 3.0/306=7, 4.1/307=5...(16) HA LYS 32 - H ARG 71 OK 13 71 - 18 - 3.0/303=3, 767/4.6=2...(7) HA ARG 54 - H ARG 71 lone 6 99 - 6 - HB2 SER 22 - H ARG 71 lone 5 98 - 5 - HA PHE 48 - H ARG 71 lone 3 65 - 4 - Peak 305 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.36 A): 4 out of 8 assignments used, quality = 0.94: * HB2 ARG 70 + H ARG 71 OK 66 100 - 66 - 4.4=44, 4.1/5390=10...(11) HB3 ARG 70 + H ARG 71 OK 66 100 - 66 - 4.4=44, 4.1/5390=10...(11) HB3 ARG 66 + H ARG 71 OK 40 95 - 43 - 3949=5, 2.8/307=5...(16) HB2 LEU 64 + H ARG 71 OK 11 89 - 12 - 1.8/307=2, 3.1/5834=1...(5) HB VAL 41 - H ARG 71 poor 7 71 - 10 - 2.1/5835=3, 2.1/5834=3, ~5186=1 HB2 MET 31 - H ARG 71 lone 5 85 - 6 - 4.7/303=1 HG LEU 57 - H ARG 71 lone 4 100 - 4 - HB2 GLN 79 - H ARG 71 lone 2 96 - 2 - Peak 306 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.36 A): 4 out of 8 assignments used, quality = 0.94: HB2 ARG 70 + H ARG 71 OK 66 100 - 66 - 4.4=44, 4.1/5390=10...(11) * HB3 ARG 70 + H ARG 71 OK 66 100 - 66 - 4.4=44, 4.1/5390=10...(11) HB3 ARG 66 + H ARG 71 OK 40 95 - 43 - 3949=5, 2.8/307=5...(16) HB2 LEU 64 + H ARG 71 OK 11 89 - 12 - 1.8/307=2, 3.1/5834=1...(5) HB VAL 41 - H ARG 71 poor 7 71 - 10 - 2.1/5835=3, 2.1/5834=3, ~5186=1 HB2 MET 31 - H ARG 71 lone 5 85 - 6 - 4.7/303=1 HG LEU 57 - H ARG 71 lone 4 100 - 4 - HB2 GLN 79 - H ARG 71 lone 2 96 - 2 - Peak 307 from nnoeabs.peaks (1.71, 8.11, 117.98 ppm; 4.04 A): 3 out of 10 assignments used, quality = 0.94: * HG2 ARG 70 + H ARG 71 OK 82 100 - 82 - 5.0=53, 2865/3.6=15...(17) HG3 ARG 66 + H ARG 71 OK 49 95 - 52 - 2.8/306=7, 2844/3.6=6...(16) HB2 LEU 29 + H ARG 71 OK 32 99 - 32 - 5348/2.9=6, 4.0/303=3...(14) HB3 LEU 64 - H ARG 71 OK 20 97 - 21 - 2844/3.6=3, 1.8/305=2...(7) HB3 LYS 85 - H ARG 71 OK 11 93 - 11 - 3443=2, 2844/3.6=2...(4) HB2 ARG 84 - H ARG 71 OK 10 87 - 12 - 2844/3.6=2, 770/4.6=1 HB2 LEU 43 - H ARG 71 lone 9 90 - 10 - 3.1/5835=2, 3.1/5834=2 HB3 LYS 83 - H ARG 71 lone 6 98 - 6 - 3443=1 HB2 ARG 82 - H ARG 71 lone 5 93 - 6 - HB3 LYS 13 - H ARG 71 lone 3 65 - 5 - 4.8/5837=1 Peak 308 from nnoeabs.peaks (1.61, 8.11, 117.98 ppm; 3.80 A): 3 out of 18 assignments used, quality = 0.97: HG2 ARG 71 + H ARG 71 OK 78 99 - 79 - 5.0=45, 1.8/2928=19...(20) * HG3 ARG 70 + H ARG 71 OK 74 100 - 74 - 5.0=44, 1.8/307=12...(13) HG2 ARG 26 + H ARG 71 OK 40 98 - 41 - 1.8/779=8, 3.7/775=6...(13) HD3 LYS 73 - H ARG 71 OK 23 100 - 23 - 6.1/942=2, 2920=2...(11) HD2 LYS 73 - H ARG 71 OK 23 100 - 23 - 6.1/942=2, 2920=2...(11) HD3 LYS 32 - H ARG 71 OK 22 100 - 22 - 2920=2, 1.8/2920=2...(10) HD2 LYS 32 - H ARG 71 OK 22 100 - 22 - 2920=2, 1.8/2920=2...(10) HG2 ARG 17 - H ARG 71 OK 21 99 - 22 - 2.9/779=2, 2932/5.0=2...(6) HG3 ARG 17 - H ARG 71 OK 21 99 - 22 - 2.9/779=2, 2932/5.0=2...(6) HG2 ARG 27 - H ARG 71 OK 18 85 - 21 - 5.0/5380=2, 2.9/777=2...(6) HG3 ARG 27 - H ARG 71 OK 18 83 - 21 - 5.0/5380=2, 2.9/777=2...(6) HB3 LEU 62 - H ARG 71 OK 13 73 - 18 - 1.8/779=3, 3.1/5834=2...(5) HB2 LEU 86 - H ARG 71 OK 12 100 - 12 - 3.1/5835=1 HG2 ARG 84 - H ARG 71 OK 11 85 - 13 - 3.0/307=1 HG3 ARG 84 - H ARG 71 OK 11 85 - 13 - 3.0/307=1 HG LEU 86 - H ARG 71 OK 11 93 - 11 - 2.1/5835=1, 2.1/5367=1 HB3 LEU 51 - H ARG 71 lone 5 95 - 5 - HD2 LYS 39 - H ARG 71 lone 2 60 - 3 - Peak 312 from nnoeabs.peaks (4.08, 7.99, 106.73 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 71 + H GLY 72 OK 100 100 - 100 - 3.6=100 HA ARG 26 - H GLY 72 OK 26 99 - 27 - 2929/5.0=5, 775/4.7=4...(11) HA ALA 63 - H GLY 72 OK 19 93 - 20 - 2606=3, 775/4.7=2...(7) HA GLU 25 - H GLY 72 OK 11 95 - 12 - 3.6/5397=3, 775/4.7=2...(4) HA VAL 90 - H GLY 72 lone 3 100 - 3 - Peak 313 from nnoeabs.peaks (1.85, 7.99, 106.73 ppm; 3.67 A): 5 out of 14 assignments used, quality = 0.95: HB3 ARG 71 + H GLY 72 OK 73 100 - 73 - 4.4=57, 4.0/5397=14...(9) * HB2 ARG 71 + H GLY 72 OK 73 100 - 73 - 4.4=57, 4.0/5397=14...(9) HB2 LYS 75 + H GLY 72 OK 17 97 - 17 - 4.0/5397=4, 1.8/5841=2...(7) HB2 ARG 26 + H GLY 72 OK 10 65 - 16 - 3.0/312=4, 3.9/5397=2...(6) HB2 ARG 66 + H GLY 72 OK 10 76 - 14 - 1.8/5842=3, 3.0/783=2, 777/4.7=2 HB3 ARG 26 - H GLY 72 poor 10 63 - 16 - 3.0/312=4, 3.9/5397=2...(6) HB2 ARG 27 - H GLY 72 lone 9 100 - 9 - 3.0/5386=1, 777/4.7=1 HB3 ARG 27 - H GLY 72 lone 9 100 - 9 - 3.0/5386=1, 776/4.7=1 HB2 ARG 17 - H GLY 72 lone 7 95 - 7 - 2930/5.0=1 HB2 LYS 39 - H GLY 72 lone 6 100 - 6 - HB ILE 89 - H GLY 72 lone 5 60 - 8 - 3.2/5056=2 HB3 ARG 23 - H GLY 72 lone 5 100 - 5 - HB2 ARG 23 - H GLY 72 lone 5 99 - 5 - HB3 PRO 34 - H GLY 72 lone 4 81 - 5 - Peak 314 from nnoeabs.peaks (1.85, 7.99, 106.73 ppm; 3.67 A): 2 out of 13 assignments used, quality = 0.92: * HB3 ARG 71 + H GLY 72 OK 73 100 - 73 - 4.4=57, 4.0/5397=14...(9) HB2 ARG 71 + H GLY 72 OK 73 100 - 73 - 4.4=57, 4.0/5397=14...(9) HB2 LYS 75 - H GLY 72 OK 16 97 - 17 - 4.0/5397=4, 1.8/5841=2...(7) HB2 ARG 26 - H GLY 72 OK 11 68 - 16 - 3.0/312=4, 3.9/5397=2...(7) HB2 ARG 66 - H GLY 72 OK 11 78 - 14 - 1.8/5842=3, 3.0/783=2, 777/4.7=2 HB3 ARG 26 - H GLY 72 OK 10 65 - 16 - 3.0/312=4, 3.9/5397=2...(7) HB2 ARG 27 - H GLY 72 lone 9 100 - 9 - 3.0/5386=1, 777/4.7=1 HB3 ARG 27 - H GLY 72 lone 9 100 - 9 - 3.0/5386=1, 776/4.7=1 HB2 ARG 17 - H GLY 72 lone 6 93 - 7 - 2930/5.0=1 HB2 LYS 39 - H GLY 72 lone 6 100 - 6 - HB3 ARG 23 - H GLY 72 lone 5 99 - 5 - HB2 ARG 23 - H GLY 72 lone 5 99 - 5 - HB3 PRO 34 - H GLY 72 lone 4 83 - 5 - Peak 320 from nnoeabs.peaks (3.96, 8.00, 120.49 ppm; 3.75 A): 2 out of 10 assignments used, quality = 1.00: * HA2 GLY 72 + H LYS 73 OK 100 100 - 100 - 3.6=100 HA VAL 76 + H LYS 73 OK 46 100 - 46 - ~16037=11, ~15432=11...(16) HA LYS 32 - H LYS 73 OK 18 93 - 19 - 3.0/788=3, 3.0/788=3...(7) HA ALA 28 - H LYS 73 OK 12 100 - 13 - 3.6/908=3, 2956/3.6=1, 783/4.5=1 HA GLN 61 - H LYS 73 lone 10 100 - 9 - 3.0/5759=2, 3.6/933=1 HA ARG 66 - H LYS 73 lone 8 93 - 8 - 5378/4.5=2, 2956/3.6=1, 5378=1 HA GLU 50 - H LYS 73 lone 5 100 - 5 - HA2 GLY 21 - H LYS 73 lone 3 97 - 3 - HA3 GLY 21 - H LYS 73 lone 3 96 - 3 - HA THR 37 - H LYS 73 lone 3 65 - 4 - Peak 321 from nnoeabs.peaks (3.74, 8.00, 120.49 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 72 + H LYS 73 OK 100 100 - 100 - 3.6=100 Peak 322 from nnoeabs.peaks (8.00, 8.15, 119.01 ppm; 4.31 A): 2 out of 10 assignments used, quality = 0.92: * H LYS 73 + H ASN 74 OK 89 100 - 89 - 4.5=85, 787/4.3=13...(4) H GLY 72 + H ASN 74 OK 29 99 - 29 - 4.5/944=13, 5397/4.6=4...(6) H ARG 69 - H ASN 74 OK 16 93 - 18 - 5825/4.6=6, 2968/4.3=3...(7) H ALA 30 - H ARG 26 OK 13 50 - 26 - 5387/3.6=6, 5387/3.0=5...(7) H GLY 72 - H ARG 26 OK 12 57 - 21 - 312/3.0=6, 3.6/6153=3...(9) H ALA 30 - H ASN 74 lone 7 93 - 7 - 80/3.6=2 H LYS 73 - H ARG 26 poor 6 58 - 10 - 944=3, 3954/3.0=1 H ALA 63 - H ARG 26 lone 4 43 - 10 - 725/3.0=3, 256/4.9=1 H ALA 63 - H ASN 74 lone 4 85 - 5 - H ARG 69 - H ARG 26 lone 3 50 - 5 - Peak 323 from nnoeabs.peaks (4.18, 8.15, 119.01 ppm; 3.78 A): 1 out of 18 assignments used, quality = 0.99: * HA LYS 73 + H ASN 74 OK 99 99 - 100 - 3.6=100 HA ILE 89 - H ASN 74 OK 16 90 - 17 - 3599/4.3=3, 3.0/324=3...(7) HA ALA 78 - H ASN 74 OK 10 81 - 13 - 4.9/3989=3, 3182=2...(5) HA ARG 84 - H ASN 74 lone 10 100 - 10 - 3963=2, 786/4.5=2, 2969/4.3=2 HA LEU 29 - H ARG 26 poor 6 34 - 16 - ~5348=2, 4.0/5367=2...(8) HA ARG 82 - H ASN 74 lone 5 98 - 5 - 6051/4.3=1, 786/4.5=1 HA LEU 29 - H ASN 74 lone 5 71 - 7 - 786/4.5=2 HA GLN 79 - H ASN 74 lone 4 96 - 5 - HA LYS 73 - H ARG 26 lone 4 56 - 7 - 3.0/944=1, 3963=1 HA ARG 84 - H ARG 26 lone 4 58 - 6 - HA ILE 89 - H ARG 26 lone 3 47 - 7 - 3597/4.6=3, 3.2/5998=1 HA ALA 53 - H ASN 74 lone 3 78 - 4 - HB THR 15 - H ASN 74 lone 1 87 - 1 - HB THR 15 - H ARG 26 lone 1 44 - 3 - 1132/4.6=1 HA ARG 82 - H ARG 26 lone 1 55 - 2 - HA GLN 79 - H ARG 26 lone 1 52 - 2 - HA ALA 78 - H ARG 26 lone 1 40 - 2 - HA ALA 53 - H ARG 26 lone 0 39 - 1 - Peak 324 from nnoeabs.peaks (1.82, 8.15, 119.01 ppm; 4.05 A): 5 out of 18 assignments used, quality = 0.95: * HB2 LYS 73 + H ASN 74 OK 90 100 - 90 - 4.3=84, 4.0/944=13...(7) HB ILE 89 + H ASN 74 OK 24 100 - 24 - 3605/3.6=6, 3604=4...(8) HB2 LYS 75 + H ASN 74 OK 17 83 - 20 - 803/4.6=5, 1.8/325=3...(9) HB2 LYS 85 + H ASN 74 OK 11 83 - 14 - ~6055=3, 787/4.5=2...(5) HB2 ARG 69 + H ASN 74 OK 11 83 - 13 - 787/4.5=3, 4.0/322=2...(5) HB3 ARG 84 - H ASN 74 lone 6 83 - 8 - 3384/3.6=2, 3.0/323=2, 787/4.5=1 HB ILE 89 - H ARG 26 lone 5 58 - 9 - 3604/4.6=3, 2.1/5998=2 HB2 LYS 73 - H ARG 26 lone 4 58 - 6 - 4.0/944=1 HB2 ARG 17 - H ARG 26 lone 3 46 - 7 - HB3 ARG 84 - H ARG 26 lone 2 42 - 6 - HB2 ARG 23 - H ARG 26 lone 2 36 - 6 - 3.0/5341=3 HB2 ARG 17 - H ASN 74 lone 2 89 - 2 - HB3 ARG 23 - H ARG 26 lone 2 34 - 6 - 3.0/5341=3 HB2 ARG 23 - H ASN 74 lone 2 73 - 2 - HB3 ARG 23 - H ASN 74 lone 2 71 - 2 - HB2 ARG 69 - H ARG 26 lone 1 42 - 3 - HB2 LYS 85 - H ARG 26 lone 1 42 - 2 - HB2 LYS 75 - H ARG 26 lone 1 42 - 2 - Peak 325 from nnoeabs.peaks (1.78, 8.15, 119.01 ppm; 3.98 A): 2 out of 36 assignments used, quality = 0.92: * HB3 LYS 73 + H ASN 74 OK 88 100 - 88 - 4.3=80, 1.8/324=18...(7) HB2 LEU 57 + H ASN 74 OK 33 97 - 34 - 2435=9, 1.8/2442=7...(8) HG3 ARG 26 - H ARG 26 OK 20 28 - 71 - 4.9=53, 1.8/1382=5...(19) HB3 LYS 75 - H ASN 74 OK 19 97 - 20 - 804/4.6=4, 1.8/324=3...(9) HG3 ARG 71 - H ARG 26 OK 11 33 - 33 - 2929/3.0=5, ~2921=3...(16) HB2 LYS 83 - H ASN 74 lone 9 100 - 9 - ~6055=2, 6053/3.0=1 HB2 ARG 69 - H ASN 74 poor 8 71 - 12 - 2792/4.5=2, 4.0/322=2...(5) HB2 LYS 85 - H ASN 74 poor 8 71 - 11 - ~6055=2, 2.9/327=1...(5) HB3 LYS 39 - H ASN 74 lone 7 100 - 7 - 804/4.6=2 HB2 LYS 32 - H ASN 74 lone 7 100 - 7 - 788/4.5=2, 3242/3.6=2 HB3 LYS 32 - H ASN 74 lone 7 100 - 7 - 788/4.5=2, 3242/3.6=2 HB2 LEU 57 - H ARG 26 poor 6 53 - 11 - 2435=3, 1.8/2442=2...(5) HG3 ARG 71 - H ASN 74 lone 6 68 - 9 - 5.0/322=3, 3.8/6153=2 HB2 LYS 13 - H ASN 74 lone 6 96 - 6 - 804/4.6=1 HG2 PRO 34 - H ASN 74 lone 6 87 - 6 - 4859/4.0=2 HB ILE 33 - H ASN 74 lone 5 98 - 5 - 1657/2456=1 HB3 ARG 84 - H ASN 74 lone 4 71 - 6 - 3.0/323=2, 3384/3.6=2 HB3 ARG 82 - H ASN 74 lone 4 96 - 5 - HB2 PRO 34 - H ASN 74 lone 4 100 - 4 - HB2 PRO 34 - H ARG 26 lone 4 58 - 7 - 1709/3.9=1, 1709/3.9=1 HG2 PRO 34 - H ARG 26 lone 3 44 - 8 - 1723/3.9=2, 1723/3.9=2 HB3 LYS 73 - H ARG 26 lone 3 58 - 6 - 4.0/944=1 HB2 ARG 54 - H ASN 74 lone 3 96 - 3 - HG3 ARG 26 - H ASN 74 lone 3 60 - 4 - 3.7/6153=1 HB2 LYS 32 - H ARG 26 lone 2 57 - 4 - HB3 LYS 32 - H ARG 26 lone 2 57 - 4 - HB3 ARG 84 - H ARG 26 lone 2 34 - 5 - HB ILE 33 - H ARG 26 lone 1 55 - 2 - HB3 LYS 39 - H ARG 26 lone 1 57 - 2 - HB3 LYS 75 - H ARG 26 lone 1 54 - 2 - HB2 LYS 83 - H ARG 26 lone 1 57 - 2 - HB3 ARG 82 - H ARG 26 lone 1 52 - 2 - HB2 ARG 54 - H ARG 26 lone 1 52 - 2 - HB2 LYS 13 - H ARG 26 lone 1 52 - 2 - HB2 ARG 69 - H ARG 26 lone 1 34 - 2 - HB2 LYS 85 - H ARG 26 lone 1 34 - 2 - Peak 327 from nnoeabs.peaks (1.39, 8.15, 119.01 ppm; 4.94 A): 5 out of 26 assignments used, quality = 0.94: QB ALA 77 + H ASN 74 OK 65 96 - 69 - 16041/3.0=42...(13) * HG3 LYS 73 + H ASN 74 OK 53 100 - 53 - 2.9/324=20, 4.9/944=16...(9) HG3 LYS 75 + H ASN 74 OK 29 100 - 29 - 806/4.6=4, 2.7/324=4...(12) HG2 LYS 75 + H ASN 74 OK 29 100 - 29 - 806/4.6=4, 2.7/324=4...(12) HB3 ARG 69 + H ASN 74 OK 24 99 - 24 - 2800/4.5=5, 2802/4.3=4...(7) QB ALA 78 - H ASN 74 OK 24 100 - 24 - 6040/3.0=6, 4.6/3989=5...(6) HG3 ARG 69 - H ASN 74 OK 22 97 - 22 - 2816/4.5=4, 2818/4.3=3...(7) HG2 LYS 85 - H ASN 74 OK 20 97 - 21 - ~6055=3, 790/4.5=3...(9) HG2 LYS 83 - H ASN 74 OK 11 85 - 13 - ~6055=3, 2.9/325=1, 6041/3.0=1 HG3 LYS 39 - H ASN 74 OK 11 89 - 12 - 805/4.6=2, 1875/4.3=2...(5) QB ALA 53 - H ASN 74 lone 9 100 - 9 - 2297/3.6=2, 790/4.5=1 QB ALA 20 - H ASN 74 lone 5 97 - 5 - HG3 LYS 73 - H ARG 26 lone 5 58 - 8 - 4.9/944=1 QB ALA 77 - H ARG 26 lone 4 52 - 7 - 2.9/5858=1 QB ALA 78 - H ARG 26 lone 3 58 - 5 - HB3 ARG 69 - H ARG 26 lone 2 56 - 4 - HG3 ARG 69 - H ARG 26 lone 2 53 - 4 - HG2 LYS 85 - H ARG 26 lone 2 54 - 3 - QB ALA 20 - H ARG 26 lone 2 54 - 3 - QB ALA 16 - H ASN 74 lone 2 63 - 3 - HG2 LYS 75 - H ARG 26 lone 2 58 - 3 - HG3 LYS 75 - H ARG 26 lone 2 58 - 3 - QB ALA 53 - H ARG 26 lone 2 57 - 3 - HG3 LYS 39 - H ARG 26 lone 2 46 - 3 - HG2 LYS 83 - H ARG 26 lone 1 43 - 3 - QB ALA 16 - H ARG 26 lone 1 30 - 3 - Peak 333 from nnoeabs.peaks (4.62, 8.09, 121.69 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HA ASN 74 + H LYS 75 OK 100 100 - 100 - 3.6=100 HA ASN 80 - H LYS 75 OK 16 99 - 16 - 3972=5, 796/4.6=3...(5) HA ASN 80 - H LYS 85 lone 5 52 - 10 - 3972=2, 6055/4.0=2, ~6154=1 HA ASN 74 - H LYS 85 lone 4 54 - 7 - 6055/4.0=2, 3972=2 HA PRO 36 - H LYS 75 lone 2 98 - 2 - HA PRO 36 - H LYS 85 lone 0 50 - 1 - Peak 334 from nnoeabs.peaks (2.81, 8.09, 121.69 ppm; 4.16 A): 2 out of 8 assignments used, quality = 0.89: * HB2 ASN 74 + H LYS 75 OK 80 100 - 80 - 4.6=73, 797/4.6=12...(6) HB3 ASN 74 + H LYS 75 OK 44 57 - 77 - 4.6=73, 797/4.6=7, 5855/4.6=5 HB2 TYR 55 - H LYS 75 lone 6 97 - 6 - 5855/4.6=2, 3050/3.6=1 HB2 ASN 74 - H LYS 85 lone 3 54 - 6 - 3.0/3972=2, 3973=1 HB3 ASP 67 - H LYS 75 lone 3 65 - 4 - HB3 ASN 74 - H LYS 85 lone 1 24 - 5 - 3.0/3972=2, 1.8/3973=1 HB2 TYR 55 - H LYS 85 lone 1 49 - 1 - HB3 ASP 67 - H LYS 85 lone 0 28 - 2 - Peak 335 from nnoeabs.peaks (2.78, 8.09, 121.69 ppm; 4.29 A): 3 out of 12 assignments used, quality = 0.92: * HB3 ASN 74 + H LYS 75 OK 84 100 - 84 - 4.6=80, 798/4.6=12...(6) HB2 ASN 74 + H LYS 75 OK 48 57 - 83 - 4.6=80, 798/4.6=7...(6) HB3 ASN 80 + H LYS 75 OK 11 71 - 16 - 3.0/333=5, 6012/3.6=3...(6) HB2 TYR 55 - H LYS 75 lone 4 83 - 5 - 5855/4.6=1 HB3 ASN 74 - H LYS 85 lone 4 54 - 7 - 3.0/3972=2, 1.8/3973=1 HB3 ASN 42 - H LYS 75 lone 3 78 - 3 - HB3 ASN 80 - H LYS 85 lone 3 31 - 8 - 3.0/3972=2, ~5869=2, 5875/2.9=1 HB2 ASN 42 - H LYS 75 lone 2 73 - 3 - HB2 ASN 74 - H LYS 85 lone 1 24 - 6 - 3.0/3972=2 HB3 ASN 42 - H LYS 85 lone 1 35 - 2 - HB2 ASN 42 - H LYS 85 lone 1 33 - 2 - HB2 TYR 55 - H LYS 85 lone 0 38 - 1 - Peak 339 from nnoeabs.peaks (4.24, 7.96, 120.67 ppm; 3.08 A): 4 out of 11 assignments used, quality = 0.87: * HA LYS 75 + H VAL 76 OK 76 100 - 76 - 3.6=64, 3.0/340=8...(11) HA ALA 77 + H VAL 76 OK 29 97 - 31 - 3.0/5411=10, ~349=4...(9) HA LYS 39 + H VAL 76 OK 16 99 - 16 - 1834/4.6=3, 3.0/340=2...(7) HA LEU 64 + H VAL 76 OK 11 90 - 12 - 3.9/5012=1, 3.0/261=1...(4) HA LYS 85 - H VAL 76 lone 8 92 - 8 - 3423/4.6=1 HA LYS 83 - H VAL 76 lone 7 100 - 6 - HA THR 15 - H VAL 76 lone 3 100 - 3 - HB THR 37 - H VAL 76 lone 3 81 - 3 - HA ALA 20 - H VAL 76 lone 3 89 - 3 - HA GLU 19 - H VAL 76 lone 2 95 - 2 - HA ALA 12 - H VAL 76 lone 2 93 - 2 - Peak 340 from nnoeabs.peaks (1.84, 7.96, 120.67 ppm; 3.70 A): 3 out of 11 assignments used, quality = 0.83: * HB2 LYS 75 + H VAL 76 OK 71 100 - 71 - 4.6=51, 3.0/3975=17...(12) HB2 LYS 73 + H VAL 76 OK 24 83 - 29 - 3.0/5431=6, 5853/3.0=4...(10) HB2 LYS 39 + H VAL 76 OK 21 96 - 22 - 3068/3.6=5, 3.0/339=3...(9) HB2 ARG 71 - H VAL 76 lone 9 97 - 10 - 4.0/303=3, 3068/3.6=1, 803/4.6=1 HB3 ARG 71 - H VAL 76 lone 9 97 - 10 - 4.0/303=3, 3068/3.6=1, 803/4.6=1 HB2 ARG 27 - H VAL 76 lone 8 97 - 8 - 4.3/5411=3, 3.0/5386=1 HB3 ARG 27 - H VAL 76 lone 8 97 - 8 - 4.3/5411=3, 3.0/5386=1 HB ILE 89 - H VAL 76 lone 4 85 - 5 - HB3 ARG 23 - H VAL 76 lone 4 100 - 4 - HB2 ARG 23 - H VAL 76 lone 4 100 - 4 - HB2 ARG 17 - H VAL 76 lone 2 100 - 2 - Peak 341 from nnoeabs.peaks (1.79, 7.96, 120.67 ppm; 3.78 A): 3 out of 16 assignments used, quality = 0.92: * HB3 LYS 75 + H VAL 76 OK 75 100 - 76 - 4.6=55, 3.0/3975=18...(11) HB2 ARG 69 + H VAL 76 OK 56 92 - 61 - 3941=10, 1.8/3942=7...(22) HB3 LYS 73 + H VAL 76 OK 29 97 - 30 - 3.0/5431=6, ~5853=3...(11) HB3 LYS 39 - H VAL 76 OK 20 100 - 21 - 3069/3.6=4, 3.0/339=3...(6) HB3 LYS 32 - H VAL 76 OK 15 93 - 16 - 3.0/812=2, 2.9/1584=2...(5) HB2 LYS 32 - H VAL 76 OK 15 93 - 16 - 3.0/812=2, 2.9/1584=2...(5) HB2 LYS 85 - H VAL 76 OK 12 92 - 13 - 3069/3.6=2, 3.0/339=2...(4) HB2 LYS 83 - H VAL 76 lone 9 99 - 9 - 3.0/339=1, 3069/3.6=1 HB2 LYS 13 - H VAL 76 lone 9 100 - 9 - 3069/3.6=3, 804/4.6=1 HB3 ARG 84 - H VAL 76 lone 7 92 - 8 - 3.0/5431=2, 4.0/5411=1 HB2 LEU 57 - H VAL 76 lone 5 81 - 6 - HB ILE 33 - H VAL 76 lone 4 85 - 4 - HB2 PRO 34 - H VAL 76 lone 2 99 - 2 - HB3 ARG 82 - H VAL 76 lone 2 78 - 3 - HB2 ARG 54 - H VAL 76 lone 2 78 - 2 - HG2 PRO 34 - H VAL 76 lone 1 63 - 2 - Peak 349 from nnoeabs.peaks (3.97, 8.23, 126.87 ppm; 3.17 A): 2 out of 9 assignments used, quality = 0.85: * HA VAL 76 + H ALA 77 OK 83 100 - 83 - 3.6=70, 3.0/5411=10...(10) HA ALA 28 + H ALA 77 OK 10 97 - 11 - 1470=2, 3.6/76=2...(4) HA2 GLY 21 - H ALA 77 poor 9 90 - 10 - 1.8/3727=1, 3727=1 HA3 GLY 21 - H ALA 77 poor 9 89 - 10 - 1.8/3727=1, 3727=1 HA2 GLY 72 - H ALA 77 lone 6 100 - 6 - 4796/4.3=1, 4796/4.3=1 HA GLU 50 - H ALA 77 lone 5 100 - 5 - HA ARG 66 - H ALA 77 lone 4 98 - 4 - HA LYS 32 - H ALA 77 lone 4 98 - 4 - 812/4.5=1 HA GLN 61 - H ALA 77 lone 3 100 - 3 - Peak 350 from nnoeabs.peaks (2.04, 8.23, 126.87 ppm; 3.73 A): 3 out of 16 assignments used, quality = 0.87: * HB VAL 76 + H ALA 77 OK 81 100 - 81 - 4.4=59, 3.0/349=20...(11) HD2 ARG 69 + H ALA 77 OK 16 93 - 18 - 3158/3.6=4, 813/4.5=4...(7) HD3 ARG 69 + H ALA 77 OK 16 93 - 18 - 3158/3.6=4, 813/4.5=4...(7) HB2 GLU 25 - H ALA 77 lone 7 98 - 7 - HB3 GLU 25 - H ALA 77 lone 7 97 - 7 - HB3 GLU 50 - H ALA 77 lone 7 100 - 7 - 3158/3.6=1, 3.0/349=1 HB2 GLU 50 - H ALA 77 lone 7 100 - 7 - 3158/3.6=1, 3.0/349=1 HB3 MET 31 - H ALA 77 lone 7 68 - 10 - 3.0/6117=3, 3158/3.6=2 HB3 GLU 19 - H ALA 77 lone 4 99 - 4 - HB VAL 90 - H ALA 77 lone 4 68 - 5 - HB3 PRO 56 - H ALA 77 lone 2 95 - 3 - HG2 PRO 44 - H ALA 77 lone 2 100 - 2 - HB2 GLU 87 - H ALA 77 lone 2 95 - 2 - HG2 PRO 56 - H ALA 77 lone 1 99 - 1 - HB3 GLN 91 - H ALA 77 lone 1 100 - 1 - HB VAL 45 - H ALA 77 lone 1 81 - 1 - Peak 351 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 3.76 A): 2 out of 10 assignments used, quality = 0.98: QG2 VAL 76 + H ALA 77 OK 85 100 - 85 - 4.3=66, 3.2/349=20...(13) * QG1 VAL 76 + H ALA 77 OK 85 100 - 85 - 4.3=66, 3.2/349=20...(13) HG12 ILE 68 - H ALA 77 lone 10 100 - 10 - 5.0/5433=2, 3160/3.6=2 QG2 VAL 41 - H ALA 77 lone 8 93 - 9 - 4336/3.6=2, 814/4.5=2 QG2 ILE 40 - H ALA 77 lone 8 98 - 8 - 4326/4.5=2, 3160/3.6=1 QG1 VAL 90 - H ALA 77 lone 5 81 - 6 - QG2 VAL 90 - H ALA 77 lone 5 78 - 6 - QD2 LEU 62 - H ALA 77 lone 5 98 - 5 - QD2 LEU 43 - H ALA 77 lone 2 73 - 2 - HG LEU 51 - H ALA 77 lone 1 60 - 2 - Peak 352 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 3.76 A): 2 out of 10 assignments used, quality = 0.98: * QG2 VAL 76 + H ALA 77 OK 85 100 - 85 - 4.3=66, 3.2/349=20...(13) QG1 VAL 76 + H ALA 77 OK 85 100 - 85 - 4.3=66, 3.2/349=20...(13) HG12 ILE 68 - H ALA 77 lone 10 100 - 10 - 5.0/5433=2, 3160/3.6=2 QG2 VAL 41 - H ALA 77 lone 8 93 - 9 - 4336/3.6=2, 814/4.5=2 QG2 ILE 40 - H ALA 77 lone 8 98 - 8 - 4326/4.5=2, 3160/3.6=1 QG1 VAL 90 - H ALA 77 lone 5 81 - 6 - QG2 VAL 90 - H ALA 77 lone 5 78 - 6 - QD2 LEU 62 - H ALA 77 lone 5 98 - 5 - QD2 LEU 43 - H ALA 77 lone 2 73 - 2 - HG LEU 51 - H ALA 77 lone 1 60 - 2 - Peak 354 from nnoeabs.peaks (4.23, 8.15, 122.77 ppm; 2.99 A): 2 out of 12 assignments used, quality = 0.89: * HA ALA 77 + H ALA 78 OK 71 100 - 71 - 3.6=59, 2.1/355=12...(9) HA ALA 78 + H ALA 78 OK 63 63 - 100 - 2.9=100 HA LYS 75 - H ALA 78 lone 5 97 - 5 - 817/4.6=2 HA LYS 85 - H ALA 78 lone 3 100 - 3 - HA LYS 83 - H ALA 78 lone 3 98 - 3 - HA ALA 20 - H ALA 78 lone 2 65 - 3 - HA THR 15 - H ALA 78 lone 1 96 - 1 - HB THR 37 - H ALA 78 lone 1 97 - 1 - HA LYS 39 - H ALA 78 lone 1 90 - 1 - HA GLU 19 - H ALA 78 lone 1 76 - 1 - HA ALA 12 - H ALA 78 lone 1 73 - 1 - HA LEU 64 - H ALA 78 lone 1 68 - 1 - Peak 355 from nnoeabs.peaks (1.38, 8.15, 122.77 ppm; 2.85 A): 2 out of 13 assignments used, quality = 0.96: QB ALA 78 + H ALA 78 OK 89 96 - 93 - 2.9=92, 3.6/5857=5...(6) * QB ALA 77 + H ALA 78 OK 66 100 - 66 - 3.6=51, 2.1/354=13...(6) HG3 LYS 73 - H ALA 78 lone 5 96 - 5 - HG2 LYS 75 - H ALA 78 lone 4 93 - 4 - HG3 LYS 75 - H ALA 78 lone 4 93 - 4 - QB ALA 20 - H ALA 78 lone 3 100 - 3 - HG2 LYS 85 - H ALA 78 lone 3 100 - 3 - HG3 ARG 69 - H ALA 78 lone 3 100 - 3 - HB3 ARG 69 - H ALA 78 lone 2 85 - 3 - HG2 LYS 83 - H ALA 78 lone 2 99 - 2 - QB ALA 53 - H ALA 78 lone 1 89 - 1 - QB ALA 16 - H ALA 78 lone 1 90 - 1 - HG3 LYS 39 - H ALA 78 lone 1 60 - 1 - Peak 357 from nnoeabs.peaks (4.21, 8.22, 118.71 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 78 + H GLN 79 OK 100 100 - 100 - 3.6=100 HA GLN 79 + H GLN 79 OK 98 98 - 100 - 3.0=100 HA ALA 77 - H GLN 79 OK 23 65 - 36 - 3.6/5857=14, 2.1/358=8...(8) HA LYS 73 - H GLN 79 poor 7 69 - 11 - 3.8/358=1, 16037/3985=1 HA ARG 84 - H GLN 79 lone 7 78 - 9 - 5421/4.6=1 HA LYS 85 - H GLN 79 lone 5 76 - 7 - 4015/4.6=1, 3.0/5993=1 HB THR 37 - H GLN 79 lone 3 89 - 3 - Peak 358 from nnoeabs.peaks (1.39, 8.22, 118.71 ppm; 3.96 A): 1 out of 13 assignments used, quality = 1.00: * QB ALA 78 + H GLN 79 OK 100 100 - 100 - 3.6=100 QB ALA 77 - H GLN 79 OK 33 96 - 34 - 3.6/5857=11, 4.6/5412=6...(9) HG2 LYS 75 - H GLN 79 lone 9 100 - 10 - 4.9/5411=2, 5446/3.0=2, ~5446=1 HG3 LYS 75 - H GLN 79 lone 9 100 - 10 - 4.9/5411=2, 5446/3.0=2, ~5446=1 HG3 LYS 73 - H GLN 79 lone 7 100 - 7 - 5446/3.0=1 HG2 LYS 85 - H GLN 79 lone 5 97 - 5 - HB3 ARG 69 - H GLN 79 lone 4 99 - 4 - HG2 LYS 83 - H GLN 79 lone 4 85 - 5 - HG3 ARG 69 - H GLN 79 lone 4 97 - 4 - QB ALA 20 - H GLN 79 lone 4 97 - 4 - QB ALA 53 - H GLN 79 lone 2 100 - 2 - HG3 LYS 39 - H GLN 79 lone 2 89 - 2 - QB ALA 16 - H GLN 79 lone 1 63 - 2 - Peak 359 from nnoeabs.peaks (4.18, 8.31, 123.08 ppm; 5.63 A): 1 out of 9 assignments used, quality = 1.00: * HA ARG 82 + H LYS 83 OK 100 100 - 100 - 3.6=100 HA ARG 84 - H LYS 83 OK 33 99 - 34 - 6062/4.0=5, 3.9/5896=4...(13) HA LYS 73 - H LYS 83 OK 33 100 - 33 - 3.0/3287=5, 3.8/5897=3...(11) HA LEU 29 - H LYS 83 OK 20 89 - 22 - 3.0/5896=3, 3235/4.4=3...(9) HB THR 15 - H LYS 83 OK 16 97 - 16 - 1132/4.6=4, 1133/2.9=3...(5) HA GLN 79 - H LYS 83 OK 16 83 - 19 - 6050/4.6=6, 3235/4.4=3...(7) HA ILE 89 - H LYS 83 OK 13 99 - 13 - 3597/4.6=4, 6062/4.0=1 HA ALA 78 - H LYS 83 poor 7 60 - 11 - 5473/4.6=3, 4.9/5897=1 HA ALA 53 - H LYS 83 lone 7 93 - 7 - Peak 360 from nnoeabs.peaks (1.69, 8.31, 123.08 ppm; 4.47 A): 2 out of 12 assignments used, quality = 1.00: * HB2 ARG 82 + H LYS 83 OK 100 100 - 100 - 4.4=100 HB3 LYS 83 + H LYS 83 OK 76 76 - 100 - 4.0=100 HB3 LYS 85 - H LYS 83 OK 24 63 - 39 - 3297=8, 3.0/831=5...(14) HB3 LEU 64 - H LYS 83 OK 14 100 - 14 - 2630/5.0=2, 5477/4.6=2...(6) HB2 LEU 29 - H LYS 83 OK 10 78 - 13 - 1.8/5896=3, 3.0/359=2...(5) HG LEU 29 - H LYS 83 poor 9 83 - 11 - 3.0/5896=2, 3.7/359=2...(4) HB3 LYS 13 - H LYS 83 lone 7 95 - 7 - 1.8/3287=1 HG2 ARG 23 - H LYS 83 lone 6 73 - 8 - 4.9/5502=1, 5477/4.6=1 HG2 ARG 70 - H LYS 83 lone 4 93 - 4 - HD2 LYS 13 - H LYS 83 lone 3 60 - 5 - HD3 LYS 13 - H LYS 83 lone 3 60 - 5 - HG3 ARG 66 - H LYS 83 lone 3 100 - 2 - Peak 361 from nnoeabs.peaks (1.76, 8.31, 123.08 ppm; 3.86 A): 2 out of 17 assignments used, quality = 0.95: HB2 LYS 83 + H LYS 83 OK 82 90 - 91 - 4.0=88, 1.8/833=15...(8) * HB3 ARG 82 + H LYS 83 OK 73 100 - 73 - 4.4=66, 1.8/833=9...(4) HB3 LYS 73 - H LYS 83 OK 19 96 - 20 - 3287=3, 3.0/359=2...(8) HB3 LYS 39 - H LYS 83 OK 11 89 - 13 - 3287=2, 3.0/831=1...(4) HB3 LYS 75 - H LYS 83 OK 11 78 - 14 - 3287=2, 3.0/831=2...(5) HB2 ARG 54 - H LYS 83 lone 8 100 - 8 - 5476/4.6=2, 6051/3.6=2 HB2 LYS 32 - H LYS 83 lone 6 99 - 6 - HB3 LYS 32 - H LYS 83 lone 6 99 - 6 - HB2 PRO 34 - H LYS 83 lone 4 93 - 5 - 6123/4.6=1 HB2 LYS 13 - H LYS 83 lone 4 73 - 6 - HG2 PRO 34 - H LYS 83 lone 4 99 - 4 - HG3 ARG 71 - H LYS 83 lone 2 93 - 3 - HB ILE 33 - H LYS 83 lone 2 100 - 2 - HB3 ARG 17 - H LYS 83 lone 2 78 - 3 - HB2 LEU 62 - H LYS 83 lone 2 85 - 2 - HB2 LEU 57 - H LYS 83 lone 2 100 - 2 - HG3 ARG 26 - H LYS 83 lone 2 89 - 2 - Peak 367 from nnoeabs.peaks (4.24, 8.20, 122.31 ppm; 4.09 A): 1 out of 22 assignments used, quality = 1.00: * HA LYS 83 + H ARG 84 OK 100 100 - 100 - 3.6=100 HA LYS 85 - H ARG 84 OK 28 93 - 31 - ~377=8, 3.0/842=3...(11) HB THR 37 - H ALA 28 OK 22 65 - 34 - ~6128=12, ~5532=10...(7) HA LEU 64 - H ALA 28 OK 17 71 - 25 - 3.9/5013=7, 3.9/5015=7...(7) HA LYS 75 - H ARG 84 OK 15 100 - 15 - 3066/4.6=4, 831/4.6=1...(5) HA THR 15 - H ARG 84 OK 15 100 - 15 - 1128=3, 3.0/1132=3...(5) HA THR 15 - H ALA 28 OK 10 86 - 12 - 1128=2, 3.2/1136=2...(4) HA LYS 75 - H ALA 28 OK 10 86 - 12 - 3.6/5411=3, 4.7/3984=2 HA LYS 39 - H ARG 84 lone 8 99 - 8 - HA LEU 64 - H ARG 84 lone 7 89 - 8 - 3.9/5015=2, 3.9/5013=2 HA ALA 77 - H ALA 28 lone 6 81 - 8 - ~1470=1, ~349=1 HA LYS 39 - H ALA 28 lone 6 83 - 7 - HA GLU 19 - H ARG 84 lone 5 93 - 5 - 831/4.6=1 HA ALA 12 - H ALA 28 lone 5 74 - 6 - 985/2.9=1 HA GLU 19 - H ALA 28 lone 4 76 - 5 - HA LYS 83 - H ALA 28 lone 4 86 - 4 - HA ALA 77 - H ARG 84 lone 4 97 - 4 - HB THR 37 - H ARG 84 lone 2 83 - 3 - HA LYS 85 - H ALA 28 lone 2 76 - 3 - HA ALA 20 - H ALA 28 lone 2 69 - 3 - HA ALA 20 - H ARG 84 lone 2 87 - 2 - HA ALA 12 - H ARG 84 lone 2 92 - 2 - Peak 368 from nnoeabs.peaks (1.78, 8.20, 122.31 ppm; 3.80 A): 3 out of 32 assignments used, quality = 0.96: * HB2 LYS 83 + H ARG 84 OK 77 100 - 77 - 4.3=70, 1.8/369=8...(5) HB3 ARG 84 + H ARG 84 OK 74 81 - 92 - 4.0=88, 1.8/842=10...(14) HB ILE 33 + H ALA 28 OK 40 77 - 52 - ~4179=15, 4219/2.9=9...(14) HB3 LYS 32 - H ALA 28 OK 32 83 - 38 - 2.9/543=3, 4836/3.0=3...(22) HB2 LYS 32 - H ALA 28 OK 32 83 - 38 - 2.9/543=3, 4836/3.0=3...(22) HB2 LYS 85 - H ARG 84 OK 20 81 - 25 - 1.8/842=3, ~6062=3...(9) HB3 LYS 73 - H ARG 84 OK 18 100 - 19 - 3.0/841=2, 3287/4.6=2...(5) HB2 LEU 57 - H ALA 28 OK 16 74 - 22 - ~4178=4, ~4174=4...(8) HB3 ARG 82 - H ARG 84 OK 12 90 - 14 - 361/4.6=4, 3.0/841=2...(4) HB3 LYS 75 - H ARG 84 lone 10 99 - 10 - 3.0/367=1, 3287/4.6=1 HB3 LYS 32 - H ARG 84 lone 9 99 - 9 - HB2 LYS 32 - H ARG 84 lone 9 99 - 9 - HB3 LYS 39 - H ARG 84 lone 8 100 - 7 - 3287/4.6=1 HB3 LYS 75 - H ALA 28 lone 6 84 - 7 - 4.6/5411=2 HB3 LYS 73 - H ALA 28 lone 6 85 - 6 - HB2 ARG 69 - H ALA 28 lone 5 63 - 8 - 3941/4.6=1, 5047/3.0=1 HB3 LYS 39 - H ALA 28 lone 5 86 - 6 - HB2 PRO 34 - H ALA 28 lone 5 86 - 6 - HB2 LYS 13 - H ARG 84 lone 4 99 - 4 - HB3 ARG 84 - H ALA 28 lone 4 63 - 6 - HG2 PRO 34 - H ALA 28 lone 4 61 - 6 - HB2 ARG 69 - H ARG 84 lone 4 81 - 4 - HB2 PRO 34 - H ARG 84 lone 3 100 - 3 - HB2 ARG 54 - H ALA 28 lone 3 72 - 4 - ~5321=1 HB2 ARG 54 - H ARG 84 lone 3 90 - 3 - HB2 LYS 83 - H ALA 28 lone 2 86 - 3 - HB ILE 33 - H ARG 84 lone 2 95 - 3 - HB2 LYS 13 - H ALA 28 lone 2 83 - 2 - HB3 ARG 82 - H ALA 28 lone 2 72 - 3 - HG2 PRO 34 - H ARG 84 lone 2 78 - 2 - HB2 LEU 57 - H ARG 84 lone 2 92 - 2 - HB2 LYS 85 - H ALA 28 lone 2 63 - 3 - Peak 369 from nnoeabs.peaks (1.72, 8.20, 122.31 ppm; 3.73 A): 2 out of 22 assignments used, quality = 0.97: HB2 ARG 84 + H ARG 84 OK 88 98 - 90 - 4.0=83, 1.8/843=10...(18) * HB3 LYS 83 + H ARG 84 OK 74 100 - 74 - 4.3=66, 833/4.6=7...(6) HB3 LYS 85 - H ARG 84 OK 31 100 - 31 - 851/4.6=5, 6062/3.0=4...(11) HB2 LEU 29 - H ALA 28 OK 28 86 - 32 - 4.0/76=10, 4.6/5538=5...(10) HB3 LEU 64 - H ALA 28 OK 23 65 - 36 - 3.1/5013=7, 3.1/5015=6...(12) HB2 LEU 29 - H ARG 84 OK 23 100 - 23 - 4.0/76=3, 1484/3.0=2...(7) HB2 ARG 82 - H ARG 84 OK 10 76 - 14 - 833/4.6=4, 3235/3.0=2...(4) HB2 LEU 43 - H ALA 28 lone 8 83 - 9 - 546/4.6=2, ~4173=1, 3.1/4171=1 HG2 ARG 70 - H ARG 84 lone 8 98 - 8 - 5488/4.6=2 HB3 LEU 64 - H ARG 84 lone 7 83 - 8 - 3.1/5015=1, 3.1/5013=1 HB2 ARG 84 - H ALA 28 lone 7 82 - 8 - 546/4.6=2 HG3 ARG 66 - H ALA 28 poor 7 61 - 11 - 2707/3.0=1 HB3 ARG 17 - H ARG 84 lone 6 68 - 9 - HB2 LEU 43 - H ARG 84 lone 6 99 - 6 - HG2 ARG 70 - H ALA 28 lone 5 82 - 6 - 2864/4.6=2 HB3 ARG 17 - H ALA 28 lone 3 52 - 6 - 5890/4.6=1 HB3 LYS 83 - H ALA 28 lone 3 86 - 4 - HB2 LEU 62 - H ALA 28 lone 3 45 - 7 - 3907/4.6=1, ~5321=1, ~5004=1 HB3 LYS 85 - H ALA 28 lone 3 85 - 4 - HB2 LEU 62 - H ARG 84 lone 3 60 - 5 - HB2 ARG 82 - H ALA 28 lone 2 59 - 4 - HG3 ARG 66 - H ARG 84 lone 2 78 - 2 - Peak 377 from nnoeabs.peaks (4.18, 8.11, 122.06 ppm; 3.51 A): 1 out of 18 assignments used, quality = 0.97: * HA ARG 84 + H LYS 85 OK 97 100 - 97 - 3.6=95, 3.0/378=6...(7) HA LYS 73 - H LYS 85 OK 21 99 - 21 - 4008=3, 6062/4.0=3...(11) HA ILE 89 - H LYS 85 OK 13 92 - 14 - 4038/4.7=3, 6062/4.0=2...(7) HA LYS 73 - H LYS 75 OK 12 52 - 24 - 5431/4.6=4, 4008=3...(11) HA LEU 29 - H LYS 85 lone 7 73 - 9 - 841/4.6=1, 3376/4.6=1...(4) HA ARG 82 - H LYS 85 lone 6 99 - 6 - HA ARG 84 - H LYS 75 lone 4 54 - 8 - 4008=1, 5431/4.6=1 HB THR 15 - H LYS 85 lone 4 89 - 5 - 1132/4.6=1 HA GLN 79 - H LYS 85 lone 3 95 - 3 - HA GLN 79 - H LYS 75 lone 3 47 - 6 - 5431/4.6=3 HA ALA 78 - H LYS 85 lone 2 78 - 3 - HA ILE 89 - H LYS 75 lone 2 44 - 5 - 323/4.6=1 HA LEU 29 - H LYS 75 lone 2 33 - 7 - 5431/4.6=2 HA ALA 78 - H LYS 75 lone 2 35 - 6 - 5431/4.6=1 HA ARG 82 - H LYS 75 lone 2 51 - 4 - HA ALA 53 - H LYS 85 lone 2 81 - 2 - HA ALA 53 - H LYS 75 lone 1 37 - 3 - HB THR 15 - H LYS 75 lone 1 42 - 3 - Peak 378 from nnoeabs.peaks (1.73, 8.11, 122.06 ppm; 3.76 A): 2 out of 22 assignments used, quality = 0.96: HB3 LYS 85 + H LYS 85 OK 86 100 - 86 - 4.0=80, 1.8/379=8...(11) * HB2 ARG 84 + H LYS 85 OK 70 100 - 70 - 4.6=53, 3.0/377=16...(12) HB3 LYS 83 - H LYS 85 OK 28 98 - 29 - 3443=5, 842/4.6=4...(12) HB3 LYS 85 - H LYS 75 OK 15 53 - 28 - 3443=5, 3.0/3423=3...(12) HG2 ARG 70 - H LYS 85 OK 14 87 - 16 - 4.9/5390=3, 5488=3...(6) HB2 LEU 43 - H LYS 85 OK 13 100 - 13 - 3426/2.9=2, ~5357=2...(7) HB2 LEU 29 - H LYS 85 OK 12 97 - 12 - 387/4.7=3, 1484/3.6=2...(5) HG3 ARG 71 - H LYS 85 poor 7 71 - 10 - 2928=2, 5.0/5397=2 HB3 LYS 83 - H LYS 75 poor 7 50 - 14 - 3443=2, 6055/3.6=2...(4) HG2 ARG 70 - H LYS 75 poor 6 41 - 15 - 4.9/5390=4, 4.0/5391=3...(6) HB3 ARG 17 - H LYS 85 lone 5 89 - 6 - HG3 ARG 71 - H LYS 75 poor 4 31 - 13 - 5.0/5397=3, 2928=3...(4) HB2 LEU 62 - H LYS 85 lone 3 83 - 4 - 387/4.7=1 HB2 LEU 29 - H LYS 75 lone 3 49 - 7 - 1483/4.6=1 HB2 ARG 84 - H LYS 75 lone 3 54 - 5 - 3.0/4008=1 HG3 ARG 26 - H LYS 85 lone 3 78 - 3 - HB3 LEU 64 - H LYS 85 lone 2 60 - 3 - HB2 LEU 43 - H LYS 75 lone 2 54 - 3 - HB3 LEU 64 - H LYS 75 lone 1 26 - 5 - HB2 LEU 62 - H LYS 75 lone 1 38 - 3 - HB3 ARG 17 - H LYS 75 lone 1 42 - 2 - HG3 ARG 26 - H LYS 75 lone 1 35 - 2 - Peak 379 from nnoeabs.peaks (1.80, 8.11, 122.06 ppm; 3.80 A): 2 out of 26 assignments used, quality = 0.97: HB2 LYS 85 + H LYS 85 OK 88 100 - 88 - 4.0=82, 1.8/378=11...(11) * HB3 ARG 84 + H LYS 85 OK 72 100 - 72 - 4.6=55, 3.0/377=16...(13) HB3 LYS 75 - H LYS 75 OK 39 44 - 89 - 4.0=86, 341/4.6=4...(8) HB2 LYS 73 - H LYS 85 OK 24 83 - 29 - 3.0/377=3, 2.9/853=2...(14) HB3 LYS 75 - H LYS 85 OK 22 92 - 24 - 3.0/3066=5, 1.8/3076=3...(8) HB2 LYS 83 - H LYS 85 OK 21 81 - 26 - 1.8/3443=5, 843/4.6=3...(11) HB3 LYS 73 - H LYS 85 OK 19 71 - 27 - 3.0/377=3, 1.8/3076=2...(12) HB2 ARG 69 - H LYS 75 OK 15 54 - 28 - 4.0/5825=5, 3941/4.6=5...(8) HB2 ARG 69 - H LYS 85 OK 15 100 - 14 - 4.3/5390=4, 4.0/5825=3 HB2 LYS 85 - H LYS 75 OK 14 54 - 27 - 1.8/3443=4, 3.0/3423=3...(9) HB ILE 89 - H LYS 85 OK 12 81 - 15 - 5903/4.7=3, 3605/3.6=2...(7) HB2 LYS 73 - H LYS 75 OK 12 38 - 32 - 324/4.6=6, 3.0/4008=3...(12) HB3 LYS 39 - H LYS 75 OK 12 38 - 31 - 3069/3.0=4, 1.8/3076=4...(13) HB2 LYS 13 - H LYS 85 OK 10 95 - 11 - 3425/2.9=1, 3.0/853=1...(5) HB3 LYS 73 - H LYS 75 OK 10 31 - 33 - 1.8/3076=4, 3069/3.0=3...(15) HB3 LYS 39 - H LYS 85 lone 8 83 - 10 - 386/4.7=1 HB2 LYS 13 - H LYS 75 poor 7 47 - 16 - 3069/3.0=3, ~3073=2...(6) HB2 LYS 83 - H LYS 75 poor 5 37 - 12 - 1.8/3443=2, 3069/3.0=1...(4) HB3 ARG 84 - H LYS 75 lone 3 54 - 6 - 3.0/4008=1 HB2 LYS 32 - H LYS 85 lone 3 60 - 4 - HB3 LYS 32 - H LYS 85 lone 3 60 - 4 - HB2 PRO 34 - H LYS 85 lone 2 76 - 3 - HB ILE 89 - H LYS 75 lone 2 37 - 5 - 3604/4.6=2 HB3 LYS 32 - H LYS 75 lone 2 26 - 7 - HB2 LYS 32 - H LYS 75 lone 2 26 - 7 - HB2 PRO 34 - H LYS 75 lone 1 34 - 2 - Peak 385 from nnoeabs.peaks (4.23, 8.27, 123.92 ppm; 3.00 A): 1 out of 10 assignments used, quality = 0.65: * HA LYS 85 + H LEU 86 OK 65 100 - 65 - 3.6=59, 3.0/386=6...(4) HA LYS 83 - H LEU 86 lone 9 93 - 9 - 4015=2, 3.0/5995=1...(4) HA LYS 75 - H LEU 86 lone 7 92 - 8 - 3066/4.7=2 HA LYS 39 - H LEU 86 lone 5 81 - 7 - 4.1/861=1 HA GLU 19 - H LEU 86 lone 2 63 - 3 - HA ALA 77 - H LEU 86 lone 2 100 - 2 - HA ALA 12 - H LEU 86 lone 1 60 - 2 - HA THR 15 - H LEU 86 lone 1 89 - 1 - HA ALA 78 - H LEU 86 lone 1 76 - 1 - HB THR 37 - H LEU 86 lone 1 99 - 1 - Peak 386 from nnoeabs.peaks (1.80, 8.27, 123.92 ppm; 4.18 A): 3 out of 13 assignments used, quality = 0.92: * HB2 LYS 85 + H LEU 86 OK 86 100 - 86 - 4.6=75, 3.0/385=28...(4) HB ILE 89 + H LEU 86 OK 26 81 - 33 - 2.1/4040=8, 3.0/4038=6...(9) HB3 ARG 84 + H LEU 86 OK 20 100 - 20 - 379/4.7=4, 1.8/387=4...(6) HB2 LYS 13 - H LEU 86 OK 15 95 - 16 - 1.8/1009=4, 3.0/5924=2...(6) HB3 LYS 39 - H LEU 86 OK 15 83 - 18 - 2.9/861=3, 3.0/385=2...(7) HB3 LYS 75 - H LEU 86 OK 14 92 - 15 - 3.0/385=3, 3425/3.6=2...(7) HB2 LYS 73 - H LEU 86 OK 13 83 - 16 - 2.9/5895=2, 3425/3.6=2...(8) HB2 LYS 83 - H LEU 86 OK 12 81 - 16 - 3.0/385=4, 1.8/5995=4...(7) HB2 PRO 34 - H LEU 86 OK 11 76 - 14 - ~1721=2, ~1728=2...(7) HB3 LYS 73 - H LEU 86 poor 10 71 - 14 - 2.9/5895=2, 3425/3.6=2...(6) HB2 ARG 69 - H LEU 86 lone 8 100 - 8 - 1.8/5895=1, 2797/4.7=1 HB2 LYS 32 - H LEU 86 lone 3 60 - 4 - HB3 LYS 32 - H LEU 86 lone 3 60 - 4 - Peak 387 from nnoeabs.peaks (1.72, 8.27, 123.92 ppm; 4.12 A): 3 out of 13 assignments used, quality = 0.93: * HB3 LYS 85 + H LEU 86 OK 84 100 - 84 - 4.6=72, 3.0/385=28...(4) HB2 LEU 29 + H LEU 86 OK 42 99 - 43 - 1.8/861=7, 1488/4.8=5...(13) HB2 ARG 84 + H LEU 86 OK 22 100 - 23 - 378/4.7=5, 1.8/386=3...(7) HB3 LYS 83 - H LEU 86 OK 21 100 - 21 - 5995=4, 3.0/385=4...(9) HB2 LEU 62 - H LEU 86 OK 18 73 - 25 - 3.0/861=4, 1.8/3520=3...(13) HB2 LEU 43 - H LEU 86 OK 14 100 - 14 - 3.1/5916=2, 3426/3.6=2...(6) HB3 ARG 17 - H LEU 86 OK 12 81 - 15 - 2.9/860=2, 2.9/860=2...(6) HG2 ARG 70 - H LEU 86 OK 10 93 - 11 - 5488/4.7=2, 1.8/860=1 HB3 LEU 64 - H LEU 86 poor 8 71 - 11 - 2631/4.8=2, 3.1/5916=2...(4) HG3 ARG 71 - H LEU 86 lone 3 60 - 5 - HG3 ARG 26 - H LEU 86 lone 3 68 - 4 - HB2 ARG 82 - H LEU 86 lone 2 63 - 3 - HG3 ARG 66 - H LEU 86 lone 1 65 - 2 - Peak 395 from nnoeabs.peaks (4.30, 8.42, 121.83 ppm; 3.00 A): 2 out of 8 assignments used, quality = 0.98: HA GLU 87 + H GLU 87 OK 93 93 - 100 - 3.0=100 * HA LEU 86 + H GLU 87 OK 71 100 - 71 - 3.6=60, 3.0/5898=12...(9) HA THR 88 - H GLU 87 lone 6 78 - 8 - ~402=6 HA PRO 34 - H GLU 87 lone 4 93 - 4 - HA ALA 16 - H GLU 87 lone 3 99 - 3 - HA ARG 17 - H GLU 87 lone 3 73 - 4 - HA ASP 38 - H GLU 87 lone 2 76 - 2 - HA SER 60 - H GLU 87 lone 1 73 - 1 - Peak 396 from nnoeabs.peaks (1.61, 8.42, 121.83 ppm; 4.66 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 86 + H GLU 87 OK 100 100 - 100 - 4.6=100 HG LEU 86 - H GLU 87 OK 45 90 - 50 - 5.3/5898=18, 3.0/397=18...(8) HB3 LEU 62 - H GLU 87 OK 11 68 - 17 - 3.0/397=3, 3521/3.6=3...(7) HG3 ARG 70 - H GLU 87 OK 11 100 - 11 - 4.9/5826=4, 5.0/5899=2 HB3 LEU 51 - H GLU 87 poor 10 92 - 11 - 2227/4.9=4, 3515/3.6=2...(4) HG2 ARG 17 - H GLU 87 lone 8 100 - 8 - 3515/3.6=2, 860/4.6=2 HG3 ARG 17 - H GLU 87 lone 8 100 - 8 - 3515/3.6=2, 860/4.6=2 HG2 ARG 26 - H GLU 87 lone 8 99 - 8 - 4.9/5899=2 HG2 ARG 71 - H GLU 87 lone 6 100 - 6 - 5.0/5899=2 HD2 LYS 73 - H GLU 87 lone 5 100 - 5 - 860/4.6=1 HD3 LYS 73 - H GLU 87 lone 5 100 - 5 - 860/4.6=1 HG2 ARG 84 - H GLU 87 lone 4 81 - 5 - 860/4.6=1, 3515/3.6=1 HG3 ARG 84 - H GLU 87 lone 4 81 - 5 - 860/4.6=1, 3515/3.6=1 HD3 LYS 32 - H GLU 87 lone 4 100 - 4 - HD2 LYS 32 - H GLU 87 lone 4 100 - 4 - HG2 ARG 27 - H GLU 87 lone 3 89 - 4 - HG3 ARG 27 - H GLU 87 lone 3 87 - 4 - Peak 397 from nnoeabs.peaks (1.56, 8.42, 121.83 ppm; 4.31 A): 1 out of 11 assignments used, quality = 0.92: * HB3 LEU 86 + H GLU 87 OK 92 100 - 92 - 4.6=83, 4.0/5898=21...(10) HB3 LEU 29 - H GLU 87 OK 20 89 - 23 - 3516/3.6=5, 861/4.6=4...(7) HG LEU 62 - H GLU 87 OK 17 100 - 17 - 3516/3.6=4, 861/4.6=3...(7) HG LEU 64 - H GLU 87 OK 15 76 - 20 - 2.1/6134=7, 4.3/6135=4...(5) HG2 LYS 39 - H GLU 87 OK 11 92 - 12 - 5119/4.9=2, 3516/3.6=2...(6) HB3 LEU 62 - H GLU 87 poor 8 71 - 12 - 3516/3.6=2, 3.1/5919=2...(6) HD3 LYS 39 - H GLU 87 lone 6 85 - 7 - 3516/3.6=1, 861/4.6=1 HD2 LYS 39 - H GLU 87 lone 6 83 - 7 - 3516/3.6=1, 861/4.6=1 HG3 ARG 54 - H GLU 87 lone 3 95 - 4 - HB3 ARG 54 - H GLU 87 lone 3 92 - 4 - HG3 ARG 23 - H GLU 87 lone 2 78 - 3 - Peak 402 from nnoeabs.peaks (4.32, 8.13, 115.78 ppm; 3.31 A): 2 out of 4 assignments used, quality = 0.84: * HA GLU 87 + H THR 88 OK 82 100 - 82 - 3.6=80, 3.0/4032=5...(4) HA LEU 86 + H THR 88 OK 10 93 - 11 - 866/4.6=6, 3562/4.6=1 HA ALA 16 - H THR 88 lone 2 99 - 2 - HA PRO 34 - H THR 88 lone 2 100 - 2 - Peak 408 from nnoeabs.peaks (4.28, 8.17, 124.35 ppm; 3.07 A): 1 out of 10 assignments used, quality = 0.75: * HA THR 88 + H ILE 89 OK 75 100 - 75 - 3.5=65, 3590/4.4=12...(6) HA LEU 86 - H ILE 89 poor 8 78 - 10 - 5904/4.9=2, 3519/4.0=2...(5) HA ARG 17 - H ILE 89 lone 6 100 - 6 - HA LEU 64 - H ILE 89 lone 3 83 - 4 - HA GLU 19 - H ILE 89 lone 3 76 - 3 - 872/4.6=1 HA ASP 38 - H ILE 89 lone 2 100 - 2 - HA SER 60 - H ILE 89 lone 1 100 - 1 - HA ALA 20 - H ILE 89 lone 1 85 - 1 - HA ALA 12 - H ILE 89 lone 1 78 - 1 - HA ALA 16 - H ILE 89 lone 1 57 - 1 - Peak 409 from nnoeabs.peaks (4.12, 8.17, 124.35 ppm; 4.18 A): 2 out of 6 assignments used, quality = 0.95: * HB THR 88 + H ILE 89 OK 93 100 - 93 - 4.4=85, 3590/3.5=31...(5) HA ARG 27 + H ILE 89 OK 27 100 - 28 - 3587/3.5=4, 4807/4.5=4...(8) HA ALA 30 - H ILE 89 OK 15 90 - 16 - 2.1/5539=6, 4188/4.0=2...(7) HA ARG 23 - H ILE 89 lone 9 99 - 9 - 5341/4.6=2, 3587/3.5=1...(4) HA GLN 91 - H ILE 89 lone 4 93 - 5 - 873/4.6=1, 3587/3.5=1 HA ASN 49 - H ILE 89 lone 2 85 - 2 - Peak 410 from nnoeabs.peaks (1.15, 8.17, 124.35 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.99: * QG2 THR 88 + H ILE 89 OK 96 100 - 96 - 3.9=91, 3.2/408=25...(8) HG12 ILE 89 + H ILE 89 OK 76 100 - 77 - 4.5=58, 2.9/877=15...(7) QG2 THR 37 - H ILE 89 lone 5 71 - 7 - 5270/4.0=1 Peak 412 from nnoeabs.peaks (4.17, 8.27, 125.92 ppm; 3.29 A): 3 out of 16 assignments used, quality = 0.85: * HA ILE 89 + H VAL 90 OK 79 100 - 79 - 3.6=79 HA LEU 29 + H VAL 90 OK 16 98 - 16 - 3612/4.4=3, 4.0/414=2...(8) HA LYS 73 + H VAL 90 OK 11 99 - 12 - 3605/4.4=3, 3612/4.4=3...(4) HA ARG 84 - H VAL 90 lone 7 92 - 7 - 3612/4.4=2, 3605/4.4=2 HA ARG 82 - H VAL 90 lone 2 99 - 2 - HA ALA 53 - H VAL 90 lone 1 99 - 1 - HB THR 15 - H VAL 90 lone 1 100 - 1 - HA ILE 89 - H ALA 12 lone 1 54 - 3 - 4038/4.6=1 HA GLN 79 - H VAL 90 lone 1 63 - 2 - HB THR 15 - H ALA 12 lone 1 54 - 1 - HA LEU 29 - H ALA 12 lone 1 50 - 1 - HA LYS 73 - H ALA 12 lone 0 52 - 1 - HA ARG 84 - H ALA 12 lone 0 45 - 1 - HA ALA 53 - H ALA 12 lone 0 52 - 1 - HA ARG 82 - H ALA 12 lone 0 52 - 1 - HA GLN 79 - H ALA 12 lone 0 27 - 1 - Peak 414 from nnoeabs.peaks (0.84, 8.27, 125.92 ppm; 4.74 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 89 + H VAL 90 OK 100 100 - 100 - 4.4=100 QD2 LEU 86 - H VAL 90 OK 40 98 - 41 - 3.1/3520=6, 4.0/3513=6...(13) QD2 LEU 29 - H VAL 90 OK 38 100 - 37 - 3600/3.6=6, 4.0/412=5...(12) QD1 LEU 43 - H VAL 90 OK 22 96 - 23 - 3607/4.4=6, 3600/3.6=6...(4) QD2 LEU 64 - H VAL 90 lone 9 100 - 9 - 3600/3.6=3, 3607/4.4=2 QD2 LEU 64 - H ALA 12 lone 4 53 - 7 - 5162/2.9=2, 5027/3.0=1 QG2 ILE 89 - H ALA 12 lone 4 54 - 7 - 4040/4.6=3 QD2 LEU 86 - H ALA 12 lone 2 50 - 4 - QD2 LEU 29 - H ALA 12 lone 2 53 - 3 - QD1 LEU 43 - H ALA 12 lone 1 48 - 3 - Peak 419 from nnoeabs.peaks (4.08, 8.03, 129.89 ppm; 3.03 A): 1 out of 5 assignments used, quality = 0.62: * HA VAL 90 + H GLN 91 OK 62 100 - 62 - 3.6=61, 3641/3.6=1 HA GLU 25 - H GLN 91 lone 6 95 - 6 - 4.1/5905=3 HA ARG 26 - H GLN 91 lone 5 99 - 5 - HA ALA 63 - H GLN 91 lone 3 93 - 3 - HA ARG 71 - H GLN 91 lone 2 100 - 2 - Peak 420 from nnoeabs.peaks (2.02, 8.03, 129.89 ppm; 4.49 A): 2 out of 17 assignments used, quality = 1.00: * HB VAL 90 + H GLN 91 OK 100 100 - 100 - 4.4=100 HB3 GLN 91 + H GLN 91 OK 78 78 - 100 - 3.6=100 HB3 GLU 19 - H GLN 91 OK 24 83 - 29 - 3.0/5905=8, 3.0/5905=8...(6) HB2 GLU 87 - H GLN 91 OK 15 95 - 16 - 1.8/3667=4, 3676/2.9=3...(4) HG2 ARG 66 - H GLN 91 OK 10 99 - 11 - 3641/3.6=3, 5373/4.1=2...(4) HB3 MET 11 - H GLN 91 lone 8 96 - 8 - 3641/3.6=2, 4045=2 HB VAL 76 - H GLN 91 lone 6 68 - 9 - 4045=2, 3645/3.6=2...(5) HD2 ARG 69 - H GLN 91 lone 3 96 - 3 - HD3 ARG 69 - H GLN 91 lone 3 96 - 3 - HB3 GLN 79 - H GLN 91 lone 3 73 - 4 - HB3 PRO 56 - H GLN 91 lone 2 95 - 2 - HB2 GLU 50 - H GLN 91 lone 2 78 - 3 - HB3 GLU 50 - H GLN 91 lone 2 78 - 3 - HG2 PRO 56 - H GLN 91 lone 2 85 - 2 - QE MET 31 - H GLN 91 lone 1 60 - 2 - HG LEU 43 - H GLN 91 lone 1 57 - 2 - HG2 PRO 44 - H GLN 91 lone 1 60 - 2 - Peak 421 from nnoeabs.peaks (0.90, 8.03, 129.89 ppm; 4.31 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 90 + H GLN 91 OK 100 100 - 100 - 4.1=100 QG2 VAL 90 + H GLN 91 OK 100 100 - 100 - 4.1=100 QG1 VAL 76 - H GLN 91 lone 6 81 - 7 - 2.1/4045=2, 3642/3.6=1, 4046=1 QG2 VAL 76 - H GLN 91 lone 6 81 - 7 - 2.1/4045=2, 3642/3.6=1, 4046=1 QD1 LEU 29 - H GLN 91 lone 6 83 - 7 - 3643/3.6=2, 886/4.6=2 QD1 LEU 86 - H GLN 91 lone 6 96 - 6 - 886/4.6=2, 3643/3.6=2 HG LEU 51 - H GLN 91 lone 3 99 - 3 - HG12 ILE 68 - H GLN 91 lone 2 81 - 3 - QD1 LEU 62 - H GLN 91 lone 2 68 - 2 - Peak 422 from nnoeabs.peaks (0.90, 8.03, 129.89 ppm; 4.31 A): 2 out of 9 assignments used, quality = 1.00: * QG2 VAL 90 + H GLN 91 OK 100 100 - 100 - 4.1=100 QG1 VAL 90 + H GLN 91 OK 100 100 - 100 - 4.1=100 QD1 LEU 29 - H GLN 91 lone 6 85 - 7 - 3643/3.6=2, 886/4.6=2 QG1 VAL 76 - H GLN 91 lone 6 78 - 7 - 2.1/4045=2, 3642/3.6=1, 4046=1 QG2 VAL 76 - H GLN 91 lone 6 78 - 7 - 2.1/4045=2, 3642/3.6=1, 4046=1 QD1 LEU 86 - H GLN 91 lone 6 97 - 6 - 886/4.6=2, 3643/3.6=2 HG LEU 51 - H GLN 91 lone 3 99 - 3 - HG12 ILE 68 - H GLN 91 lone 2 78 - 3 - QD1 LEU 62 - H GLN 91 lone 2 71 - 2 - Peak 424 from nnoeabs.peaks (4.68, 7.62, 113.85 ppm; 5.99 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 42 + HD21 ASN 42 OK 100 100 - 100 - 4.4=100 HA PRO 56 - HD21 ASN 42 OK 11 99 - 11 - 614/5.7=4, 1997/3.5=2...(4) Peak 425 from nnoeabs.peaks (2.76, 7.62, 113.85 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 42 + HD21 ASN 42 OK 94 100 - 94 - 3.5=92, 3.0/1988=12...(4) HB3 ASN 42 + HD21 ASN 42 OK 94 100 - 94 - 3.5=92, 3.0/1988=12...(4) HB3 ASN 74 - HD21 ASN 42 lone 2 73 - 3 - HB3 ASN 80 - HD21 ASN 42 lone 2 100 - 2 - Peak 426 from nnoeabs.peaks (2.76, 7.62, 113.85 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 42 + HD21 ASN 42 OK 94 100 - 94 - 3.5=92, 3.0/1988=12...(4) HB2 ASN 42 + HD21 ASN 42 OK 94 100 - 94 - 3.5=92, 3.0/1988=12...(4) HB3 ASN 74 - HD21 ASN 42 lone 3 78 - 3 - HB3 ASN 80 - HD21 ASN 42 lone 2 100 - 2 - Peak 427 from nnoeabs.peaks (7.62, 7.62, 113.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 42 + HD21 ASN 42 OK 100 100 - 100 Peak 428 from nnoeabs.peaks (6.94, 7.62, 113.85 ppm; 2.53 A): 1 out of 4 assignments used, quality = 1.00: * HD22 ASN 42 + HD21 ASN 42 OK 100 100 - 100 - 1.7=100 QE PHE 35 - HD21 ASN 42 lone 9 99 - 9 - 4687/3.5=2, 4687/3.5=2 HZ PHE 35 - HD21 ASN 42 lone 4 99 - 4 - HZ PHE 48 - HD21 ASN 42 lone 4 97 - 4 - Peak 431 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 42 + HD22 ASN 42 OK 100 100 - 100 - 3.5=100 HB3 ASN 42 + HD22 ASN 42 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 - HD22 ASN 42 lone 3 73 - 4 - HB3 ASN 80 - HD22 ASN 42 lone 2 100 - 2 - Peak 432 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 42 + HD22 ASN 42 OK 100 100 - 100 - 3.5=100 HB2 ASN 42 + HD22 ASN 42 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 - HD22 ASN 42 lone 3 78 - 4 - HB3 ASN 80 - HD22 ASN 42 lone 2 100 - 2 - Peak 433 from nnoeabs.peaks (7.62, 6.94, 113.85 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HD21 ASN 42 + HD22 ASN 42 OK 100 100 - 100 - 1.7=100 H VAL 41 - HD22 ASN 42 OK 27 100 - 27 - 4.6/5088=4, 4.0/4367=4...(11) HD21 ASN 74 - HD22 ASN 42 lone 3 93 - 3 - Peak 434 from nnoeabs.peaks (6.94, 6.94, 113.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 42 + HD22 ASN 42 OK 100 100 - 100 Peak 435 from nnoeabs.peaks (8.65, 6.86, 112.13 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.99: * H ASN 49 + HD21 ASN 49 OK 97 100 - 97 - 5.3=83, 650/1.7=47...(9) H ASN 49 + HE22 GLN 79 OK 47 99 - 47 - 649=15, 4.0/2177=10...(8) H VAL 45 + HD21 ASN 49 OK 47 68 - 69 - 4.0/4422=27, 4.0/4425=27...(7) H VAL 45 - HE22 GLN 79 OK 12 66 - 18 - 4.0/4425=7, 4.0/4497=7...(5) Peak 437 from nnoeabs.peaks (2.90, 6.86, 112.13 ppm; 3.89 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASN 49 + HD21 ASN 49 OK 100 100 - 100 - 3.5=100 HB2 ASN 49 - HE22 GLN 79 OK 41 99 - 41 - 2171=12, 1.8/2177=10...(9) HB3 PHE 48 - HD21 ASN 49 OK 38 90 - 42 - 4.3/649=12, 443/1.7=9...(10) HB2 ASP 67 - HD21 ASN 49 OK 36 100 - 36 - 443/1.7=7, 3.0/4496=7...(11) HB3 PHE 35 - HD21 ASN 49 OK 10 95 - 11 - 443/1.7=2, 2175/3.5=1...(5) HB3 PHE 48 - HE22 GLN 79 lone 8 89 - 9 - 4.3/649=5 HB2 ASP 67 - HE22 GLN 79 lone 4 99 - 4 - 3.0/4496=1 HB3 PHE 35 - HE22 GLN 79 lone 2 93 - 2 - Peak 438 from nnoeabs.peaks (2.68, 6.86, 112.13 ppm; 4.03 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASN 49 + HD21 ASN 49 OK 100 100 - 100 - 3.5=100 HB3 ASN 49 - HE22 GLN 79 OK 44 99 - 44 - 2177=13, 1.8/2171=11...(9) HB2 ASP 46 - HD21 ASN 49 OK 39 81 - 49 - 3.0/4496=10, ~5359=9...(12) HB2 ASP 47 - HD21 ASN 49 OK 26 96 - 27 - 444/1.7=6, 2170/3.5=6...(7) HB2 ASP 46 - HE22 GLN 79 lone 5 79 - 6 - 3.0/4496=2 HB2 ASP 47 - HE22 GLN 79 lone 4 94 - 4 - HB2 ASN 80 - HD21 ASN 49 lone 2 71 - 2 - HB2 ASN 80 - HE22 GLN 79 lone 1 69 - 1 - Peak 439 from nnoeabs.peaks (6.86, 6.86, 112.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HD21 ASN 49 OK 100 100 - 100 HE22 GLN 79 + HE22 GLN 79 OK 99 99 - 100 Peak 440 from nnoeabs.peaks (7.83, 6.86, 112.13 ppm; 2.54 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 49 + HD21 ASN 49 OK 100 100 - 100 - 1.7=100 HD22 ASN 49 - HE22 GLN 79 OK 23 99 - 23 - 445=10, 3.5/2177=3...(7) Peak 441 from nnoeabs.peaks (8.65, 7.83, 112.13 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.96: * H ASN 49 + HD22 ASN 49 OK 92 100 - 92 - 5.3=68, 2167/3.5=28...(10) H VAL 45 + HD22 ASN 49 OK 47 68 - 69 - 4.0/4499=32, 4.0/4423=31...(7) Peak 442 from nnoeabs.peaks (4.14, 7.83, 112.13 ppm; 5.19 A): 1 out of 9 assignments used, quality = 1.00: * HA ASN 49 + HD22 ASN 49 OK 100 100 - 100 - 4.4=100 HA ALA 30 - HD22 ASN 49 OK 16 100 - 16 - 2168/3.5=5, 2174/3.5=5...(4) HA GLN 91 - HD22 ASN 49 lone 7 100 - 7 - 2168/3.5=2, 2174/3.5=2...(4) HA ALA 53 - HD22 ASN 49 lone 6 71 - 9 - 2168/3.5=2, 646/5.3=2...(4) HA ARG 23 - HD22 ASN 49 lone 5 96 - 5 - 2168/3.5=1, 2174/3.5=1 HA LEU 29 - HD22 ASN 49 lone 5 78 - 6 - 2168/3.5=1, 2174/3.5=1 HB THR 88 - HD22 ASN 49 lone 3 85 - 3 - HA ARG 27 - HD22 ASN 49 lone 3 76 - 3 - HB THR 15 - HD22 ASN 49 lone 2 60 - 4 - Peak 443 from nnoeabs.peaks (2.90, 7.83, 112.13 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 49 + HD22 ASN 49 OK 100 100 - 100 - 3.5=100 HB3 PHE 48 - HD22 ASN 49 OK 37 90 - 41 - 4.3/650=17, 2175/3.5=6...(10) HB2 ASP 67 - HD22 ASN 49 OK 31 100 - 31 - 3.0/5359=7, 437/1.7=5...(12) HB3 PHE 35 - HD22 ASN 49 lone 8 95 - 8 - 6080/1.7=2, 2175/3.5=1...(4) Peak 444 from nnoeabs.peaks (2.68, 7.83, 112.13 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 49 + HD22 ASN 49 OK 100 100 - 100 - 3.5=100 HB2 ASP 46 - HD22 ASN 49 OK 34 81 - 43 - 3.0/5359=12, 438/1.7=6...(12) HB2 ASP 47 - HD22 ASN 49 OK 22 96 - 23 - 2170/3.5=5, 648/5.3=4...(8) HB2 ASN 80 - HD22 ASN 49 lone 1 71 - 2 - Peak 445 from nnoeabs.peaks (6.86, 7.83, 112.13 ppm; 2.53 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HD22 ASN 49 OK 100 100 - 100 - 1.7=100 HE22 GLN 79 - HD22 ASN 49 OK 23 100 - 23 - 440=9, 2177/3.5=3...(7) Peak 446 from nnoeabs.peaks (7.83, 7.83, 112.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HD22 ASN 49 OK 100 100 - 100 Peak 449 from nnoeabs.peaks (2.81, 7.61, 112.60 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 74 + HD21 ASN 74 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 + HD21 ASN 74 OK 57 57 - 100 - 3.5=100 HB2 TYR 55 - HD21 ASN 74 lone 3 97 - 3 - HB3 ASP 67 - HD21 ASN 74 lone 1 65 - 1 - Peak 450 from nnoeabs.peaks (2.78, 7.61, 112.60 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASN 74 + HD21 ASN 74 OK 100 100 - 100 - 3.5=100 HB2 ASN 74 + HD21 ASN 74 OK 57 57 - 100 - 3.5=100 HB3 ASN 80 - HD21 ASN 74 OK 14 71 - 19 - ~5871=4, ~6017=4...(8) HB3 ASN 42 - HD21 ASN 74 lone 7 78 - 9 - 4.1/144=1, 3.0/1988=1...(4) HB2 ASN 42 - HD21 ASN 74 lone 7 73 - 9 - 4.1/144=1, 3.0/1988=1...(4) HB2 TYR 55 - HD21 ASN 74 lone 2 83 - 2 - Peak 451 from nnoeabs.peaks (7.61, 7.61, 112.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 74 + HD21 ASN 74 OK 100 100 - 100 Peak 452 from nnoeabs.peaks (6.90, 7.61, 112.60 ppm; 2.45 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 74 + HD21 ASN 74 OK 100 100 - 100 - 1.7=100 HD22 ASN 80 - HD21 ASN 74 OK 12 99 - 12 - 457=5, ~6013=2, ~6016=1, ~6015=1 Peak 454 from nnoeabs.peaks (4.62, 6.90, 112.60 ppm; 4.97 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 74 + HD22 ASN 74 OK 100 100 - 100 - 4.4=100 HA ASN 80 + HD22 ASN 80 OK 95 95 - 100 - 4.3=100 HA ASN 74 - HD22 ASN 80 OK 36 97 - 37 - 5423/3.5=10, 5422/5.3=5...(9) HA ASN 80 - HD22 ASN 74 OK 32 99 - 32 - 3.0/5871=8, 3055/3.5=6...(8) HA PRO 36 - HD22 ASN 80 lone 5 94 - 5 - 5423/3.5=1, 5422/5.3=1 HA PRO 36 - HD22 ASN 74 lone 4 98 - 4 - Peak 455 from nnoeabs.peaks (2.81, 6.90, 112.60 ppm; 3.90 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ASN 74 + HD22 ASN 74 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 57 57 - 100 - 3.5=100 HB2 ASN 74 - HD22 ASN 80 OK 20 97 - 21 - 3.5/452=4, 3059=4...(7) HB3 ASN 74 - HD22 ASN 80 poor 7 53 - 13 - 3.5/452=4, 1.8/3059=4...(5) HB2 TYR 55 - HD22 ASN 74 lone 3 97 - 3 - HB2 TYR 55 - HD22 ASN 80 lone 1 93 - 1 - HB3 ASP 67 - HD22 ASN 74 lone 1 65 - 1 - HB3 ASP 67 - HD22 ASN 80 lone 1 60 - 1 - Peak 456 from nnoeabs.peaks (2.78, 6.90, 112.60 ppm; 3.88 A): 3 out of 12 assignments used, quality = 1.00: * HB3 ASN 74 + HD22 ASN 74 OK 100 100 - 100 - 3.5=100 HB3 ASN 80 + HD22 ASN 80 OK 66 66 - 100 - 3.5=100 HB2 ASN 74 + HD22 ASN 74 OK 57 57 - 100 - 3.5=100 HB3 ASN 74 - HD22 ASN 80 OK 19 97 - 19 - 3.5/452=4, 1.8/3059=3...(8) HB3 ASN 80 - HD22 ASN 74 OK 14 71 - 19 - 1.8/6017=6, 3.5/6013=4...(7) HB2 ASN 74 - HD22 ASN 80 poor 10 53 - 18 - 3.5/452=4, ~5881=3...(7) HB3 ASN 42 - HD22 ASN 80 lone 6 73 - 8 - ~6023=2, 6023/1.7=1 HB3 ASN 42 - HD22 ASN 74 lone 6 78 - 7 - 450/1.7=2, ~450=1 HB2 ASN 42 - HD22 ASN 80 lone 6 68 - 8 - ~6023=2, 6023/1.7=1 HB2 ASN 42 - HD22 ASN 74 lone 6 73 - 7 - 450/1.7=2, ~450=1 HB2 TYR 55 - HD22 ASN 74 lone 2 83 - 2 - HB2 TYR 55 - HD22 ASN 80 lone 1 77 - 1 - Peak 457 from nnoeabs.peaks (7.61, 6.90, 112.60 ppm; 2.43 A): 1 out of 6 assignments used, quality = 1.00: * HD21 ASN 74 + HD22 ASN 74 OK 100 100 - 100 - 1.7=100 HD21 ASN 74 - HD22 ASN 80 OK 12 97 - 12 - 452=5, ~6013=1, ~6016=1, ~6015=1 H VAL 41 - HD22 ASN 74 lone 3 92 - 3 - H VAL 41 - HD22 ASN 80 lone 2 87 - 2 - HD21 ASN 42 - HD22 ASN 74 lone 2 93 - 2 - HD21 ASN 42 - HD22 ASN 80 lone 1 88 - 1 - Peak 458 from nnoeabs.peaks (6.90, 6.90, 112.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 74 + HD22 ASN 74 OK 100 100 - 100 HD22 ASN 80 + HD22 ASN 80 OK 95 95 - 100 Peak 463 from nnoeabs.peaks (8.24, 8.24, 125.71 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ALA 12 + H ALA 12 OK 100 100 - 100 H VAL 90 - H VAL 90 OK 28 28 - 100 Peak 464 from nnoeabs.peaks (4.26, 8.24, 125.71 ppm; 4.68 A): 1 out of 28 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 - 100 - 3.0=100 HA LYS 75 - H ALA 12 lone 7 93 - 7 - 8/4.6=3 HA THR 15 - H ALA 12 lone 6 96 - 7 - 4.9/5923=2 HA LEU 64 - H ALA 12 lone 6 100 - 6 - HA THR 88 - H VAL 90 poor 6 36 - 16 - 408/4.6=15 HA LYS 39 - H ALA 12 lone 5 99 - 5 - 8/4.6=2 HA GLU 19 - H ALA 12 lone 4 100 - 4 - HA LYS 83 - H ALA 12 lone 4 92 - 4 - 8/4.6=1 HA ARG 17 - H ALA 12 lone 4 83 - 5 - HA LYS 85 - H ALA 12 lone 3 60 - 5 - 8/4.6=2 HA ALA 77 - H ALA 12 lone 3 71 - 4 - HA LEU 64 - H VAL 90 lone 3 54 - 5 - 2617/4.4=2 HA ALA 20 - H ALA 12 lone 3 100 - 3 - HA SER 60 - H ALA 12 lone 3 83 - 3 - HA ALA 12 - H VAL 90 lone 2 54 - 4 - HA GLU 19 - H VAL 90 lone 2 54 - 4 - HA THR 88 - H ALA 12 lone 2 78 - 2 - HA LYS 83 - H VAL 90 lone 2 45 - 4 - HA ASP 38 - H ALA 12 lone 1 81 - 2 - HA ARG 17 - H VAL 90 lone 1 38 - 3 - 408/4.6=1 HA LYS 85 - H VAL 90 lone 1 26 - 5 - 3.0/5995=1 HA THR 15 - H VAL 90 lone 1 48 - 3 - HA LYS 75 - H VAL 90 lone 1 46 - 3 - HA ALA 20 - H VAL 90 lone 1 53 - 2 - HA LYS 39 - H VAL 90 lone 1 51 - 2 - HA ALA 77 - H VAL 90 lone 1 31 - 3 - HA ASP 38 - H VAL 90 lone 1 37 - 2 - HA SER 60 - H VAL 90 lone 1 38 - 1 - Peak 465 from nnoeabs.peaks (1.33, 8.24, 125.71 ppm; 3.76 A): 1 out of 16 assignments used, quality = 1.00: * QB ALA 12 + H ALA 12 OK 100 100 - 100 - 2.9=100 QB ALA 28 - H ALA 12 lone 7 99 - 7 - 985/3.0=1 HB2 LEU 52 - H ALA 12 lone 6 100 - 6 - 9/4.6=2, 985/3.0=2 QB ALA 16 - H ALA 12 lone 4 65 - 6 - 986=1 QB ALA 28 - H VAL 90 lone 3 52 - 6 - 4177/4.4=3, 4181/3.0=1 HB2 LEU 51 - H ALA 12 lone 3 97 - 3 - HG3 LYS 32 - H ALA 12 lone 3 100 - 2 - HB2 LEU 51 - H VAL 90 lone 2 49 - 4 - QB ALA 12 - H VAL 90 lone 2 54 - 3 - QG2 THR 58 - H ALA 12 lone 1 83 - 1 - HB2 LEU 52 - H VAL 90 lone 1 53 - 2 - HG2 ARG 54 - H ALA 12 lone 1 68 - 1 - HG3 LYS 32 - H VAL 90 lone 0 53 - 1 - QB ALA 16 - H VAL 90 lone 0 28 - 1 - QG2 THR 58 - H VAL 90 lone 0 38 - 1 - HG2 ARG 54 - H VAL 90 lone 0 30 - 1 - Peak 466 from nnoeabs.peaks (8.27, 8.27, 122.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + H LYS 13 OK 100 100 - 100 Peak 467 from nnoeabs.peaks (4.54, 8.27, 122.13 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 - 100 - 3.0=100 HA LEU 43 + H LYS 13 OK 55 99 - 55 - 1010/3.9=8, 4801/4.8=7...(18) HA PRO 44 - H LYS 13 poor 8 65 - 12 - 4.8/989=4, ~2072=2...(5) Peak 468 from nnoeabs.peaks (1.79, 8.27, 122.13 ppm; 4.15 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LYS 13 + H LYS 13 OK 100 100 - 100 - 3.9=100 HB2 LYS 85 - H LYS 13 OK 24 95 - 25 - 1.8/5995=4, 2.9/471=3...(9) HB3 LYS 75 - H LYS 13 OK 22 100 - 22 - 3.0/8=4, 1011/3.9=3...(10) HB3 LYS 39 - H LYS 13 OK 18 99 - 18 - 3.0/8=3, 2.9/470=2...(7) HB2 ARG 69 - H LYS 13 OK 14 95 - 15 - 4820/4.8=3, 4813/4.8=2...(7) HB3 LYS 73 - H LYS 13 OK 13 96 - 14 - 1011/3.9=2, 1021/4.9=2...(5) HB2 LYS 83 - H LYS 13 lone 8 99 - 8 - 3.0/8=1, 1.8/5995=1 HB ILE 33 - H LYS 13 poor 8 81 - 10 - 1021/4.9=1, 1655/4.9=1...(4) HB2 LYS 32 - H LYS 13 lone 6 90 - 6 - 2.9/9=1 HB3 LYS 32 - H LYS 13 lone 6 90 - 6 - 2.9/9=1 HB2 PRO 34 - H LYS 13 lone 5 97 - 6 - 4813/4.8=1, 4820/4.8=1 HB2 LEU 57 - H LYS 13 lone 5 76 - 7 - 1.8/471=1 HB3 ARG 84 - H LYS 13 lone 4 95 - 4 - HB3 ARG 82 - H LYS 13 lone 2 73 - 3 - HB2 ARG 54 - H LYS 13 lone 2 73 - 3 - Peak 469 from nnoeabs.peaks (1.68, 8.27, 122.13 ppm; 3.58 A): 3 out of 12 assignments used, quality = 0.95: * HB3 LYS 13 + H LYS 13 OK 83 100 - 83 - 3.9=78, 3.0/470=10...(7) HD3 LYS 13 + H LYS 13 OK 45 90 - 49 - 6.1=20, 2.9/470=10...(14) HD2 LYS 13 + H LYS 13 OK 45 90 - 49 - 6.1=20, 2.9/470=10...(14) HD3 LYS 75 - H LYS 13 OK 12 89 - 13 - 4.7/8=2, 3.5/468=2...(6) HD2 LYS 75 - H LYS 13 OK 12 89 - 13 - 4.7/8=2, 3.5/468=2...(6) HB3 LEU 64 - H LYS 13 lone 5 90 - 5 - HG LEU 29 - H LYS 13 lone 4 99 - 4 - HG3 ARG 66 - H LYS 13 lone 3 93 - 4 - 5907/4.8=1, 4821/4.8=1 HB2 ARG 82 - H LYS 13 lone 2 95 - 2 - HB3 GLN 61 - H LYS 13 lone 1 78 - 2 - HG2 ARG 23 - H LYS 13 lone 1 97 - 1 - HG2 ARG 70 - H LYS 13 lone 1 65 - 1 - Peak 470 from nnoeabs.peaks (1.42, 8.27, 122.13 ppm; 4.34 A): 4 out of 7 assignments used, quality = 0.95: * HG2 LYS 13 + H LYS 13 OK 84 100 - 84 - 4.9=69, 3.0/469=15...(14) HB3 LEU 43 + H LYS 13 OK 53 93 - 57 - 2017/3.0=13, 3.0/467=12...(14) HG13 ILE 89 + H LYS 13 OK 17 90 - 19 - 3.2/4040=4, 2.9/5903=3...(6) HG3 LYS 39 + H LYS 13 OK 15 85 - 17 - 1013/3.9=3, 2.9/468=2...(7) HB3 ARG 69 - H LYS 13 poor 7 60 - 12 - 1.8/468=2, 1013/3.9=2...(6) HG12 ILE 33 - H LYS 13 lone 7 81 - 9 - 1013/3.9=2, 3.0/468=1 QB ALA 30 - H LYS 13 lone 4 78 - 5 - 1013/3.9=1 Peak 471 from nnoeabs.peaks (1.46, 8.27, 122.13 ppm; 4.49 A): 2 out of 9 assignments used, quality = 0.94: * HG3 LYS 13 + H LYS 13 OK 88 100 - 88 - 4.9=76, 3.0/469=16...(13) HB3 LEU 43 + H LYS 13 OK 49 85 - 58 - 2017/3.0=13, 3.0/467=12...(14) HG3 LYS 85 - H LYS 13 OK 25 100 - 25 - 1030/3.0=4, 2.9/5995=4...(10) HB3 LEU 52 - H LYS 13 OK 17 89 - 19 - 2266/4.8=5, 1.8/9=5...(6) HG13 ILE 89 - H LYS 13 OK 17 89 - 19 - 3.2/4040=4, 2.9/5903=3...(6) HG2 LYS 73 - H LYS 13 OK 11 78 - 14 - 1014/3.9=2, 1030/3.0=2...(5) HG12 ILE 33 - H LYS 13 poor 10 96 - 10 - 1014/3.9=2, 1024/4.9=2...(4) HB3 LEU 57 - H LYS 13 lone 8 96 - 8 - 1014/3.9=1 QB ALA 30 - H LYS 13 lone 6 97 - 6 - 1014/3.9=1 Peak 476 from nnoeabs.peaks (8.20, 8.20, 114.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 15 + H THR 15 OK 100 100 - 100 Peak 477 from nnoeabs.peaks (4.25, 8.20, 114.71 ppm; 4.50 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 15 + H THR 15 OK 100 100 - 100 - 3.0=100 HA LEU 64 - H THR 15 OK 16 93 - 17 - 3.0/5906=3, 3.9/5013=3...(6) HB THR 37 - H THR 15 OK 14 76 - 18 - 2.1/479=5, ~1131=3...(7) HA LYS 83 - H THR 15 OK 12 100 - 12 - 1137/3.9=2, 3999=2...(5) HA ALA 77 - H THR 15 lone 7 95 - 7 - 1137/3.9=1, 1133/4.0=1 HA GLU 19 - H THR 15 lone 6 97 - 6 - HA LYS 85 - H THR 15 lone 5 89 - 6 - HA LYS 75 - H THR 15 lone 5 100 - 5 - HA ALA 20 - H THR 15 lone 5 92 - 5 - 18/4.6=1 HA LYS 39 - H THR 15 lone 5 100 - 4 - HA ALA 12 - H THR 15 lone 4 96 - 4 - Peak 478 from nnoeabs.peaks (4.17, 8.20, 114.71 ppm; 4.38 A): 1 out of 8 assignments used, quality = 1.00: * HB THR 15 + H THR 15 OK 100 100 - 100 - 4.0=100 HA ARG 84 - H THR 15 OK 12 89 - 13 - 1130/3.0=2, 1138/3.9=2...(6) HA LEU 29 - H THR 15 OK 11 99 - 11 - 3.0/76=2, 1130/3.0=2...(6) HA LYS 73 - H THR 15 lone 5 98 - 5 - 1130/3.0=1 HA ALA 53 - H THR 15 lone 4 100 - 4 - 1138/3.9=1, 1130/3.0=1 HA ARG 82 - H THR 15 lone 4 98 - 4 - 1130/3.0=1 HA ILE 89 - H THR 15 lone 4 100 - 4 - HA ASN 49 - H THR 15 lone 2 60 - 3 - Peak 479 from nnoeabs.peaks (1.19, 8.20, 114.71 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 15 + H THR 15 OK 100 100 - 100 - 3.9=100 QG2 THR 37 - H THR 15 OK 19 83 - 23 - 1131/3.0=4, 5107=4...(8) HG LEU 52 - H THR 15 lone 9 100 - 9 - 1131/3.0=3, 1135/4.0=2, 20/4.6=2 QG2 VAL 65 - H THR 15 lone 4 81 - 5 - 1131/3.0=1 HG13 ILE 33 - H THR 15 lone 2 63 - 3 - Peak 480 from nnoeabs.peaks (8.36, 8.36, 126.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 16 + H ALA 16 OK 100 100 - 100 Peak 481 from nnoeabs.peaks (4.31, 8.36, 126.99 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 16 + H ALA 16 OK 100 100 - 100 - 2.9=100 HA LEU 86 - H ALA 16 lone 7 99 - 7 - 22/4.6=2, 1144/2.9=1 HA PRO 34 - H ALA 16 lone 5 99 - 5 - ~1714=1, ~1707=1, 1144/2.9=1 HA GLU 87 - H ALA 16 lone 4 99 - 4 - HA THR 88 - H ALA 16 lone 1 57 - 2 - Peak 482 from nnoeabs.peaks (1.36, 8.36, 126.99 ppm; 3.88 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 - 100 - 2.9=100 QB ALA 20 - H ALA 16 lone 8 87 - 10 - 2.1/18=2, 1142/2.9=2...(4) QB ALA 28 - H ALA 16 lone 6 81 - 7 - 5532/4.2=2 QB ALA 77 - H ALA 16 lone 6 90 - 6 - 2.1/18=1, 1142/2.9=1 HB2 LEU 52 - H ALA 16 lone 4 73 - 6 - 3.0/20=2 QB ALA 12 - H ALA 16 lone 4 65 - 6 - 2.1/18=1 HG2 LYS 83 - H ALA 16 lone 3 98 - 3 - HG2 LYS 85 - H ALA 16 lone 2 87 - 2 - HG3 LYS 73 - H ALA 16 lone 2 63 - 2 - HG3 ARG 69 - H ALA 16 lone 1 89 - 2 - QB ALA 78 - H ALA 16 lone 1 63 - 2 - Peak 483 from nnoeabs.peaks (8.38, 8.38, 120.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 17 + H ARG 17 OK 100 100 - 100 Peak 484 from nnoeabs.peaks (4.28, 8.38, 120.73 ppm; 3.65 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 17 + H ARG 17 OK 100 100 - 100 - 3.0=100 HA LEU 64 - H ARG 17 OK 28 87 - 32 - 3.0/935=5, 3914=4...(13) HA ALA 20 - H ARG 17 OK 11 89 - 12 - 3725=3, 2.1/23=2, 3725/4.7=2 HA GLU 19 - H ARG 17 lone 7 81 - 9 - 4822/4.7=2, 4.5/23=1, 1146=1 HA LEU 86 - H ARG 17 lone 7 73 - 9 - 1163/4.0=1, 1155/4.0=1 HA SER 60 - H ARG 17 lone 4 100 - 4 - HA THR 88 - H ARG 17 lone 4 100 - 4 - HA LYS 39 - H ARG 17 lone 3 63 - 5 - HA ALA 12 - H ARG 17 lone 3 83 - 3 - HA ASP 38 - H ARG 17 lone 3 100 - 3 - Peak 485 from nnoeabs.peaks (1.84, 8.38, 120.73 ppm; 4.49 A): 1 out of 11 assignments used, quality = 1.00: * HB2 ARG 17 + H ARG 17 OK 100 100 - 100 - 4.0=100 HB2 ARG 71 - H ARG 17 OK 32 95 - 35 - 2.8/486=6, 1148/3.0=5...(13) HB3 ARG 71 - H ARG 17 OK 32 93 - 35 - 2.8/486=6, 1148/3.0=5...(13) HB2 ARG 27 - H ARG 17 OK 17 95 - 18 - 1148/3.0=2, 2.9/488=2...(10) HB3 ARG 27 - H ARG 17 OK 17 93 - 18 - 1148/3.0=2, 2.9/488=2...(10) HB2 ARG 23 - H ARG 17 lone 9 99 - 9 - 1148/3.0=1, 3.0/3917=1 HB3 ARG 23 - H ARG 17 lone 9 99 - 9 - 1148/3.0=1, 3.0/3917=1 HB2 LYS 73 - H ARG 17 lone 6 89 - 6 - HB2 LYS 39 - H ARG 17 lone 6 92 - 6 - HB ILE 89 - H ARG 17 lone 4 90 - 4 - HB2 LYS 75 - H ARG 17 lone 3 100 - 3 - Peak 486 from nnoeabs.peaks (1.74, 8.38, 120.73 ppm; 4.07 A): 1 out of 16 assignments used, quality = 1.00: * HB3 ARG 17 + H ARG 17 OK 100 100 - 100 - 4.0=100 HG3 ARG 71 - H ARG 17 OK 33 99 - 34 - 1149/3.0=6, 2.8/485=4...(14) HG3 ARG 26 - H ARG 17 OK 20 100 - 20 - 1149/3.0=3, 1.8/488=2...(9) HB2 LEU 62 - H ARG 17 OK 14 100 - 14 - 3.0/4674=4, 4.6/5779=3...(4) HB2 ARG 84 - H ARG 17 poor 9 89 - 10 - 1149/3.0=2, 1162=1 HG2 PRO 34 - H ARG 17 lone 5 90 - 5 - 1721/3.6=2 HB ILE 33 - H ARG 17 lone 3 71 - 4 - 3.2/4211=2 HB3 ARG 82 - H ARG 17 lone 3 78 - 3 - HB2 LEU 43 - H ARG 17 lone 2 85 - 3 - HB2 LEU 57 - H ARG 17 lone 2 76 - 3 - HB3 LYS 85 - H ARG 17 lone 2 81 - 3 - HB2 LYS 32 - H ARG 17 lone 2 57 - 4 - HB3 LYS 32 - H ARG 17 lone 2 57 - 4 - HB2 LEU 29 - H ARG 17 lone 2 65 - 3 - HB2 ARG 54 - H ARG 17 lone 2 78 - 2 - HB3 LYS 83 - H ARG 17 lone 1 68 - 2 - Peak 487 from nnoeabs.peaks (1.62, 8.38, 120.73 ppm; 4.53 A): 2 out of 16 assignments used, quality = 0.98: * HG2 ARG 17 + H ARG 17 OK 86 100 - 86 - 5.0=75, 1151/3.0=10...(12) HG3 ARG 17 + H ARG 17 OK 86 100 - 86 - 5.0=75, 1151/3.0=10...(12) HG2 ARG 71 - H ARG 17 OK 34 100 - 35 - 1.8/486=7, 2.8/485=5...(15) HG2 ARG 27 - H ARG 17 OK 20 95 - 21 - 2.9/485=2, 2.9/485=2...(10) HG3 ARG 27 - H ARG 17 OK 20 93 - 21 - 2.9/485=2, 2.9/485=2...(10) HG2 ARG 26 - H ARG 17 OK 19 100 - 19 - 1.8/486=4, ~1149=3...(7) HB2 LEU 86 - H ARG 17 OK 13 100 - 13 - 3.0/22=3, 3521/3.0=2...(4) HG2 ARG 84 - H ARG 17 poor 9 71 - 13 - 3.0/486=2, 1150/3.0=1 HG3 ARG 84 - H ARG 17 poor 9 71 - 13 - 3.0/486=2, 1150/3.0=1 HG LEU 86 - H ARG 17 poor 9 83 - 11 - 4.3/22=3, ~3549=1, ~3521=1 HD3 LYS 73 - H ARG 17 lone 7 99 - 7 - HD2 LYS 73 - H ARG 17 lone 7 99 - 7 - HD3 LYS 32 - H ARG 17 lone 5 99 - 5 - HD2 LYS 32 - H ARG 17 lone 5 99 - 5 - HG3 ARG 70 - H ARG 17 lone 3 99 - 3 - HB3 LEU 51 - H ARG 17 lone 2 85 - 2 - Peak 488 from nnoeabs.peaks (1.62, 8.38, 120.73 ppm; 4.53 A): 2 out of 16 assignments used, quality = 0.98: * HG3 ARG 17 + H ARG 17 OK 86 100 - 86 - 5.0=75, 1151/3.0=10...(12) HG2 ARG 17 + H ARG 17 OK 86 100 - 86 - 5.0=75, 1151/3.0=10...(12) HG2 ARG 71 - H ARG 17 OK 34 100 - 35 - 1.8/486=7, 2.8/485=5...(15) HG2 ARG 27 - H ARG 17 OK 20 96 - 22 - 2.9/485=2, 2.9/485=2...(10) HG3 ARG 27 - H ARG 17 OK 20 95 - 22 - 2.9/485=2, 2.9/485=2...(10) HG2 ARG 26 - H ARG 17 OK 19 100 - 19 - 1.8/486=4, ~1149=3...(7) HB2 LEU 86 - H ARG 17 OK 13 100 - 13 - 3.0/22=3, 3521/3.0=2...(4) HG2 ARG 84 - H ARG 17 poor 9 68 - 13 - 3.0/486=2, 1150/3.0=1 HG3 ARG 84 - H ARG 17 poor 9 68 - 13 - 3.0/486=2, 1150/3.0=1 HG LEU 86 - H ARG 17 poor 9 81 - 11 - 4.3/22=3, ~3549=1, ~3521=1 HD3 LYS 73 - H ARG 17 lone 7 98 - 7 - HD2 LYS 73 - H ARG 17 lone 7 98 - 7 - HD3 LYS 32 - H ARG 17 lone 5 99 - 5 - HD2 LYS 32 - H ARG 17 lone 5 98 - 5 - HG3 ARG 70 - H ARG 17 lone 3 99 - 3 - HB3 LEU 51 - H ARG 17 lone 2 83 - 2 - Peak 491 from nnoeabs.peaks (8.32, 8.32, 120.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 19 + H GLU 19 OK 100 100 - 100 Peak 492 from nnoeabs.peaks (4.26, 8.32, 120.92 ppm; 3.98 A): 1 out of 14 assignments used, quality = 1.00: * HA GLU 19 + H GLU 19 OK 100 100 - 100 - 3.0=100 HA ALA 20 - H GLU 19 OK 30 100 - 30 - ~498=5, ~27=5...(13) HA LYS 83 - H GLU 19 OK 12 93 - 12 - 3277=2, 3.0/3297=1...(4) HA LEU 64 - H GLU 19 OK 10 100 - 10 - 6135/4.6=3, 3914/4.6=2 HA THR 88 - H GLU 19 lone 6 76 - 8 - ~872=2, 1219/3.9=1 HA ARG 17 - H GLU 19 lone 5 81 - 7 - 3720/4.6=1 HA LYS 39 - H GLU 19 lone 4 99 - 4 - HA THR 15 - H GLU 19 lone 4 97 - 4 - HA ALA 77 - H GLU 19 lone 3 73 - 4 - HA LYS 75 - H GLU 19 lone 3 95 - 3 - HA LYS 85 - H GLU 19 lone 3 63 - 4 - HA ALA 12 - H GLU 19 lone 3 100 - 3 - HA ASP 38 - H GLU 19 lone 2 78 - 3 - HA SER 60 - H GLU 19 lone 1 81 - 2 - Peak 493 from nnoeabs.peaks (1.91, 8.32, 120.92 ppm; 3.88 A): 1 out of 11 assignments used, quality = 0.97: * HB2 GLU 19 + H GLU 19 OK 97 100 - 97 - 3.9=96, 3.0/495=8...(6) HB3 GLU 87 - H GLU 19 OK 40 100 - 40 - 1212=8, 1.8/494=7...(15) HG13 ILE 68 - H GLU 19 lone 8 93 - 8 - 2770/4.6=4, 1208/3.0=1 HG12 ILE 40 - H GLU 19 lone 7 100 - 7 - 4311/3.6=2, 4311/3.6=2 HB ILE 68 - H GLU 19 lone 7 95 - 8 - 2749/4.6=4, 1208/3.0=1 HB2 GLN 91 - H GLU 19 lone 7 95 - 7 - 1.8/494=1, 1208/3.0=1 HB VAL 41 - H GLU 19 lone 4 83 - 5 - 4333/3.0=1 HB3 ARG 26 - H GLU 19 lone 2 60 - 3 - HB3 PRO 14 - H GLU 19 lone 1 76 - 2 - HB2 MET 31 - H GLU 19 lone 1 68 - 1 - HB2 MET 11 - H GLU 19 lone 1 71 - 1 - Peak 494 from nnoeabs.peaks (2.04, 8.32, 120.92 ppm; 4.22 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 19 + H GLU 19 OK 100 100 - 100 - 3.9=100 HB2 GLU 87 + H GLU 19 OK 46 99 - 47 - 1.8/493=10, 1218=9...(15) HB2 GLU 25 - H GLU 19 lone 9 92 - 10 - 4.0/50=3 HB3 GLU 25 - H GLU 19 lone 9 90 - 10 - 4.0/50=3 HB3 GLN 91 - H GLU 19 lone 9 100 - 9 - 1.8/493=2, 1209/3.0=1, 1218=1 HB3 GLU 50 - H GLU 19 lone 7 100 - 7 - 1209/3.0=1 HB2 GLU 50 - H GLU 19 lone 7 100 - 7 - 1209/3.0=1 HD3 ARG 69 - H GLU 19 lone 4 99 - 4 - 29/4.6=1 HD2 ARG 69 - H GLU 19 lone 4 99 - 4 - 29/4.6=1 HB VAL 76 - H GLU 19 lone 2 99 - 2 - HG2 PRO 44 - H GLU 19 lone 2 98 - 2 - HB3 PRO 56 - H GLU 19 lone 2 99 - 2 - HG2 PRO 56 - H GLU 19 lone 2 100 - 2 - HB VAL 90 - H GLU 19 lone 1 83 - 1 - HG2 ARG 66 - H GLU 19 lone 1 63 - 2 - HB VAL 45 - H GLU 19 lone 1 65 - 1 - Peak 495 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.97: HG3 GLU 19 + H GLU 19 OK 83 100 - 83 - 4.9=66, 3.0/493=19...(10) * HG2 GLU 19 + H GLU 19 OK 83 100 - 83 - 4.9=66, 3.0/493=19...(10) HG3 GLU 87 - H GLU 19 OK 41 92 - 45 - 3.0/493=8, 3.0/494=7...(16) HG2 GLU 87 - H GLU 19 OK 40 90 - 45 - 3.0/493=8, 3.0/494=7...(16) HG2 GLU 25 - H GLU 19 lone 6 63 - 9 - 5.0/50=2, 3.0/494=1, 3.0/494=1 HG3 GLU 50 - H GLU 19 lone 5 73 - 6 - 3.0/494=1, 3.0/494=1 Peak 496 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.97: * HG3 GLU 19 + H GLU 19 OK 83 100 - 83 - 4.9=66, 3.0/493=19...(10) HG2 GLU 19 + H GLU 19 OK 83 100 - 83 - 4.9=66, 3.0/493=19...(10) HG3 GLU 87 - H GLU 19 OK 41 92 - 45 - 3.0/493=8, 3.0/494=7...(16) HG2 GLU 87 - H GLU 19 OK 40 90 - 45 - 3.0/493=8, 3.0/494=7...(16) HG2 GLU 25 - H GLU 19 lone 6 63 - 9 - 5.0/50=2, 3.0/494=1, 3.0/494=1 HG3 GLU 50 - H GLU 19 lone 5 73 - 6 - 3.0/494=1, 3.0/494=1 Peak 497 from nnoeabs.peaks (8.45, 8.45, 124.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 20 + H ALA 20 OK 100 100 - 100 Peak 498 from nnoeabs.peaks (4.26, 8.45, 124.95 ppm; 3.31 A): 2 out of 13 assignments used, quality = 1.00: * HA ALA 20 + H ALA 20 OK 100 100 - 100 - 3.0=100 HA GLU 19 + H ALA 20 OK 84 100 - 85 - 3.6=80, 3.0/29=8...(9) HA LEU 64 - H ALA 20 OK 14 100 - 14 - 6135=3, 33/4.5=3, 3.9/6134=2 HA ARG 17 - H ALA 20 lone 7 89 - 8 - 3720=1 HA LYS 83 - H ALA 20 lone 5 87 - 5 - 3720=1 HA ALA 77 - H ALA 20 lone 4 63 - 7 - 2.1/1239=2 HA THR 88 - H ALA 20 lone 4 85 - 4 - 3.0/5900=1 HA LYS 75 - H ALA 20 lone 3 89 - 4 - HA LYS 39 - H ALA 20 lone 3 97 - 3 - HA THR 15 - H ALA 20 lone 3 92 - 3 - HA ASP 38 - H ALA 20 lone 2 87 - 3 - HA ALA 12 - H ALA 20 lone 2 100 - 2 - HA SER 60 - H ALA 20 lone 1 89 - 1 - Peak 499 from nnoeabs.peaks (1.38, 8.45, 124.95 ppm; 3.41 A): 1 out of 13 assignments used, quality = 1.00: * QB ALA 20 + H ALA 20 OK 100 100 - 100 - 2.9=100 QB ALA 77 - H ALA 20 lone 9 100 - 9 - 1239=3, 34/4.5=1 HB3 ARG 69 - H ALA 20 lone 9 89 - 10 - 4.0/288=3, 4.3/5826=1 HG3 ARG 69 - H ALA 20 lone 9 100 - 9 - 4.7/288=2, 3.0/29=1, 3.0/29=1 QB ALA 78 - H ALA 20 lone 6 97 - 6 - 1239=2, 4.6/1239=1 QB ALA 16 - H ALA 20 lone 5 87 - 6 - 1239=1 HG3 LYS 75 - H ALA 20 lone 3 96 - 3 - HG2 LYS 75 - H ALA 20 lone 3 96 - 3 - HG2 LYS 83 - H ALA 20 lone 2 98 - 2 - HG2 LYS 85 - H ALA 20 lone 2 100 - 2 - HG3 LYS 39 - H ALA 20 lone 2 65 - 3 - HG3 LYS 73 - H ALA 20 lone 2 97 - 2 - QB ALA 53 - H ALA 20 lone 1 92 - 1 - Peak 500 from nnoeabs.peaks (8.39, 8.39, 107.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 21 + H GLY 21 OK 100 100 - 100 Peak 501 from nnoeabs.peaks (3.95, 8.39, 107.77 ppm; 3.52 A): 2 out of 13 assignments used, quality = 1.00: * HA2 GLY 21 + H GLY 21 OK 100 100 - 100 - 2.9=100 HA3 GLY 21 + H GLY 21 OK 100 100 - 100 - 2.9=100 HA GLN 61 - H GLY 21 lone 9 95 - 10 - 4.7/4674=2, 5758=2 HA LEU 62 - H GLY 21 poor 8 63 - 13 - 3.6/5779=3, 4674=2...(4) HA ALA 28 - H GLY 21 lone 6 99 - 6 - HA ARG 66 - H GLY 21 lone 5 71 - 8 - 3.0/271=4 HA GLU 50 - H GLY 21 lone 4 96 - 5 - HA3 GLY 18 - H GLY 21 lone 4 76 - 6 - 5494/3.6=2 HA2 GLY 18 - H GLY 21 lone 4 73 - 6 - 5494/3.6=2 HA VAL 76 - H GLY 21 lone 4 90 - 4 - HA THR 37 - H GLY 21 lone 3 90 - 3 - HA2 GLY 72 - H GLY 21 lone 2 97 - 2 - HA LYS 32 - H GLY 21 lone 1 71 - 2 - Peak 502 from nnoeabs.peaks (3.95, 8.39, 107.77 ppm; 3.52 A): 2 out of 13 assignments used, quality = 1.00: * HA3 GLY 21 + H GLY 21 OK 100 100 - 100 - 2.9=100 HA2 GLY 21 + H GLY 21 OK 100 100 - 100 - 2.9=100 HA GLN 61 - H GLY 21 lone 9 93 - 10 - 4.7/4674=2, 5758=2 HA LEU 62 - H GLY 21 poor 8 65 - 13 - 3.6/5779=3, 4674=3...(4) HA ALA 28 - H GLY 21 lone 6 99 - 6 - HA ARG 66 - H GLY 21 lone 5 68 - 8 - 3.0/271=4 HA GLU 50 - H GLY 21 lone 4 95 - 5 - HA3 GLY 18 - H GLY 21 lone 4 78 - 6 - 5494/3.6=2 HA2 GLY 18 - H GLY 21 lone 4 76 - 6 - 5494/3.6=2 HA VAL 76 - H GLY 21 lone 4 89 - 4 - HA THR 37 - H GLY 21 lone 3 92 - 3 - HA2 GLY 72 - H GLY 21 lone 2 96 - 2 - HA LYS 32 - H GLY 21 lone 1 68 - 2 - Peak 503 from nnoeabs.peaks (8.21, 8.21, 115.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 22 + H SER 22 OK 100 100 - 100 Peak 504 from nnoeabs.peaks (4.45, 8.21, 115.99 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 22 + H SER 22 OK 100 100 - 100 - 2.9=100 HA PRO 14 - H SER 22 OK 35 99 - 35 - 3708=8, ~5500=7...(8) HA TYR 81 - H SER 22 OK 30 96 - 32 - 1248=5, 1251/3.9=5...(10) HA MET 31 - H SER 22 poor 7 65 - 11 - 3.0/4152=3, 6117=2 HA THR 58 - H SER 22 lone 5 92 - 5 - HA ASP 67 - H SER 22 lone 1 60 - 2 - Peak 505 from nnoeabs.peaks (4.01, 8.21, 115.99 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 22 + H SER 22 OK 100 100 - 100 - 3.9=100 HA ARG 54 - H SER 22 OK 11 100 - 11 - 1258/3.9=4, 1250/2.9=4, 40/4.6=2 HA ARG 70 - H SER 22 lone 6 98 - 6 - 1250/2.9=1, 40/4.6=1 HD2 PRO 44 - H SER 22 lone 4 65 - 6 - 2.3/4152=2 HA PHE 48 - H SER 22 lone 3 87 - 4 - Peak 506 from nnoeabs.peaks (3.89, 8.21, 115.99 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 22 + H SER 22 OK 100 100 - 100 - 3.9=100 HA LEU 51 - H SER 22 lone 9 100 - 9 - 1255/3.9=4, 1251/2.9=3 HA ILE 33 - H SER 22 lone 3 100 - 3 - HD2 PRO 36 - H SER 22 lone 2 78 - 2 - Peak 507 from nnoeabs.peaks (8.49, 8.49, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + H ARG 23 OK 100 100 - 100 Peak 508 from nnoeabs.peaks (4.13, 8.49, 122.99 ppm; 5.11 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 23 + H ARG 23 OK 100 100 - 100 - 3.0=100 HA ARG 27 + H ARG 23 OK 47 97 - 49 - 1260=11, 43/4.6=10...(15) HA ALA 30 - H ARG 23 OK 16 98 - 16 - ~5388=3, ~4807=3...(7) HA ASN 49 - H ARG 23 lone 6 96 - 7 - 43/4.6=2 HB THR 88 - H ARG 23 lone 6 99 - 6 - ~3595=1 HA GLN 91 - H ARG 23 lone 4 99 - 4 - Peak 509 from nnoeabs.peaks (1.85, 8.49, 122.99 ppm; 4.39 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 23 + H ARG 23 OK 100 100 - 100 - 4.0=100 HB3 ARG 23 + H ARG 23 OK 100 100 - 100 - 4.0=100 HB2 ARG 27 - H ARG 23 OK 32 99 - 32 - 3.0/508=7, 1276=4...(10) HB3 ARG 27 - H ARG 23 OK 32 99 - 32 - 3.0/508=7, 1276=4...(11) HB2 ARG 71 - H ARG 23 OK 12 99 - 12 - 1276=2, 1.8/1276=1...(4) HB3 ARG 71 - H ARG 23 OK 12 99 - 12 - 1276=2, 1.8/1276=1...(4) HB2 LYS 39 - H ARG 23 lone 7 99 - 7 - 1846/4.9=1, 5499/4.4=1 HB2 LYS 75 - H ARG 23 lone 6 100 - 6 - HB2 ARG 17 - H ARG 23 lone 5 99 - 5 - HB2 ARG 66 - H ARG 23 lone 4 60 - 6 - 2.8/511=1 HB3 PRO 34 - H ARG 23 lone 2 65 - 3 - 5497/4.4=2 HB ILE 89 - H ARG 23 lone 2 76 - 3 - HB2 LYS 73 - H ARG 23 lone 2 73 - 2 - Peak 510 from nnoeabs.peaks (1.85, 8.49, 122.99 ppm; 4.39 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 23 + H ARG 23 OK 100 100 - 100 - 4.0=100 HB2 ARG 23 + H ARG 23 OK 100 100 - 100 - 4.0=100 HB2 ARG 27 - H ARG 23 OK 32 100 - 32 - 3.0/508=7, 1276=4...(11) HB3 ARG 27 - H ARG 23 OK 32 99 - 32 - 3.0/508=7, 1276=4...(11) HB2 ARG 71 - H ARG 23 OK 12 100 - 12 - 1276=2, 1.8/1276=1...(4) HB3 ARG 71 - H ARG 23 OK 12 99 - 12 - 1276=2, 1.8/1276=1...(4) HB2 LYS 39 - H ARG 23 lone 7 99 - 7 - 1846/4.9=1, 5499/4.4=1 HB2 LYS 75 - H ARG 23 lone 6 100 - 6 - HB2 ARG 17 - H ARG 23 lone 5 99 - 5 - HB2 ARG 66 - H ARG 23 lone 4 63 - 6 - 2.8/511=1 HB3 PRO 34 - H ARG 23 lone 2 68 - 3 - 5497/4.4=2 HB ILE 89 - H ARG 23 lone 2 73 - 3 - HB2 LYS 73 - H ARG 23 lone 2 71 - 2 - Peak 511 from nnoeabs.peaks (1.67, 8.49, 122.99 ppm; 5.48 A): 1 out of 11 assignments used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 - 100 - 4.9=100 HB3 LEU 64 - H ARG 23 OK 12 65 - 19 - 2630/4.9=4, ~1265=3...(7) HB2 ARG 82 - H ARG 23 OK 11 73 - 15 - 4.4/5502=3, 5480/4.9=3...(7) HB3 GLN 61 - H ARG 23 OK 11 97 - 11 - 5504/4.6=4, 4.0/242=3...(4) HG3 ARG 66 - H ARG 23 poor 8 71 - 11 - 5504/4.6=1, 1264/3.0=1 HD3 LYS 75 - H ARG 23 lone 8 99 - 8 - 1264/3.0=1, 5504/4.6=1, ~1264=1 HD2 LYS 75 - H ARG 23 lone 8 99 - 8 - 1264/3.0=1, 5504/4.6=1, ~1264=1 HD3 LYS 13 - H ARG 23 lone 6 100 - 6 - HD2 LYS 13 - H ARG 23 lone 6 100 - 6 - HG LEU 29 - H ARG 23 lone 5 100 - 5 - HB3 LYS 13 - H ARG 23 lone 5 97 - 5 - Peak 515 from nnoeabs.peaks (8.34, 8.34, 120.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 24 + H ASP 24 OK 100 100 - 100 Peak 516 from nnoeabs.peaks (4.49, 8.34, 120.23 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 24 + H ASP 24 OK 100 100 - 100 - 3.0=100 HA ASP 46 - H ASP 24 OK 30 99 - 30 - 3.0/517=7, 1321/4.0=6...(8) HA ASP 67 - H ASP 24 lone 7 97 - 7 - 1321/4.0=1, 51/4.6=1 HA TYR 81 - H ASP 24 lone 4 65 - 6 - Peak 517 from nnoeabs.peaks (2.56, 8.34, 120.23 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.78: * HB2 ASP 24 + H ASP 24 OK 72 100 - 72 - 4.0=67, 52/4.6=11...(4) HB3 ASP 46 + H ASP 24 OK 21 99 - 21 - 1318/3.0=7, 3.0/516=5...(5) HB2 GLN 61 - H ASP 24 lone 5 63 - 7 - 1.8/5504=2, 1318/3.0=1...(4) Peak 518 from nnoeabs.peaks (2.59, 8.34, 120.23 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.76: * HB3 ASP 24 + H ASP 24 OK 71 100 - 71 - 4.0=65, 53/4.6=11, 5524/3.6=2 HB3 ASP 47 + H ASP 24 OK 17 100 - 17 - 1319/3.0=6, 1323/4.0=3...(5) HG2 GLN 61 - H ASP 24 lone 9 95 - 10 - 1319/3.0=3, 1323/4.0=2...(4) Peak 520 from nnoeabs.peaks (4.09, 8.20, 121.35 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 25 + H GLU 25 OK 100 100 - 100 - 2.9=100 HA ARG 26 - H GLU 25 OK 39 83 - 47 - 3.0/904=18, 3.0/4833=4...(14) HA ARG 27 - H GLU 25 OK 19 65 - 30 - 5.0/5511=5, 3754=3...(13) HA ARG 71 - H GLU 25 OK 17 95 - 18 - 2.9/904=3, 55/4.6=2...(7) HA VAL 90 - H GLU 25 lone 4 95 - 4 - HA ALA 63 - H GLU 25 lone 2 65 - 3 - Peak 521 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 2 out of 15 assignments used, quality = 0.92: * HB2 GLU 25 + H GLU 25 OK 72 100 - 72 - 4.0=50, 3.0/524=13...(9) HB3 GLU 25 + H GLU 25 OK 72 100 - 72 - 4.0=50, 3.0/524=13...(9) HB3 GLU 19 - H GLU 25 lone 8 92 - 8 - 3.9/50=2, 3.0/523=1, 3.0/523=1 HG2 PRO 44 - H GLU 25 lone 6 99 - 6 - 2.3/5085=2, 5134/4.5=1 HB2 GLU 50 - H GLU 25 lone 3 95 - 3 - HB3 GLU 50 - H GLU 25 lone 3 95 - 3 - HB3 MET 31 - H GLU 25 lone 3 89 - 3 - HB VAL 76 - H GLU 25 lone 3 98 - 3 - HB2 GLU 87 - H GLU 25 lone 2 78 - 2 - HB3 GLN 91 - H GLU 25 lone 2 95 - 2 - HG2 PRO 56 - H GLU 25 lone 2 90 - 2 - HB3 PRO 56 - H GLU 25 lone 2 78 - 2 - HB VAL 45 - H GLU 25 lone 1 96 - 1 - HD2 ARG 69 - H GLU 25 lone 1 76 - 1 - HD3 ARG 69 - H GLU 25 lone 1 76 - 1 - Peak 522 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 2 out of 15 assignments used, quality = 0.92: * HB3 GLU 25 + H GLU 25 OK 72 100 - 72 - 4.0=50, 3.0/524=13...(9) HB2 GLU 25 + H GLU 25 OK 72 100 - 72 - 4.0=50, 3.0/524=13...(9) HB3 GLU 19 - H GLU 25 lone 7 90 - 8 - 3.9/50=2, 3.0/523=1, 3.0/523=1 HG2 PRO 44 - H GLU 25 lone 6 99 - 6 - 2.3/5085=2, 5134/4.5=1 HB2 GLU 50 - H GLU 25 lone 3 93 - 3 - HB3 GLU 50 - H GLU 25 lone 3 93 - 3 - HB3 MET 31 - H GLU 25 lone 3 90 - 3 - HB VAL 76 - H GLU 25 lone 3 97 - 3 - HB2 GLU 87 - H GLU 25 lone 2 76 - 2 - HB3 GLN 91 - H GLU 25 lone 2 93 - 2 - HG2 PRO 56 - H GLU 25 lone 2 89 - 2 - HB3 PRO 56 - H GLU 25 lone 2 76 - 2 - HB VAL 45 - H GLU 25 lone 1 97 - 1 - HD2 ARG 69 - H GLU 25 lone 1 73 - 1 - HD3 ARG 69 - H GLU 25 lone 1 73 - 1 - Peak 523 from nnoeabs.peaks (2.26, 8.20, 121.35 ppm; 3.96 A): 2 out of 4 assignments used, quality = 0.88: * HG2 GLU 25 + H GLU 25 OK 85 100 - 85 - 5.0=50, 1.8/524=27...(9) HB2 PRO 14 + H GLU 25 OK 20 89 - 23 - 2.3/3708=4, 1.8/4833=3...(10) HG3 GLU 19 - H GLU 25 poor 10 63 - 15 - 4.9/50=2, 1332/2.9=2...(7) HG2 GLU 19 - H GLU 25 poor 10 63 - 15 - 4.9/50=2, 1332/2.9=2...(7) Peak 524 from nnoeabs.peaks (2.30, 8.20, 121.35 ppm; 4.11 A): 2 out of 5 assignments used, quality = 0.88: * HG3 GLU 25 + H GLU 25 OK 86 100 - 86 - 5.0=56, 1.8/523=27...(10) HB2 PRO 14 + H GLU 25 OK 13 68 - 19 - 2.3/3708=4, 1.8/4833=3...(9) HG3 GLU 59 - H GLU 25 lone 7 78 - 9 - 4.2/5085=2, 1353/2.9=1, 1352=1 HG3 GLN 79 - H GLU 25 lone 4 71 - 5 - HG2 GLN 79 - H GLU 25 lone 4 71 - 5 - Peak 525 from nnoeabs.peaks (8.13, 8.13, 119.29 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ARG 26 + H ARG 26 OK 100 100 - 100 H ASN 74 - H ASN 74 OK 40 40 - 100 Peak 526 from nnoeabs.peaks (4.07, 8.13, 119.29 ppm; 3.30 A): 2 out of 12 assignments used, quality = 1.00: * HA ARG 26 + H ARG 26 OK 100 100 - 100 - 3.0=100 HA GLU 25 + H ARG 26 OK 74 83 - 89 - 3.6=80, 2.9/904=15...(11) HA ARG 71 - H ARG 26 OK 29 99 - 29 - 3.8/530=3, 1358=3...(12) HA ALA 63 - H ARG 26 OK 11 99 - 11 - 5369/3.9=1, 5369/3.9=1 HA ARG 71 - H ASN 74 poor 8 56 - 15 - 5836/4.0=3, 5836/4.0=3...(4) HA ARG 26 - H ASN 74 poor 7 58 - 11 - 6010/4.0=2, 5836/4.0=2...(4) HA VAL 90 - H ARG 26 lone 4 99 - 4 - HA GLU 25 - H ASN 74 lone 3 42 - 8 - 6010/4.0=1, 5836/4.0=1 HA GLU 59 - H ARG 26 lone 2 73 - 3 - HA ALA 63 - H ASN 74 lone 1 56 - 3 - HA VAL 90 - H ASN 74 lone 1 56 - 2 - HA GLU 59 - H ASN 74 lone 0 36 - 1 - Peak 527 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 3 out of 30 assignments used, quality = 0.92: HB3 ARG 26 + H ARG 26 OK 68 100 - 68 - 3.9=48, 3.0/1390=10...(13) * HB2 ARG 26 + H ARG 26 OK 68 100 - 68 - 3.9=48, 3.0/1390=10...(12) HB3 ARG 27 + H ARG 26 OK 22 68 - 32 - 4.1/5380=10, 3.0/5345=8...(9) HB2 ARG 27 - H ARG 26 OK 21 65 - 32 - 4.1/5380=10, 3.0/5345=8...(9) HB3 ARG 71 - H ARG 26 OK 16 68 - 24 - 2.8/530=4, 3.0/526=3...(6) HB2 ARG 71 - H ARG 26 OK 15 65 - 24 - 2.8/530=4, 3.0/526=3...(6) HB2 ARG 66 - H ARG 26 OK 11 100 - 12 - ~5167=1, 1366=1, ~5165=1 HB3 PRO 14 - H ARG 26 lone 6 99 - 6 - 1.8/58=2 HB2 GLN 91 - H ARG 26 lone 4 89 - 4 - 3.0/5345=1 HB3 PRO 34 - H ARG 26 lone 3 99 - 3 - HB ILE 68 - H ARG 26 lone 2 89 - 3 - HB3 GLU 87 - H ARG 26 lone 2 63 - 4 - HB2 ARG 26 - H ASN 74 lone 2 58 - 3 - HB3 ARG 26 - H ASN 74 lone 2 58 - 3 - HB3 ARG 71 - H ASN 74 lone 1 33 - 3 - HB2 MET 11 - H ARG 26 lone 1 100 - 1 - HB2 ARG 71 - H ASN 74 lone 1 31 - 3 - HB ILE 68 - H ASN 74 lone 1 46 - 2 - 3935/4.5=1 HB3 PRO 34 - H ASN 74 lone 1 57 - 1 - HB2 LYS 39 - H ARG 26 lone 1 71 - 1 - HB3 ARG 27 - H ASN 74 lone 1 33 - 2 - HB2 LYS 39 - H ASN 74 lone 1 34 - 2 - HB2 ARG 27 - H ASN 74 lone 1 31 - 2 - HG12 ILE 40 - H ARG 26 lone 1 71 - 1 - HB2 ARG 66 - H ASN 74 lone 0 57 - 1 - HG12 ILE 40 - H ASN 74 lone 0 34 - 1 - HB3 PRO 14 - H ASN 74 lone 0 56 - 1 - HB2 GLN 91 - H ASN 74 lone 0 46 - 1 - HB3 GLU 87 - H ASN 74 lone 0 30 - 1 - HB2 MET 11 - H ASN 74 lone 0 57 - 0 - Peak 528 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 3 out of 32 assignments used, quality = 0.92: * HB3 ARG 26 + H ARG 26 OK 68 100 - 68 - 3.9=48, 3.0/1390=10...(13) HB2 ARG 26 + H ARG 26 OK 68 100 - 68 - 3.9=48, 3.0/1390=10...(12) HB3 ARG 27 + H ARG 26 OK 21 65 - 32 - 4.1/5380=10, 3.0/5345=8...(9) HB2 ARG 27 - H ARG 26 OK 20 63 - 32 - 4.1/5380=10, 3.0/5345=8...(9) HB3 ARG 71 - H ARG 26 OK 15 65 - 24 - 2.8/530=4, 3.0/526=3...(6) HB2 ARG 71 - H ARG 26 OK 15 63 - 24 - 2.8/530=4, 3.0/526=3...(6) HB2 ARG 66 - H ARG 26 OK 11 100 - 11 - ~5167=1, 1366=1, ~5165=1 HB3 PRO 14 - H ARG 26 lone 6 99 - 6 - 1.8/58=2 HB2 GLN 91 - H ARG 26 lone 4 90 - 4 - 3.0/5345=1 HB3 PRO 34 - H ARG 26 lone 3 99 - 3 - HB2 GLU 19 - H ARG 26 lone 3 60 - 5 - 3.0/58=1, 3.0/58=1 HB ILE 68 - H ARG 26 lone 3 90 - 3 - HB3 GLU 87 - H ARG 26 lone 2 65 - 4 - HB3 ARG 26 - H ASN 74 lone 2 58 - 3 - HB2 ARG 26 - H ASN 74 lone 2 58 - 3 - HB2 MET 11 - H ARG 26 lone 1 100 - 1 - HB3 ARG 71 - H ASN 74 lone 1 31 - 3 - HB2 ARG 71 - H ASN 74 lone 1 30 - 3 - HB ILE 68 - H ASN 74 lone 1 47 - 2 - 3935/4.5=1 HB3 PRO 34 - H ASN 74 lone 1 56 - 1 - HB2 LYS 39 - H ARG 26 lone 1 68 - 1 - HB3 ARG 27 - H ASN 74 lone 1 31 - 2 - HG12 ILE 40 - H ARG 26 lone 1 73 - 1 - HB2 ARG 27 - H ASN 74 lone 1 30 - 2 - HB2 LYS 39 - H ASN 74 lone 1 33 - 2 - HG12 ILE 40 - H ASN 74 lone 0 36 - 1 - HB2 ARG 66 - H ASN 74 lone 0 57 - 1 - HB3 PRO 14 - H ASN 74 lone 0 57 - 1 - HB2 GLN 91 - H ASN 74 lone 0 47 - 1 - HB3 GLU 87 - H ASN 74 lone 0 31 - 1 - HB2 MET 11 - H ASN 74 lone 0 57 - 0 - HB2 GLU 19 - H ASN 74 lone 0 28 - 1 - Peak 529 from nnoeabs.peaks (1.62, 8.13, 119.29 ppm; 3.87 A): 4 out of 32 assignments used, quality = 0.96: * HG2 ARG 26 + H ARG 26 OK 78 100 - 78 - 4.9=49, 1.8/1390=21...(18) HG2 ARG 27 + H ARG 26 OK 44 97 - 45 - 5.0/5380=12, 3.8/5345=11...(12) HG3 ARG 27 + H ARG 26 OK 44 97 - 45 - 5.0/5380=12, 3.8/5345=11...(12) HG2 ARG 71 + H ARG 26 OK 43 100 - 44 - 1.8/530=8, ~2929=5...(19) HG3 ARG 17 - H ARG 26 OK 14 100 - 14 - 2.9/530=1, 1394/4.9=1, 64/4.6=1 HG2 ARG 17 - H ARG 26 OK 14 100 - 14 - 2.9/530=1, 1394/4.9=1, 64/4.6=1 HG3 ARG 70 - H ARG 26 OK 10 98 - 10 - 4.0/5391=1, ~5395=1 HB2 LEU 86 - H ARG 26 lone 10 99 - 10 - 3.1/5516=2, 4.6/5899=1 HD3 LYS 73 - H ASN 74 poor 10 53 - 18 - 6.1/944=5, 3.5/324=4...(6) HD2 LYS 73 - H ASN 74 poor 10 53 - 18 - 6.1/944=5, 3.5/324=4...(6) HD3 LYS 32 - H ARG 26 lone 7 98 - 7 - HD2 LYS 32 - H ARG 26 lone 7 97 - 7 - HG LEU 86 - H ARG 26 lone 6 76 - 8 - 2.1/5516=2 HD3 LYS 73 - H ARG 26 lone 6 97 - 6 - HD2 LYS 73 - H ARG 26 lone 6 97 - 6 - HG3 ARG 84 - H ARG 26 lone 4 63 - 7 - HG2 ARG 84 - H ARG 26 lone 4 63 - 7 - HG2 ARG 71 - H ASN 74 lone 4 58 - 7 - 3.8/6153=1 HD3 LYS 32 - H ASN 74 lone 3 55 - 6 - 3009/3.6=1, 792/4.5=1 HD2 LYS 32 - H ASN 74 lone 3 53 - 6 - 3009/3.6=1, 791/4.5=1 HG2 ARG 26 - H ASN 74 lone 3 58 - 5 - HB3 LEU 51 - H ARG 26 lone 2 78 - 3 - HG3 ARG 70 - H ASN 74 lone 2 55 - 3 - 792/4.5=1 HG2 ARG 27 - H ASN 74 lone 2 54 - 3 - HG3 ARG 27 - H ASN 74 lone 2 53 - 3 - HB2 LEU 86 - H ASN 74 lone 2 56 - 3 - HG3 ARG 84 - H ASN 74 lone 2 30 - 5 - HG2 ARG 84 - H ASN 74 lone 2 30 - 5 - HG3 ARG 17 - H ASN 74 lone 1 58 - 3 - HG2 ARG 17 - H ASN 74 lone 1 58 - 3 - HB3 LEU 51 - H ASN 74 lone 1 39 - 2 - HG LEU 86 - H ASN 74 lone 1 37 - 3 - Peak 530 from nnoeabs.peaks (1.75, 8.13, 119.29 ppm; 3.52 A): 4 out of 30 assignments used, quality = 0.86: * HG3 ARG 26 + H ARG 26 OK 67 100 - 67 - 4.9=37, 3.0/527=8...(13) HG3 ARG 71 + H ARG 26 OK 40 100 - 40 - 2929/3.0=6, 2928=5...(17) HB2 LEU 62 + H ARG 26 OK 18 100 - 18 - 3.1/5962=4, 3.1/5516=3...(6) HB3 LYS 73 + H ASN 74 OK 18 28 - 64 - 4.3=55, 4.0/944=8...(5) HB2 LEU 57 - H ASN 74 poor 9 44 - 22 - 2435=5, 3.0/2449=4...(7) HB3 ARG 17 - H ARG 26 lone 9 100 - 9 - 65/4.6=1 HG2 PRO 34 - H ARG 26 lone 7 97 - 7 - 1723/3.9=2, 1723/3.9=2 HB2 LEU 57 - H ARG 26 lone 7 87 - 8 - 2435=1, 1.8/2442=1 HB2 ARG 84 - H ARG 26 lone 4 78 - 5 - HG3 ARG 71 - H ASN 74 lone 3 58 - 5 - 2928/4.6=1 HB2 LEU 62 - H ASN 74 lone 3 58 - 5 - 3.1/5962=2, 3907/4.5=1 HB3 LYS 85 - H ASN 74 lone 3 33 - 9 - 6062/3.6=2, 6055/3.0=2 HB3 LYS 32 - H ARG 26 lone 3 71 - 4 - HB2 LYS 32 - H ARG 26 lone 3 71 - 4 - HB3 LYS 73 - H ARG 26 lone 2 60 - 4 - HG2 PRO 34 - H ASN 74 lone 2 53 - 4 - 4859/4.0=1 HG3 ARG 26 - H ASN 74 lone 2 58 - 4 - HB2 ARG 84 - H ASN 74 lone 2 39 - 6 - 3376/3.6=1, 3378/4.3=1 HB2 LEU 43 - H ARG 26 lone 2 73 - 3 - HB ILE 33 - H ARG 26 lone 2 83 - 2 - HB2 ARG 54 - H ARG 26 lone 1 89 - 2 - HB3 LYS 85 - H ARG 26 lone 1 68 - 2 - HB3 ARG 82 - H ARG 26 lone 1 89 - 1 - HB3 LYS 32 - H ASN 74 lone 1 34 - 4 - 3242/3.6=1 HB2 LYS 32 - H ASN 74 lone 1 34 - 4 - 3242/3.6=1 HB ILE 33 - H ASN 74 lone 1 42 - 3 - HB3 ARG 82 - H ASN 74 lone 1 46 - 2 - HB3 ARG 17 - H ASN 74 lone 1 57 - 2 - HB2 ARG 54 - H ASN 74 lone 1 46 - 2 - HB2 LEU 43 - H ASN 74 lone 0 36 - 1 - Peak 532 from nnoeabs.peaks (3.17, 8.13, 119.29 ppm; 4.77 A): 2 out of 30 assignments used, quality = 0.96: HD2 ARG 26 + H ARG 26 OK 81 100 - 81 - 6.1=48, 3.0/1390=24...(19) * HD3 ARG 26 + H ARG 26 OK 81 100 - 81 - 6.1=48, 3.0/1390=24...(19) HD3 ARG 27 - H ARG 26 OK 44 99 - 44 - 6.3/5380=12, 5.4/5345=11...(9) HD2 ARG 27 - H ARG 26 OK 44 99 - 44 - 6.3/5380=12, 5.4/5345=11...(9) HD3 ARG 71 - H ARG 26 OK 29 71 - 42 - 3.0/530=8, ~2929=5...(17) HD3 ARG 66 - H ARG 26 OK 27 96 - 29 - ~5167=3, ~5165=3...(10) HD2 ARG 66 - H ARG 26 OK 27 93 - 29 - ~5167=3, ~5165=3...(11) HD3 ARG 17 - H ARG 26 OK 14 92 - 15 - 3.6/530=2, 3.0/529=2...(5) HD2 ARG 17 - H ARG 26 OK 14 92 - 15 - 3.6/530=2, 3.0/529=2...(5) HD2 ARG 23 - H ARG 26 OK 10 97 - 10 - 5.2/5341=3, 5382/4.6=2 HD3 ARG 23 - H ARG 26 OK 10 97 - 10 - 5.2/5341=3, 5382/4.6=2 HD3 ARG 70 - H ARG 26 poor 7 60 - 12 - 5.3/5391=1, 3.0/529=1, ~5395=1 HD3 ARG 84 - H ARG 26 lone 6 68 - 9 - HD2 ARG 84 - H ARG 26 lone 5 63 - 8 - HD3 ARG 26 - H ASN 74 lone 3 58 - 5 - 3.0/1390=1 HD2 ARG 26 - H ASN 74 lone 3 58 - 5 - 3.0/1390=1 HD2 ARG 27 - H ASN 74 lone 2 57 - 3 - HD3 ARG 27 - H ASN 74 lone 2 57 - 3 - HD3 ARG 71 - H ASN 74 lone 2 34 - 5 - 4.7/6153=1 HD3 ARG 84 - H ASN 74 lone 2 33 - 5 - HD2 ARG 82 - H ARG 26 lone 1 65 - 2 - HD2 ARG 84 - H ASN 74 lone 1 30 - 5 - HD2 ARG 23 - H ASN 74 lone 1 54 - 2 - HD3 ARG 23 - H ASN 74 lone 1 54 - 2 - HD2 ARG 17 - H ASN 74 lone 1 48 - 3 - HD3 ARG 17 - H ASN 74 lone 1 48 - 3 - HD3 ARG 66 - H ASN 74 lone 1 52 - 2 - HD2 ARG 66 - H ASN 74 lone 1 50 - 2 - HD2 ARG 82 - H ASN 74 lone 1 31 - 2 - HD3 ARG 70 - H ASN 74 lone 1 28 - 2 - Peak 533 from nnoeabs.peaks (8.18, 8.18, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 27 + H ARG 27 OK 100 100 - 100 Peak 534 from nnoeabs.peaks (4.12, 8.18, 120.59 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 27 + H ARG 27 OK 100 100 - 100 - 3.0=100 HA ALA 30 - H ARG 27 OK 24 83 - 29 - ~5388=7, 2.1/5539=6...(8) HA ARG 23 - H ARG 27 OK 21 97 - 22 - 1414=3, 3.6/903=2...(7) HA GLU 25 - H ARG 27 OK 21 65 - 32 - 3.6/5380=14, 1414=4...(8) HB THR 88 - H ARG 27 OK 16 100 - 16 - 3.0/4035=4, 2.1/4037=3...(6) HA GLN 91 - H ARG 27 lone 4 87 - 5 - HA ASN 49 - H ARG 27 lone 2 76 - 2 - Peak 535 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 4 out of 14 assignments used, quality = 0.94: * HB2 ARG 27 + H ARG 27 OK 62 100 - 62 - 4.1=41, 2.9/538=4...(17) HB3 ARG 27 + H ARG 27 OK 62 100 - 62 - 4.1=41, 2.9/538=4...(17) HB2 ARG 26 + H ARG 27 OK 34 65 - 52 - 4.6=28, 3.9/5380=10...(10) HB3 ARG 26 + H ARG 27 OK 32 63 - 52 - 4.6=28, 3.9/5380=10...(10) HB2 ARG 71 - H ARG 27 OK 20 100 - 20 - 3.0/61=3, 2.8/65=3...(6) HB3 ARG 71 - H ARG 27 OK 20 100 - 20 - 3.0/61=3, 2.8/65=3...(6) HB3 ARG 23 - H ARG 27 OK 18 100 - 18 - 3.0/534=2, ~1285=2...(6) HB2 ARG 23 - H ARG 27 OK 17 99 - 18 - 3.0/534=2, ~1285=2...(6) HB ILE 89 - H ARG 27 poor 9 60 - 15 - 2.1/5521=4, 2.9/5519=3...(6) HB2 ARG 17 - H ARG 27 lone 9 95 - 9 - 1.8/65=2, 2.9/537=1...(4) HB2 ARG 66 - H ARG 27 lone 3 76 - 4 - HB3 PRO 34 - H ARG 27 lone 2 81 - 2 - HB2 LYS 39 - H ARG 27 lone 2 100 - 2 - HB2 LYS 75 - H ARG 27 lone 1 97 - 1 - Peak 536 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 4 out of 13 assignments used, quality = 0.94: HB2 ARG 27 + H ARG 27 OK 62 100 - 62 - 4.1=41, 2.9/538=4...(17) * HB3 ARG 27 + H ARG 27 OK 62 100 - 62 - 4.1=41, 2.9/538=4...(17) HB2 ARG 26 + H ARG 27 OK 35 68 - 52 - 4.6=28, 3.9/5380=10...(10) HB3 ARG 26 + H ARG 27 OK 34 65 - 52 - 4.6=28, 3.9/5380=10...(10) HB2 ARG 71 - H ARG 27 OK 20 100 - 20 - 3.0/61=3, 2.8/65=3...(6) HB3 ARG 71 - H ARG 27 OK 20 100 - 20 - 3.0/61=3, 2.8/65=3...(6) HB3 ARG 23 - H ARG 27 OK 17 99 - 18 - 3.0/534=2, ~1285=2...(6) HB2 ARG 23 - H ARG 27 OK 17 99 - 18 - 3.0/534=2, ~1285=2...(6) HB2 ARG 17 - H ARG 27 lone 9 93 - 9 - 1.8/65=2, 2.9/537=1...(4) HB2 ARG 66 - H ARG 27 lone 3 78 - 4 - HB3 PRO 34 - H ARG 27 lone 2 83 - 3 - HB2 LYS 39 - H ARG 27 lone 2 100 - 2 - HB2 LYS 75 - H ARG 27 lone 1 97 - 1 - Peak 537 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 3.87 A): 3 out of 13 assignments used, quality = 0.98: * HG2 ARG 27 + H ARG 27 OK 79 100 - 79 - 5.0=47, 2.9/536=8...(26) HG3 ARG 27 + H ARG 27 OK 79 100 - 79 - 5.0=47, 2.9/536=8...(26) HG2 ARG 26 + H ARG 27 OK 50 97 - 52 - 4.9/5380=12, 3.0/63=9...(13) HG2 ARG 71 - H ARG 27 OK 31 96 - 32 - 1.8/65=6, 3.8/61=4...(9) HG3 ARG 17 - H ARG 27 OK 21 96 - 22 - 2.9/65=3, 1438=2...(8) HG2 ARG 17 - H ARG 27 OK 21 95 - 22 - 2.9/65=3, 1438=2...(8) HD3 LYS 32 - H ARG 27 poor 9 85 - 10 - 3.0/5520=3, 72/4.6=1 HD2 LYS 32 - H ARG 27 poor 8 81 - 10 - 3.0/5520=3, 72/4.6=1 HG3 ARG 70 - H ARG 27 lone 6 85 - 7 - 5.0/5380=3 HB2 LEU 86 - H ARG 27 lone 5 89 - 6 - 3.1/5521=2 HD3 LYS 73 - H ARG 27 lone 3 81 - 4 - HD2 LYS 73 - H ARG 27 lone 3 81 - 4 - HB3 GLN 61 - H ARG 27 lone 2 63 - 3 - Peak 538 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 3.87 A): 3 out of 13 assignments used, quality = 0.98: HG2 ARG 27 + H ARG 27 OK 79 100 - 79 - 5.0=47, 2.9/536=8...(26) * HG3 ARG 27 + H ARG 27 OK 79 100 - 79 - 5.0=47, 2.9/536=8...(26) HG2 ARG 26 + H ARG 27 OK 50 97 - 52 - 4.9/5380=12, 3.0/63=9...(13) HG2 ARG 71 - H ARG 27 OK 30 95 - 32 - 1.8/65=6, 3.8/61=4...(9) HG3 ARG 17 - H ARG 27 OK 21 95 - 22 - 2.9/65=3, 1438=2...(8) HG2 ARG 17 - H ARG 27 OK 21 93 - 22 - 2.9/65=3, 1438=2...(8) HD3 LYS 32 - H ARG 27 poor 8 83 - 10 - 3.0/5520=3, 72/4.6=1 HD2 LYS 32 - H ARG 27 poor 8 78 - 10 - 3.0/5520=3, 72/4.6=1 HG3 ARG 70 - H ARG 27 lone 6 83 - 7 - 5.0/5380=3 HB2 LEU 86 - H ARG 27 lone 5 87 - 6 - 3.1/5521=2 HD3 LYS 73 - H ARG 27 lone 3 78 - 4 - HD2 LYS 73 - H ARG 27 lone 3 78 - 4 - HB3 GLN 61 - H ARG 27 lone 2 65 - 3 - Peak 541 from nnoeabs.peaks (8.21, 8.21, 122.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 28 + H ALA 28 OK 100 100 - 100 H ARG 84 + H ARG 84 OK 76 76 - 100 Peak 542 from nnoeabs.peaks (3.96, 8.21, 122.47 ppm; 3.54 A): 1 out of 24 assignments used, quality = 1.00: * HA ALA 28 + H ALA 28 OK 100 100 - 100 - 3.0=100 HA LYS 32 - H ALA 28 OK 26 85 - 31 - 1559/2.9=5, 3.0/907=5...(13) HA VAL 76 - H ALA 28 OK 24 97 - 24 - 3984=6, 3.0/5411=4...(8) HA THR 37 - H ALA 28 OK 16 78 - 21 - ~6128=6, ~5532=4...(7) HA GLN 61 - H ALA 28 OK 15 99 - 15 - 1474/2.9=2, ~5533=2...(7) HA GLU 50 - H ALA 28 OK 11 99 - 11 - 1474/2.9=2, ~4838=1, ~4182=1 HA ALA 28 - H ARG 84 poor 10 86 - 11 - 3.6/76=4, 2.1/1473=2, 1470=2 HA ARG 66 - H ALA 28 poor 9 85 - 10 - 1474/2.9=1 HA VAL 76 - H ARG 84 poor 8 81 - 10 - 3984=2, 3.0/907=1 HA2 GLY 21 - H ALA 28 lone 7 99 - 7 - HA3 GLY 21 - H ALA 28 lone 7 99 - 7 - HA2 GLY 72 - H ALA 28 lone 6 100 - 6 - HA2 GLY 72 - H ARG 84 lone 4 85 - 4 - 6034/4.6=2 HA LYS 32 - H ARG 84 lone 4 67 - 5 - HA2 GLY 21 - H ARG 84 lone 2 84 - 3 - HA3 GLY 21 - H ARG 84 lone 2 83 - 3 - HA ARG 66 - H ARG 84 lone 2 67 - 2 - HA GLN 61 - H ARG 84 lone 1 83 - 2 - HA3 GLY 18 - H ALA 28 lone 1 60 - 2 - HA GLU 50 - H ARG 84 lone 1 84 - 2 - HA THR 37 - H ARG 84 lone 1 61 - 2 - HA2 GLY 18 - H ALA 28 lone 1 57 - 2 - HA3 GLY 18 - H ARG 84 lone 1 45 - 1 - HA2 GLY 18 - H ARG 84 lone 1 43 - 1 - Peak 543 from nnoeabs.peaks (1.34, 8.21, 122.47 ppm; 2.93 A): 1 out of 14 assignments used, quality = 1.00: * QB ALA 28 + H ALA 28 OK 100 100 - 100 - 2.9=100 HG3 LYS 32 - H ALA 28 OK 20 97 - 20 - 1472/3.0=3, 1594/4.6=2...(9) HB2 LEU 52 - H ALA 28 OK 16 100 - 16 - 1472/3.0=3, ~5532=2...(7) QB ALA 28 - H ARG 84 lone 8 86 - 9 - 3.6/76=3, 1473=2, 2.1/1470=1 HB2 LEU 51 - H ALA 28 lone 5 89 - 6 - 1472/3.0=1, 78/4.6=1 QB ALA 12 - H ALA 28 lone 4 99 - 4 - HG3 LYS 32 - H ARG 84 lone 3 81 - 4 - QB ALA 16 - H ALA 28 lone 2 81 - 3 - QG2 THR 58 - H ALA 28 lone 1 68 - 2 - HB2 LEU 52 - H ARG 84 lone 1 86 - 1 - QB ALA 16 - H ARG 84 lone 1 63 - 2 - HB2 LEU 51 - H ARG 84 lone 1 71 - 1 - QB ALA 12 - H ARG 84 lone 1 84 - 1 - QG2 THR 58 - H ARG 84 lone 0 52 - 0 - Peak 544 from nnoeabs.peaks (7.95, 7.95, 119.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 545 from nnoeabs.peaks (4.16, 7.95, 119.22 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 - 100 - 3.0=100 HA ALA 30 - H LEU 29 OK 30 71 - 43 - 3.0/908=15, 3.6/5525=7...(13) HA ILE 89 - H LEU 29 OK 19 98 - 19 - 3.2/550=3, 3600/4.8=2...(10) HA LYS 73 - H LEU 29 OK 18 92 - 20 - 3.0/908=3, 1476=3...(6) HA ARG 84 - H LEU 29 OK 15 73 - 20 - 3.0/76=4, 3.0/546=3...(6) HA ARG 82 - H LEU 29 lone 7 90 - 8 - 3.0/548=1, 1484/4.0=1 HA ASN 49 - H LEU 29 lone 6 78 - 8 - 3.6/5525=2, 4484/3.6=1 HB THR 15 - H LEU 29 lone 5 99 - 5 - HA ALA 53 - H LEU 29 lone 4 100 - 4 - HA GLN 91 - H LEU 29 lone 1 65 - 1 - Peak 546 from nnoeabs.peaks (1.72, 7.95, 119.22 ppm; 2.89 A): 4 out of 10 assignments used, quality = 0.76: * HB2 LEU 29 + H LEU 29 OK 62 100 - 62 - 4.0=38, 1.8/547=9...(11) HB3 LEU 64 + H LEU 29 OK 18 85 - 22 - 3.1/550=3, 3.1/5012=2...(10) HB2 ARG 84 + H LEU 29 OK 12 97 - 13 - 4.0/76=2, 3.0/545=1...(4) HB2 LEU 43 + H LEU 29 OK 12 99 - 12 - 3.1/550=2, 1.8/5534=1...(6) HG2 ARG 70 - H LEU 29 lone 10 99 - 10 - 2864=2, 5.0/303=1, 4.0/2840=1 HG3 ARG 66 - H LEU 29 lone 6 81 - 8 - HB3 LYS 85 - H LEU 29 lone 6 99 - 6 - HB3 LYS 83 - H LEU 29 lone 5 100 - 5 - 4.3/76=2 HB2 ARG 82 - H LEU 29 lone 4 78 - 5 - 3235/3.0=1 HB3 ARG 17 - H LEU 29 lone 1 65 - 2 - Peak 547 from nnoeabs.peaks (1.58, 7.95, 119.22 ppm; 3.29 A): 5 out of 11 assignments used, quality = 0.94: * HB3 LEU 29 + H LEU 29 OK 79 100 - 79 - 4.0=56, 1.8/546=18...(12) HB3 LEU 62 + H LEU 29 OK 32 99 - 33 - 1490=5, 3.1/549=4...(14) HG LEU 62 + H LEU 29 OK 27 93 - 29 - 2.1/549=5, 3.0/1490=3...(12) HB3 LEU 86 + H LEU 29 OK 26 89 - 30 - 3.1/549=4, 3.1/550=4...(16) HG LEU 86 + H LEU 29 OK 26 87 - 30 - 2.1/549=5, 2.1/550=4...(14) HG3 ARG 84 - H LEU 29 OK 15 95 - 16 - 3.0/546=3, 5.0/76=2...(4) HG2 ARG 84 - H LEU 29 OK 15 95 - 16 - 3.0/546=3, 5.0/76=2...(4) HB3 LEU 51 - H LEU 29 OK 13 85 - 15 - 1.8/78=3, 3.0/549=2...(4) HD3 LYS 39 - H LEU 29 lone 5 100 - 5 - HD2 LYS 39 - H LEU 29 lone 5 100 - 5 - HG3 ARG 54 - H LEU 29 lone 5 100 - 5 - Peak 548 from nnoeabs.peaks (1.67, 7.95, 119.22 ppm; 3.00 A): 2 out of 11 assignments used, quality = 0.64: * HG LEU 29 + H LEU 29 OK 57 100 - 57 - 4.9=23, 1499/4.0=10...(11) HB3 LEU 64 + H LEU 29 OK 17 76 - 23 - 3.1/550=4, 3.1/5012=2...(12) HB3 GLN 61 - H LEU 29 lone 9 92 - 9 - 3.0/77=2, 2541/3.6=1, 83/4.6=1 HG3 ARG 66 - H LEU 29 lone 7 81 - 8 - HB3 LYS 13 - H LEU 29 lone 6 99 - 6 - HD3 LYS 13 - H LEU 29 lone 6 98 - 6 - HD2 LYS 13 - H LEU 29 lone 6 98 - 6 - HD2 LYS 75 - H LEU 29 lone 5 97 - 5 - HD3 LYS 75 - H LEU 29 lone 5 97 - 5 - HB2 ARG 82 - H LEU 29 lone 5 83 - 6 - 3235/3.0=1 HG2 ARG 23 - H LEU 29 lone 3 100 - 3 - Peak 549 from nnoeabs.peaks (0.88, 7.95, 119.22 ppm; 3.91 A): 3 out of 6 assignments used, quality = 0.95: * QD1 LEU 29 + H LEU 29 OK 83 100 - 83 - 4.8=55, 2.1/548=20...(10) QD1 LEU 86 + H LEU 29 OK 43 99 - 44 - 1488/4.0=6, 1481/3.0=6...(14) QD1 LEU 62 + H LEU 29 OK 43 99 - 43 - 1488/4.0=5, 1504=5...(16) HG LEU 51 - H LEU 29 OK 19 96 - 19 - 3.0/78=3, 1488/4.0=2...(9) QG2 VAL 90 - H LEU 29 OK 12 85 - 14 - 3.2/4184=4, 1481/3.0=1 QG1 VAL 90 - H LEU 29 OK 12 83 - 14 - 3.2/4184=4, 1481/3.0=1 Peak 550 from nnoeabs.peaks (0.84, 7.95, 119.22 ppm; 3.93 A): 3 out of 5 assignments used, quality = 0.97: * QD2 LEU 29 + H LEU 29 OK 86 100 - 86 - 4.8=56, 2.1/548=20...(13) QD2 LEU 64 + H LEU 29 OK 57 100 - 57 - 5162/3.6=11, 4173/3.6=8...(18) QD2 LEU 86 + H LEU 29 OK 45 96 - 47 - 1489/4.0=6, 1511=5...(17) QG2 ILE 89 - H LEU 29 OK 37 100 - 37 - 3612/3.0=5, 4177/3.6=3...(14) QD1 LEU 43 - H LEU 29 OK 29 92 - 32 - 1489/4.0=4, 3.1/546=3...(10) Peak 551 from nnoeabs.peaks (7.98, 7.98, 123.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + H ALA 30 OK 100 100 - 100 Peak 552 from nnoeabs.peaks (4.13, 7.98, 123.05 ppm; 3.13 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 30 + H ALA 30 OK 100 100 - 100 - 3.0=100 HA LEU 29 + H ALA 30 OK 59 71 - 84 - 3.6=67, 3.0/908=14...(14) HA ARG 27 - H ALA 30 OK 26 83 - 31 - 4807/2.9=7, 5386=6...(9) HA ASN 49 - H ALA 30 lone 10 100 - 10 - 4483/2.9=2, 3848/4.5=2 HA ARG 23 - H ALA 30 lone 7 98 - 7 - 4807/2.9=1 HA GLN 91 - H ALA 30 lone 3 100 - 2 - HB THR 88 - H ALA 30 lone 2 90 - 2 - HA ALA 53 - H ALA 30 lone 2 63 - 3 - Peak 553 from nnoeabs.peaks (1.45, 7.98, 123.05 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.99: * QB ALA 30 + H ALA 30 OK 99 100 - 99 - 2.9=99 HB3 LEU 43 - H ALA 30 OK 15 99 - 15 - 1.8/81=3, 1520/3.0=2...(6) HG13 ILE 89 - H ALA 30 OK 12 99 - 12 - 3.2/85=2, 1520/3.0=1...(4) HG3 LYS 13 - H ALA 30 OK 10 97 - 11 - 1520/3.0=1, 3.0/83=1...(4) HG2 LYS 13 - H ALA 30 lone 8 78 - 10 - 3.0/83=1, 2.9/83=1...(4) HG12 ILE 33 - H ALA 30 lone 8 100 - 8 - 88/4.5=2, 1520/3.0=1 HB3 LEU 52 - H ALA 30 poor 7 63 - 11 - 1.8/5535=2, 1520/3.0=1 HG3 LYS 85 - H ALA 30 lone 5 99 - 5 - HB3 LEU 57 - H ALA 30 lone 5 76 - 6 - 88/4.5=1 Peak 554 from nnoeabs.peaks (7.71, 7.71, 115.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 31 + H MET 31 OK 100 100 - 100 Peak 555 from nnoeabs.peaks (4.42, 7.71, 115.23 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 31 + H MET 31 OK 100 100 - 100 - 3.0=100 HA THR 58 - H MET 31 OK 39 96 - 41 - 1531/4.0=6, 1549/4.7=6...(13) HA SER 22 - H MET 31 lone 4 65 - 6 - ~6117=1 Peak 556 from nnoeabs.peaks (1.94, 7.71, 115.23 ppm; 3.36 A): 4 out of 9 assignments used, quality = 0.91: * HB2 MET 31 + H MET 31 OK 82 100 - 82 - 4.0=58, 1.8/557=13...(11) HB VAL 41 + H MET 31 OK 27 99 - 27 - 3821=7, 2.1/3823=4...(9) HG LEU 57 + H MET 31 OK 21 85 - 25 - 1526/3.0=4, 1538/4.0=3...(9) HB3 ARG 66 + H MET 31 OK 13 99 - 13 - 1526/3.0=2, 91/4.6=2...(7) HG13 ILE 68 - H MET 31 lone 8 96 - 9 - HB3 ARG 70 - H MET 31 lone 6 85 - 7 - 4.1/910=1, 91/4.6=1, 1526/3.0=1 HB2 ARG 70 - H MET 31 lone 6 85 - 7 - 4.1/910=1, 91/4.6=1, 1526/3.0=1 HB2 GLU 19 - H MET 31 lone 1 68 - 1 - HB3 GLU 87 - H MET 31 lone 1 63 - 2 - Peak 557 from nnoeabs.peaks (2.07, 7.71, 115.23 ppm; 3.82 A): 1 out of 16 assignments used, quality = 0.95: * HB3 MET 31 + H MET 31 OK 95 100 - 95 - 4.0=86, 1.8/556=21...(11) HB3 GLU 50 - H MET 31 OK 13 57 - 23 - 3.0/4193=3, 3.0/2197=3...(11) HB2 GLU 50 - H MET 31 OK 13 57 - 23 - 3.0/4193=3, 3.0/2197=3...(11) HB3 PRO 44 - H MET 31 OK 12 83 - 15 - 1527/3.0=2, 1533/4.0=2...(5) HG2 PRO 44 - H MET 31 poor 10 76 - 13 - 1527/3.0=2, 1533/4.0=2...(5) HB VAL 76 - H MET 31 poor 10 68 - 14 - 3.0/4193=2, 4.0/910=2...(7) HB2 GLU 59 - H MET 31 poor 9 81 - 12 - 4.0/4644=3, ~4991=2...(4) HB3 GLU 59 - H MET 31 poor 9 81 - 12 - 4.0/4644=3, ~4991=2...(4) HB3 GLU 25 - H MET 31 lone 9 90 - 10 - 3.0/5518=2, 1527/3.0=1 HB2 GLU 25 - H MET 31 lone 9 89 - 10 - 3.0/5518=2, 1527/3.0=1 HB VAL 45 - H MET 31 lone 5 100 - 5 - HB2 PRO 56 - H MET 31 lone 4 87 - 5 - HG3 PRO 56 - H MET 31 lone 4 83 - 5 - HG2 PRO 36 - H MET 31 lone 3 76 - 4 - HG3 PRO 36 - H MET 31 lone 3 71 - 4 - HB3 GLN 91 - H MET 31 lone 1 57 - 2 - Peak 558 from nnoeabs.peaks (2.63, 7.71, 115.23 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.97: * HG2 MET 31 + H MET 31 OK 95 100 - 95 - 4.7=66, 1.8/559=23...(18) HG2 GLN 61 + H MET 31 OK 41 73 - 56 - 3.0/559=12, 1528/3.0=7...(13) HB3 ASP 38 - H MET 31 OK 19 100 - 19 - 1528/3.0=4, 1534/4.0=3...(7) HB2 ASP 38 - H MET 31 OK 19 100 - 19 - 1528/3.0=4, 1534/4.0=3...(7) Peak 559 from nnoeabs.peaks (2.52, 7.71, 115.23 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.97: * HG3 MET 31 + H MET 31 OK 92 100 - 92 - 4.7=60, 1.8/558=20...(14) HB2 GLN 61 + H MET 31 OK 62 100 - 62 - 1529/3.0=13, 1535/4.0=10...(15) HB3 ASP 46 - H MET 31 lone 7 76 - 8 - 4.6/6130=2, 1529/3.0=1 Peak 560 from nnoeabs.peaks (7.94, 7.94, 118.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 32 + H LYS 32 OK 100 100 - 100 Peak 561 from nnoeabs.peaks (3.98, 7.94, 118.73 ppm; 3.10 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 32 + H LYS 32 OK 100 100 - 100 - 3.0=100 HA ALA 28 - H LYS 32 OK 31 85 - 36 - 2.1/3762=7, 5530/4.9=5...(15) HA ARG 66 - H LYS 32 OK 19 100 - 19 - 3924=3, 3.0/937=2...(5) HA GLN 61 - H LYS 32 OK 18 96 - 19 - 3.0/89=3, 2526/4.9=3...(7) HA VAL 76 - H LYS 32 OK 13 98 - 13 - 3156=2 HA ARG 70 - H LYS 32 OK 11 71 - 16 - 2840=2, 3.6/303=2...(5) HA GLU 50 - H LYS 32 OK 11 95 - 12 - 3.0/89=2, 2179/4.6=1, 2526/4.9=1 HA2 GLY 72 - H LYS 32 lone 5 93 - 6 - HA2 GLY 21 - H LYS 32 lone 3 71 - 4 - HA3 GLY 21 - H LYS 32 lone 3 68 - 4 - Peak 562 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.55 A): 2 out of 20 assignments used, quality = 0.98: * HB2 LYS 32 + H LYS 32 OK 86 100 - 86 - 4.0=71, 2.9/564=18...(11) HB3 LYS 32 + H LYS 32 OK 86 100 - 86 - 4.0=71, 2.9/564=18...(11) HB ILE 33 - H LYS 32 OK 31 100 - 31 - 1651/4.6=15, 3.0/5541=4...(8) HB2 LEU 57 - H LYS 32 OK 20 99 - 20 - 4600/4.9=5, 2439/4.7=3...(6) HB2 ARG 54 - H LYS 32 OK 16 99 - 16 - 3.0/564=4, 4.6/89=2...(7) HB3 LYS 73 - H LYS 32 OK 14 100 - 14 - 3.0/4205=3, ~5061=2...(5) HB2 ARG 69 - H LYS 32 OK 11 60 - 19 - 1.8/3942=3, 3.0/3943=2...(8) HG2 PRO 34 - H LYS 32 poor 10 93 - 11 - 572/4.6=2, 1556/3.0=1 HB2 PRO 34 - H LYS 32 lone 9 99 - 9 - 3777/4.6=2, 1556/3.0=1 HG3 ARG 71 - H LYS 32 lone 6 78 - 8 - 5.0/303=1 HB3 LYS 75 - H LYS 32 lone 6 93 - 6 - HB3 LYS 39 - H LYS 32 lone 5 98 - 5 - HB2 LYS 13 - H LYS 32 lone 5 90 - 5 - 3.0/5541=1 HB2 LEU 62 - H LYS 32 lone 4 65 - 6 - 5777/4.6=1 HG3 ARG 26 - H LYS 32 lone 3 71 - 4 - HB3 ARG 82 - H LYS 32 lone 3 99 - 3 - HB3 ARG 84 - H LYS 32 lone 2 60 - 4 - HB2 LYS 83 - H LYS 32 lone 2 99 - 2 - HB2 LYS 85 - H LYS 32 lone 2 60 - 3 - HB3 ARG 17 - H LYS 32 lone 1 57 - 3 - Peak 563 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.55 A): 2 out of 20 assignments used, quality = 0.98: HB2 LYS 32 + H LYS 32 OK 86 100 - 86 - 4.0=71, 2.9/564=18...(11) * HB3 LYS 32 + H LYS 32 OK 86 100 - 86 - 4.0=71, 2.9/564=18...(11) HB ILE 33 - H LYS 32 OK 31 100 - 31 - 1651/4.6=15, 3.0/5541=4...(8) HB2 LEU 57 - H LYS 32 OK 20 99 - 20 - 4600/4.9=5, 2439/4.7=3...(6) HB2 ARG 54 - H LYS 32 OK 16 99 - 16 - 3.0/564=4, 4.6/89=2...(7) HB3 LYS 73 - H LYS 32 OK 14 100 - 14 - 3.0/4205=3, ~5061=2...(5) HB2 ARG 69 - H LYS 32 OK 11 60 - 19 - 1.8/3942=3, 3.0/3943=2...(8) HG2 PRO 34 - H LYS 32 poor 10 93 - 11 - 572/4.6=2, 1556/3.0=1 HB2 PRO 34 - H LYS 32 lone 9 99 - 9 - 3777/4.6=2, 1556/3.0=1 HG3 ARG 71 - H LYS 32 lone 6 78 - 8 - 5.0/303=1 HB3 LYS 75 - H LYS 32 lone 6 93 - 6 - HB3 LYS 39 - H LYS 32 lone 5 98 - 5 - HB2 LYS 13 - H LYS 32 lone 5 90 - 5 - 3.0/5541=1 HB2 LEU 62 - H LYS 32 lone 4 65 - 6 - 5777/4.6=1 HG3 ARG 26 - H LYS 32 lone 3 71 - 4 - HB3 ARG 82 - H LYS 32 lone 3 99 - 3 - HB3 ARG 84 - H LYS 32 lone 2 60 - 4 - HB2 LYS 83 - H LYS 32 lone 2 99 - 2 - HB2 LYS 85 - H LYS 32 lone 2 60 - 3 - HB3 ARG 17 - H LYS 32 lone 1 57 - 3 - Peak 564 from nnoeabs.peaks (1.28, 7.94, 118.73 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.91: * HG2 LYS 32 + H LYS 32 OK 87 100 - 87 - 4.9=52, 1558/3.0=25...(16) HG2 ARG 54 + H LYS 32 OK 19 76 - 25 - 1558/3.0=6, 99/4.6=4...(8) QG2 THR 58 + H LYS 32 OK 13 60 - 23 - 3.2/90=7, 2479/3.6=4...(6) Peak 565 from nnoeabs.peaks (1.33, 7.94, 118.73 ppm; 3.68 A): 3 out of 7 assignments used, quality = 0.93: * HG3 LYS 32 + H LYS 32 OK 79 100 - 79 - 4.9=43, 1.8/564=24...(16) QB ALA 28 + H LYS 32 OK 54 97 - 56 - 5303/4.6=15, 3762=12...(13) QG2 THR 58 + H LYS 32 OK 24 90 - 27 - 3.2/90=6, 2479/3.6=5...(7) HB2 LEU 51 - H LYS 32 OK 18 99 - 18 - 1559/3.0=3, 100/4.6=3...(7) HB2 LEU 52 - H LYS 32 OK 18 99 - 18 - 1559/3.0=2, 100/4.6=2...(6) HG2 ARG 54 - H LYS 32 OK 13 78 - 16 - 1559/3.0=2, 4.8/89=2...(8) QB ALA 12 - H LYS 32 lone 2 100 - 2 - Peak 570 from nnoeabs.peaks (7.91, 7.91, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + H ILE 33 OK 100 100 - 100 Peak 571 from nnoeabs.peaks (3.89, 7.91, 120.59 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 33 + H ILE 33 OK 100 100 - 100 - 3.0=100 HD2 PRO 36 - H ILE 33 OK 43 89 - 48 - 1.8/5555=8, 1659/4.1=6...(15) HA LEU 51 - H ILE 33 OK 35 100 - 35 - 1652/3.9=5, 1659/4.1=5...(13) HB3 SER 22 - H ILE 33 OK 10 100 - 10 - 1652/3.9=1, 1659/4.1=1...(4) Peak 572 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.11 A): 3 out of 17 assignments used, quality = 0.98: * HB ILE 33 + H ILE 33 OK 79 100 - 79 - 3.9=49, 2.1/573=21...(13) HB2 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) HB3 LYS 32 + H ILE 33 OK 66 100 - 66 - 4.3=38, 3.0/3776=23...(10) HG2 PRO 34 - H ILE 33 OK 44 98 - 45 - ~4216=8, ~4217=7...(16) HB2 PRO 34 - H ILE 33 OK 36 97 - 37 - ~4216=6, ~4217=5...(14) HB2 LEU 57 - H ILE 33 OK 35 100 - 35 - 3.1/576=7, 2440/4.8=5...(12) HB2 ARG 54 - H ILE 33 OK 17 100 - 17 - 3.0/99=4, 4568/3.0=2...(5) HB3 LYS 73 - H ILE 33 lone 6 98 - 6 - 3.0/5188=2 HB2 LEU 62 - H ILE 33 lone 4 78 - 6 - HB2 LYS 13 - H ILE 33 lone 4 81 - 5 - 3.0/574=1 HB3 LYS 39 - H ILE 33 lone 4 93 - 4 - HB3 ARG 82 - H ILE 33 lone 3 100 - 3 - HG3 ARG 71 - H ILE 33 lone 3 89 - 3 - HG3 ARG 26 - H ILE 33 lone 2 83 - 3 - HB3 LYS 75 - H ILE 33 lone 2 85 - 2 - HB2 LYS 83 - H ILE 33 lone 1 95 - 1 - HB3 ARG 17 - H ILE 33 lone 1 71 - 1 - Peak 573 from nnoeabs.peaks (0.31, 7.91, 120.59 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.99: * QG2 ILE 33 + H ILE 33 OK 99 100 - 99 - 4.1=93, 2.1/1651=36...(14) Peak 574 from nnoeabs.peaks (1.44, 7.91, 120.59 ppm; 3.50 A): 4 out of 9 assignments used, quality = 0.95: * HG12 ILE 33 + H ILE 33 OK 85 100 - 85 - 4.5=45, 3.0/1651=24...(12) QB ALA 30 + H ILE 33 OK 34 100 - 34 - 4.5/5188=9, 4.9/5556=8...(6) HG13 ILE 89 + H ILE 33 OK 32 100 - 32 - 1665=9, 1668/4.1=6...(10) HB3 LEU 57 + H ILE 33 OK 31 73 - 42 - 3.1/576=10, 2447/4.8=5...(13) HB3 LEU 52 - H ILE 33 OK 12 60 - 20 - 1.8/100=4, 3.0/575=2...(9) HG3 LYS 13 - H ILE 33 OK 11 96 - 11 - 1655/3.9=1, 1662/4.1=1...(5) HB3 LEU 43 - H ILE 33 lone 10 99 - 10 - 3.1/5559=1, 5541/4.6=1...(4) HG2 LYS 13 - H ILE 33 lone 8 81 - 10 - 1655/3.9=1, 1662/4.1=1 HG3 LYS 85 - H ILE 33 lone 4 98 - 4 - Peak 575 from nnoeabs.peaks (1.22, 7.91, 120.59 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.94: * HG13 ILE 33 + H ILE 33 OK 89 100 - 89 - 4.5=55, 3.0/1651=27...(11) QG2 VAL 65 + H ILE 33 OK 46 99 - 47 - 4727/4.1=22, 4725/4.8=9...(9) QG1 VAL 65 - H ILE 33 OK 26 95 - 28 - 4729/4.8=8, 1663/4.1=5...(7) HG13 ILE 40 - H ILE 33 OK 20 96 - 21 - ~4852=6, 1649/3.0=4...(6) HG LEU 52 - H ILE 33 OK 14 73 - 19 - 3.0/100=4, 1656/3.9=2...(8) HG2 ARG 69 - H ILE 33 OK 10 81 - 13 - 1672=3, 1675/4.1=2...(4) QG2 THR 15 - H ILE 33 lone 2 63 - 3 - Peak 576 from nnoeabs.peaks (0.71, 7.91, 120.59 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.99: * QD1 ILE 33 + H ILE 33 OK 95 100 - 95 - 4.8=61, 3.2/573=29...(17) QD2 LEU 57 + H ILE 33 OK 76 100 - 76 - 4612/4.1=21, 1650/3.0=16...(17) Peak 577 from nnoeabs.peaks (6.31, 6.31, 116.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + H PHE 35 OK 100 100 - 100 Peak 578 from nnoeabs.peaks (4.99, 6.31, 116.43 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + H PHE 35 OK 100 100 - 100 - 3.0=100 Peak 579 from nnoeabs.peaks (2.85, 6.31, 116.43 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 35 + H PHE 35 OK 100 100 - 100 - 4.0=100 HB3 ASP 67 - H PHE 35 OK 29 93 - 31 - 1737/3.0=7, 1.8/580=7...(7) HB3 PHE 48 - H PHE 35 OK 15 63 - 24 - 1742/3.0=5, 1741=4...(8) Peak 580 from nnoeabs.peaks (2.91, 6.31, 116.43 ppm; 4.19 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 35 + H PHE 35 OK 100 100 - 100 - 4.0=100 HB2 ASP 67 - H PHE 35 OK 28 93 - 30 - 1.8/579=8, 2737/4.0=7...(6) HB3 TYR 55 - H PHE 35 OK 21 63 - 34 - 5716/4.5=13, 1738/3.0=4...(11) HB2 ASN 49 - H PHE 35 lone 5 93 - 5 - 1738/3.0=1, 1756/4.5=1 Peak 581 from nnoeabs.peaks (6.94, 6.31, 116.43 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.96: * QE PHE 35 + H PHE 35 OK 87 100 - 87 - 2.2/582=46, 6.5=44...(17) HZ PHE 35 + H PHE 35 OK 70 100 - 70 - 3.8/582=35, 8.2=22...(13) HZ PHE 48 - H PHE 35 OK 34 100 - 34 - 4534/4.5=10, 4596/4248=5...(11) HD22 ASN 42 - H PHE 35 OK 12 99 - 12 - 1757/4.5=3, 5935/3.6=2 Peak 582 from nnoeabs.peaks (6.65, 6.31, 116.43 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.91: * QD PHE 35 + H PHE 35 OK 91 100 - 91 - 4.5=71, 5578/4.8=15...(18) Peak 583 from nnoeabs.peaks (8.81, 8.81, 115.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + H THR 37 OK 100 100 - 100 Peak 584 from nnoeabs.peaks (3.94, 8.81, 115.67 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: * HA THR 37 + H THR 37 OK 100 100 - 100 - 3.0=100 HA LEU 62 + H THR 37 OK 61 96 - 64 - 2564=18, 3.0/2571=10...(18) HA GLN 61 - H THR 37 OK 23 60 - 38 - 3.0/932=8, 4.7/2564=7...(9) HA ALA 28 - H THR 37 OK 10 78 - 13 - 1817/4.0=3, 1813/3.8=3, ~1474=1 HA3 GLY 18 - H THR 37 lone 6 99 - 6 - HA2 GLY 18 - H THR 37 lone 6 99 - 6 - HA3 GLY 21 - H THR 37 lone 5 92 - 5 - HA2 GLY 21 - H THR 37 lone 4 90 - 5 - HA GLU 50 - H THR 37 lone 3 63 - 4 - HA2 GLY 72 - H THR 37 lone 2 65 - 4 - Peak 585 from nnoeabs.peaks (4.22, 8.81, 115.67 ppm; 3.93 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 37 + H THR 37 OK 100 100 - 100 - 3.8=100 HA LYS 39 - H THR 37 OK 24 65 - 37 - 3.0/5589=14, ~5603=8...(7) HA THR 15 - H THR 37 lone 7 76 - 9 - 1818/4.0=2, 1810/3.0=2 HA LYS 75 - H THR 37 lone 3 81 - 4 - HA ALA 77 - H THR 37 lone 3 97 - 3 - HA LYS 85 - H THR 37 lone 3 99 - 3 - HA LYS 83 - H THR 37 lone 2 83 - 2 - HA ALA 78 - H THR 37 lone 2 89 - 2 - HA GLN 79 - H THR 37 lone 1 68 - 1 - Peak 586 from nnoeabs.peaks (1.17, 8.81, 115.67 ppm; 3.64 A): 1 out of 5 assignments used, quality = 0.83: * QG2 THR 37 + H THR 37 OK 83 100 - 83 - 4.0=75, 4.1/912=20, 4269/3.6=8 HG LEU 52 - H THR 37 poor 9 73 - 13 - 1811/3.0=3, ~4547=3...(4) QG2 THR 15 - H THR 37 lone 6 83 - 7 - 1811/3.0=2, 1815/3.8=2 HG12 ILE 89 - H THR 37 lone 3 60 - 5 - 1811/3.0=1 QG2 THR 88 - H THR 37 lone 1 71 - 2 - Peak 587 from nnoeabs.peaks (8.70, 8.70, 119.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + H ASP 38 OK 100 100 - 100 Peak 588 from nnoeabs.peaks (4.28, 8.70, 119.49 ppm; 3.28 A): 1 out of 10 assignments used, quality = 1.00: * HA ASP 38 + H ASP 38 OK 100 100 - 100 - 3.0=100 HA LYS 39 - H ASP 38 OK 20 60 - 33 - 3.0/123=22, 3.6/4888=10, ~592=2 HA LEU 64 - H ASP 38 poor 10 85 - 12 - 3.0/913=3, 124/4.6=2...(5) HA SER 60 - H ASP 38 lone 3 100 - 3 - HA THR 88 - H ASP 38 lone 2 100 - 2 - HA ALA 20 - H ASP 38 lone 2 87 - 2 - HA ARG 17 - H ASP 38 lone 2 100 - 2 - HA GLU 19 - H ASP 38 lone 2 78 - 2 - HA LEU 86 - H ASP 38 lone 1 76 - 1 - HA ALA 12 - H ASP 38 lone 1 81 - 1 - Peak 589 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.06 A): 2 out of 4 assignments used, quality = 0.90: * HB2 ASP 38 + H ASP 38 OK 68 100 - 68 - 4.0=46, 1.8/1828=13...(7) HB3 ASP 38 + H ASP 38 OK 68 100 - 68 - 4.0=46, 1.8/1824=13...(7) HG2 GLN 61 - H ASP 38 lone 5 83 - 6 - 3904/4.6=2 HG2 MET 31 - H ASP 38 lone 5 100 - 5 - 1823/3.0=1, ~5355=1 Peak 590 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.06 A): 2 out of 4 assignments used, quality = 0.90: HB2 ASP 38 + H ASP 38 OK 68 100 - 68 - 4.0=46, 1.8/1828=13...(7) * HB3 ASP 38 + H ASP 38 OK 68 100 - 68 - 4.0=46, 1.8/1824=13...(6) HG2 MET 31 - H ASP 38 lone 5 100 - 5 - 1823/3.0=1, ~5355=1 HG2 GLN 61 - H ASP 38 lone 5 81 - 6 - 3904/4.6=2 Peak 591 from nnoeabs.peaks (7.39, 7.39, 117.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 592 from nnoeabs.peaks (4.25, 7.39, 117.25 ppm; 3.56 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 - 100 - 3.0=100 HA ASP 38 + H LYS 39 OK 60 60 - 99 - 3.6=99, 3.0/123=25...(8) HA LYS 75 - H LYS 39 OK 36 99 - 37 - 3.0/593=6, 3068/4.0=4...(14) HA LEU 64 - H LYS 39 OK 35 97 - 36 - 2612=5, 4.3/595=3...(17) HB THR 37 - H LYS 39 OK 25 65 - 38 - 4.4/123=17, 3.0/5603=10...(6) HA LYS 83 - H LYS 39 lone 7 99 - 6 - HA LYS 85 - H LYS 39 lone 5 81 - 7 - HA ALA 20 - H LYS 39 lone 4 97 - 4 - HA THR 15 - H LYS 39 lone 3 100 - 3 - HA GLU 19 - H LYS 39 lone 3 99 - 3 - HA ARG 17 - H LYS 39 lone 2 63 - 4 - HA ALA 77 - H LYS 39 lone 2 89 - 3 - HA ALA 12 - H LYS 39 lone 2 99 - 2 - HA SER 60 - H LYS 39 lone 2 63 - 2 - Peak 593 from nnoeabs.peaks (1.85, 7.39, 117.25 ppm; 3.53 A): 5 out of 14 assignments used, quality = 0.94: * HB2 LYS 39 + H LYS 39 OK 86 100 - 86 - 4.0=66, 4.4/127=15...(10) HB2 LYS 75 + H LYS 39 OK 40 96 - 43 - 1842=8, 1834/3.0=6...(12) HB3 ARG 23 + H LYS 39 OK 10 99 - 10 - 1834/3.0=2, 3.0/595=2...(5) HB2 ARG 23 + H LYS 39 OK 10 99 - 10 - 1834/3.0=2, 3.0/595=2...(5) HB3 PRO 34 + H LYS 39 OK 10 85 - 12 - 129/4.6=3, 1834/3.0=2...(5) HB3 ARG 71 - H LYS 39 lone 4 100 - 4 - HB2 ARG 71 - H LYS 39 lone 4 100 - 4 - HB2 ARG 17 - H LYS 39 lone 4 92 - 4 - HB3 ARG 27 - H LYS 39 lone 3 100 - 3 - HB2 ARG 27 - H LYS 39 lone 3 100 - 3 - HB2 ARG 66 - H LYS 39 lone 2 81 - 2 - HB2 ARG 26 - H LYS 39 lone 1 71 - 2 - HB3 ARG 26 - H LYS 39 lone 1 68 - 2 - HB2 MET 11 - H LYS 39 lone 1 57 - 2 - Peak 594 from nnoeabs.peaks (1.78, 7.39, 117.25 ppm; 3.84 A): 2 out of 16 assignments used, quality = 0.97: * HB3 LYS 39 + H LYS 39 OK 95 100 - 95 - 4.0=85, 1.8/593=20...(12) HB3 LYS 75 + H LYS 39 OK 45 100 - 46 - 1.8/593=9, 1852=6...(16) HB2 ARG 54 - H LYS 39 OK 22 89 - 25 - 1.8/595=5, 5307/4.6=4...(9) HB3 LYS 73 - H LYS 39 OK 17 100 - 17 - 1852=3, 1835/3.0=2...(7) HB2 PRO 34 - H LYS 39 OK 15 100 - 15 - 1.8/593=2, 130/4.6=2...(8) HB2 LYS 13 - H LYS 39 OK 13 99 - 13 - 1835/3.0=2, 1852=2...(5) HB2 ARG 69 - H LYS 39 poor 9 83 - 11 - 130/4.6=2, 1.8/596=2...(4) HB3 LYS 32 - H LYS 39 lone 9 98 - 9 - 1835/3.0=1 HB2 LYS 32 - H LYS 39 lone 9 98 - 9 - 1835/3.0=1 HG2 PRO 34 - H LYS 39 poor 8 76 - 11 - 2.3/593=2, 1723/4.0=2...(5) HB2 LEU 57 - H LYS 39 lone 8 90 - 8 - 4618/5589=1, 4981/5603=1 HB2 LYS 85 - H LYS 39 lone 7 83 - 9 - 1852=1 HB ILE 33 - H LYS 39 lone 7 93 - 7 - 4229/5603=1 HB2 LYS 83 - H LYS 39 lone 6 100 - 6 - HB3 ARG 84 - H LYS 39 lone 5 83 - 5 - HB3 ARG 82 - H LYS 39 lone 4 89 - 4 - Peak 595 from nnoeabs.peaks (1.55, 7.39, 117.25 ppm; 3.92 A): 3 out of 8 assignments used, quality = 0.93: * HG2 LYS 39 + H LYS 39 OK 84 100 - 84 - 4.9=50, 1.8/1872=22...(21) HG LEU 64 + H LYS 39 OK 40 99 - 40 - 1836/3.0=6, 2.1/2647=4...(14) HB3 ARG 54 + H LYS 39 OK 28 100 - 28 - 1836/3.0=5, 5306/4.6=4...(9) HG3 ARG 23 - H LYS 39 OK 13 99 - 13 - 1836/3.0=2, 3.0/593=2...(5) HG LEU 62 - H LYS 39 OK 12 87 - 14 - 4.3/5605=3, 1836/3.0=1...(4) HG3 ARG 54 - H LYS 39 OK 11 63 - 17 - 4.0/914=3, 3.0/594=2...(8) HB3 LEU 86 - H LYS 39 poor 10 92 - 11 - 1836/3.0=2, 1846/4.0=1 HG2 ARG 82 - H LYS 39 lone 4 83 - 5 - Peak 596 from nnoeabs.peaks (1.40, 7.39, 117.25 ppm; 3.99 A): 3 out of 12 assignments used, quality = 0.95: * HG3 LYS 39 + H LYS 39 OK 85 100 - 85 - 4.9=54, 1.8/1862=21...(18) HG3 LYS 75 + H LYS 39 OK 42 92 - 46 - 2.7/593=8, 1837/3.0=6...(18) HG2 LYS 75 + H LYS 39 OK 42 92 - 46 - 2.7/593=8, 1837/3.0=6...(18) QB ALA 53 - H LYS 39 OK 16 96 - 17 - 2.1/5702=4, 2.9/914=4...(6) HG3 LYS 73 - H LYS 39 OK 15 89 - 17 - 1837/3.0=3, 2.9/1852=2...(5) HB3 ARG 69 - H LYS 39 OK 13 97 - 14 - 6077/4.6=3, 1837/3.0=2...(4) HG2 LYS 13 - H LYS 39 OK 13 85 - 15 - 1837/3.0=2, 1021/4.0=2...(4) HG3 ARG 69 - H LYS 39 lone 6 63 - 10 - 6077/4.6=2, 3.0/594=1 HG2 LYS 85 - H LYS 39 lone 5 65 - 7 - QB ALA 20 - H LYS 39 lone 3 65 - 5 - QB ALA 78 - H LYS 39 lone 2 89 - 2 - QB ALA 77 - H LYS 39 lone 2 60 - 2 - Peak 597 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.93 A): 2 out of 16 assignments used, quality = 0.94: HD3 LYS 39 + H LYS 39 OK 76 100 - 76 - 6.2=26, 3.0/1872=18...(16) * HD2 LYS 39 + H LYS 39 OK 76 100 - 76 - 6.2=26, 3.0/1872=18...(16) HG3 ARG 54 - H LYS 39 OK 19 99 - 19 - 4.0/914=3, 1839/3.0=2...(10) HB3 LEU 62 - H LYS 39 OK 14 100 - 14 - 3.0/5605=4, 1839/3.0=1...(4) HD2 LYS 73 - H LYS 39 OK 12 65 - 18 - 3.5/1852=2, 2.9/596=2...(8) HD3 LYS 73 - H LYS 39 OK 12 65 - 18 - 3.5/1852=2, 2.9/596=2...(8) HG LEU 62 - H LYS 39 OK 10 89 - 11 - 4.3/5605=3, 2585/5589=1 HB3 LEU 51 - H LYS 39 poor 10 90 - 11 - 1839/3.0=3, 1869/4.9=2...(4) HG LEU 86 - H LYS 39 lone 8 92 - 8 - 1839/3.0=1, 1869/4.9=1 HB3 LEU 86 - H LYS 39 lone 7 83 - 8 - 1839/3.0=1 HG2 ARG 84 - H LYS 39 lone 6 97 - 6 - HG3 ARG 84 - H LYS 39 lone 6 97 - 6 - HD3 LYS 32 - H LYS 39 lone 6 60 - 10 - HD2 LYS 32 - H LYS 39 lone 6 65 - 9 - 1838/3.0=1 HB3 LEU 29 - H LYS 39 lone 4 100 - 4 - HG3 ARG 70 - H LYS 39 lone 1 60 - 1 - Peak 598 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 3.93 A): 2 out of 14 assignments used, quality = 0.94: * HD3 LYS 39 + H LYS 39 OK 76 100 - 76 - 6.2=26, 3.0/1872=18...(16) HD2 LYS 39 + H LYS 39 OK 76 100 - 76 - 6.2=26, 3.0/1872=18...(16) HG3 ARG 54 - H LYS 39 OK 19 99 - 19 - 4.0/914=3, 1839/3.0=2...(10) HB3 LEU 62 - H LYS 39 OK 14 99 - 14 - 3.0/5605=4, 1839/3.0=1...(4) HD2 LYS 73 - H LYS 39 OK 11 63 - 18 - 3.5/1852=2, 2.9/596=2...(8) HD3 LYS 73 - H LYS 39 OK 11 63 - 18 - 3.5/1852=2, 2.9/596=2...(8) HG LEU 62 - H LYS 39 OK 11 90 - 12 - 4.3/5605=3, 2585/5589=1 HB3 LEU 51 - H LYS 39 poor 9 89 - 11 - 1839/3.0=3, 1869/4.9=2...(4) HG LEU 86 - H LYS 39 lone 8 90 - 8 - 1839/3.0=1, 1869/4.9=1 HB3 LEU 86 - H LYS 39 lone 7 85 - 8 - 1839/3.0=1 HG3 ARG 84 - H LYS 39 lone 6 97 - 6 - HG2 ARG 84 - H LYS 39 lone 6 97 - 6 - HD2 LYS 32 - H LYS 39 lone 6 63 - 9 - 1838/3.0=1 HB3 LEU 29 - H LYS 39 lone 4 100 - 4 - Peak 601 from nnoeabs.peaks (7.24, 7.24, 115.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + H ILE 40 OK 100 100 - 100 Peak 602 from nnoeabs.peaks (3.63, 7.24, 115.36 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 40 + H ILE 40 OK 100 100 - 100 - 3.0=100 HA VAL 65 + H ILE 40 OK 50 100 - 50 - 5033/4.9=12, 1937/4.0=6...(14) HA ARG 69 - H ILE 40 OK 43 100 - 43 - 1937/4.0=6, 1930/3.9=5...(16) HD3 PRO 14 - H ILE 40 OK 22 90 - 24 - 1937/4.0=2, 1930/3.9=2...(12) Peak 603 from nnoeabs.peaks (2.12, 7.24, 115.36 ppm; 3.32 A): 4 out of 4 assignments used, quality = 0.95: * HB ILE 40 + H ILE 40 OK 87 100 - 87 - 3.9=60, 2.1/1936=16...(18) HB2 PRO 36 + H ILE 40 OK 39 100 - 39 - 4867/4.6=10, 1924/3.0=5...(13) HG3 PRO 44 + H ILE 40 OK 23 89 - 26 - 1924/3.0=4, 2.3/4393=3...(10) HG3 PRO 36 + H ILE 40 OK 15 63 - 23 - 4868/4.6=3, ~1924=2...(11) Peak 604 from nnoeabs.peaks (0.93, 7.24, 115.36 ppm; 3.60 A): 3 out of 8 assignments used, quality = 0.99: * QG2 ILE 40 + H ILE 40 OK 93 100 - 93 - 4.0=72, 2.1/1929=21...(19) QG2 VAL 41 + H ILE 40 OK 67 100 - 67 - 4330=15, 4.0/137=14...(17) HG12 ILE 68 + H ILE 40 OK 54 98 - 55 - 3.2/4295=7, 2.9/605=6...(17) QD2 LEU 43 - H ILE 40 OK 40 92 - 43 - 4388/3.0=7, 4918=6...(14) QD2 LEU 62 - H ILE 40 OK 27 100 - 27 - 4.0/4308=2, 1925/3.0=2...(12) QD1 LEU 64 - H ILE 40 OK 18 71 - 25 - 2648/3.6=4, 4.4/127=3...(10) QG2 VAL 76 - H ILE 40 lone 9 98 - 9 - QG1 VAL 76 - H ILE 40 lone 9 98 - 9 - Peak 605 from nnoeabs.peaks (1.90, 7.24, 115.36 ppm; 3.21 A): 5 out of 12 assignments used, quality = 0.95: * HG12 ILE 40 + H ILE 40 OK 74 100 - 74 - 4.6=34, 2.1/607=16...(13) HB ILE 68 + H ILE 40 OK 44 99 - 45 - 5246/4.9=7, 2.1/4295=6...(15) HB VAL 41 + H ILE 40 OK 35 71 - 49 - 3.9/137=12, 2.1/4330=10...(14) HG13 ILE 68 + H ILE 40 OK 33 85 - 39 - 3.2/4295=5, 1.8/604=5...(14) HB3 PRO 14 + H ILE 40 OK 13 87 - 15 - 1113/3.0=3, 3.0/602=2...(6) HB2 GLU 19 - H ILE 40 lone 3 100 - 3 - HB2 MET 11 - H ILE 40 lone 3 83 - 4 - HB3 GLU 87 - H ILE 40 lone 2 100 - 2 - HB2 ARG 66 - H ILE 40 lone 2 60 - 4 - HB3 ARG 26 - H ILE 40 lone 2 73 - 2 - HB2 ARG 26 - H ILE 40 lone 2 71 - 2 - HB2 GLN 91 - H ILE 40 lone 1 99 - 1 - Peak 606 from nnoeabs.peaks (1.23, 7.24, 115.36 ppm; 3.65 A): 3 out of 5 assignments used, quality = 0.96: * HG13 ILE 40 + H ILE 40 OK 87 100 - 87 - 4.6=50, 1.8/1943=22...(14) QG1 VAL 65 + H ILE 40 OK 53 100 - 53 - 5035/4.9=10, 2665/3.0=8...(15) HG2 ARG 69 + H ILE 40 OK 39 98 - 40 - 1927/3.0=5, 3.9/602=4...(15) QG2 VAL 65 - H ILE 40 OK 37 85 - 44 - 2670/3.0=7, 3.2/602=6...(14) HG13 ILE 33 - H ILE 40 OK 21 96 - 21 - 1934/3.9=3, 1941/4.0=3...(9) Peak 607 from nnoeabs.peaks (1.03, 7.24, 115.36 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.94: * QD1 ILE 40 + H ILE 40 OK 89 100 - 89 - 4.9=45, 2.1/1943=22...(20) HG3 PRO 34 + H ILE 40 OK 51 95 - 54 - 1928/3.0=10, 1935/3.9=9...(13) Peak 608 from nnoeabs.peaks (7.63, 7.63, 114.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 41 + H VAL 41 OK 100 100 - 100 Peak 609 from nnoeabs.peaks (3.58, 7.63, 114.41 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + H VAL 41 OK 100 100 - 100 - 3.0=100 HD3 PRO 36 - H VAL 41 OK 38 96 - 39 - 3.0/139=7, 1975/4.0=6...(13) Peak 610 from nnoeabs.peaks (1.93, 7.63, 114.41 ppm; 3.09 A): 3 out of 10 assignments used, quality = 0.89: * HB VAL 41 + H VAL 41 OK 72 100 - 72 - 3.9=51, 2.1/1979=15...(9) HG13 ILE 68 + H VAL 41 OK 42 99 - 42 - 2.1/611=7, 1.8/140=7...(12) HG12 ILE 40 + H VAL 41 OK 36 71 - 51 - 2.9/139=11, 2.1/143=9...(14) HB2 MET 31 - H VAL 41 lone 9 99 - 9 - 4.0/916=2, 146/4.6=2...(5) HB3 ARG 66 - H VAL 41 lone 4 96 - 4 - HB2 GLU 19 - H VAL 41 lone 3 83 - 4 - HG LEU 57 - H VAL 41 lone 2 71 - 3 - HB3 GLU 87 - H VAL 41 lone 2 78 - 2 - HB3 ARG 70 - H VAL 41 lone 1 71 - 2 - HB2 ARG 70 - H VAL 41 lone 1 71 - 2 - Peak 611 from nnoeabs.peaks (0.80, 7.63, 114.41 ppm; 3.53 A): 3 out of 4 assignments used, quality = 0.98: * QG1 VAL 41 + H VAL 41 OK 87 100 - 87 - 4.0=67, 2.1/1979=19...(12) QG2 ILE 68 + H VAL 41 OK 59 95 - 62 - 4753/4.5=8, 1967/3.0=8...(17) QD1 ILE 68 + H VAL 41 OK 55 92 - 60 - 2.1/610=9, 1967/3.0=8...(16) QD1 ILE 89 - H VAL 41 lone 9 92 - 10 - 4296/3.6=1, 4298/4.4=1 Peak 612 from nnoeabs.peaks (0.94, 7.63, 114.41 ppm; 3.03 A): 3 out of 8 assignments used, quality = 0.94: QG2 ILE 40 + H VAL 41 OK 70 100 - 70 - 4.4=33, 2.1/139=13...(13) * QG2 VAL 41 + H VAL 41 OK 69 100 - 69 - 4.0=42, 2.1/1969=14...(7) HG12 ILE 68 + H VAL 41 OK 40 93 - 44 - 1.8/610=8, 2.1/611=6...(13) QD2 LEU 43 - H VAL 41 OK 19 97 - 19 - 4.8/5631=5, 4388/3.6=4...(6) QD2 LEU 62 - H VAL 41 OK 10 100 - 10 - 1925/3.6=1 QD1 LEU 64 - H VAL 41 poor 10 83 - 11 - 3.9/4332=2, 6102/3.9=2...(4) QG2 VAL 76 - H VAL 41 lone 6 93 - 7 - QG1 VAL 76 - H VAL 41 lone 6 93 - 7 - Peak 613 from nnoeabs.peaks (7.72, 7.72, 113.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + H ASN 42 OK 100 100 - 100 Peak 614 from nnoeabs.peaks (4.68, 7.72, 113.33 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 42 + H ASN 42 OK 100 100 - 100 - 3.0=100 HA PRO 56 - H ASN 42 OK 13 99 - 13 - ~2400=3, ~2407=2, 4340/4.1=2 Peak 615 from nnoeabs.peaks (2.76, 7.72, 113.33 ppm; 3.24 A): 2 out of 4 assignments used, quality = 0.93: HB3 ASN 42 + H ASN 42 OK 73 100 - 73 - 4.1=50, 3.5/5089=12...(10) * HB2 ASN 42 + H ASN 42 OK 73 100 - 73 - 4.1=50, 3.5/5089=12...(10) HB3 ASN 74 - H ASN 42 lone 4 73 - 5 - 3.5/144=1 HB3 ASN 80 - H ASN 42 lone 4 100 - 3 - Peak 616 from nnoeabs.peaks (2.76, 7.72, 113.33 ppm; 3.24 A): 2 out of 4 assignments used, quality = 0.93: * HB3 ASN 42 + H ASN 42 OK 73 100 - 73 - 4.1=50, 3.5/5089=12...(10) HB2 ASN 42 + H ASN 42 OK 73 100 - 73 - 4.1=50, 3.5/5089=12...(10) HB3 ASN 74 - H ASN 42 lone 4 78 - 5 - 3.5/144=1 HB3 ASN 80 - H ASN 42 lone 4 100 - 3 - Peak 618 from nnoeabs.peaks (6.94, 7.72, 113.33 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.94: * HD22 ASN 42 + H ASN 42 OK 91 100 - 91 - 5.7=59, 1.7/5089=33...(11) QE PHE 35 + H ASN 42 OK 32 99 - 32 - 4687/4.1=7, 4687/4.1=7...(7) HZ PHE 35 - H ASN 42 OK 22 99 - 22 - 4329/4.1=5, 5628/4.4=5...(6) HZ PHE 48 - H ASN 42 OK 21 97 - 22 - 4329/4.1=4, 7.2/5290=4...(6) Peak 619 from nnoeabs.peaks (7.52, 7.52, 120.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LEU 43 OK 100 100 - 100 Peak 620 from nnoeabs.peaks (4.53, 7.52, 120.92 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 - 100 - 3.0=100 HA LYS 13 + H LEU 43 OK 57 99 - 57 - 2002=11, 2017/3.9=8...(17) Peak 621 from nnoeabs.peaks (1.72, 7.52, 120.92 ppm; 3.33 A): 5 out of 12 assignments used, quality = 0.91: * HB2 LEU 43 + H LEU 43 OK 80 100 - 81 - 3.9=60, 1.8/622=13...(12) HB3 LEU 64 + H LEU 43 OK 22 65 - 34 - 3.0/4694=7, 1.8/623=5...(13) HB2 LEU 29 + H LEU 43 OK 17 99 - 18 - 2018/3.9=3, 2032/4.8=2...(9) HB3 LYS 85 + H LEU 43 OK 16 100 - 16 - 3.0/4371=3, 2018/3.9=2...(6) HB2 LEU 62 + H LEU 43 OK 11 78 - 13 - 3.1/625=2, 2018/3.9=2...(7) HB3 LYS 83 - H LEU 43 lone 7 99 - 7 - 3.0/4371=1 HB2 ARG 84 - H LEU 43 lone 5 100 - 5 - HG2 ARG 70 - H LEU 43 lone 3 90 - 4 - HG3 ARG 66 - H LEU 43 lone 2 60 - 4 - HB3 ARG 17 - H LEU 43 lone 1 85 - 2 - HG3 ARG 26 - H LEU 43 lone 1 73 - 2 - HG3 ARG 71 - H LEU 43 lone 1 65 - 2 - Peak 622 from nnoeabs.peaks (1.44, 7.52, 120.92 ppm; 3.62 A): 2 out of 7 assignments used, quality = 0.95: * HB3 LEU 43 + H LEU 43 OK 92 100 - 92 - 3.9=78, 1.8/621=19...(13) HG2 LYS 13 + H LEU 43 OK 39 93 - 42 - 3.9/620=8, 1020/3.0=6...(19) HG3 LYS 13 - H LEU 43 OK 34 85 - 40 - 3.9/620=8, ~1020=5...(19) HG13 ILE 89 - H LEU 43 OK 23 100 - 23 - 2012/3.9=4, 2.1/624=3...(10) HG3 LYS 85 - H LEU 43 OK 14 90 - 16 - 2.9/621=3, 3.8/4371=2...(6) QB ALA 30 - H LEU 43 OK 13 99 - 13 - 3.6/149=3, 4843/3.9=2...(5) HG12 ILE 33 - H LEU 43 lone 9 99 - 9 - 2033/4.8=1, 2012/3.9=1 Peak 623 from nnoeabs.peaks (1.99, 7.52, 120.92 ppm; 3.37 A): 5 out of 10 assignments used, quality = 0.93: * HG LEU 43 + H LEU 43 OK 65 100 - 65 - 5.3=26, 2.1/2030=13...(8) HG3 PRO 14 + H LEU 43 OK 39 100 - 39 - 2.3/4372=8, ~4802=5...(14) HG2 PRO 14 + H LEU 43 OK 39 100 - 39 - 2.3/4372=8, ~4802=5...(14) HB2 LEU 64 + H LEU 43 OK 31 89 - 35 - 3.0/4694=7, 1.8/621=5...(12) QE MET 31 + H LEU 43 OK 18 100 - 18 - 5074/4.8=4, 5073/4.8=4...(6) HG2 ARG 66 - H LEU 43 lone 3 78 - 3 - HB3 GLN 79 - H LEU 43 lone 2 99 - 2 - HB2 GLN 79 - H LEU 43 lone 1 78 - 2 - HB3 MET 11 - H LEU 43 lone 1 87 - 1 - HB VAL 90 - H LEU 43 lone 0 57 - 1 - Peak 624 from nnoeabs.peaks (0.83, 7.52, 120.92 ppm; 3.72 A): 3 out of 7 assignments used, quality = 0.92: * QD1 LEU 43 + H LEU 43 OK 81 100 - 81 - 4.8=46, 3.1/2009=15...(16) QD2 LEU 64 + H LEU 43 OK 41 92 - 45 - 3.9/4694=9, 2.1/625=6...(14) QG2 ILE 89 + H LEU 43 OK 26 96 - 27 - 3617/4.8=4, 3616/3.9=4...(9) QD1 ILE 89 - H LEU 43 OK 22 85 - 26 - 3635/4.8=4, 5274/3.9=4...(12) QD2 LEU 29 - H LEU 43 OK 18 92 - 19 - 3.1/621=3, 2014/3.9=3...(8) QG2 ILE 68 - H LEU 43 OK 12 81 - 14 - 5041/5631=1, 3.2/625=1...(5) QD2 LEU 86 - H LEU 43 lone 10 100 - 10 - 2014/3.9=1, 2021/3.9=1 Peak 625 from nnoeabs.peaks (0.94, 7.52, 120.92 ppm; 3.68 A): 4 out of 8 assignments used, quality = 0.97: * QD2 LEU 43 + H LEU 43 OK 83 100 - 83 - 4.8=45, 2038/3.0=20...(15) QD1 LEU 64 + H LEU 43 OK 44 97 - 45 - 3.9/4694=8, 2.1/624=7...(15) QG2 ILE 40 + H LEU 43 OK 40 92 - 43 - 3.2/4372=10, 4.4/5631=8...(15) QG2 VAL 41 + H LEU 43 OK 39 97 - 40 - 4.1/149=14, 4.0/5631=9...(12) QD2 LEU 62 - H LEU 43 OK 20 92 - 22 - 2015/3.9=2, 2022/3.9=2...(9) HG12 ILE 68 - H LEU 43 OK 10 73 - 14 - 148/4.6=2, 3.2/624=1 QG2 VAL 76 - H LEU 43 lone 4 73 - 5 - QG1 VAL 76 - H LEU 43 lone 4 73 - 5 - Peak 626 from nnoeabs.peaks (8.62, 8.62, 122.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 45 + H VAL 45 OK 100 100 - 100 Peak 627 from nnoeabs.peaks (3.69, 8.62, 122.56 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 45 + H VAL 45 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 + H VAL 45 OK 53 76 - 70 - 3.6/155=28, 3.0/156=22...(16) HD3 PRO 56 - H VAL 45 OK 39 100 - 39 - 2109/4.0=5, 2104/4.0=5...(18) HD2 PRO 56 - H VAL 45 OK 39 100 - 39 - 2109/4.0=5, 2104/4.0=5...(18) Peak 628 from nnoeabs.peaks (2.06, 8.62, 122.56 ppm; 3.29 A): 3 out of 17 assignments used, quality = 0.96: * HB VAL 45 + H VAL 45 OK 83 100 - 83 - 3.9=58, 2.1/629=28...(8) HB3 PRO 44 + H VAL 45 OK 57 71 - 81 - 4.2=49, 2.3/155=30...(17) HG2 PRO 44 + H VAL 45 OK 46 87 - 53 - 3.8/155=19, 2.3/156=18...(13) HB2 PRO 56 - H VAL 45 OK 18 76 - 23 - 3.0/627=4, 3.0/627=4...(11) HG3 PRO 56 - H VAL 45 OK 17 71 - 24 - 2.3/627=4, 2.3/627=4...(13) HG2 PRO 56 - H VAL 45 OK 17 63 - 27 - 2.3/627=4, 2.3/627=4...(15) HG2 PRO 36 - H VAL 45 lone 6 63 - 9 - 2.3/156=3, 2060/3.6=2 HB3 MET 31 - H VAL 45 lone 5 100 - 5 - HB3 GLU 50 - H VAL 45 lone 4 71 - 6 - 3.9/181=2 HB2 GLU 50 - H VAL 45 lone 4 71 - 6 - 3.9/181=2 HB3 GLU 25 - H VAL 45 lone 2 97 - 2 - HB2 GLU 25 - H VAL 45 lone 2 96 - 2 - HB3 GLU 59 - H VAL 45 lone 2 68 - 2 - HB2 GLU 59 - H VAL 45 lone 2 68 - 2 - HB VAL 76 - H VAL 45 lone 1 81 - 1 - HB3 GLN 91 - H VAL 45 lone 1 71 - 1 - HB3 GLU 19 - H VAL 45 lone 1 65 - 1 - Peak 629 from nnoeabs.peaks (1.07, 8.62, 122.56 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.92: * QG2 VAL 45 + H VAL 45 OK 92 100 - 92 - 4.0=75, 2.1/630=28...(12) Peak 630 from nnoeabs.peaks (0.99, 8.62, 122.56 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.94: * QG1 VAL 45 + H VAL 45 OK 92 100 - 92 - 4.0=72, 2.1/629=33...(12) QD1 LEU 57 + H VAL 45 OK 21 97 - 22 - 2097/3.0=7, 2107/4.0=5...(5) Peak 631 from nnoeabs.peaks (8.77, 8.77, 119.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 46 + H ASP 46 OK 100 100 - 100 Peak 632 from nnoeabs.peaks (4.49, 8.77, 119.44 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 46 + H ASP 46 OK 100 100 - 100 - 3.0=100 HA ASP 24 - H ASP 46 OK 30 99 - 30 - 3.0/634=6, 1318/4.0=5...(11) HA ASP 67 - H ASP 46 OK 25 90 - 28 - 2113=6, 4417/4.2=4...(12) Peak 633 from nnoeabs.peaks (2.70, 8.77, 119.44 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.87: * HB2 ASP 46 + H ASP 46 OK 79 100 - 79 - 4.0=64, 1.8/634=27...(5) HB3 ASN 49 + H ASP 46 OK 35 81 - 44 - 4.0/175=9, 5360/3.0=8...(11) HB2 ASN 80 - H ASP 46 lone 2 100 - 2 - HD2 PRO 34 - H ASP 46 lone 2 73 - 2 - Peak 634 from nnoeabs.peaks (2.55, 8.77, 119.44 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.76: * HB3 ASP 46 + H ASP 46 OK 70 100 - 70 - 4.0=52, 1.8/633=21...(5) HB2 ASP 24 + H ASP 46 OK 20 99 - 21 - 1321/3.0=6, 3.0/632=4...(6) HG3 MET 31 - H ASP 46 lone 5 76 - 7 - 4410/4.2=1 HB2 GLN 61 - H ASP 46 lone 5 81 - 6 - 5771/4.2=2, 170/4.6=1 Peak 635 from nnoeabs.peaks (7.27, 7.27, 119.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 47 + H ASP 47 OK 100 100 - 100 Peak 636 from nnoeabs.peaks (4.39, 7.27, 119.22 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 - 100 - 3.0=100 HA MET 11 - H ASP 47 lone 9 97 - 9 - 2130/4.1=2, ~963=2...(5) Peak 637 from nnoeabs.peaks (2.67, 7.27, 119.22 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.86: * HB2 ASP 47 + H ASP 47 OK 76 100 - 76 - 4.1=54, 1.8/638=24...(11) HB3 ASN 49 + H ASP 47 OK 41 96 - 43 - 4.0/4491=9, 2127/3.0=7...(9) Peak 638 from nnoeabs.peaks (2.59, 7.27, 119.22 ppm; 3.18 A): 3 out of 3 assignments used, quality = 0.80: * HB3 ASP 47 + H ASP 47 OK 69 100 - 69 - 4.1=48, 1.8/637=21...(8) HB3 ASP 24 + H ASP 47 OK 26 100 - 26 - 2128/3.0=5, 3.0/168=5...(8) HG2 GLN 61 + H ASP 47 OK 13 97 - 13 - 1.8/6064=3, 2128/3.0=2...(5) Peak 639 from nnoeabs.peaks (8.77, 8.77, 123.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 48 + H PHE 48 OK 100 100 - 100 Peak 640 from nnoeabs.peaks (4.03, 8.77, 123.38 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 48 + H PHE 48 OK 100 100 - 100 - 3.0=100 HD2 PRO 44 + H PHE 48 OK 71 99 - 72 - 3.0/5131=10, 1.8/4451=9...(22) HA ARG 54 - H PHE 48 OK 14 78 - 18 - 3.0/5660=2, ~4453=2...(11) HA GLU 59 - H PHE 48 OK 11 92 - 12 - 4426/4.6=1, 4434/4.3=1 HB2 SER 22 - H PHE 48 lone 5 85 - 6 - 4547/4.4=1 HA ARG 70 - H PHE 48 lone 3 63 - 4 - Peak 641 from nnoeabs.peaks (3.13, 8.77, 123.38 ppm; 3.43 A): 1 out of 5 assignments used, quality = 0.84: * HB2 PHE 48 + H PHE 48 OK 84 100 - 84 - 4.0=61, 1.8/642=19...(13) HD2 ARG 84 - H PHE 48 lone 6 78 - 8 - 2139/3.0=2, 3.5/4458=1, ~2139=1 HD3 ARG 84 - H PHE 48 lone 5 73 - 7 - 2139/3.0=2, ~2139=1, 3.5/4458=1 HD2 ARG 71 - H PHE 48 lone 4 92 - 5 - 2139/3.0=1 HD2 ARG 82 - H PHE 48 lone 2 76 - 2 - Peak 642 from nnoeabs.peaks (2.88, 8.77, 123.38 ppm; 3.41 A): 5 out of 5 assignments used, quality = 0.94: * HB3 PHE 48 + H PHE 48 OK 84 100 - 84 - 4.0=60, 1.8/641=29...(10) HB2 ASN 49 + H PHE 48 OK 43 92 - 47 - 4.0/921=12, 1.8/173=11...(10) HB3 PHE 35 + H PHE 48 OK 11 63 - 18 - 2140/3.0=3, 2149=3...(9) HB2 ASP 67 + H PHE 48 OK 11 92 - 12 - 3.0/2113=2, 178/4.6=2...(4) HB2 PHE 35 + H PHE 48 OK 11 57 - 19 - 4549/4.4=3, 2140/3.0=3...(8) Peak 644 from nnoeabs.peaks (7.07, 8.77, 123.38 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.96: * QD PHE 48 + H PHE 48 OK 96 100 - 97 - 4.4=82, 2.5/641=34...(17) QD TYR 81 - H PHE 48 OK 34 99 - 34 - 2142/3.0=9, 2148/4.0=8...(9) Peak 645 from nnoeabs.peaks (8.65, 8.65, 117.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 49 + H ASN 49 OK 100 100 - 100 Peak 646 from nnoeabs.peaks (4.14, 8.65, 117.58 ppm; 3.44 A): 1 out of 9 assignments used, quality = 1.00: * HA ASN 49 + H ASN 49 OK 100 100 - 100 - 3.0=100 HA ALA 30 - H ASN 49 OK 13 100 - 13 - 3.6/922=3, 2168/4.0=2...(5) HA ALA 53 - H ASN 49 poor 10 71 - 14 - 3.6/4490=3, 182/4.5=3...(6) HA GLN 91 - H ASN 49 lone 4 100 - 4 - HA LEU 29 - H ASN 49 lone 3 78 - 4 - 182/4.5=1 HA ARG 23 - H ASN 49 lone 3 96 - 3 - HA ARG 27 - H ASN 49 lone 2 76 - 2 - HB THR 15 - H ASN 49 lone 2 60 - 3 - HB THR 88 - H ASN 49 lone 1 85 - 2 - Peak 647 from nnoeabs.peaks (2.90, 8.65, 117.58 ppm; 3.12 A): 4 out of 4 assignments used, quality = 0.95: * HB2 ASN 49 + H ASN 49 OK 76 100 - 76 - 4.0=48, 1.8/2173=19...(13) HB3 PHE 48 + H ASN 49 OK 69 90 - 77 - 4.3=39, 1.8/177=24...(16) HB2 ASP 67 + H ASN 49 OK 19 100 - 18 - 3.0/4489=5, 2163/3.0=3...(6) HB3 PHE 35 + H ASN 49 OK 14 95 - 14 - 2151/4.3=2, 2140/3.6=2...(7) Peak 648 from nnoeabs.peaks (2.68, 8.65, 117.58 ppm; 3.49 A): 3 out of 4 assignments used, quality = 0.95: * HB3 ASN 49 + H ASN 49 OK 88 100 - 88 - 4.0=67, 1.8/2167=24...(12) HB2 ASP 47 + H ASN 49 OK 45 96 - 47 - 4.3/921=12, 4.1/4491=11...(11) HB2 ASP 46 + H ASN 49 OK 35 81 - 43 - 3.0/4489=13, 4.6/4491=9...(10) HB2 ASN 80 - H ASN 49 lone 2 71 - 3 - 3.5/4490=1 Peak 649 from nnoeabs.peaks (6.86, 8.65, 117.58 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.96: * HD21 ASN 49 + H ASN 49 OK 94 100 - 94 - 5.3=70, 1.7/650=45...(8) HE22 GLN 79 + H ASN 49 OK 41 100 - 41 - 435=10, 2177/4.0=9...(8) Peak 650 from nnoeabs.peaks (7.83, 8.65, 117.58 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.83: * HD22 ASN 49 + H ASN 49 OK 83 100 - 83 - 5.3=50, 3.5/2167=24...(8) Peak 651 from nnoeabs.peaks (7.73, 7.73, 120.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + H GLU 50 OK 100 100 - 100 Peak 652 from nnoeabs.peaks (3.96, 7.73, 120.91 ppm; 3.37 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 50 + H GLU 50 OK 100 100 - 100 - 3.0=100 HA GLN 61 - H GLU 50 OK 20 100 - 20 - 2179=5, 5.7/5672=2...(7) HA ALA 28 - H GLU 50 OK 12 99 - 12 - 3.6/5525=2, 2.1/4501=2...(4) HA VAL 76 - H GLU 50 lone 8 100 - 8 - 3158/3.9=1, 3158/3.9=1 HA LYS 32 - H GLU 50 lone 8 95 - 9 - 3.0/89=2, 188/4.6=1 HA2 GLY 21 - H GLU 50 lone 4 96 - 4 - HA3 GLY 21 - H GLU 50 lone 4 95 - 4 - HA2 GLY 72 - H GLU 50 lone 4 100 - 4 - HA ARG 66 - H GLU 50 lone 3 95 - 3 - HA THR 37 - H GLU 50 lone 2 63 - 4 - Peak 653 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 3 out of 16 assignments used, quality = 0.85: * HB2 GLU 50 + H GLU 50 OK 60 100 - 60 - 3.9=38, 3.0/655=12...(7) HB3 GLU 50 + H GLU 50 OK 60 100 - 60 - 3.9=38, 3.0/655=12...(7) HB2 GLU 87 + H GLU 50 OK 10 98 - 10 - 3.0/656=3, 3.0/656=3 HD2 ARG 69 - H GLU 50 lone 8 97 - 8 - 3.0/4501=2 HD3 ARG 69 - H GLU 50 lone 8 97 - 8 - 3.0/4501=2 HB3 MET 31 - H GLU 50 poor 8 57 - 14 - 3.0/4506=3, 1.8/1530=2...(4) HG2 PRO 44 - H GLU 50 lone 7 99 - 8 - 4480/4.5=1, 4439/4506=1 HB VAL 45 - H GLU 50 lone 7 71 - 10 - 4.4/5671=3, 3.9/181=2 HB3 GLU 19 - H GLU 50 lone 4 100 - 4 - HB VAL 76 - H GLU 50 lone 4 100 - 4 - HB2 GLU 25 - H GLU 50 lone 3 95 - 3 - HB3 GLU 25 - H GLU 50 lone 3 93 - 3 - HG2 PRO 56 - H GLU 50 lone 2 100 - 2 - HB3 PRO 56 - H GLU 50 lone 2 98 - 2 - HB3 GLN 91 - H GLU 50 lone 2 100 - 2 - HB VAL 90 - H GLU 50 lone 1 78 - 1 - Peak 654 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 3 out of 16 assignments used, quality = 0.85: HB2 GLU 50 + H GLU 50 OK 60 100 - 60 - 3.9=38, 3.0/655=12...(7) * HB3 GLU 50 + H GLU 50 OK 60 100 - 60 - 3.9=38, 3.0/655=12...(7) HB2 GLU 87 + H GLU 50 OK 10 98 - 10 - 3.0/656=3, 3.0/656=3 HD2 ARG 69 - H GLU 50 lone 8 97 - 8 - 3.0/4501=2 HD3 ARG 69 - H GLU 50 lone 8 97 - 8 - 3.0/4501=2 HB3 MET 31 - H GLU 50 poor 8 57 - 14 - 3.0/4506=3, 1.8/1530=2...(4) HG2 PRO 44 - H GLU 50 lone 7 99 - 8 - 4480/4.5=1, 4439/4506=1 HB VAL 45 - H GLU 50 lone 7 71 - 10 - 4.4/5671=3, 3.9/181=2 HB3 GLU 19 - H GLU 50 lone 4 100 - 4 - HB VAL 76 - H GLU 50 lone 4 100 - 4 - HB2 GLU 25 - H GLU 50 lone 3 95 - 3 - HB3 GLU 25 - H GLU 50 lone 3 93 - 3 - HG2 PRO 56 - H GLU 50 lone 2 100 - 2 - HB3 PRO 56 - H GLU 50 lone 2 98 - 2 - HB3 GLN 91 - H GLU 50 lone 2 100 - 2 - HB VAL 90 - H GLU 50 lone 1 78 - 1 - Peak 655 from nnoeabs.peaks (2.37, 7.73, 120.91 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.73: * HG2 GLU 50 + H GLU 50 OK 73 100 - 73 - 4.9=50, 1.8/656=19...(6) HG3 MET 11 - H GLU 50 lone 7 83 - 9 - 3.7/4506=3, 4934/4506=1 HB VAL 65 - H GLU 50 lone 6 87 - 7 - 2183/3.0=2, 5798/5672=1 HG2 GLU 59 - H GLU 50 lone 4 63 - 5 - 2197=2 Peak 656 from nnoeabs.peaks (2.21, 7.73, 120.91 ppm; 3.81 A): 3 out of 5 assignments used, quality = 0.87: * HG3 GLU 50 + H GLU 50 OK 73 100 - 73 - 4.9=47, 1.8/655=29...(6) HG2 GLU 87 + H GLU 50 OK 30 99 - 31 - 2203=6, 1.8/2203=5...(10) HG3 GLU 87 + H GLU 50 OK 30 98 - 30 - 2203=6, 1.8/2203=5...(10) HG3 GLU 19 - H GLU 50 poor 9 73 - 12 - 2203=2, 1.8/2203=2...(5) HG2 GLU 19 - H GLU 50 poor 9 73 - 12 - 2203=2, 1.8/2203=2...(5) Peak 657 from nnoeabs.peaks (7.53, 7.53, 121.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 51 + H LEU 51 OK 100 100 - 100 Peak 658 from nnoeabs.peaks (3.89, 7.53, 121.73 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 51 + H LEU 51 OK 100 100 - 100 - 3.0=100 HA ILE 33 - H LEU 51 OK 25 100 - 25 - 2224/3.9=4, 5545/4.6=4...(10) HB3 SER 22 - H LEU 51 OK 24 100 - 24 - 1.8/4525=4, 2224/3.9=4...(8) HD2 PRO 36 - H LEU 51 OK 11 81 - 13 - 2245/4.5=3, 2238/4.5=2...(5) Peak 659 from nnoeabs.peaks (1.32, 7.53, 121.73 ppm; 3.12 A): 3 out of 7 assignments used, quality = 0.95: * HB2 LEU 51 + H LEU 51 OK 81 100 - 81 - 3.9=53, 3.1/662=16...(13) HG2 ARG 54 + H LEU 51 OK 55 92 - 60 - 2323=8, 3.0/2307=7...(24) HB2 LEU 52 + H LEU 51 OK 42 93 - 46 - 3.9/924=11, 4.6/926=5...(14) HG3 LYS 32 - H LEU 51 OK 15 99 - 16 - 2211/3.0=2, 2225/3.9=2...(8) QB ALA 28 - H LEU 51 poor 10 89 - 11 - 2.1/188=2, 2211/3.0=1, 666/4.6=1 QG2 THR 58 - H LEU 51 lone 6 98 - 6 - 5755/4.6=1 QB ALA 12 - H LEU 51 lone 2 97 - 2 - Peak 660 from nnoeabs.peaks (1.60, 7.53, 121.73 ppm; 3.13 A): 2 out of 19 assignments used, quality = 0.89: * HB3 LEU 51 + H LEU 51 OK 81 100 - 81 - 3.9=53, 3.1/662=16...(10) HG3 ARG 54 + H LEU 51 OK 43 76 - 56 - 1.8/659=9, 3.0/2307=7...(23) HB3 LEU 62 - H LEU 51 OK 14 97 - 15 - 3.1/661=2, 196/4.6=2...(4) HD2 LYS 39 - H LEU 51 OK 14 90 - 16 - 6085/4.5=3, 6086/4.5=3...(6) HD3 LYS 39 - H LEU 51 OK 14 89 - 16 - 6085/4.5=3, 6086/4.5=3...(6) HG LEU 86 - H LEU 51 OK 12 100 - 12 - 2.1/661=3, 2212/3.0=1, ~2213=1 HD2 LYS 32 - H LEU 51 OK 11 97 - 11 - 3.0/659=2, 2212/3.0=1 HB2 LEU 86 - H LEU 51 OK 10 92 - 11 - 3.1/661=2, 2212/3.0=1, ~5220=1 HD3 LYS 32 - H LEU 51 poor 10 95 - 11 - 3.0/659=2, 2212/3.0=1 HB3 LEU 29 - H LEU 51 lone 7 85 - 9 - 3.1/661=2 HD3 LYS 73 - H LEU 51 lone 4 97 - 4 - HD2 LYS 73 - H LEU 51 lone 4 97 - 4 - HG3 ARG 84 - H LEU 51 lone 3 99 - 3 - HG2 ARG 84 - H LEU 51 lone 3 99 - 3 - HG3 ARG 70 - H LEU 51 lone 2 95 - 2 - HG2 ARG 17 - H LEU 51 lone 1 85 - 1 - HG3 ARG 17 - H LEU 51 lone 1 83 - 1 - HG2 ARG 71 - H LEU 51 lone 1 83 - 1 - HG2 ARG 26 - H LEU 51 lone 1 78 - 1 - Peak 661 from nnoeabs.peaks (0.89, 7.53, 121.73 ppm; 4.14 A): 2 out of 9 assignments used, quality = 0.95: * HG LEU 51 + H LEU 51 OK 92 100 - 92 - 5.2=50, 2.1/662=35...(12) QD1 LEU 86 + H LEU 51 OK 28 100 - 28 - 2213/3.0=5, 2227/3.9=4...(11) QD1 LEU 62 - H LEU 51 OK 27 87 - 32 - 2213/3.0=5, 197/4.6=4...(12) QD1 LEU 29 - H LEU 51 OK 20 96 - 21 - 2227/3.9=3, 2213/3.0=3...(7) QG2 VAL 90 - H LEU 51 OK 13 99 - 13 - 2213/3.0=2, 2227/3.9=2...(8) QG1 VAL 90 - H LEU 51 OK 13 99 - 13 - 2213/3.0=2, 2227/3.9=2...(8) QG2 VAL 76 - H LEU 51 lone 5 60 - 9 - 3.2/188=2, 2.1/190=1 QG1 VAL 76 - H LEU 51 lone 5 60 - 9 - 3.2/188=2, 2.1/190=1 HG12 ILE 68 - H LEU 51 lone 3 60 - 5 - Peak 662 from nnoeabs.peaks (0.19, 7.53, 121.73 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.97: * QD2 LEU 51 + H LEU 51 OK 97 100 - 97 - 4.5=80, 2.1/663=36...(16) Peak 663 from nnoeabs.peaks (0.62, 7.53, 121.73 ppm; 4.25 A): 1 out of 1 assignment used, quality = 0.98: * QD1 LEU 51 + H LEU 51 OK 98 100 - 98 - 4.5=83, 2215/3.0=40...(16) Peak 664 from nnoeabs.peaks (7.43, 7.43, 115.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + H LEU 52 OK 100 100 - 100 Peak 665 from nnoeabs.peaks (3.81, 7.43, 115.28 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + H LEU 52 OK 100 100 - 100 - 3.0=100 HD2 PRO 14 - H LEU 52 OK 20 83 - 24 - 2266/3.9=5, 2280/4.8=3...(9) Peak 666 from nnoeabs.peaks (1.33, 7.43, 115.28 ppm; 3.31 A): 2 out of 8 assignments used, quality = 0.97: * HB2 LEU 52 + H LEU 52 OK 89 100 - 90 - 3.9=60, 3.1/670=21...(14) HB2 LEU 51 + H LEU 52 OK 70 93 - 75 - 4.6=36, 1.8/3858=16...(13) QB ALA 28 - H LEU 52 OK 22 100 - 22 - 5532/5.0=4, 2253/3.0=3...(8) HG2 ARG 54 - H LEU 52 OK 21 60 - 35 - 2211/3.6=5, 4.9/193=5...(10) HG3 LYS 32 - H LEU 52 OK 17 99 - 17 - 2211/3.6=2, 2253/3.0=2...(10) QG2 THR 58 - H LEU 52 lone 6 76 - 8 - 5755=1 QB ALA 12 - H LEU 52 lone 5 100 - 4 - QB ALA 16 - H LEU 52 lone 1 73 - 2 - Peak 667 from nnoeabs.peaks (1.47, 7.43, 115.28 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.95: * HB3 LEU 52 + H LEU 52 OK 89 100 - 89 - 3.9=61, 3.1/670=21...(11) HB3 LEU 57 + H LEU 52 OK 38 100 - 38 - ~4607=7, ~4551=6...(10) QB ALA 63 + H LEU 52 OK 32 95 - 34 - 3913=9, 2.9/934=7...(11) HG12 ILE 33 - H LEU 52 OK 16 60 - 27 - 2.1/4210=6, 1.8/668=5...(11) HG2 LYS 73 - H LEU 52 OK 10 100 - 10 - 203/4.5=2, 2254/3.0=1 QB ALA 30 - H LEU 52 poor 8 63 - 13 - 3.6/5687=3, 2.1/4542=3 HG3 LYS 13 - H LEU 52 lone 3 89 - 4 - HG3 LYS 85 - H LEU 52 lone 2 83 - 2 - Peak 668 from nnoeabs.peaks (1.20, 7.43, 115.28 ppm; 3.23 A): 3 out of 5 assignments used, quality = 0.91: * HG LEU 52 + H LEU 52 OK 80 100 - 80 - 5.0=26, 2.1/670=25...(12) QG2 VAL 65 + H LEU 52 OK 41 89 - 47 - 4726/4.8=11, 5315/4.8=9...(12) HG13 ILE 33 + H LEU 52 OK 21 73 - 29 - 2.1/4210=6, 3.9/194=3...(13) QG2 THR 37 - H LEU 52 poor 8 73 - 11 - 6128/3.9=3, 2255/3.0=1 QG2 THR 15 - H LEU 52 lone 7 100 - 7 - 2255/3.0=1, 2269/3.9=1 Peak 669 from nnoeabs.peaks (0.44, 7.43, 115.28 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.93: * QD1 LEU 52 + H LEU 52 OK 93 100 - 93 - 4.8=53, 2.1/670=35...(14) Peak 670 from nnoeabs.peaks (0.51, 7.43, 115.28 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.93: * QD2 LEU 52 + H LEU 52 OK 93 100 - 93 - 4.8=51, 2257/3.0=35...(16) Peak 671 from nnoeabs.peaks (7.22, 7.22, 117.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + H ALA 53 OK 100 100 - 100 Peak 672 from nnoeabs.peaks (4.16, 7.22, 117.09 ppm; 3.17 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 53 + H ALA 53 OK 100 100 - 100 - 3.0=100 HA ASN 49 - H ALA 53 OK 21 71 - 29 - 4494/4.5=6, 4483/4.6=5...(9) HA LYS 73 - H ALA 53 OK 12 95 - 13 - 3.8/203=2, 3.8/673=2...(5) HA LEU 29 - H ALA 53 lone 9 100 - 9 - 4183/4.6=1, 4.9/202=1 HA ALA 30 - H ALA 53 lone 5 63 - 8 - 3.6/4559=2, 2.1/203=1 HB THR 15 - H ALA 53 lone 4 100 - 4 - 2.1/204=1 HA ARG 82 - H ALA 53 lone 3 95 - 3 - HA ARG 84 - H ALA 53 lone 2 81 - 3 - HA ILE 89 - H ALA 53 lone 2 99 - 2 - Peak 673 from nnoeabs.peaks (1.39, 7.22, 117.09 ppm; 2.71 A): 2 out of 12 assignments used, quality = 0.85: * QB ALA 53 + H ALA 53 OK 83 100 - 83 - 2.9=79, 3.6/207=11...(5) HG3 LYS 73 + H ALA 53 OK 10 100 - 10 - 1.8/203=2, 2295/3.0=1, 3.8/672=1 HG3 LYS 39 - H ALA 53 poor 10 96 - 10 - 209/4.6=2, 2295/3.0=2 HB3 ARG 69 - H ALA 53 lone 4 100 - 4 - HG3 ARG 69 - H ALA 53 lone 4 90 - 4 - HG3 LYS 75 - H ALA 53 lone 4 100 - 4 - HG2 LYS 75 - H ALA 53 lone 4 100 - 4 - QB ALA 78 - H ALA 53 lone 2 100 - 2 - HG2 LYS 85 - H ALA 53 lone 2 92 - 2 - QB ALA 77 - H ALA 53 lone 1 89 - 1 - QB ALA 20 - H ALA 53 lone 1 92 - 1 - HG2 LYS 83 - H ALA 53 lone 1 73 - 1 - Peak 674 from nnoeabs.peaks (7.53, 7.53, 116.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 54 + H ARG 54 OK 100 100 - 100 Peak 675 from nnoeabs.peaks (4.01, 7.53, 116.98 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 54 + H ARG 54 OK 100 100 - 100 - 3.0=100 HB2 SER 22 - H ARG 54 OK 24 100 - 24 - 1.8/4567=5, 2316/4.1=4...(7) HA PHE 48 - H ARG 54 OK 19 81 - 24 - 4453=3, 3.6/4490=3...(9) HA ARG 70 - H ARG 54 lone 8 99 - 8 - 2316/4.1=1, 2308/4.1=1 Peak 676 from nnoeabs.peaks (1.76, 7.53, 116.98 ppm; 3.17 A): 9 out of 17 assignments used, quality = 0.94: * HB2 ARG 54 + H ARG 54 OK 76 100 - 76 - 4.1=47, 1.8/677=14...(15) HB3 LYS 39 + H ARG 54 OK 25 89 - 28 - 2.9/209=4, 3.0/6081=4...(11) HG2 PRO 34 + H ARG 54 OK 17 99 - 17 - 4246/5703=5, 4859/4965=3...(6) HB2 LEU 62 + H ARG 54 OK 16 85 - 19 - 1.8/679=2, 3.0/4567=2...(7) HB3 LYS 32 + H ARG 54 OK 15 99 - 15 - 2301/3.0=2, 2317/4.1=2...(6) HB2 LYS 32 + H ARG 54 OK 15 99 - 15 - 2301/3.0=2, 2317/4.1=2...(6) HB ILE 33 + H ARG 54 OK 11 100 - 11 - 3.0/4567=2, 2301/3.0=1 HB2 PRO 34 + H ARG 54 OK 11 93 - 11 - 4247/5703=2, 2307=2, 2301/3.0=1 HB2 LEU 57 + H ARG 54 OK 11 100 - 11 - 212/4.6=2, 4982/4.1=2...(5) HB3 LYS 73 - H ARG 54 lone 9 96 - 10 - 3.0/208=2, 2.9/209=2, ~5061=1 HB3 ARG 82 - H ARG 54 lone 7 100 - 7 - 3.0/208=1 HB3 LYS 75 - H ARG 54 lone 5 78 - 7 - 2.7/209=1, 2.7/209=1 HB2 LYS 13 - H ARG 54 lone 2 73 - 3 - HB2 LYS 83 - H ARG 54 lone 1 90 - 1 - HB3 ARG 17 - H ARG 54 lone 1 78 - 2 - HG3 ARG 71 - H ARG 54 lone 1 93 - 1 - HG3 ARG 26 - H ARG 54 lone 1 89 - 1 - Peak 677 from nnoeabs.peaks (1.55, 7.53, 116.98 ppm; 3.27 A): 4 out of 8 assignments used, quality = 0.93: * HB3 ARG 54 + H ARG 54 OK 79 100 - 79 - 4.1=52, 1.8/2307=14...(16) HG3 ARG 54 + H ARG 54 OK 45 63 - 72 - 4.9=29, 1.8/2323=11...(16) HG2 LYS 39 + H ARG 54 OK 30 100 - 31 - 1.8/209=6, 2302/3.0=4...(12) HG LEU 62 + H ARG 54 OK 15 87 - 18 - 2302/3.0=2, 3.0/676=2...(8) HG LEU 64 - H ARG 54 lone 7 99 - 7 - HB3 LEU 86 - H ARG 54 lone 5 92 - 6 - HG2 ARG 82 - H ARG 54 lone 4 83 - 5 - HG3 ARG 23 - H ARG 54 lone 3 99 - 2 - Peak 678 from nnoeabs.peaks (1.31, 7.53, 116.98 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.97: * HG2 ARG 54 + H ARG 54 OK 91 100 - 91 - 4.9=52, 2324/3.0=19...(20) HB2 LEU 51 + H ARG 54 OK 70 92 - 77 - 3.0/4567=14, 1.8/2223=13...(22) HB2 LEU 52 - H ARG 54 OK 38 60 - 63 - 3.0/4966=20, 4.6/207=17...(16) HG3 LYS 32 - H ARG 54 OK 20 78 - 25 - 2319/4.1=3, 2303/3.0=3...(11) HG2 LYS 32 - H ARG 54 OK 16 76 - 21 - 2319/4.1=3, 2303/3.0=3...(10) QG2 THR 58 - H ARG 54 OK 13 99 - 13 - 4623/4.6=4, 2303/3.0=1...(5) QB ALA 12 - H ARG 54 lone 2 68 - 3 - Peak 679 from nnoeabs.peaks (1.58, 7.53, 116.98 ppm; 3.24 A): 3 out of 13 assignments used, quality = 0.92: * HG3 ARG 54 + H ARG 54 OK 73 100 - 73 - 4.9=29, 1.8/2323=11...(16) HB3 ARG 54 + H ARG 54 OK 48 63 - 77 - 4.1=50, 1.8/2307=14...(14) HB3 LEU 51 + H ARG 54 OK 41 76 - 55 - 2223=10, 3.0/4567=10...(16) HD3 LYS 39 - H ARG 54 OK 21 99 - 21 - 3.0/209=4, 5.0/6081=3...(9) HD2 LYS 39 - H ARG 54 OK 20 99 - 21 - 3.0/209=4, 5.0/6081=3...(9) HB3 LEU 62 - H ARG 54 OK 18 96 - 19 - 1.8/676=3, 3.0/4567=2...(8) HG LEU 62 - H ARG 54 OK 17 97 - 18 - 2331=2, 2332/3.0=2...(7) HG2 LYS 39 - H ARG 54 OK 15 63 - 24 - 1.8/209=6, 4.1/6081=3...(6) HB3 LEU 29 - H ARG 54 lone 6 100 - 6 - 3.0/208=1 HG LEU 86 - H ARG 54 lone 4 78 - 6 - HG3 ARG 84 - H ARG 54 lone 4 89 - 5 - HG2 ARG 84 - H ARG 54 lone 4 89 - 5 - HB3 LEU 86 - H ARG 54 lone 4 95 - 4 - Peak 680 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.99: * HD2 ARG 54 + H ARG 54 OK 89 100 - 89 - 6.4=37, 3.6/2315=17...(20) HD3 ARG 54 + H ARG 54 OK 89 100 - 89 - 6.4=37, 3.6/2315=17...(20) HB2 TYR 81 - H ARG 54 OK 30 100 - 30 - 2306/3.0=6, 2322/4.1=6...(9) Peak 681 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.99: HD2 ARG 54 + H ARG 54 OK 89 100 - 89 - 6.4=37, 3.6/2315=17...(20) * HD3 ARG 54 + H ARG 54 OK 89 100 - 89 - 6.4=37, 3.6/2315=17...(20) HB2 TYR 81 - H ARG 54 OK 30 100 - 30 - 2306/3.0=6, 2322/4.1=6...(9) Peak 682 from nnoeabs.peaks (7.69, 7.69, 117.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + H TYR 55 OK 100 100 - 100 Peak 683 from nnoeabs.peaks (4.90, 7.69, 117.85 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + H TYR 55 OK 100 100 - 100 - 3.0=100 Peak 684 from nnoeabs.peaks (2.80, 7.69, 117.85 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.88: * HB2 TYR 55 + H TYR 55 OK 86 100 - 86 - 3.8=62, 2.5/687=28...(13) HB2 ASN 74 + H TYR 55 OK 15 97 - 16 - 2357/3.0=3, 2369/3.8=3...(6) HB3 ASN 74 - H TYR 55 poor 10 83 - 12 - 2357/3.0=2, 2369/3.8=2...(4) Peak 685 from nnoeabs.peaks (2.94, 7.69, 117.85 ppm; 3.56 A): 1 out of 10 assignments used, quality = 0.95: * HB3 TYR 55 + H TYR 55 OK 95 100 - 95 - 3.8=81, 2.5/687=33...(12) HB3 PHE 35 - H TYR 55 OK 16 60 - 26 - 4.5/4974=6, 2364/3.8=5...(7) HE2 LYS 32 - H TYR 55 OK 13 93 - 14 - 2358/3.0=2, 2376/4.4=2...(7) HE3 LYS 32 - H TYR 55 OK 13 92 - 14 - 2358/3.0=2, 2376/4.4=2...(7) HE3 LYS 73 - H TYR 55 lone 8 95 - 8 - 3.7/5732=2, 2358/3.0=1 HE2 LYS 73 - H TYR 55 lone 8 93 - 8 - 3.7/5732=2 HE3 LYS 75 - H TYR 55 lone 5 81 - 7 - 3.5/5732=1, 3.5/5732=1 HE2 LYS 75 - H TYR 55 lone 5 78 - 6 - 3.5/5732=1, 3.5/5732=1 HE3 LYS 13 - H TYR 55 lone 2 65 - 2 - HE2 LYS 13 - H TYR 55 lone 1 63 - 2 - Peak 687 from nnoeabs.peaks (7.34, 7.69, 117.85 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.92: * QD TYR 55 + H TYR 55 OK 92 100 - 92 - 4.4=46, 4555/3.0=27...(19) Peak 688 from nnoeabs.peaks (8.15, 8.15, 124.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H LEU 57 OK 100 100 - 100 Peak 689 from nnoeabs.peaks (4.76, 8.15, 124.80 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + H LEU 57 OK 100 100 - 100 - 3.0=100 HB THR 58 - H LEU 57 OK 40 100 - 40 - 4.1/928=15, 2436/3.8=7...(8) Peak 690 from nnoeabs.peaks (1.77, 8.15, 124.80 ppm; 3.19 A): 5 out of 17 assignments used, quality = 0.92: * HB2 LEU 57 + H LEU 57 OK 83 100 - 83 - 3.8=60, 3.0/692=16...(8) HB ILE 33 + H LEU 57 OK 24 100 - 24 - 3.2/693=7, 1657/4.7=6...(8) HB2 LEU 62 + H LEU 57 OK 15 83 - 18 - 3.1/4597=5, 3.0/5747=4...(8) HG2 PRO 34 + H LEU 57 OK 14 99 - 15 - 4860/4.7=5, 2444/3.8=2...(6) HB3 LYS 73 + H LEU 57 OK 11 97 - 11 - 2.9/691=2, 4.0/944=1...(5) HB2 ARG 54 - H LEU 57 lone 8 100 - 8 - 1.8/5747=2, 3.0/5747=1 HB2 PRO 34 - H LEU 57 lone 8 95 - 8 - 2444/3.8=2, 2458/4.7=2...(4) HB2 LYS 32 - H LEU 57 lone 5 99 - 5 - HB3 LYS 32 - H LEU 57 lone 5 99 - 5 - HB3 LYS 39 - H LEU 57 lone 5 90 - 5 - 2.9/5747=1 HB2 LYS 13 - H LEU 57 lone 4 76 - 5 - 3.0/691=1 HB3 LYS 75 - H LEU 57 lone 2 81 - 3 - HG3 ARG 26 - H LEU 57 lone 2 87 - 2 - HB3 ARG 82 - H LEU 57 lone 1 100 - 1 - HG3 ARG 71 - H LEU 57 lone 1 92 - 1 - HB2 LYS 83 - H LEU 57 lone 1 92 - 1 - HB3 ARG 17 - H LEU 57 lone 1 76 - 1 - Peak 691 from nnoeabs.peaks (1.47, 8.15, 124.80 ppm; 3.66 A): 1 out of 9 assignments used, quality = 0.97: * HB3 LEU 57 + H LEU 57 OK 97 100 - 97 - 3.8=90, 3.0/692=21...(9) HB3 LEU 52 - H LEU 57 OK 27 100 - 27 - 6098/4.7=8, 2438/3.8=6...(6) HG12 ILE 33 - H LEU 57 OK 24 73 - 33 - 2.1/693=12, 2438/3.8=5...(9) HG2 LYS 73 - H LEU 57 OK 16 97 - 16 - 2.9/690=2, 3.7/5745=2...(8) HG3 LYS 13 - H LEU 57 lone 9 96 - 9 - 2431/3.0=1, 2438/3.8=1...(4) QB ALA 63 - H LEU 57 lone 7 87 - 8 - 2438/3.8=1, 2431/3.0=1...(5) QB ALA 30 - H LEU 57 lone 5 76 - 7 - 228/4.6=1 HG13 ILE 89 - H LEU 57 lone 4 60 - 6 - HG3 LYS 85 - H LEU 57 lone 3 92 - 3 - Peak 692 from nnoeabs.peaks (1.95, 8.15, 124.80 ppm; 3.07 A): 3 out of 8 assignments used, quality = 0.72: * HG LEU 57 + H LEU 57 OK 64 100 - 64 - 5.2=21, 2.1/694=17...(9) HB2 MET 31 + H LEU 57 OK 13 85 - 15 - 6120/4.7=4, 2439/3.8=3...(5) HB2 LEU 64 + H LEU 57 OK 11 89 - 12 - 5025/4.7=4, 2446/3.8=2...(5) HB2 ARG 70 - H LEU 57 lone 4 100 - 4 - HB3 ARG 70 - H LEU 57 lone 4 100 - 4 - HB3 ARG 66 - H LEU 57 lone 3 95 - 3 - HB VAL 41 - H LEU 57 lone 3 71 - 4 - HB2 GLN 79 - H LEU 57 lone 2 96 - 2 - Peak 693 from nnoeabs.peaks (0.71, 8.15, 124.80 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 57 + H LEU 57 OK 89 100 - 89 - 4.7=50, 2.1/692=26...(11) QD1 ILE 33 + H LEU 57 OK 47 100 - 47 - 4221/4.7=12, 2440/3.8=10...(10) Peak 694 from nnoeabs.peaks (1.00, 8.15, 124.80 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.90: * QD1 LEU 57 + H LEU 57 OK 85 100 - 85 - 4.7=50, 2.1/692=26...(10) QG1 VAL 45 + H LEU 57 OK 31 97 - 32 - 2448/3.8=7, 2441/3.8=7...(8) Peak 695 from nnoeabs.peaks (9.06, 9.06, 113.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + H THR 58 OK 100 100 - 100 Peak 696 from nnoeabs.peaks (4.43, 9.06, 113.20 ppm; 4.00 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 58 + H THR 58 OK 100 100 - 100 - 3.0=100 HA MET 31 + H THR 58 OK 47 96 - 50 - 4.2/4625=10, 4.2/5090=9...(15) HA SER 22 - H THR 58 lone 5 92 - 5 - HA PRO 14 - H THR 58 lone 2 78 - 3 - HA TYR 81 - H THR 58 lone 1 65 - 1 - Peak 697 from nnoeabs.peaks (4.76, 9.06, 113.20 ppm; 3.08 A): 2 out of 2 assignments used, quality = 0.95: HA LEU 57 + H THR 58 OK 80 100 - 80 - 3.6=64, 3.0/928=14...(9) * HB THR 58 + H THR 58 OK 75 100 - 75 - 4.1=44, 2.1/2478=29...(12) Peak 698 from nnoeabs.peaks (1.31, 9.06, 113.20 ppm; 3.25 A): 3 out of 8 assignments used, quality = 0.83: * QG2 THR 58 + H THR 58 OK 78 100 - 78 - 4.0=55, 2473/3.0=19...(10) HG2 ARG 54 + H THR 58 OK 12 99 - 12 - 4.8/4620=3, 2473/3.0=1...(4) HB2 LEU 52 + H THR 58 OK 12 76 - 15 - 1.8/228=4, 2261/4.2=3...(5) HG3 LYS 32 - H THR 58 poor 10 90 - 11 - 2473/3.0=2 HB2 LEU 51 - H THR 58 lone 9 98 - 10 - 5750/4.8=1, 2473/3.0=1 QB ALA 28 - H THR 58 poor 8 68 - 12 - 4178/4.8=3, 2.1/5754=2...(5) HG2 LYS 32 - H THR 58 lone 4 60 - 7 - QB ALA 12 - H THR 58 lone 1 83 - 1 - Peak 699 from nnoeabs.peaks (9.11, 9.11, 120.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + H GLU 59 OK 100 100 - 100 Peak 700 from nnoeabs.peaks (4.04, 9.11, 120.45 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 59 + H GLU 59 OK 100 100 - 100 - 2.9=100 HD2 PRO 44 - H GLU 59 OK 24 99 - 25 - 2495/4.0=3, 2495/4.0=3...(14) HA ALA 63 - H GLU 59 OK 11 89 - 12 - ~6099=4, 237/4.7=3...(4) HA PHE 48 - H GLU 59 lone 5 90 - 6 - HA ARG 26 - H GLU 59 lone 1 73 - 2 - Peak 701 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 2 out of 9 assignments used, quality = 0.93: HB3 GLU 59 + H GLU 59 OK 74 100 - 74 - 4.0=45, 3.0/703=16...(11) * HB2 GLU 59 + H GLU 59 OK 74 100 - 74 - 4.0=45, 3.0/703=16...(11) HB3 PRO 44 - H GLU 59 OK 15 100 - 15 - 3.0/700=4, 2484/2.9=2...(7) HB3 MET 31 - H GLU 59 OK 11 81 - 14 - 3.0/233=4, 1537/3.6=4...(5) HG2 PRO 36 - H GLU 59 lone 4 100 - 3 - HG3 PRO 36 - H GLU 59 lone 4 100 - 3 - HB2 PRO 56 - H GLU 59 lone 2 100 - 2 - HG3 PRO 56 - H GLU 59 lone 2 100 - 2 - HB VAL 45 - H GLU 59 lone 1 68 - 1 - Peak 702 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 2 out of 9 assignments used, quality = 0.93: * HB3 GLU 59 + H GLU 59 OK 74 100 - 74 - 4.0=45, 3.0/703=16...(11) HB2 GLU 59 + H GLU 59 OK 74 100 - 74 - 4.0=45, 3.0/703=16...(11) HB3 PRO 44 - H GLU 59 OK 15 100 - 15 - 3.0/700=4, 2484/2.9=2...(7) HB3 MET 31 - H GLU 59 OK 11 81 - 14 - 3.0/233=4, 1537/3.6=4...(5) HG2 PRO 36 - H GLU 59 lone 4 100 - 3 - HG3 PRO 36 - H GLU 59 lone 4 100 - 3 - HB2 PRO 56 - H GLU 59 lone 2 100 - 2 - HG3 PRO 56 - H GLU 59 lone 2 100 - 2 - HB VAL 45 - H GLU 59 lone 1 68 - 1 - Peak 703 from nnoeabs.peaks (2.40, 9.11, 120.45 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.86: * HG2 GLU 59 + H GLU 59 OK 86 100 - 86 - 4.9=50, 1.8/704=30...(7) HB VAL 65 - H GLU 59 lone 6 97 - 6 - 2486/2.9=3 HG3 MET 11 - H GLU 59 lone 3 99 - 3 - 2486/2.9=1 HG2 GLU 50 - H GLU 59 lone 3 63 - 5 - 2500=1 Peak 704 from nnoeabs.peaks (2.32, 9.11, 120.45 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.87: * HG3 GLU 59 + H GLU 59 OK 87 100 - 87 - 4.9=52, 1.8/703=34...(7) HG3 GLU 25 - H GLU 59 lone 7 78 - 9 - 2506=3, 2487/2.9=2 HG3 GLN 79 - H GLU 59 lone 6 100 - 6 - 2487/2.9=2, ~2487=1 HG2 GLN 79 - H GLU 59 lone 6 100 - 6 - 2487/2.9=2, ~2487=1 Peak 705 from nnoeabs.peaks (8.51, 8.51, 114.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + H SER 60 OK 100 100 - 100 Peak 706 from nnoeabs.peaks (4.28, 8.51, 114.41 ppm; 4.29 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 - 100 - 3.0=100 HA LEU 64 - H SER 60 poor 9 87 - 11 - 243/4.6=4, ~728=2...(4) HA ASP 38 - H SER 60 lone 4 100 - 4 - 243/4.6=2 HA ARG 17 - H SER 60 lone 3 100 - 3 - HA THR 88 - H SER 60 lone 2 100 - 2 - HA ALA 12 - H SER 60 lone 2 83 - 3 - HA ALA 20 - H SER 60 lone 2 89 - 2 - HA LEU 86 - H SER 60 lone 2 73 - 2 - HA GLU 19 - H SER 60 lone 1 81 - 2 - HA LYS 39 - H SER 60 lone 1 63 - 2 - Peak 707 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 60 + H SER 60 OK 100 100 - 100 - 3.8=100 * HB2 SER 60 + H SER 60 OK 100 100 - 100 - 3.8=100 HD2 PRO 36 - H SER 60 lone 4 57 - 7 - 2.3/239=2, 2.3/238=2, ~4997=1 Peak 708 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 60 + H SER 60 OK 100 100 - 100 - 3.8=100 HB2 SER 60 + H SER 60 OK 100 100 - 100 - 3.8=100 HD2 PRO 36 - H SER 60 lone 4 57 - 7 - 2.3/239=2, 2.3/238=2, ~4997=1 Peak 709 from nnoeabs.peaks (7.68, 7.68, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 61 + H GLN 61 OK 100 100 - 100 Peak 710 from nnoeabs.peaks (3.96, 7.68, 122.99 ppm; 3.76 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 61 + H GLN 61 OK 100 100 - 100 - 3.0=100 HA GLU 50 - H GLN 61 OK 27 100 - 27 - 2524=6, 2526/4.0=3...(10) HA ALA 28 - H GLN 61 OK 25 99 - 26 - 4182=3, 2541/4.0=2...(10) HA LYS 32 - H GLN 61 OK 23 96 - 24 - 3.6/5544=3, 3.0/89=3...(11) HA THR 37 - H GLN 61 OK 13 60 - 22 - 3.0/932=8, 1808/4.6=4...(6) HA2 GLY 21 - H GLN 61 OK 13 95 - 14 - 5285/5.0=3, 2541/4.0=2...(5) HA3 GLY 21 - H GLN 61 OK 13 93 - 14 - 5285/5.0=3, 2541/4.0=2...(5) HA VAL 76 - H GLN 61 OK 12 100 - 12 - 3.0/5759=1, 2541/4.0=1...(4) HA ARG 66 - H GLN 61 OK 11 96 - 11 - 247/4.6=1, ~740=1 HA2 GLY 72 - H GLN 61 lone 9 100 - 9 - 3.6/5759=2, 3.0/5759=2 Peak 711 from nnoeabs.peaks (2.53, 7.68, 122.99 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.96: * HB2 GLN 61 + H GLN 61 OK 89 100 - 89 - 4.0=71, 3.0/714=17...(12) HG3 MET 31 + H GLN 61 OK 63 100 - 64 - 1.8/713=10, 3.3/5083=8...(26) HB2 ASP 24 - H GLN 61 poor 7 63 - 11 - 1.8/713=3, 2542/4.0=1...(5) HB3 ASP 46 - H GLN 61 lone 5 81 - 6 - Peak 712 from nnoeabs.peaks (1.66, 7.68, 122.99 ppm; 3.92 A): 1 out of 10 assignments used, quality = 0.99: * HB3 GLN 61 + H GLN 61 OK 99 100 - 99 - 4.0=97, 1.8/711=23...(12) HG LEU 29 - H GLN 61 OK 19 92 - 21 - 249/4.6=4, 3.0/5778=3...(7) HD3 LYS 13 - H GLN 61 OK 15 99 - 15 - 2535/4.0=2, 2527/3.0=2...(8) HD2 LYS 13 - H GLN 61 OK 15 99 - 15 - 2535/4.0=2, 2527/3.0=2...(8) HD2 LYS 75 - H GLN 61 OK 14 100 - 14 - 2527/3.0=2, 2535/4.0=2...(5) HD3 LYS 75 - H GLN 61 OK 14 100 - 14 - 2527/3.0=2, 2535/4.0=2...(5) HG2 ARG 23 - H GLN 61 lone 8 97 - 8 - 4.9/242=1 HB3 LYS 13 - H GLN 61 lone 6 78 - 7 - HG3 ARG 27 - H GLN 61 lone 2 65 - 3 - 3.8/5518=1 HG2 ARG 27 - H GLN 61 lone 2 63 - 3 - 3.8/5518=1 Peak 713 from nnoeabs.peaks (2.60, 7.68, 122.99 ppm; 3.58 A): 3 out of 6 assignments used, quality = 0.89: * HG2 GLN 61 + H GLN 61 OK 77 100 - 77 - 5.0=36, 1.8/714=23...(15) HG2 MET 31 + H GLN 61 OK 45 73 - 61 - 1.8/711=14, 3.3/5083=9...(25) HB3 ASP 24 + H GLN 61 OK 12 95 - 13 - 2544/4.0=2, 2536/4.0=2...(6) HB3 ASP 47 - H GLN 61 lone 9 97 - 9 - 2536/4.0=1, 2544/4.0=1...(4) HB2 ASP 38 - H GLN 61 lone 8 83 - 10 - 3.0/243=2, 250/4.6=1, 2528/3.0=1 HB3 ASP 38 - H GLN 61 lone 8 81 - 10 - 3.0/243=2, 250/4.6=1, 2528/3.0=1 Peak 714 from nnoeabs.peaks (2.16, 7.68, 122.99 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.89: * HG3 GLN 61 + H GLN 61 OK 85 100 - 85 - 5.0=51, 1.8/713=21...(15) HG3 PRO 44 + H GLN 61 OK 29 81 - 36 - 2545/4.0=8, 2537/4.0=8...(9) Peak 717 from nnoeabs.peaks (8.82, 8.82, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H LEU 62 OK 100 100 - 100 Peak 718 from nnoeabs.peaks (3.92, 8.82, 120.20 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + H LEU 62 OK 100 100 - 100 - 3.0=100 HA THR 37 - H LEU 62 OK 43 96 - 45 - 1808=10, 3.2/1816=6...(14) HA2 GLY 18 - H LEU 62 OK 11 100 - 11 - 2572/4.0=2, 2593/4.8=1...(4) HA3 GLY 18 - H LEU 62 OK 11 100 - 11 - 2572/4.0=2, 2593/4.8=1...(4) HA3 GLY 21 - H LEU 62 lone 4 65 - 6 - ~4674=1 HA2 GLY 21 - H LEU 62 lone 4 63 - 6 - ~4674=1 Peak 719 from nnoeabs.peaks (1.75, 8.82, 120.20 ppm; 3.14 A): 4 out of 15 assignments used, quality = 0.91: * HB2 LEU 62 + H LEU 62 OK 76 100 - 76 - 4.0=49, 1.8/2578=11...(15) HB2 LEU 57 + H LEU 62 OK 46 83 - 56 - 4.2/5368=11, 1.8/5235=9...(17) HB2 ARG 54 + H LEU 62 OK 17 85 - 20 - 4.6/246=3, 1.8/721=2...(8) HB ILE 33 + H LEU 62 OK 15 78 - 19 - 3.2/4673=6, ~6070=2...(7) HB2 LEU 43 - H LEU 62 poor 9 78 - 11 - 3.1/722=2, 2566/3.0=1 HG3 ARG 71 - H LEU 62 lone 6 100 - 6 - 3.8/4676=1, 256/4.6=1 HG3 ARG 26 - H LEU 62 lone 6 100 - 6 - 3.7/4676=2 HG2 PRO 34 - H LEU 62 lone 6 95 - 6 - HB3 ARG 17 - H LEU 62 lone 4 100 - 4 - HB3 LYS 32 - H LEU 62 lone 3 65 - 5 - HB2 LYS 32 - H LEU 62 lone 3 65 - 5 - HB2 ARG 84 - H LEU 62 lone 3 83 - 4 - HB3 ARG 82 - H LEU 62 lone 1 85 - 2 - HB3 LYS 85 - H LEU 62 lone 1 73 - 1 - HB3 LYS 83 - H LEU 62 lone 1 60 - 1 - Peak 720 from nnoeabs.peaks (1.59, 8.82, 120.20 ppm; 3.20 A): 3 out of 17 assignments used, quality = 0.93: * HB3 LEU 62 + H LEU 62 OK 80 100 - 80 - 4.0=52, 1.8/2571=20...(15) HG LEU 62 + H LEU 62 OK 52 78 - 66 - 5.0=27, 3.0/2571=15...(13) HB3 LEU 29 + H LEU 62 OK 31 99 - 32 - 2578=6, 3.0/249=5...(12) HG LEU 86 - H LEU 62 OK 20 97 - 21 - 2.1/723=4, 2567/3.0=2...(8) HG3 ARG 54 - H LEU 62 OK 17 96 - 18 - 4.8/246=3, 2585=3...(7) HB3 LEU 51 - H LEU 62 OK 14 97 - 15 - 4.6/5776=4, 5221/4.8=2...(6) HB3 LEU 86 - H LEU 62 OK 14 71 - 19 - 3.1/723=3, 2578=2...(7) HB2 LEU 86 - H LEU 62 OK 13 68 - 20 - 3.1/723=3, 2578=2...(8) HG3 ARG 84 - H LEU 62 lone 5 100 - 5 - HG2 ARG 84 - H LEU 62 lone 5 100 - 5 - HD2 LYS 39 - H LEU 62 lone 4 100 - 4 - HD3 LYS 39 - H LEU 62 lone 4 99 - 4 - HD2 LYS 73 - H LEU 62 lone 3 78 - 4 - 2.9/5235=1 HD3 LYS 73 - H LEU 62 lone 3 78 - 4 - 2.9/5235=1 HG3 ARG 70 - H LEU 62 lone 3 73 - 4 - HD2 LYS 32 - H LEU 62 lone 3 78 - 4 - HD3 LYS 32 - H LEU 62 lone 3 73 - 3 - Peak 721 from nnoeabs.peaks (1.57, 8.82, 120.20 ppm; 3.10 A): 7 out of 13 assignments used, quality = 0.95: * HG LEU 62 + H LEU 62 OK 64 100 - 64 - 5.0=24, 3.0/2571=14...(13) HB3 LEU 62 + H LEU 62 OK 59 78 - 76 - 4.0=47, 1.8/2571=18...(15) HB3 LEU 29 + H LEU 62 OK 26 93 - 29 - 3.0/249=4, 3.1/723=4...(11) HB3 LEU 86 + H LEU 62 OK 19 100 - 19 - 3.1/723=3, 2568/3.0=2...(8) HG3 ARG 54 + H LEU 62 OK 18 97 - 19 - 2585=3, 4.8/246=3...(7) HB3 ARG 54 + H LEU 62 OK 17 87 - 19 - 1.8/719=3, 4.6/246=3...(7) HG LEU 64 + H LEU 62 OK 13 68 - 20 - 4.8/5776=5, 4.3/5775=2...(6) HG2 LYS 39 - H LEU 62 lone 6 87 - 6 - HD3 LYS 39 - H LEU 62 lone 4 90 - 4 - HD2 LYS 39 - H LEU 62 lone 4 89 - 4 - HG3 ARG 84 - H LEU 62 lone 3 65 - 4 - HG2 ARG 84 - H LEU 62 lone 3 65 - 4 - HG3 ARG 23 - H LEU 62 lone 2 71 - 3 - Peak 722 from nnoeabs.peaks (0.93, 8.82, 120.20 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.96: * QD2 LEU 62 + H LEU 62 OK 94 100 - 94 - 4.8=68, 3.1/2571=23...(18) QG2 ILE 40 + H LEU 62 OK 31 100 - 31 - 4310/3.0=6, 2576/4.0=3...(13) QD1 LEU 64 - H LEU 62 OK 27 71 - 38 - 4.4/5776=12, 3.9/5775=5...(11) QD2 LEU 43 - H LEU 62 OK 25 92 - 27 - 2569/3.0=4, 2576/4.0=4...(11) HG12 ILE 68 - H LEU 62 OK 20 98 - 20 - 2569/3.0=3, 259/4.6=2...(7) QG2 VAL 41 - H LEU 62 OK 18 100 - 18 - 2569/3.0=2, 259/4.6=2...(4) QG2 VAL 76 - H LEU 62 OK 13 98 - 13 - 3.2/247=2, 2569/3.0=2...(5) QG1 VAL 76 - H LEU 62 OK 13 98 - 13 - 3.2/247=2, 2569/3.0=2...(5) Peak 723 from nnoeabs.peaks (0.87, 8.82, 120.20 ppm; 4.16 A): 2 out of 6 assignments used, quality = 0.97: * QD1 LEU 62 + H LEU 62 OK 93 100 - 93 - 4.8=66, 3.1/2571=23...(15) QD1 LEU 29 + H LEU 62 OK 53 99 - 53 - 2599=10, 2.1/249=9...(15) QD1 LEU 86 - H LEU 62 OK 37 93 - 40 - 2599=7, 2570/3.0=6...(14) HG LEU 51 - H LEU 62 OK 18 87 - 20 - 2577/4.0=3, 2570/3.0=3...(9) QG2 VAL 90 - H LEU 62 lone 5 71 - 7 - 3.2/4676=1 QG1 VAL 90 - H LEU 62 lone 5 68 - 7 - 3.2/4676=1 Peak 724 from nnoeabs.peaks (7.98, 7.98, 119.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 63 + H ALA 63 OK 100 100 - 100 Peak 725 from nnoeabs.peaks (4.06, 7.98, 119.93 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 63 + H ALA 63 OK 100 100 - 100 - 3.0=100 HA GLU 59 - H ALA 63 OK 28 89 - 31 - 4645/4.6=8, 4637/4.6=6...(7) HA ARG 71 - H ALA 63 OK 17 93 - 18 - 2.9/942=2, 2610/2.9=2...(6) HA ARG 26 - H ALA 63 OK 15 99 - 15 - 4677/3.6=2, 2610/2.9=1...(7) HA VAL 90 - H ALA 63 lone 8 93 - 8 - 2610/2.9=1 HD2 PRO 44 - H ALA 63 lone 6 73 - 8 - 4678/4.6=1, 4677/3.6=1 HA GLU 25 - H ALA 63 lone 2 65 - 3 - Peak 726 from nnoeabs.peaks (1.49, 7.98, 119.93 ppm; 2.74 A): 3 out of 4 assignments used, quality = 0.89: * QB ALA 63 + H ALA 63 OK 86 100 - 86 - 2.9=82, 3.6/934=10...(5) HB3 LEU 57 + H ALA 63 OK 15 87 - 17 - 5235/4.6=3, 1.8/256=3...(5) HB3 LEU 52 + H ALA 63 OK 14 95 - 15 - 3.9/934=3, 2265/4.7=3...(5) HG2 LYS 73 - H ALA 63 lone 6 99 - 6 - Peak 727 from nnoeabs.peaks (7.42, 7.42, 119.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 728 from nnoeabs.peaks (4.26, 7.42, 119.17 ppm; 3.58 A): 1 out of 13 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 - 100 - 3.0=100 HA LYS 39 - H LEU 64 OK 36 97 - 38 - 1832=5, 2648/4.4=4...(16) HA SER 60 - H LEU 64 OK 26 87 - 30 - 4995/3.6=14, 4647/4.7=8...(4) HA ARG 17 - H LEU 64 OK 19 87 - 22 - 3.0/935=4, 3.6/935=2...(10) HA ALA 20 - H LEU 64 OK 17 100 - 17 - 3.6/935=5, ~6135=2...(6) HA ASP 38 - H LEU 64 OK 16 85 - 19 - 3.0/913=2, 3802=2...(8) HA LYS 75 - H LEU 64 OK 11 90 - 12 - 3.6/261=2, 4.7/4687=1...(4) HA THR 15 - H LEU 64 lone 9 93 - 9 - 2620/4.0=1 HA GLU 19 - H LEU 64 lone 6 100 - 6 - HA LYS 83 - H LEU 64 lone 5 89 - 6 - HA ALA 12 - H LEU 64 lone 4 100 - 4 - HA THR 88 - H LEU 64 lone 2 83 - 3 - HA ALA 77 - H LEU 64 lone 2 65 - 3 - Peak 729 from nnoeabs.peaks (1.97, 7.42, 119.17 ppm; 3.30 A): 6 out of 10 assignments used, quality = 0.95: * HB2 LEU 64 + H LEU 64 OK 81 100 - 81 - 4.0=56, 1.8/2626=19...(11) HG LEU 43 + H LEU 64 OK 33 89 - 37 - 2.1/733=5, 2.1/732=5...(13) QE MET 31 + H LEU 64 OK 33 87 - 38 - 5082=13, 5081/3.0=6...(11) HG LEU 57 + H LEU 64 OK 15 89 - 17 - 3.0/263=3, 2614/3.0=2...(8) HB2 ARG 70 + H LEU 64 OK 15 89 - 16 - 2.9/730=2, 2614/3.0=2...(7) HB3 ARG 70 + H LEU 64 OK 15 89 - 16 - 2.9/730=2, 2614/3.0=2...(7) HG3 PRO 14 - H LEU 64 lone 9 95 - 9 - 2614/3.0=1, 266/4.6=1 HG2 PRO 14 - H LEU 64 lone 9 95 - 9 - 2614/3.0=1, 266/4.6=1 HB2 GLN 79 - H LEU 64 lone 4 100 - 4 - HB3 GLN 79 - H LEU 64 lone 2 76 - 3 - Peak 730 from nnoeabs.peaks (1.70, 7.42, 119.17 ppm; 3.41 A): 3 out of 12 assignments used, quality = 0.92: * HB3 LEU 64 + H LEU 64 OK 85 100 - 85 - 4.0=62, 1.8/2619=19...(13) HG3 ARG 66 + H LEU 64 OK 29 100 - 29 - 4.9/5018=10, 5008/3.6=3...(10) HB2 LEU 29 + H LEU 64 OK 27 85 - 32 - 5348/3.6=6, 3.1/732=4...(13) HB2 LEU 43 - H LEU 64 OK 22 65 - 34 - 3.1/733=5, 3.1/732=5...(14) HG LEU 29 - H LEU 64 OK 22 76 - 29 - 2.1/732=5, 5008/3.6=3...(12) HG2 ARG 70 - H LEU 64 OK 18 97 - 18 - 2.9/729=2, 2.9/729=2...(11) HB2 ARG 82 - H LEU 64 OK 13 100 - 13 - 5480/4.8=2, 2615/3.0=2...(6) HG2 ARG 23 - H LEU 64 poor 10 65 - 15 - 1.8/731=3, ~2616=2...(7) HB3 LYS 13 - H LEU 64 lone 5 90 - 5 - HB3 LYS 83 - H LEU 64 lone 3 83 - 3 - HB3 LYS 85 - H LEU 64 lone 2 71 - 2 - HB2 ARG 84 - H LEU 64 lone 1 60 - 2 - Peak 731 from nnoeabs.peaks (1.54, 7.42, 119.17 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.95: * HG LEU 64 + H LEU 64 OK 88 100 - 88 - 4.8=57, 3.0/2626=20...(9) HG2 LYS 39 + H LEU 64 OK 45 99 - 46 - 2616/3.0=6, 1862=6...(14) HG3 ARG 23 + H LEU 64 OK 28 100 - 29 - 2651/4.4=5, 2616/3.0=4...(9) HG LEU 62 - H LEU 64 OK 23 68 - 34 - 5.0/5776=9, 2.1/733=5...(11) HG2 ARG 82 - H LEU 64 OK 18 96 - 19 - 2616/3.0=3, 2630/4.0=2...(8) HB3 ARG 54 - H LEU 64 OK 14 99 - 14 - 2616/3.0=2, 5145/3861=1...(5) HB3 LEU 86 - H LEU 64 OK 13 76 - 17 - 3.1/732=3, 2616/3.0=2...(8) Peak 732 from nnoeabs.peaks (0.84, 7.42, 119.17 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.99: * QD2 LEU 64 + H LEU 64 OK 96 100 - 96 - 4.4=83, 3.1/2626=21...(14) QD1 LEU 43 + H LEU 64 OK 55 92 - 60 - 5357/3.0=10, 2.1/733=9...(16) QD2 LEU 29 + H LEU 64 OK 46 100 - 46 - 4681/3.6=6, 2617/3.0=6...(14) QD2 LEU 86 - H LEU 64 OK 25 96 - 26 - 2617/3.0=3, 2631/4.0=3...(11) QG2 ILE 89 - H LEU 64 OK 17 100 - 16 - 2617/3.0=2, 2631/4.0=2...(6) Peak 733 from nnoeabs.peaks (0.95, 7.42, 119.17 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.99: * QD1 LEU 64 + H LEU 64 OK 98 100 - 98 - 4.4=91, 3.1/2626=22...(14) QD2 LEU 43 + H LEU 64 OK 63 97 - 65 - 2618/3.0=11, 2.1/732=9...(18) QD2 LEU 62 - H LEU 64 OK 36 71 - 51 - 4.8/5776=12, 5005/3.6=6...(18) QG2 VAL 41 - H LEU 64 OK 30 83 - 36 - ~6071=6, 4337/3.0=6...(11) QG2 ILE 40 - H LEU 64 OK 21 71 - 30 - 270/4.6=4, 2618/3.0=3...(11) Peak 734 from nnoeabs.peaks (8.38, 8.38, 117.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + H VAL 65 OK 100 100 - 100 Peak 735 from nnoeabs.peaks (3.63, 8.38, 117.58 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 65 + H VAL 65 OK 100 100 - 100 - 3.0=100 HA ILE 40 - H VAL 65 OK 34 100 - 34 - 2665/4.0=6, 2670/4.0=6...(11) HA ARG 69 - H VAL 65 OK 30 100 - 30 - 2665/4.0=5, 2670/4.0=4...(11) HD3 PRO 14 - H VAL 65 OK 18 93 - 19 - 2.3/266=3, 2.3/266=3...(9) Peak 736 from nnoeabs.peaks (2.39, 8.38, 117.58 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.84: * HB VAL 65 + H VAL 65 OK 78 100 - 78 - 3.8=55, 2.1/2669=20...(8) HG3 MET 11 + H VAL 65 OK 24 100 - 24 - 2659=6, 2656/3.0=6...(6) HG2 GLU 50 - H VAL 65 lone 6 87 - 7 - 3.7/5758=2, 4698/4.6=1 HG2 GLU 59 - H VAL 65 lone 6 97 - 6 - 4.2/5796=1, 2656/3.0=1 Peak 737 from nnoeabs.peaks (1.23, 8.38, 117.58 ppm; 3.08 A): 3 out of 5 assignments used, quality = 0.95: * QG1 VAL 65 + H VAL 65 OK 79 100 - 79 - 4.0=46, 2.1/736=21...(13) QG2 VAL 65 + H VAL 65 OK 64 83 - 78 - 4.0=46, 2.1/736=21...(13) HG13 ILE 40 + H VAL 65 OK 35 100 - 35 - ~5033=8, 2657/3.0=5...(14) HG13 ILE 33 - H VAL 65 OK 20 95 - 21 - 2.1/5795=9, 2657/3.0=3...(6) HG2 ARG 69 - H VAL 65 OK 17 99 - 17 - 2809/3.0=3, 3.9/735=3...(7) Peak 738 from nnoeabs.peaks (1.21, 8.38, 117.58 ppm; 2.90 A): 5 out of 7 assignments used, quality = 0.94: * QG2 VAL 65 + H VAL 65 OK 73 100 - 73 - 4.0=39, 2.1/736=18...(13) QG1 VAL 65 + H VAL 65 OK 59 83 - 72 - 4.0=39, 2.1/736=18...(11) HG13 ILE 40 + H VAL 65 OK 25 85 - 29 - ~5033=7, 2657/3.0=3...(12) HG13 ILE 33 + H VAL 65 OK 19 99 - 19 - 2.1/5795=8, 2658/3.0=2...(6) HG LEU 52 + H VAL 65 OK 12 89 - 14 - 2272/4.6=3, 2658/3.0=3...(4) HG2 ARG 69 - H VAL 65 poor 8 63 - 13 - 3.9/735=2, 2657/3.0=2...(5) QG2 THR 15 - H VAL 65 lone 2 81 - 3 - Peak 739 from nnoeabs.peaks (8.59, 8.59, 117.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + H ARG 66 OK 100 100 - 100 Peak 740 from nnoeabs.peaks (3.98, 8.59, 117.85 ppm; 3.51 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 66 + H ARG 66 OK 100 100 - 100 - 3.0=100 HA ARG 70 - H ARG 66 OK 30 71 - 43 - 2.9/937=6, 3.0/2690=5...(19) HA GLN 61 - H ARG 66 OK 24 96 - 25 - 4.7/4675=11, 5758/4.6=4...(6) HA LYS 32 - H ARG 66 OK 15 100 - 15 - 3.0/937=3, 5244/4.1=2...(6) HA VAL 76 - H ARG 66 OK 15 98 - 15 - 3.0/937=1, 6044/4.0=1...(4) HA ALA 28 - H ARG 66 OK 11 85 - 13 - 4172/4.1=2, 3.6/937=2...(4) HA GLU 50 - H ARG 66 lone 9 95 - 10 - 5758/4.6=2, 3.7/273=1 HA2 GLY 72 - H ARG 66 lone 8 93 - 8 - 5809/5812=1 HA2 GLY 21 - H ARG 66 lone 6 71 - 8 - 2.9/271=4 HA3 GLY 21 - H ARG 66 lone 6 68 - 8 - 2.9/271=4 Peak 741 from nnoeabs.peaks (1.88, 8.59, 117.85 ppm; 3.54 A): 2 out of 16 assignments used, quality = 0.93: * HB2 ARG 66 + H ARG 66 OK 90 100 - 90 - 4.0=70, 2.8/5039=20...(17) HB ILE 68 + H ARG 66 OK 30 81 - 38 - 3.9/5812=15, 4750/3.6=5...(9) HB2 ARG 26 - H ARG 66 OK 27 100 - 27 - 3.0/5036=4, 2682=4...(11) HB3 ARG 26 - H ARG 66 OK 27 100 - 27 - 3.0/5036=4, 2682=4...(11) HB2 MET 11 - H ARG 66 OK 23 98 - 24 - 3.0/273=8, 1.8/743=4...(8) HB3 PRO 14 - H ARG 66 OK 17 97 - 17 - 1113/3.6=3, 3.0/272=2...(7) HG12 ILE 40 - H ARG 66 OK 15 60 - 24 - 4704/3.6=4, 1.8/274=4...(8) HB3 ARG 71 - H ARG 66 OK 13 78 - 17 - 3.0/5036=5, 2676/3.0=2...(6) HB2 ARG 71 - H ARG 66 OK 13 76 - 17 - 3.0/5036=5, 2676/3.0=2...(5) HB3 ARG 27 - H ARG 66 lone 4 78 - 6 - HB2 ARG 27 - H ARG 66 lone 4 76 - 6 - HB2 LYS 39 - H ARG 66 lone 4 81 - 5 - HB3 PRO 34 - H ARG 66 lone 4 100 - 3 - HB3 ARG 23 - H ARG 66 lone 4 63 - 5 - HB2 ARG 23 - H ARG 66 lone 3 60 - 5 - HB2 GLN 91 - H ARG 66 lone 1 81 - 1 - Peak 742 from nnoeabs.peaks (1.94, 8.59, 117.85 ppm; 3.35 A): 3 out of 8 assignments used, quality = 0.96: * HB3 ARG 66 + H ARG 66 OK 85 100 - 85 - 4.0=60, 2.8/5039=17...(16) HB2 ARG 70 + H ARG 66 OK 46 95 - 48 - 2690=6, 1.8/2690=6...(20) HB3 ARG 70 + H ARG 66 OK 46 95 - 48 - 2690=6, 1.8/2690=6...(20) HG13 ILE 68 - H ARG 66 OK 28 87 - 32 - 4.5/5812=11, 1.8/4732=4...(9) HB2 MET 31 - H ARG 66 OK 14 99 - 14 - 3772/4.6=2, 2677/3.0=2...(4) HB VAL 41 - H ARG 66 OK 12 96 - 13 - 2.1/4732=2, 5163/4.1=1 HG LEU 57 - H ARG 66 lone 8 95 - 8 - 5163/4.1=3, 4730/4.1=2 HB2 GLN 79 - H ARG 66 lone 7 71 - 9 - 1.8/5038=3, 6011/3.0=1 Peak 743 from nnoeabs.peaks (2.01, 8.59, 117.85 ppm; 3.39 A): 6 out of 14 assignments used, quality = 0.88: * HG2 ARG 66 + H ARG 66 OK 72 100 - 72 - 4.9=33, 1.8/5039=21...(13) HB3 MET 11 + H ARG 66 OK 20 100 - 20 - 3.0/273=7, 972/4.4=3...(6) HD3 ARG 69 + H ARG 66 OK 19 83 - 23 - 3.0/274=3, 4.6/272=3...(10) HD2 ARG 69 + H ARG 66 OK 19 83 - 23 - 3.0/274=3, 4.6/272=3...(10) QE MET 31 + H ARG 66 OK 12 81 - 14 - 5082/5018=3, 5079/3.0=2...(5) HB3 GLN 79 + H ARG 66 OK 11 90 - 12 - 5038=3, 2678/3.0=1, ~6011=1 HB VAL 90 - H ARG 66 lone 9 99 - 9 - 3.0/5036=2 HG2 PRO 14 - H ARG 66 poor 9 68 - 13 - 2.3/272=2, 2.3/741=2...(4) HG3 PRO 14 - H ARG 66 poor 9 68 - 13 - 2.3/272=2, 2.3/741=2...(4) HG LEU 43 - H ARG 66 lone 6 78 - 8 - HB3 GLU 19 - H ARG 66 lone 1 63 - 2 - HB2 GLU 87 - H ARG 66 lone 1 81 - 2 - HB3 PRO 56 - H ARG 66 lone 1 81 - 1 - HG2 PRO 56 - H ARG 66 lone 1 65 - 1 - Peak 744 from nnoeabs.peaks (1.70, 8.59, 117.85 ppm; 3.88 A): 3 out of 11 assignments used, quality = 0.97: * HG3 ARG 66 + H ARG 66 OK 85 100 - 85 - 4.9=49, 1.8/5038=25...(17) HB3 LEU 64 + H ARG 66 OK 61 100 - 61 - 4.4/936=22, 4.0/5018=16...(14) HG2 ARG 70 + H ARG 66 OK 51 95 - 55 - 2679/3.0=7, 2.9/2690=7...(24) HG LEU 29 - H ARG 66 OK 12 81 - 15 - 5929/4691=2, 267/4.6=2...(6) HB2 LEU 29 - H ARG 66 OK 12 81 - 15 - 5348/4691=2, 4.0/937=2...(5) HB3 LYS 13 - H ARG 66 lone 9 93 - 9 - 4.8/272=2, 4819/3.6=1 HB2 LEU 43 - H ARG 66 poor 7 60 - 12 - 267/4.6=2, 4375/3.6=2...(4) HG2 ARG 23 - H ARG 66 lone 7 71 - 9 - HB2 ARG 82 - H ARG 66 lone 6 100 - 6 - 267/4.6=1 HB3 LYS 83 - H ARG 66 lone 2 78 - 3 - HB3 LYS 85 - H ARG 66 lone 2 65 - 3 - Peak 745 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 4.34 A): 4 out of 13 assignments used, quality = 0.99: HD3 ARG 66 + H ARG 66 OK 85 100 - 85 - 6.2=34, 3.0/5039=29...(17) * HD2 ARG 66 + H ARG 66 OK 85 100 - 85 - 6.2=34, 3.0/5039=29...(17) HD3 ARG 70 + H ARG 66 OK 52 92 - 57 - 3.5/2690=8, 3.5/2690=8...(26) HD2 ARG 70 + H ARG 66 OK 50 89 - 57 - 3.5/2690=8, 3.5/2690=8...(26) HD3 ARG 26 - H ARG 66 OK 27 93 - 30 - 3.5/2682=5, 3.5/2682=5...(13) HD2 ARG 26 - H ARG 66 OK 27 92 - 30 - 3.5/2682=5, 3.5/2682=5...(13) HD3 ARG 71 - H ARG 66 OK 16 97 - 16 - 4.7/5036=5, 3.5/2682=2...(6) HD3 ARG 27 - H ARG 66 lone 6 83 - 8 - HD2 ARG 27 - H ARG 66 lone 6 83 - 8 - HD2 ARG 23 - H ARG 66 lone 6 73 - 8 - HD3 ARG 23 - H ARG 66 lone 6 73 - 8 - HD2 ARG 17 - H ARG 66 lone 4 60 - 6 - 5.6/271=2 HD3 ARG 17 - H ARG 66 lone 4 60 - 6 - 5.6/271=2 Peak 746 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 4.34 A): 4 out of 13 assignments used, quality = 0.99: * HD3 ARG 66 + H ARG 66 OK 85 100 - 85 - 6.2=34, 3.0/5039=29...(17) HD2 ARG 66 + H ARG 66 OK 85 100 - 85 - 6.2=34, 3.0/5039=29...(17) HD3 ARG 70 + H ARG 66 OK 51 89 - 57 - 3.5/2690=8, 3.5/2690=8...(26) HD2 ARG 70 + H ARG 66 OK 48 85 - 57 - 3.5/2690=8, 3.5/2690=8...(26) HD3 ARG 26 - H ARG 66 OK 28 96 - 30 - 3.5/2682=5, 3.5/2682=5...(13) HD2 ARG 26 - H ARG 66 OK 28 95 - 30 - 3.5/2682=5, 3.5/2682=5...(13) HD3 ARG 71 - H ARG 66 OK 15 95 - 16 - 4.7/5036=5, 3.5/2682=2...(6) HD3 ARG 27 - H ARG 66 lone 7 87 - 8 - HD2 ARG 27 - H ARG 66 lone 7 87 - 8 - HD2 ARG 23 - H ARG 66 lone 7 78 - 8 - HD3 ARG 23 - H ARG 66 lone 7 78 - 8 - HD2 ARG 17 - H ARG 66 lone 4 65 - 6 - 5.6/271=2 HD3 ARG 17 - H ARG 66 lone 4 65 - 6 - 5.6/271=2 Peak 747 from nnoeabs.peaks (7.93, 7.93, 121.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 67 + H ASP 67 OK 100 100 - 100 Peak 748 from nnoeabs.peaks (4.48, 7.93, 121.56 ppm; 3.55 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 67 + H ASP 67 OK 100 100 - 100 - 3.0=100 HA ASP 46 - H ASP 67 OK 21 90 - 23 - 2730=5, 2735/3.9=3...(9) HA PRO 14 - H ASP 67 poor 10 78 - 12 - 2.3/278=2, 3.6/5807=2...(6) HA ASP 24 - H ASP 67 lone 7 97 - 7 - 2735/3.9=1 HA TYR 81 - H ASP 67 lone 3 89 - 3 - HA SER 22 - H ASP 67 lone 1 60 - 2 - Peak 749 from nnoeabs.peaks (2.90, 7.93, 121.56 ppm; 3.16 A): 3 out of 4 assignments used, quality = 0.81: * HB2 ASP 67 + H ASP 67 OK 73 100 - 73 - 3.9=52, 1.8/750=26...(7) HB2 ASN 49 + H ASP 67 OK 18 100 - 18 - 4488/3.0=6, ~5360=4...(7) HB3 PHE 35 + H ASP 67 OK 16 95 - 17 - 1.8/750=6, 2740/3.9=4...(5) HB3 PHE 48 - H ASP 67 lone 3 90 - 4 - 2732/3.0=1 Peak 750 from nnoeabs.peaks (2.84, 7.93, 121.56 ppm; 3.32 A): 2 out of 3 assignments used, quality = 0.82: * HB3 ASP 67 + H ASP 67 OK 78 100 - 78 - 3.9=61, 1.8/749=25...(7) HB2 PHE 35 + H ASP 67 OK 19 95 - 20 - 1.8/749=6, 2733/3.0=5...(5) HB2 ASN 74 - H ASP 67 lone 1 65 - 2 - Peak 751 from nnoeabs.peaks (8.44, 8.44, 120.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + H ILE 68 OK 100 100 - 100 Peak 752 from nnoeabs.peaks (3.51, 8.44, 120.04 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + H ILE 68 OK 100 100 - 100 - 3.0=100 Peak 753 from nnoeabs.peaks (1.90, 8.44, 120.04 ppm; 2.96 A): 5 out of 12 assignments used, quality = 0.92: * HB ILE 68 + H ILE 68 OK 72 100 - 72 - 3.9=43, 2.1/754=11...(14) HG13 ILE 68 + H ILE 68 OK 44 65 - 68 - 4.5=28, 2.1/757=11...(13) HG12 ILE 40 + H ILE 68 OK 31 99 - 32 - 3.2/5616=6, 2744/3.0=4...(11) HB2 ARG 66 + H ILE 68 OK 20 81 - 25 - 4.0/5812=10, 4.6/938=8...(4) HB3 PRO 14 + H ILE 68 OK 10 97 - 10 - 3.0/4747=2, 2.3/285=1 HB3 GLU 87 - H ILE 68 lone 7 97 - 7 - 3.0/3555=1 HB2 GLU 19 - H ILE 68 lone 6 95 - 6 - 3.0/3720=1 HB3 ARG 26 - H ILE 68 lone 4 90 - 5 - HB2 ARG 26 - H ILE 68 lone 4 89 - 5 - HB3 PRO 34 - H ILE 68 lone 3 76 - 4 - HB2 MET 11 - H ILE 68 lone 3 96 - 3 - HB2 GLN 91 - H ILE 68 lone 1 100 - 1 - Peak 754 from nnoeabs.peaks (0.81, 8.44, 120.04 ppm; 3.38 A): 3 out of 6 assignments used, quality = 0.95: * QG2 ILE 68 + H ILE 68 OK 86 100 - 86 - 4.0=59, 2.1/2749=17...(16) QD1 ILE 68 + H ILE 68 OK 45 63 - 72 - 5.0=31, 2.1/2770=15...(13) QG1 VAL 41 + H ILE 68 OK 37 95 - 39 - 2.1/755=6, 2745/3.0=5...(13) QD1 LEU 43 - H ILE 68 OK 12 81 - 15 - 5803/4.6=2, 4913/4.6=1...(6) QD1 ILE 89 - H ILE 68 lone 9 100 - 9 - 2745/3.0=1, 291/4.7=1 QD2 LEU 86 - H ILE 68 lone 6 73 - 8 - 3.1/5818=1 Peak 755 from nnoeabs.peaks (0.92, 8.44, 120.04 ppm; 3.45 A): 3 out of 10 assignments used, quality = 0.96: * HG12 ILE 68 + H ILE 68 OK 84 100 - 84 - 4.5=44, 2764/3.0=22...(13) QG2 ILE 40 + H ILE 68 OK 54 98 - 55 - 5616=11, 4298/4.0=7...(16) QG2 VAL 41 + H ILE 68 OK 41 93 - 44 - 2.1/757=7, 1982/4.0=5...(13) QG2 VAL 76 - H ILE 68 OK 14 100 - 14 - 292/4.7=2, 2746/3.0=2...(6) QG1 VAL 76 - H ILE 68 OK 14 100 - 14 - 292/4.7=2, 2746/3.0=2...(6) QD2 LEU 62 - H ILE 68 OK 14 98 - 14 - 3910/4.7=2, 2.1/5818=1...(6) QD2 LEU 43 - H ILE 68 poor 10 73 - 13 - 2.1/754=2, 4746/4.6=1 QG1 VAL 90 - H ILE 68 lone 2 81 - 2 - QG2 VAL 90 - H ILE 68 lone 2 78 - 2 - HG LEU 51 - H ILE 68 lone 1 60 - 2 - Peak 756 from nnoeabs.peaks (1.92, 8.44, 120.04 ppm; 3.00 A): 5 out of 9 assignments used, quality = 0.94: * HG13 ILE 68 + H ILE 68 OK 71 100 - 71 - 4.5=29, 2.1/757=12...(14) HB ILE 68 + H ILE 68 OK 47 65 - 73 - 3.9=44, 2.1/754=11...(13) HB VAL 41 + H ILE 68 OK 31 99 - 31 - 2.1/757=6, 2.1/755=4...(10) HG12 ILE 40 + H ILE 68 OK 26 85 - 30 - 3.2/5616=7, 2.1/5622=4...(10) HB3 ARG 66 + H ILE 68 OK 26 87 - 29 - 4.0/5812=10, 4.6/938=8...(7) HB2 MET 31 - H ILE 68 lone 8 96 - 8 - 3772/4.6=1 HB3 GLU 87 - H ILE 68 lone 7 90 - 7 - 3.0/3555=1 HB2 GLU 19 - H ILE 68 lone 6 93 - 7 - 3.0/3720=1 HB2 GLN 91 - H ILE 68 lone 1 65 - 1 - Peak 757 from nnoeabs.peaks (0.78, 8.44, 120.04 ppm; 3.42 A): 3 out of 3 assignments used, quality = 0.93: * QD1 ILE 68 + H ILE 68 OK 76 100 - 76 - 5.0=33, 2.1/2770=15...(15) QG2 ILE 68 + H ILE 68 OK 54 63 - 86 - 4.0=62, 2.1/2749=17...(16) QG1 VAL 41 + H ILE 68 OK 37 92 - 40 - 2748/3.0=6, 2.1/755=6...(11) Peak 758 from nnoeabs.peaks (7.98, 7.98, 119.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 69 + H ARG 69 OK 100 100 - 100 Peak 759 from nnoeabs.peaks (3.63, 7.98, 119.32 ppm; 3.45 A): 3 out of 4 assignments used, quality = 1.00: * HA ARG 69 + H ARG 69 OK 100 100 - 100 - 2.9=100 HA VAL 65 + H ARG 69 OK 53 100 - 53 - 5313/4.7=10, 4706/4.1=6...(19) HA ILE 40 + H ARG 69 OK 52 100 - 52 - 3.2/4326=8, 4751/4.1=6...(19) HD3 PRO 14 - H ARG 69 OK 24 96 - 24 - 4820/4.0=3, 3.6/5819=2...(13) Peak 760 from nnoeabs.peaks (1.80, 7.98, 119.32 ppm; 3.35 A): 6 out of 13 assignments used, quality = 0.92: * HB2 ARG 69 + H ARG 69 OK 78 100 - 78 - 4.0=59, 1.8/761=11...(12) HB3 LYS 75 + H ARG 69 OK 28 92 - 31 - 4.6/940=4, 4.0/5825=4...(14) HB2 LYS 73 + H ARG 69 OK 21 83 - 25 - 2968=3, 2786/2.9=2...(13) HB3 LYS 73 + H ARG 69 OK 16 71 - 23 - 1.8/2968=3, 2.9/763=2...(12) HB2 LYS 85 + H ARG 69 OK 14 100 - 14 - 4.0/5825=2, 2786/2.9=2...(7) HB2 LYS 13 + H ARG 69 OK 12 95 - 13 - ~4819=2, 2786/2.9=2...(4) HB3 LYS 39 - H ARG 69 poor 10 83 - 12 - 4748/3.6=1, 2786/2.9=1...(4) HB3 ARG 84 - H ARG 69 lone 7 100 - 7 - 4.6/5825=2 HB ILE 89 - H ARG 69 lone 6 81 - 8 - 3.2/291=2 HB2 LYS 32 - H ARG 69 poor 6 60 - 11 - 4.0/940=2, 3.0/5379=2 HB3 LYS 32 - H ARG 69 poor 6 60 - 11 - 4.0/940=2, 3.0/5379=2 HB2 LYS 83 - H ARG 69 lone 4 81 - 4 - HB2 PRO 34 - H ARG 69 lone 3 76 - 4 - 4748/3.6=2 Peak 761 from nnoeabs.peaks (1.39, 7.98, 119.32 ppm; 3.36 A): 3 out of 13 assignments used, quality = 0.93: * HB3 ARG 69 + H ARG 69 OK 78 100 - 78 - 4.0=59, 1.8/760=13...(11) HG3 ARG 69 + H ARG 69 OK 57 87 - 66 - 4.7=37, 1.8/762=10...(12) HG3 LYS 75 + H ARG 69 OK 27 100 - 27 - 2.7/760=4, 4.9/940=4...(12) HG2 LYS 75 - H ARG 69 OK 27 100 - 27 - 2.7/760=4, 4.9/940=4...(12) HG3 LYS 73 - H ARG 69 OK 20 99 - 20 - 2.9/760=3, 2787/2.9=2...(8) HG3 LYS 39 - H ARG 69 poor 10 97 - 10 - 2.9/760=1 HG2 LYS 85 - H ARG 69 poor 9 89 - 10 - 2.9/760=2, 4.8/5825=2 QB ALA 20 - H ARG 69 lone 8 89 - 9 - 2.9/288=5 QB ALA 77 - H ARG 69 lone 5 85 - 6 - 2.9/5433=2 HG2 LYS 13 - H ARG 69 lone 4 60 - 7 - 3.0/760=2, ~4819=1 QB ALA 53 - H ARG 69 lone 4 100 - 4 - QB ALA 78 - H ARG 69 lone 3 99 - 3 - HG2 LYS 83 - H ARG 69 lone 2 68 - 3 - Peak 762 from nnoeabs.peaks (1.24, 7.98, 119.32 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.96: * HG2 ARG 69 + H ARG 69 OK 80 100 - 80 - 4.7=53, 3.0/760=12...(15) HG13 ILE 40 + H ARG 69 OK 63 98 - 64 - 3.2/4326=9, 1.8/290=9...(22) QG1 VAL 65 + H ARG 69 OK 52 99 - 53 - 5964/4.1=7, 3.2/759=7...(16) QG2 VAL 65 - H ARG 69 OK 25 63 - 41 - 3.2/759=7, 2670/2.9=4...(14) HG13 ILE 33 - H ARG 69 OK 12 81 - 15 - 4853/4.1=2, 2808=1...(8) Peak 763 from nnoeabs.peaks (1.38, 7.98, 119.32 ppm; 3.28 A): 6 out of 13 assignments used, quality = 0.95: HB3 ARG 69 + H ARG 69 OK 65 87 - 75 - 4.0=56, 1.8/760=13...(11) * HG3 ARG 69 + H ARG 69 OK 65 100 - 65 - 4.7=34, 1.8/762=10...(12) HG3 LYS 75 + H ARG 69 OK 24 95 - 26 - 2.7/760=4, 4.9/940=3...(11) HG2 LYS 75 + H ARG 69 OK 24 95 - 26 - 2.7/760=4, 4.9/940=3...(11) HG3 LYS 73 + H ARG 69 OK 18 97 - 19 - 2.9/760=2, 2789/2.9=2...(9) HG2 LYS 85 + H ARG 69 OK 10 100 - 10 - 2.9/760=2, 4.8/5825=1 QB ALA 20 - H ARG 69 lone 9 100 - 9 - 2.9/288=4, 4755/4.1=1 QB ALA 77 - H ARG 69 lone 6 100 - 6 - 2.9/5433=2 HG3 LYS 39 - H ARG 69 lone 5 63 - 8 - 2.9/760=1 HG2 LYS 83 - H ARG 69 lone 3 99 - 3 - QB ALA 53 - H ARG 69 lone 3 90 - 4 - QB ALA 78 - H ARG 69 lone 2 97 - 3 - QB ALA 16 - H ARG 69 lone 1 89 - 1 - Peak 766 from nnoeabs.peaks (7.95, 7.95, 118.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 70 + H ARG 70 OK 100 100 - 100 Peak 767 from nnoeabs.peaks (4.00, 7.95, 118.23 ppm; 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 70 + H ARG 70 OK 100 100 - 100 - 2.9=100 HA ARG 66 - H ARG 70 OK 30 71 - 42 - 3.0/768=5, 3.0/937=4...(20) HA LYS 32 - H ARG 70 OK 16 71 - 22 - 1554=4, 3.9/1584=2...(8) HA ARG 54 - H ARG 70 lone 6 99 - 6 - HB2 SER 22 - H ARG 70 lone 4 98 - 4 - 3.0/4792=1 HA PHE 48 - H ARG 70 lone 2 65 - 3 - Peak 768 from nnoeabs.peaks (1.95, 7.95, 118.23 ppm; 2.96 A): 4 out of 8 assignments used, quality = 0.91: * HB2 ARG 70 + H ARG 70 OK 60 100 - 60 - 4.1=38, 4.4/5390=7...(13) HB3 ARG 70 + H ARG 70 OK 60 100 - 60 - 4.1=38, 4.4/5390=7...(13) HB3 ARG 66 + H ARG 70 OK 30 95 - 32 - 3.0/767=4, 2842/2.9=4...(13) HB2 LEU 64 + H ARG 70 OK 15 89 - 17 - 1.8/770=2, 3.0/4693=2...(8) HB2 MET 31 - H ARG 70 lone 8 85 - 10 - 3.0/3771=1, 4.0/910=1 HB VAL 41 - H ARG 70 lone 6 71 - 8 - 2.1/5830=2, 2.1/5831=2 HG LEU 57 - H ARG 70 lone 3 100 - 3 - HB2 GLN 79 - H ARG 70 lone 2 96 - 2 - Peak 769 from nnoeabs.peaks (1.95, 7.95, 118.23 ppm; 2.96 A): 4 out of 8 assignments used, quality = 0.91: HB2 ARG 70 + H ARG 70 OK 60 100 - 60 - 4.1=38, 4.4/5390=7...(13) * HB3 ARG 70 + H ARG 70 OK 60 100 - 60 - 4.1=38, 4.4/5390=7...(13) HB3 ARG 66 + H ARG 70 OK 30 95 - 32 - 3.0/767=4, 2842/2.9=4...(13) HB2 LEU 64 + H ARG 70 OK 15 89 - 17 - 1.8/770=2, 3.0/4693=2...(8) HB2 MET 31 - H ARG 70 lone 8 85 - 10 - 3.0/3771=1, 4.0/910=1 HB VAL 41 - H ARG 70 lone 6 71 - 8 - 2.1/5830=2, 2.1/5831=2 HG LEU 57 - H ARG 70 lone 3 100 - 3 - HB2 GLN 79 - H ARG 70 lone 2 96 - 2 - Peak 770 from nnoeabs.peaks (1.71, 7.95, 118.23 ppm; 3.98 A): 3 out of 10 assignments used, quality = 0.95: * HG2 ARG 70 + H ARG 70 OK 85 100 - 85 - 4.9=53, 2865/2.9=17...(15) HG3 ARG 66 + H ARG 70 OK 54 95 - 57 - 2844/2.9=7, 2.8/768=6...(25) HB3 LEU 64 + H ARG 70 OK 31 97 - 32 - 1.8/769=4, 3.0/4693=4...(13) HB2 LEU 29 - H ARG 70 OK 29 99 - 29 - 1483=6, 3.0/1497=3...(10) HB3 LYS 85 - H ARG 70 OK 18 93 - 20 - 4.0/5390=4, 1.8/297=3...(7) HB2 ARG 84 - H ARG 70 OK 16 87 - 19 - 4.6/5390=3, 1.8/297=3...(8) HB2 LEU 43 - H ARG 70 OK 11 90 - 13 - 3.1/5831=2, 3.1/5830=1 HB3 LYS 83 - H ARG 70 lone 8 98 - 8 - 4.3/907=1, 1.8/297=1 HB3 LYS 13 - H ARG 70 poor 7 65 - 10 - 4819/3.6=2, 1.8/297=2, 4.8/296=2 HB2 ARG 82 - H ARG 70 lone 3 93 - 4 - Peak 771 from nnoeabs.peaks (1.61, 7.95, 118.23 ppm; 4.19 A): 3 out of 18 assignments used, quality = 0.95: * HG3 ARG 70 + H ARG 70 OK 89 100 - 89 - 4.9=62, 1.8/2864=16...(15) HG2 ARG 71 + H ARG 70 OK 33 99 - 33 - 5.0/5390=12, 5.0/295=5...(9) HD3 LYS 32 + H ARG 70 OK 30 100 - 30 - 3.0/1584=4, 3.0/1594=4...(13) HD2 LYS 32 - H ARG 70 OK 30 100 - 30 - 3.0/1584=4, 3.0/1594=4...(13) HD2 LYS 73 - H ARG 70 OK 26 100 - 27 - 2.9/300=4, 3.5/297=3...(11) HD3 LYS 73 - H ARG 70 OK 26 100 - 27 - 2.9/300=4, 3.5/297=3...(11) HB2 LEU 86 - H ARG 70 OK 16 100 - 16 - 4.6/5826=4, 3.1/5831=2...(5) HG2 ARG 84 - H ARG 70 OK 15 85 - 17 - 3.0/297=2, 3.0/770=2...(6) HG3 ARG 84 - H ARG 70 OK 15 85 - 17 - 3.0/297=2, 3.0/770=2...(6) HG LEU 86 - H ARG 70 OK 13 93 - 13 - 2.1/5831=3, 2.1/1504=2...(4) HB3 LEU 62 - H ARG 70 OK 12 73 - 16 - 4.6/295=3, 3.1/5830=2...(4) HG2 ARG 26 - H ARG 70 OK 11 98 - 11 - 778/4.6=2, 2845/2.9=1 HG2 ARG 17 - H ARG 70 lone 9 99 - 9 - 778/4.6=1, 2845/2.9=1 HG3 ARG 17 - H ARG 70 lone 9 99 - 9 - 778/4.6=1, 2845/2.9=1 HB3 LEU 51 - H ARG 70 lone 8 95 - 8 - HG2 ARG 27 - H ARG 70 lone 6 85 - 7 - 778/4.6=1 HG3 ARG 27 - H ARG 70 lone 6 83 - 7 - 778/4.6=1 HD2 LYS 39 - H ARG 70 lone 4 60 - 7 - 3.0/298=1, 3.5/297=1 Peak 774 from nnoeabs.peaks (8.11, 8.11, 117.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 71 + H ARG 71 OK 100 100 - 100 Peak 775 from nnoeabs.peaks (4.08, 8.11, 117.98 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 71 + H ARG 71 OK 100 100 - 100 - 2.9=100 HA ARG 26 - H ARG 71 OK 39 99 - 39 - 2896=5, 3.7/779=4...(16) HA ALA 63 - H ARG 71 OK 21 93 - 23 - 3.0/942=3, 312/4.7=2...(10) HA GLU 25 - H ARG 71 OK 15 95 - 16 - 2896=2, 2.9/904=2...(5) HA VAL 90 - H ARG 71 lone 4 100 - 4 - Peak 776 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 3 out of 14 assignments used, quality = 0.93: HB3 ARG 71 + H ARG 71 OK 69 100 - 69 - 4.0=49, 2.8/2928=10...(14) * HB2 ARG 71 + H ARG 71 OK 69 100 - 69 - 4.0=49, 2.8/2928=10...(14) HB2 ARG 66 + H ARG 71 OK 23 76 - 31 - 1.8/306=6, 2.8/307=4...(13) HB2 ARG 26 - H ARG 71 OK 19 65 - 29 - 3.0/775=5, 3.0/779=4...(8) HB3 ARG 26 - H ARG 71 OK 18 63 - 28 - 3.0/775=5, 3.0/779=4...(8) HB2 ARG 27 - H ARG 71 OK 14 100 - 14 - 4.1/5380=2, 2904=1, 2.9/778=1 HB3 ARG 27 - H ARG 71 OK 14 100 - 14 - 4.1/5380=2, 2904=1, 2.9/778=1 HB2 LYS 75 - H ARG 71 OK 10 97 - 10 - 3.0/3066=2, 4.6/303=1...(5) HB2 ARG 17 - H ARG 71 poor 10 95 - 10 - 1.8/779=2, 2.9/778=1, 2.9/778=1 HB3 ARG 23 - H ARG 71 lone 4 100 - 4 - HB2 ARG 23 - H ARG 71 lone 4 99 - 4 - HB3 PRO 34 - H ARG 71 lone 4 81 - 4 - 2.3/779=1 HB2 LYS 39 - H ARG 71 lone 3 100 - 3 - HB ILE 89 - H ARG 71 lone 2 60 - 4 - Peak 777 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 3 out of 13 assignments used, quality = 0.93: HB2 ARG 71 + H ARG 71 OK 69 100 - 69 - 4.0=49, 2.8/2928=10...(14) * HB3 ARG 71 + H ARG 71 OK 69 100 - 69 - 4.0=49, 2.8/2928=10...(14) HB2 ARG 66 + H ARG 71 OK 24 78 - 31 - 1.8/306=6, 2.8/307=4...(13) HB2 ARG 26 - H ARG 71 OK 19 68 - 29 - 3.0/775=5, 3.0/779=4...(8) HB3 ARG 26 - H ARG 71 OK 19 65 - 29 - 3.0/775=5, 3.0/779=4...(8) HB2 ARG 27 - H ARG 71 OK 14 100 - 14 - 4.1/5380=2, 2904=1, 2.9/778=1 HB3 ARG 27 - H ARG 71 OK 14 100 - 14 - 4.1/5380=2, 2904=1, 2.9/778=1 HB2 LYS 75 - H ARG 71 OK 10 97 - 10 - 3.0/3066=2, 4.6/303=1...(5) HB2 ARG 17 - H ARG 71 poor 9 93 - 10 - 1.8/779=2, 2.9/778=1, 2.9/778=1 HB3 ARG 23 - H ARG 71 lone 4 99 - 4 - HB2 ARG 23 - H ARG 71 lone 4 99 - 4 - HB3 PRO 34 - H ARG 71 lone 4 83 - 4 - 2.3/779=1 HB2 LYS 39 - H ARG 71 lone 3 100 - 3 - Peak 778 from nnoeabs.peaks (1.62, 8.11, 117.98 ppm; 3.81 A): 3 out of 16 assignments used, quality = 0.97: * HG2 ARG 71 + H ARG 71 OK 79 100 - 79 - 5.0=45, 1.8/2928=19...(20) HG3 ARG 70 + H ARG 71 OK 74 99 - 74 - 5.0=44, 1.8/307=12...(13) HG2 ARG 26 + H ARG 71 OK 41 100 - 42 - 1.8/779=8, 3.7/775=6...(13) HD3 LYS 73 - H ARG 71 OK 22 98 - 23 - 6.1/942=2, 2920=2...(11) HD2 LYS 73 - H ARG 71 OK 22 98 - 23 - 6.1/942=2, 2920=2...(11) HD3 LYS 32 - H ARG 71 OK 22 99 - 22 - 2920=2, 1.8/2920=2...(10) HD2 LYS 32 - H ARG 71 OK 22 98 - 22 - 2920=2, 1.8/2920=2...(10) HG2 ARG 17 - H ARG 71 OK 22 100 - 22 - 2.9/779=2, 2932/5.0=2...(6) HG3 ARG 17 - H ARG 71 OK 21 100 - 22 - 2.9/779=2, 2932/5.0=2...(6) HG2 ARG 27 - H ARG 71 OK 20 96 - 21 - 5.0/5380=2, 2.9/777=2...(6) HG3 ARG 27 - H ARG 71 OK 20 95 - 21 - 5.0/5380=2, 2.9/777=2...(6) HB2 LEU 86 - H ARG 71 OK 12 100 - 12 - 3.1/5835=1 HG LEU 86 - H ARG 71 poor 9 81 - 11 - 2.1/5835=1, 2.1/5367=1 HG3 ARG 84 - H ARG 71 poor 9 68 - 13 - 3.0/307=1 HG2 ARG 84 - H ARG 71 poor 9 68 - 13 - 3.0/307=1 HB3 LEU 51 - H ARG 71 lone 4 83 - 4 - Peak 779 from nnoeabs.peaks (1.75, 8.11, 117.98 ppm; 3.54 A): 7 out of 16 assignments used, quality = 0.90: * HG3 ARG 71 + H ARG 71 OK 68 100 - 68 - 5.0=36, 5.0/5397=9...(17) HG3 ARG 26 + H ARG 71 OK 38 100 - 38 - 1391/2.9=6, 1390=5...(13) HB2 LEU 62 + H ARG 71 OK 15 100 - 15 - 3.1/5834=2, 4.6/942=2...(5) HB3 ARG 17 + H ARG 71 OK 14 99 - 15 - 1164/4.0=2, 1164/4.0=2...(6) HB3 LYS 73 + H ARG 71 OK 11 68 - 16 - 4.0/942=4, 3.0/4008=2...(7) HB2 LYS 32 + H ARG 71 OK 10 78 - 13 - 4.0/303=2, 3.0/304=2...(4) HB3 LYS 32 + H ARG 71 OK 10 78 - 13 - 4.0/303=2, 3.0/304=2...(4) HG2 PRO 34 - H ARG 71 lone 8 99 - 8 - 1723/4.0=2, 1723/4.0=2 HB2 ARG 84 - H ARG 71 lone 4 71 - 6 - HB2 LEU 57 - H ARG 71 lone 4 92 - 5 - HB2 ARG 54 - H ARG 71 lone 4 93 - 4 - 2308/3.6=1 HB2 PRO 34 - H ARG 71 lone 4 63 - 6 - HB2 LEU 43 - H ARG 71 lone 3 65 - 5 - 3.1/5835=1, 3.1/5834=1 HB3 ARG 82 - H ARG 71 lone 3 93 - 3 - HB3 LYS 85 - H ARG 71 lone 3 60 - 5 - HB ILE 33 - H ARG 71 lone 1 89 - 2 - Peak 782 from nnoeabs.peaks (7.99, 7.99, 106.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 72 + H GLY 72 OK 100 100 - 100 Peak 783 from nnoeabs.peaks (3.96, 7.99, 106.73 ppm; 3.31 A): 1 out of 10 assignments used, quality = 1.00: * HA2 GLY 72 + H GLY 72 OK 100 100 - 100 - 3.0=100 HA VAL 76 - H GLY 72 OK 18 100 - 18 - 320/4.5=3, 2956/3.0=3...(4) HA ARG 66 - H GLY 72 OK 13 93 - 14 - 3.0/5842=2, 5378=2...(4) HA ALA 28 - H GLY 72 OK 10 100 - 10 - 3.6/908=2, 2956/3.0=1 HA LYS 32 - H GLY 72 lone 9 93 - 9 - 320/4.5=1 HA GLN 61 - H GLY 72 lone 8 100 - 8 - 3.6/933=1, 3.0/5759=1 HA GLU 50 - H GLY 72 lone 4 100 - 4 - HA2 GLY 21 - H GLY 72 lone 3 97 - 3 - HA3 GLY 21 - H GLY 72 lone 3 96 - 3 - HA THR 37 - H GLY 72 lone 3 65 - 4 - Peak 784 from nnoeabs.peaks (3.74, 7.99, 106.73 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 72 + H GLY 72 OK 100 100 - 100 - 3.0=100 Peak 785 from nnoeabs.peaks (8.00, 8.00, 120.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + H LYS 73 OK 100 100 - 100 Peak 786 from nnoeabs.peaks (4.18, 8.00, 120.49 ppm; 3.57 A): 1 out of 9 assignments used, quality = 0.99: * HA LYS 73 + H LYS 73 OK 99 99 - 100 - 3.0=100 HA ILE 89 - H LYS 73 OK 24 90 - 27 - 3.0/787=5, 4.2/5264=3...(12) HA ARG 84 - H LYS 73 OK 18 100 - 18 - 2958=3, 3.0/787=2...(5) HA LEU 29 - H LYS 73 OK 17 71 - 24 - 3.0/908=3, 3.0/3764=3...(7) HA ARG 82 - H LYS 73 OK 10 98 - 10 - 6051/4.0=1 HA ALA 53 - H LYS 73 poor 8 78 - 10 - 4.8/5987=3, 2.1/790=1 HA ALA 78 - H LYS 73 lone 7 81 - 8 - 2.9/944=2 HA GLN 79 - H LYS 73 lone 5 96 - 6 - HB THR 15 - H LYS 73 lone 2 87 - 2 - Peak 787 from nnoeabs.peaks (1.82, 8.00, 120.49 ppm; 3.15 A): 5 out of 9 assignments used, quality = 0.87: * HB2 LYS 73 + H LYS 73 OK 69 100 - 69 - 4.0=47, 2.9/789=11...(14) HB ILE 89 + H LYS 73 OK 25 100 - 25 - 3605/3.0=4, 3.2/5264=3...(13) HB2 ARG 69 + H LYS 73 OK 23 83 - 28 - 5844/3.6=4, 1.8/790=3...(10) HB2 LYS 75 + H LYS 73 OK 16 83 - 20 - 2968=2, 2.7/790=2...(8) HB2 LYS 85 + H LYS 73 OK 15 83 - 18 - 2.9/789=2, 2968=2...(5) HB3 ARG 84 - H LYS 73 poor 9 83 - 11 - 3.0/786=2, 3384/3.0=1, ~3376=1 HB2 ARG 17 - H LYS 73 lone 3 89 - 3 - HB2 ARG 23 - H LYS 73 lone 2 73 - 2 - HB3 ARG 23 - H LYS 73 lone 2 71 - 2 - Peak 788 from nnoeabs.peaks (1.78, 8.00, 120.49 ppm; 3.13 A): 6 out of 18 assignments used, quality = 0.86: * HB3 LYS 73 + H LYS 73 OK 69 100 - 69 - 4.0=46, 2.9/789=11...(13) HB3 LYS 32 + H LYS 73 OK 16 100 - 16 - 3.0/5987=4, 3242/3.0=1...(4) HB2 LYS 32 + H LYS 73 OK 16 100 - 16 - 3.0/5987=4, 3242/3.0=1...(4) HB2 ARG 69 + H LYS 73 OK 16 71 - 22 - 1.8/790=3, 3.0/2784=3...(8) HB3 LYS 75 + H LYS 73 OK 16 97 - 16 - 1.8/2968=2, 2.7/790=2...(5) HB2 LEU 57 + H LYS 73 OK 10 97 - 10 - 1.8/789=3, 2435/4.5=2, 3.8/944=1 HB2 LYS 85 - H LYS 73 poor 9 71 - 13 - 2.9/789=2, ~6062=2, 2.9/790=2 HG3 ARG 71 - H LYS 73 poor 7 68 - 11 - 5841/4.5=3, 5.0/942=2...(4) HB3 LYS 39 - H LYS 73 lone 7 100 - 7 - HB2 LYS 13 - H LYS 73 lone 7 96 - 7 - 3.0/789=1 HB3 ARG 84 - H LYS 73 lone 7 71 - 9 - 3.0/786=2, 3384/3.0=1, ~3376=1 HB2 ARG 54 - H LYS 73 lone 6 96 - 6 - 3.0/5987=3 HB3 ARG 82 - H LYS 73 lone 5 96 - 6 - 3.0/786=1 HB2 LYS 83 - H LYS 73 lone 5 100 - 5 - HB ILE 33 - H LYS 73 lone 3 98 - 3 - HG3 ARG 26 - H LYS 73 lone 2 60 - 4 - HG2 PRO 34 - H LYS 73 lone 2 87 - 3 - HB2 PRO 34 - H LYS 73 lone 2 100 - 2 - Peak 789 from nnoeabs.peaks (1.48, 8.00, 120.49 ppm; 3.87 A): 4 out of 6 assignments used, quality = 0.86: * HG2 LYS 73 + H LYS 73 OK 78 100 - 78 - 4.9=49, 2.9/787=15...(17) HG3 LYS 85 + H LYS 73 OK 17 71 - 24 - 2.9/787=3, 1.8/790=3...(8) HB3 LEU 57 + H LYS 73 OK 16 97 - 17 - 2442/4.5=3, 3.8/944=2...(6) QB ALA 63 + H LYS 73 OK 13 99 - 13 - 2609=2, 2.1/2606=1...(4) HG3 LYS 13 - H LYS 73 poor 10 78 - 12 - 2962/3.0=2, 2988=2...(4) HB3 LEU 52 - H LYS 73 lone 6 100 - 6 - Peak 790 from nnoeabs.peaks (1.39, 8.00, 120.49 ppm; 3.99 A): 3 out of 13 assignments used, quality = 0.94: * HG3 LYS 73 + H LYS 73 OK 83 100 - 83 - 4.9=53, 1.8/789=22...(16) HB3 ARG 69 + H LYS 73 OK 43 99 - 44 - 2800=7, 1.8/787=7...(13) HG3 ARG 69 + H LYS 73 OK 36 97 - 38 - 3.0/787=5, 2816=5...(11) HG3 LYS 75 - H LYS 73 OK 29 100 - 29 - 2.7/787=4, 2.7/788=3...(13) HG2 LYS 75 - H LYS 73 OK 29 100 - 29 - 2.7/787=4, 2.7/788=3...(13) HG2 LYS 85 - H LYS 73 OK 26 97 - 27 - 1.8/789=5, 2.9/787=3...(8) HG3 LYS 39 - H LYS 73 OK 13 89 - 15 - 1875/4.0=1, 2.9/788=1 QB ALA 53 - H LYS 73 OK 13 100 - 13 - 4.9/5987=3, 2297/3.0=2...(4) QB ALA 77 - H LYS 73 poor 10 96 - 10 - 3989/4.5=3, 3.6/944=2 QB ALA 78 - H LYS 73 lone 10 100 - 10 - 2.9/944=2, 2.1/786=1, 327/4.5=1 HG2 LYS 83 - H LYS 73 lone 6 85 - 7 - QB ALA 20 - H LYS 73 lone 3 97 - 3 - QB ALA 16 - H LYS 73 lone 1 63 - 2 - Peak 791 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 2 out of 19 assignments used, quality = 0.95: HD3 LYS 73 + H LYS 73 OK 78 100 - 78 - 6.1=38, 2.9/789=20...(17) * HD2 LYS 73 + H LYS 73 OK 78 100 - 78 - 6.1=38, 2.9/789=20...(17) HD3 LYS 32 - H LYS 73 OK 32 100 - 32 - 5.1/5987=5, 3.5/788=3...(14) HD2 LYS 32 - H LYS 73 OK 32 100 - 32 - 5.1/5987=5, 3.5/788=3...(14) HG3 ARG 70 - H LYS 73 OK 25 100 - 25 - 4.0/5987=13, 5.0/942=5...(4) HG2 ARG 71 - H LYS 73 OK 23 98 - 23 - 5840/4.5=5, 5.0/942=5...(8) HG2 ARG 84 - H LYS 73 OK 18 89 - 21 - 3.9/786=3, 3.0/787=2...(4) HG3 ARG 84 - H LYS 73 OK 18 89 - 21 - 3.9/786=3, 3.0/787=2...(4) HB3 LEU 62 - H LYS 73 OK 14 78 - 18 - 3.1/5263=3, 1.8/3907=2...(4) HB2 LEU 86 - H LYS 73 OK 10 100 - 10 - HG LEU 86 - H LYS 73 poor 10 96 - 10 - HD2 LYS 39 - H LYS 73 poor 8 65 - 12 - 3.0/790=2, 3.5/788=1 HD3 LYS 39 - H LYS 73 poor 8 63 - 12 - 3.0/790=2, 3.5/788=1 HG2 ARG 26 - H LYS 73 lone 7 97 - 8 - 5840/4.5=1, 4.9/944=1 HB3 LEU 51 - H LYS 73 lone 7 97 - 7 - HG2 ARG 17 - H LYS 73 lone 7 99 - 7 - HG3 ARG 17 - H LYS 73 lone 7 98 - 7 - HG2 ARG 27 - H LYS 73 lone 4 81 - 5 - HG3 ARG 27 - H LYS 73 lone 4 78 - 5 - Peak 792 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 4.41 A): 2 out of 19 assignments used, quality = 0.95: * HD3 LYS 73 + H LYS 73 OK 78 100 - 78 - 6.1=38, 2.9/789=20...(17) HD2 LYS 73 + H LYS 73 OK 78 100 - 78 - 6.1=38, 2.9/789=20...(17) HD3 LYS 32 - H LYS 73 OK 32 100 - 32 - 5.1/5987=5, 3.5/788=3...(14) HD2 LYS 32 - H LYS 73 OK 32 100 - 32 - 5.1/5987=5, 3.5/788=3...(14) HG3 ARG 70 - H LYS 73 OK 25 100 - 25 - 4.0/5987=13, 5.0/942=5...(4) HG2 ARG 71 - H LYS 73 OK 23 98 - 23 - 5840/4.5=5, 5.0/942=5...(8) HG2 ARG 84 - H LYS 73 OK 18 89 - 21 - 3.9/786=3, 3.0/787=2...(4) HG3 ARG 84 - H LYS 73 OK 18 89 - 21 - 3.9/786=3, 3.0/787=2...(4) HB3 LEU 62 - H LYS 73 OK 14 78 - 18 - 3.1/5263=3, 1.8/3907=2...(4) HB2 LEU 86 - H LYS 73 OK 10 100 - 10 - HG LEU 86 - H LYS 73 poor 10 96 - 10 - HD2 LYS 39 - H LYS 73 poor 8 65 - 12 - 3.0/790=2, 3.5/788=1 HD3 LYS 39 - H LYS 73 poor 8 63 - 12 - 3.0/790=2, 3.5/788=1 HG2 ARG 26 - H LYS 73 lone 7 97 - 8 - 5840/4.5=1, 4.9/944=1 HB3 LEU 51 - H LYS 73 lone 7 97 - 7 - HG2 ARG 17 - H LYS 73 lone 7 99 - 7 - HG3 ARG 17 - H LYS 73 lone 7 98 - 7 - HG2 ARG 27 - H LYS 73 lone 4 81 - 5 - HG3 ARG 27 - H LYS 73 lone 4 78 - 5 - Peak 795 from nnoeabs.peaks (8.15, 8.15, 119.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ASN 74 + H ASN 74 OK 100 100 - 100 H ARG 26 - H ARG 26 OK 40 40 - 100 Peak 796 from nnoeabs.peaks (4.62, 8.15, 119.01 ppm; 3.98 A): 1 out of 6 assignments used, quality = 1.00: * HA ASN 74 + H ASN 74 OK 100 100 - 100 - 3.0=100 HA ASN 80 - H ASN 74 OK 26 99 - 26 - 3055/4.0=3, ~5423=3...(11) HA ASN 74 - H ARG 26 poor 8 58 - 14 - ~6010=2, ~6009=2...(5) HA PRO 36 - H ASN 74 lone 5 98 - 5 - ~1780=2, ~1787=1 HA ASN 80 - H ARG 26 lone 1 56 - 2 - HA PRO 36 - H ARG 26 lone 0 55 - 1 - Peak 797 from nnoeabs.peaks (2.81, 8.15, 119.01 ppm; 3.73 A): 3 out of 8 assignments used, quality = 0.90: * HB2 ASN 74 + H ASN 74 OK 81 100 - 81 - 4.0=78, 334/4.6=10 HB3 ASN 74 + H ASN 74 OK 45 57 - 79 - 4.0=78, 334/4.6=5 HB2 ASN 74 + H ARG 26 OK 11 58 - 18 - 6010/3.0=4, ~5836=3...(8) HB2 TYR 55 - H ASN 74 lone 8 97 - 8 - 3050/3.0=1, 4584/2449=1 HB3 ASN 74 - H ARG 26 poor 4 27 - 17 - 5836/3.0=4, ~6010=3...(8) HB2 TYR 55 - H ARG 26 lone 2 54 - 3 - HB3 ASP 67 - H ASN 74 lone 1 65 - 1 - HB3 ASP 67 - H ARG 26 lone 1 31 - 2 - 3.0/4169=1 Peak 798 from nnoeabs.peaks (2.78, 8.15, 119.01 ppm; 3.81 A): 4 out of 12 assignments used, quality = 0.94: * HB3 ASN 74 + H ASN 74 OK 85 100 - 85 - 4.0=83, 335/4.6=9 HB2 ASN 74 + H ASN 74 OK 48 57 - 85 - 4.0=83, 335/4.6=5 HB3 ASN 80 + H ASN 74 OK 15 71 - 21 - 3.0/796=5, ~5423=5...(8) HB3 ASN 74 + H ARG 26 OK 11 58 - 18 - 5836/3.0=4, ~6010=3...(8) HB2 TYR 55 - H ASN 74 lone 5 83 - 6 - HB2 ASN 74 - H ARG 26 poor 5 27 - 17 - 5836/3.0=4, ~6009=3...(8) HB3 ASN 42 - H ASN 74 lone 2 78 - 2 - HB2 ASN 42 - H ASN 74 lone 2 73 - 2 - HB2 TYR 55 - H ARG 26 lone 1 42 - 3 - HB3 ASN 80 - H ARG 26 lone 0 34 - 1 - HB3 ASN 42 - H ARG 26 lone 0 39 - 1 - HB2 ASN 42 - H ARG 26 lone 0 36 - 1 - Peak 801 from nnoeabs.peaks (8.09, 8.09, 121.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 75 + H LYS 75 OK 100 100 - 100 H LYS 85 + H LYS 85 OK 46 46 - 100 Peak 802 from nnoeabs.peaks (4.24, 8.09, 121.69 ppm; 3.84 A): 1 out of 22 assignments used, quality = 1.00: * HA LYS 75 + H LYS 75 OK 100 100 - 100 - 3.0=100 HA LYS 85 - H LYS 85 OK 44 44 - 100 - 2.9=100 HA LYS 39 - H LYS 75 OK 35 99 - 36 - 1834/4.0=5, 3.0/803=4...(16) HA LYS 85 - H LYS 75 OK 24 92 - 26 - 3.0/3443=3, 3423=3...(14) HA ALA 77 - H LYS 75 OK 17 97 - 18 - 339/4.6=4, 3988/4.6=3...(5) HA LYS 75 - H LYS 85 OK 15 54 - 28 - 3066=7, 3.0/3076=3...(10) HA LYS 83 - H LYS 85 OK 15 54 - 28 - 3.0/3443=4, 3423=4...(13) HA LYS 83 - H LYS 75 OK 14 100 - 14 - 3.0/3443=2, 3423=1 HA LEU 64 - H LYS 75 lone 7 90 - 8 - 339/4.6=2 HA LYS 39 - H LYS 85 lone 5 52 - 9 - 385/4.7=1 HA ALA 20 - H LYS 75 lone 3 89 - 4 - HA THR 15 - H LYS 85 lone 3 54 - 6 - 1130/3.6=2, 1128/4.6=1 HA THR 15 - H LYS 75 lone 3 100 - 3 - HB THR 37 - H LYS 75 lone 3 81 - 3 - HA GLU 19 - H LYS 75 lone 3 95 - 3 - HA ALA 12 - H LYS 75 lone 2 93 - 2 - HA ALA 77 - H LYS 85 lone 2 49 - 4 - HA GLU 19 - H LYS 85 lone 2 47 - 3 - HA LEU 64 - H LYS 85 lone 1 43 - 3 - HA ALA 12 - H LYS 85 lone 1 46 - 3 - HB THR 37 - H LYS 85 lone 1 37 - 2 - HA ALA 20 - H LYS 85 lone 1 42 - 2 - Peak 803 from nnoeabs.peaks (1.84, 8.09, 121.69 ppm; 3.74 A): 3 out of 22 assignments used, quality = 0.94: * HB2 LYS 75 + H LYS 75 OK 88 100 - 88 - 4.0=82, 340/4.6=8...(9) HB2 LYS 39 + H LYS 75 OK 34 96 - 36 - 3068/3.0=6, 3076=5...(14) HB2 LYS 73 + H LYS 75 OK 32 83 - 39 - 324/4.6=6, 3076=4...(15) HB2 ARG 71 - H LYS 75 OK 16 97 - 16 - 4.4/5397=3, 2.8/2928=2...(6) HB3 ARG 71 - H LYS 75 OK 15 97 - 16 - 4.4/5397=3, 2.8/2928=2...(6) HB2 LYS 75 - H LYS 85 OK 13 54 - 24 - 3.0/3066=5, 3076=3...(5) HB2 LYS 73 - H LYS 85 poor 10 38 - 25 - 3.0/4008=2, 3076=2...(10) HB2 ARG 23 - H LYS 75 lone 7 100 - 6 - HB3 ARG 23 - H LYS 75 lone 7 100 - 6 - HB ILE 89 - H LYS 75 lone 6 85 - 7 - 3604/4.6=2, 3068/3.0=1 HB ILE 89 - H LYS 85 poor 5 40 - 12 - 5903/4.7=3, 3605/3.6=2...(4) HB2 ARG 71 - H LYS 85 lone 5 49 - 9 - 4.4/5397=2, 2.8/2928=2 HB3 ARG 71 - H LYS 85 lone 4 49 - 9 - 4.4/5397=2, 2.8/2928=2 HB2 ARG 27 - H LYS 75 lone 4 97 - 4 - HB3 ARG 27 - H LYS 75 lone 4 97 - 4 - HB2 LYS 39 - H LYS 85 lone 4 48 - 8 - 3076=1 HB2 ARG 17 - H LYS 75 lone 3 100 - 2 - HB2 ARG 17 - H LYS 85 lone 2 53 - 4 - HB2 ARG 27 - H LYS 85 lone 1 49 - 2 - HB3 ARG 27 - H LYS 85 lone 1 49 - 2 - HB2 ARG 23 - H LYS 85 lone 1 53 - 2 - HB3 ARG 23 - H LYS 85 lone 1 53 - 2 - Peak 804 from nnoeabs.peaks (1.79, 8.09, 121.69 ppm; 3.56 A): 4 out of 32 assignments used, quality = 0.93: * HB3 LYS 75 + H LYS 75 OK 78 100 - 78 - 4.0=70, 4.6/5410=5...(8) HB2 LYS 85 + H LYS 85 OK 33 44 - 75 - 4.0=68, 386/4.7=4...(11) HB3 LYS 73 + H LYS 75 OK 32 97 - 34 - 325/4.6=4, 1.8/3076=4...(15) HB3 LYS 39 + H LYS 75 OK 31 100 - 31 - 3069/3.0=4, 1.8/3076=4...(14) HB3 ARG 84 - H LYS 85 OK 25 44 - 57 - 4.6=45, 3370/3.6=4...(10) HB2 ARG 69 - H LYS 75 OK 23 92 - 25 - 4.0/5825=5, 4.3/5390=4...(9) HB2 LYS 85 - H LYS 75 OK 22 92 - 24 - 1.8/3443=4, 2.9/5849=3...(8) HB2 LYS 13 - H LYS 75 OK 19 100 - 19 - 3069/3.0=3, 3.0/5849=3...(8) HB2 LYS 83 - H LYS 85 OK 12 52 - 23 - 1.8/3443=4, 368/4.6=3...(9) HB2 LYS 83 - H LYS 75 OK 12 99 - 11 - 1.8/3443=2, 3069/3.0=1...(4) HB3 LYS 75 - H LYS 85 OK 12 54 - 22 - 3.0/3066=4, 1.8/3076=3...(5) HB3 LYS 73 - H LYS 85 OK 11 49 - 23 - 3.0/4008=2, 1.8/3076=2...(8) HB3 LYS 32 - H LYS 75 lone 7 93 - 8 - HB2 LYS 32 - H LYS 75 lone 7 93 - 8 - HB2 LEU 57 - H LYS 75 lone 5 81 - 7 - 2435/4.6=2, 6053/3.6=1 HB2 LYS 13 - H LYS 85 lone 5 54 - 10 - 3425/2.9=1, 3299/4.0=1 HB2 ARG 69 - H LYS 85 poor 5 44 - 11 - 4.3/5390=3, 4.0/5825=2 HB3 ARG 84 - H LYS 75 lone 4 92 - 5 - HB3 LYS 39 - H LYS 85 lone 4 53 - 8 - HB2 PRO 34 - H LYS 75 lone 2 99 - 3 - HB ILE 33 - H LYS 75 lone 2 85 - 3 - HG2 PRO 34 - H LYS 75 lone 2 63 - 3 - HB3 ARG 82 - H LYS 75 lone 2 78 - 2 - HB3 LYS 32 - H LYS 85 lone 2 46 - 4 - HB2 LYS 32 - H LYS 85 lone 2 46 - 4 - HB2 ARG 54 - H LYS 75 lone 2 78 - 2 - HB3 ARG 82 - H LYS 85 lone 1 35 - 3 - HB2 PRO 34 - H LYS 85 lone 1 51 - 2 - HB ILE 33 - H LYS 85 lone 1 40 - 2 - HB2 LEU 57 - H LYS 85 lone 1 37 - 2 - HB2 ARG 54 - H LYS 85 lone 0 35 - 1 - HG2 PRO 34 - H LYS 85 lone 0 27 - 1 - Peak 805 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.50 A): 2 out of 24 assignments used, quality = 1.00: HG3 LYS 75 + H LYS 75 OK 93 100 - 93 - 4.8=81, 2.7/803=14...(19) * HG2 LYS 75 + H LYS 75 OK 93 100 - 93 - 4.8=81, 2.7/803=14...(19) HG3 LYS 73 - H LYS 75 OK 44 100 - 44 - 1.8/5849=6, 2.9/803=5...(16) QB ALA 77 - H LYS 75 OK 43 93 - 46 - 16041/3.6=33, 3989/4.6=4...(8) HG3 LYS 39 - H LYS 75 OK 41 92 - 45 - 1873/3.0=7, 1874/4.0=5...(16) HG2 LYS 85 - H LYS 85 OK 41 48 - 85 - 4.8=80, 3427/2.9=8...(7) HB3 ARG 69 - H LYS 75 OK 37 100 - 37 - 4.0/5825=7, 4.3/5390=6...(11) HG2 LYS 85 - H LYS 75 OK 33 96 - 35 - 1.8/5849=6, 2.9/3443=5...(12) HG3 ARG 69 - H LYS 75 OK 29 95 - 31 - 4.7/5825=6, 3944/4.6=6...(9) HG3 LYS 75 - H LYS 85 OK 19 54 - 36 - 3.9/3066=6, 2.7/3076=4...(16) HG2 LYS 75 - H LYS 85 OK 19 54 - 36 - 3.9/3066=6, 2.7/3076=4...(16) HG3 LYS 73 - H LYS 85 OK 18 54 - 33 - 3.8/4008=3, 3427/2.9=3...(17) HG2 LYS 83 - H LYS 75 OK 12 81 - 15 - 2.9/3443=2, 3.7/802=2...(5) QB ALA 78 - H LYS 75 OK 12 100 - 12 - 6040/3.6=5, 327/4.6=2 HB3 ARG 69 - H LYS 85 OK 10 53 - 19 - 4.3/5390=5, 4.0/5825=4...(4) HG2 LYS 83 - H LYS 85 poor 10 37 - 27 - 2.9/3443=5, 3.7/3423=4...(12) HG3 ARG 69 - H LYS 85 poor 7 47 - 14 - 4.7/5825=3, 2818/4.0=2...(4) QB ALA 20 - H LYS 75 lone 6 96 - 7 - HG3 LYS 39 - H LYS 85 poor 6 44 - 14 - 5895/4.7=2, 1873/2.9=1...(4) QB ALA 53 - H LYS 75 lone 5 100 - 5 - QB ALA 77 - H LYS 85 lone 3 46 - 6 - QB ALA 78 - H LYS 85 lone 2 54 - 4 - QB ALA 20 - H LYS 85 lone 2 48 - 4 - QB ALA 53 - H LYS 85 lone 2 53 - 3 - Peak 806 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.50 A): 2 out of 24 assignments used, quality = 1.00: * HG3 LYS 75 + H LYS 75 OK 93 100 - 93 - 4.8=81, 2.7/803=14...(19) HG2 LYS 75 + H LYS 75 OK 93 100 - 93 - 4.8=81, 2.7/803=14...(19) HG3 LYS 73 - H LYS 75 OK 44 100 - 44 - 1.8/5849=6, 2.9/803=5...(16) QB ALA 77 - H LYS 75 OK 43 93 - 46 - 16041/3.6=33, 3989/4.6=4...(8) HG3 LYS 39 - H LYS 75 OK 41 92 - 45 - 1873/3.0=7, 1874/4.0=5...(16) HG2 LYS 85 - H LYS 85 OK 41 48 - 85 - 4.8=80, 3427/2.9=8...(7) HB3 ARG 69 - H LYS 75 OK 37 100 - 37 - 4.0/5825=7, 4.3/5390=6...(11) HG2 LYS 85 - H LYS 75 OK 33 96 - 35 - 1.8/5849=6, 2.9/3443=5...(12) HG3 ARG 69 - H LYS 75 OK 29 95 - 31 - 4.7/5825=6, 3944/4.6=6...(9) HG3 LYS 75 - H LYS 85 OK 19 54 - 36 - 3.9/3066=6, 2.7/3076=4...(16) HG2 LYS 75 - H LYS 85 OK 19 54 - 36 - 3.9/3066=6, 2.7/3076=4...(16) HG3 LYS 73 - H LYS 85 OK 18 54 - 33 - 3.8/4008=3, 3427/2.9=3...(17) HG2 LYS 83 - H LYS 75 OK 12 81 - 15 - 2.9/3443=2, 3.7/802=2...(5) QB ALA 78 - H LYS 75 OK 12 100 - 12 - 6040/3.6=5, 327/4.6=2 HB3 ARG 69 - H LYS 85 OK 10 53 - 19 - 4.3/5390=5, 4.0/5825=4...(4) HG2 LYS 83 - H LYS 85 poor 10 37 - 27 - 2.9/3443=5, 3.7/3423=4...(12) HG3 ARG 69 - H LYS 85 poor 7 47 - 14 - 4.7/5825=3, 2818/4.0=2...(4) QB ALA 20 - H LYS 75 lone 6 96 - 7 - HG3 LYS 39 - H LYS 85 poor 6 44 - 14 - 5895/4.7=2, 1873/2.9=1...(4) QB ALA 53 - H LYS 75 lone 5 100 - 5 - QB ALA 77 - H LYS 85 lone 3 46 - 6 - QB ALA 78 - H LYS 85 lone 2 54 - 4 - QB ALA 20 - H LYS 85 lone 2 48 - 4 - QB ALA 53 - H LYS 85 lone 2 53 - 3 - Peak 811 from nnoeabs.peaks (7.96, 7.96, 120.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + H VAL 76 OK 100 100 - 100 Peak 812 from nnoeabs.peaks (3.97, 7.96, 120.67 ppm; 3.44 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 76 + H VAL 76 OK 100 100 - 100 - 3.0=100 HA ALA 28 - H VAL 76 OK 22 97 - 23 - 3.0/5411=4, 3761=4...(8) HA2 GLY 72 - H VAL 76 OK 16 100 - 17 - 6034/4.6=3, 4796/3.9=2...(6) HA LYS 32 - H VAL 76 OK 15 98 - 16 - 1554=3, 3.0/341=1...(5) HA ARG 66 - H VAL 76 OK 14 98 - 14 - 5378=2 HA GLN 61 - H VAL 76 OK 12 100 - 11 - 3.6/933=1 HA GLU 50 - H VAL 76 OK 10 100 - 10 - 3.0/813=1, 3.0/813=1 HA2 GLY 21 - H VAL 76 lone 6 90 - 7 - 349/4.5=1 HA3 GLY 21 - H VAL 76 lone 6 89 - 7 - 349/4.5=1 Peak 813 from nnoeabs.peaks (2.04, 7.96, 120.67 ppm; 3.16 A): 3 out of 16 assignments used, quality = 0.85: * HB VAL 76 + H VAL 76 OK 69 100 - 69 - 4.0=51, 2.1/814=11...(7) HD2 ARG 69 + H VAL 76 OK 30 93 - 32 - 3.0/3943=4, 3.0/3944=4...(16) HD3 ARG 69 + H VAL 76 OK 30 93 - 32 - 3.0/3943=4, 3.0/3944=4...(16) HB3 MET 31 - H VAL 76 poor 10 68 - 14 - 3.0/3771=2, 1.8/3772=1...(8) HB2 GLU 50 - H VAL 76 lone 7 100 - 7 - 3158/3.0=1, 3.0/812=1 HB3 GLU 50 - H VAL 76 lone 7 100 - 7 - 3158/3.0=1, 3.0/812=1 HB2 GLU 25 - H VAL 76 lone 4 98 - 4 - HB3 GLU 25 - H VAL 76 lone 4 97 - 4 - HB VAL 90 - H VAL 76 lone 3 68 - 5 - HG2 PRO 44 - H VAL 76 lone 2 100 - 2 - HB3 GLU 19 - H VAL 76 lone 2 99 - 2 - HB2 GLU 87 - H VAL 76 lone 1 95 - 1 - HB3 PRO 56 - H VAL 76 lone 1 95 - 1 - HG2 PRO 56 - H VAL 76 lone 1 99 - 1 - HB3 GLN 91 - H VAL 76 lone 1 100 - 1 - HB VAL 45 - H VAL 76 lone 1 81 - 1 - Peak 814 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 5 out of 10 assignments used, quality = 0.94: QG2 VAL 76 + H VAL 76 OK 70 100 - 70 - 3.9=50, 2.1/813=12...(8) * QG1 VAL 76 + H VAL 76 OK 70 100 - 70 - 3.9=50, 2.1/813=12...(8) HG12 ILE 68 + H VAL 76 OK 16 100 - 16 - 5.0/940=3, 1.8/5817=2 QG2 ILE 40 + H VAL 76 OK 15 98 - 15 - 4326=2, 4303/4.6=1...(4) QG2 VAL 41 + H VAL 76 OK 14 93 - 16 - 4336/3.0=2, 4337/3.6=2, 4328=1 QD2 LEU 62 - H VAL 76 lone 7 98 - 7 - QG1 VAL 90 - H VAL 76 lone 4 81 - 5 - QG2 VAL 90 - H VAL 76 lone 4 78 - 5 - QD2 LEU 43 - H VAL 76 lone 2 73 - 3 - HG LEU 51 - H VAL 76 lone 2 60 - 3 - Peak 815 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 5 out of 10 assignments used, quality = 0.94: * QG2 VAL 76 + H VAL 76 OK 70 100 - 70 - 3.9=50, 2.1/813=12...(8) QG1 VAL 76 + H VAL 76 OK 70 100 - 70 - 3.9=50, 2.1/813=12...(8) HG12 ILE 68 + H VAL 76 OK 16 100 - 16 - 5.0/940=3, 1.8/5817=2 QG2 ILE 40 + H VAL 76 OK 15 98 - 15 - 4326=2, 4303/4.6=1...(4) QG2 VAL 41 + H VAL 76 OK 14 93 - 16 - 4336/3.0=2, 4337/3.6=2, 4328=1 QD2 LEU 62 - H VAL 76 lone 7 98 - 7 - QG1 VAL 90 - H VAL 76 lone 4 81 - 5 - QG2 VAL 90 - H VAL 76 lone 4 78 - 5 - QD2 LEU 43 - H VAL 76 lone 2 73 - 3 - HG LEU 51 - H VAL 76 lone 2 60 - 3 - Peak 816 from nnoeabs.peaks (8.23, 8.23, 126.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 77 + H ALA 77 OK 100 100 - 100 Peak 817 from nnoeabs.peaks (4.23, 8.23, 126.87 ppm; 3.52 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 77 + H ALA 77 OK 100 100 - 100 - 3.0=100 HA ALA 78 - H ALA 77 OK 29 63 - 46 - 2.9/5857=12, 2.1/818=6...(16) HA LYS 75 - H ALA 77 OK 27 97 - 28 - 3.6/5411=11, 4.7/349=10...(4) HA LYS 85 - H ALA 77 lone 6 100 - 6 - 3.0/5993=1 HA LYS 83 - H ALA 77 lone 6 98 - 6 - 3.0/5993=1 HA ALA 20 - H ALA 77 lone 5 65 - 8 - 2.1/818=1 HA THR 15 - H ALA 77 lone 5 96 - 5 - HB THR 37 - H ALA 77 lone 5 97 - 5 - HA LYS 39 - H ALA 77 lone 4 90 - 5 - 339/4.5=2, 5856/3.6=1 HA LEU 64 - H ALA 77 lone 4 68 - 6 - 339/4.5=1, 5856/3.6=1 HA GLU 19 - H ALA 77 lone 3 76 - 4 - HA ALA 12 - H ALA 77 lone 2 73 - 3 - Peak 818 from nnoeabs.peaks (1.38, 8.23, 126.87 ppm; 3.02 A): 1 out of 13 assignments used, quality = 1.00: * QB ALA 77 + H ALA 77 OK 100 100 - 100 - 2.9=100 QB ALA 78 - H ALA 77 OK 36 96 - 38 - 2.9/5857=8, 2.1/3990=5...(14) HG3 ARG 69 - H ALA 77 OK 16 100 - 16 - 3944/4.5=3, 5435/3.6=2...(8) HB3 ARG 69 - H ALA 77 OK 13 85 - 16 - 4766/3.6=2, 3942/4.5=2...(9) HG2 LYS 75 - H ALA 77 OK 13 93 - 14 - 4.9/5411=5, 3.9/817=2 HG3 LYS 75 - H ALA 77 OK 13 93 - 14 - 4.9/5411=5, 3.9/817=2 QB ALA 20 - H ALA 77 lone 7 100 - 7 - 5412=1 HG3 LYS 73 - H ALA 77 lone 6 96 - 7 - 5435/3.6=1 HG2 LYS 85 - H ALA 77 lone 5 100 - 5 - HG2 LYS 83 - H ALA 77 lone 3 99 - 3 - QB ALA 53 - H ALA 77 lone 3 89 - 3 - 4962/3.6=1 QB ALA 16 - H ALA 77 lone 3 90 - 3 - HG3 LYS 39 - H ALA 77 lone 1 60 - 2 - Peak 819 from nnoeabs.peaks (8.15, 8.15, 122.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 78 + H ALA 78 OK 100 100 - 100 Peak 820 from nnoeabs.peaks (4.21, 8.15, 122.77 ppm; 3.22 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 78 + H ALA 78 OK 100 100 - 100 - 2.9=100 HA ALA 77 + H ALA 78 OK 54 65 - 82 - 3.6=73, 2.1/355=13...(10) HA GLN 79 - H ALA 78 OK 22 98 - 23 - 3.0/5857=8, 5446/2.9=7...(5) HA LYS 73 - H ALA 78 lone 5 69 - 8 - 3.0/944=1, 3963=1 HA LYS 85 - H ALA 78 lone 2 76 - 3 - HA ARG 84 - H ALA 78 lone 2 78 - 2 - HB THR 37 - H ALA 78 lone 1 89 - 1 - Peak 821 from nnoeabs.peaks (1.39, 8.15, 122.77 ppm; 2.85 A): 2 out of 13 assignments used, quality = 0.97: * QB ALA 78 + H ALA 78 OK 93 100 - 93 - 2.9=92, 3.6/5857=5...(6) QB ALA 77 + H ALA 78 OK 63 96 - 66 - 3.6=51, 2.1/354=13...(6) HG3 LYS 73 - H ALA 78 lone 5 100 - 5 - HG2 LYS 75 - H ALA 78 lone 4 100 - 4 - HG3 LYS 75 - H ALA 78 lone 4 100 - 4 - QB ALA 20 - H ALA 78 lone 3 97 - 3 - HG2 LYS 85 - H ALA 78 lone 3 97 - 3 - HB3 ARG 69 - H ALA 78 lone 3 99 - 3 - HG3 ARG 69 - H ALA 78 lone 2 97 - 3 - QB ALA 53 - H ALA 78 lone 1 100 - 1 - HG2 LYS 83 - H ALA 78 lone 1 85 - 2 - HG3 LYS 39 - H ALA 78 lone 1 89 - 1 - QB ALA 16 - H ALA 78 lone 1 63 - 1 - Peak 822 from nnoeabs.peaks (8.22, 8.22, 118.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 79 + H GLN 79 OK 100 100 - 100 Peak 823 from nnoeabs.peaks (4.20, 8.22, 118.71 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 79 + H GLN 79 OK 100 100 - 100 - 3.0=100 HA ALA 78 + H GLN 79 OK 98 98 - 100 - 3.6=100 HA ARG 82 - H GLN 79 OK 16 81 - 20 - ~6050=4, 5445=3, ~5473=2...(9) HA LYS 73 - H GLN 79 OK 10 87 - 12 - 16037/3985=1, 3.8/358=1 HA ARG 84 - H GLN 79 lone 9 94 - 9 - 5421/4.6=1 HB THR 37 - H GLN 79 lone 2 68 - 3 - HA ILE 89 - H GLN 79 lone 2 63 - 3 - Peak 824 from nnoeabs.peaks (1.97, 8.22, 118.71 ppm; 3.73 A): 2 out of 11 assignments used, quality = 0.93: * HB2 GLN 79 + H GLN 79 OK 86 100 - 86 - 4.0=78, 3.0/5415=11...(7) HB3 GLN 79 + H GLN 79 OK 53 63 - 85 - 4.0=78, 3.0/5415=11...(6) HB2 LEU 64 - H GLN 79 lone 5 100 - 5 - 3.1/5013=1 HG3 PRO 14 - H GLN 79 lone 4 87 - 4 - HG2 PRO 14 - H GLN 79 lone 4 87 - 4 - HB3 ARG 66 - H GLN 79 lone 4 71 - 5 - 3190/3.0=1 HG LEU 57 - H GLN 79 lone 3 96 - 3 - 2449/4.6=1 HB3 ARG 70 - H GLN 79 lone 3 96 - 3 - HB2 ARG 70 - H GLN 79 lone 3 96 - 3 - QE MET 31 - H GLN 79 lone 2 76 - 2 - HG LEU 43 - H GLN 79 lone 1 78 - 2 - Peak 830 from nnoeabs.peaks (8.31, 8.31, 123.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 83 + H LYS 83 OK 100 100 - 100 Peak 831 from nnoeabs.peaks (4.24, 8.31, 123.08 ppm; 3.35 A): 1 out of 11 assignments used, quality = 1.00: * HA LYS 83 + H LYS 83 OK 100 100 - 100 - 2.9=100 HA LYS 85 - H LYS 83 OK 20 93 - 22 - 3.0/3297=4, 3277=3...(8) HA LYS 75 - H LYS 83 lone 9 100 - 9 - 3.0/3287=1 HA GLU 19 - H LYS 83 lone 9 93 - 9 - 1206=2, 3.0/1218=1, 3.0/1212=1 HA LYS 39 - H LYS 83 lone 7 99 - 7 - 3.0/3287=1 HA THR 15 - H LYS 83 lone 6 100 - 6 - 1128/4.6=1 HA LEU 64 - H LYS 83 lone 5 89 - 5 - HA ALA 77 - H LYS 83 lone 3 97 - 3 - HA ALA 20 - H LYS 83 lone 2 87 - 3 - HA ALA 12 - H LYS 83 lone 1 92 - 1 - HB THR 37 - H LYS 83 lone 1 83 - 1 - Peak 832 from nnoeabs.peaks (1.78, 8.31, 123.08 ppm; 4.03 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 83 + H LYS 83 OK 100 100 - 100 - 4.0=100 HB3 ARG 82 + H LYS 83 OK 73 90 - 81 - 4.4=75, 1.8/833=10...(5) HB2 LYS 85 - H LYS 83 OK 26 81 - 33 - 1.8/3297=7, 3.0/831=4...(13) HB3 LYS 73 - H LYS 83 OK 22 100 - 22 - 3287=3, 3.0/359=2...(7) HB3 ARG 84 - H LYS 83 OK 16 81 - 20 - 368/4.6=4, 1.8/833=3...(8) HB3 LYS 75 - H LYS 83 OK 16 99 - 16 - 3287=2, 3.0/831=2...(5) HB3 LYS 39 - H LYS 83 OK 14 100 - 14 - 3287=2, 3.0/831=1...(4) HB2 ARG 54 - H LYS 83 lone 7 90 - 8 - 5476/4.6=2, 6051/3.6=2 HB2 LYS 13 - H LYS 83 lone 7 99 - 7 - HB3 LYS 32 - H LYS 83 lone 7 99 - 7 - HB2 LYS 32 - H LYS 83 lone 7 99 - 7 - HB2 PRO 34 - H LYS 83 lone 5 100 - 5 - 6123/4.6=1 HG2 PRO 34 - H LYS 83 lone 4 78 - 4 - HB2 ARG 69 - H LYS 83 lone 3 81 - 4 - HB ILE 33 - H LYS 83 lone 2 95 - 2 - HB2 LEU 57 - H LYS 83 lone 2 92 - 2 - Peak 833 from nnoeabs.peaks (1.72, 8.31, 123.08 ppm; 3.92 A): 2 out of 11 assignments used, quality = 0.97: * HB3 LYS 83 + H LYS 83 OK 94 100 - 94 - 4.0=92, 1.8/361=13...(7) HB2 ARG 82 + H LYS 83 OK 58 76 - 77 - 4.4=69, 1.8/361=12...(5) HB3 LYS 85 - H LYS 83 OK 33 100 - 34 - 3297=7, 3.0/831=4...(12) HB2 ARG 84 - H LYS 83 OK 19 98 - 19 - 369/4.6=5, 3.0/5896=3...(8) HB2 LEU 29 - H LYS 83 OK 11 100 - 11 - 1.8/5896=2, 1484/3.6=2...(5) HB3 LEU 64 - H LYS 83 lone 8 83 - 9 - 2630/5.0=1, 3229/3.6=1...(4) HB2 LEU 43 - H LYS 83 lone 5 99 - 5 - HG2 ARG 70 - H LYS 83 lone 3 98 - 3 - HB3 ARG 17 - H LYS 83 lone 2 68 - 3 - HB2 LEU 62 - H LYS 83 lone 1 60 - 2 - HG3 ARG 66 - H LYS 83 lone 1 78 - 2 - Peak 840 from nnoeabs.peaks (8.20, 8.20, 122.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ARG 84 + H ARG 84 OK 100 100 - 100 H ALA 28 + H ALA 28 OK 76 76 - 100 Peak 841 from nnoeabs.peaks (4.18, 8.20, 122.31 ppm; 3.34 A): 1 out of 18 assignments used, quality = 1.00: * HA ARG 84 + H ARG 84 OK 100 100 - 100 - 3.0=100 HA LEU 29 - H ALA 28 OK 19 57 - 34 - 3.0/76=11, ~78=5...(10) HA LYS 73 - H ARG 84 OK 17 99 - 17 - 3367=2, 377/4.6=2...(5) HA LEU 29 - H ARG 84 OK 15 73 - 20 - 3.0/76=4, 3.6/5538=2...(6) HA ILE 89 - H ARG 84 OK 14 92 - 16 - 3599/4.0=1, 3597=1...(6) HA ARG 82 - H ARG 84 OK 10 99 - 11 - 5445=1, 6062/4.3=1 HB THR 15 - H ARG 84 lone 9 89 - 10 - 1132=2, 3.0/1128=1...(4) HA ILE 89 - H ALA 28 lone 6 74 - 9 - 3597/4.6=2, 3.2/4171=1, ~4177=1 HA ARG 84 - H ALA 28 lone 6 86 - 7 - HA GLN 79 - H ARG 84 lone 6 95 - 6 - 5445=1 HA LYS 73 - H ALA 28 lone 6 84 - 7 - HB THR 15 - H ALA 28 lone 5 71 - 6 - 2.1/1136=1, 3.0/1128=1...(4) HA GLN 79 - H ALA 28 lone 3 77 - 4 - HA ALA 78 - H ARG 84 lone 2 78 - 3 - HA ALA 53 - H ALA 28 lone 2 63 - 3 - HA ARG 82 - H ALA 28 lone 2 83 - 2 - HA ALA 53 - H ARG 84 lone 2 81 - 2 - HA ALA 78 - H ALA 28 lone 1 61 - 2 - Peak 842 from nnoeabs.peaks (1.73, 8.20, 122.31 ppm; 3.67 A): 2 out of 22 assignments used, quality = 0.96: * HB2 ARG 84 + H ARG 84 OK 87 100 - 87 - 4.0=79, 1.8/843=10...(17) HB3 LYS 83 + H ARG 84 OK 70 98 - 71 - 4.3=63, 833/4.6=6...(6) HB3 LYS 85 - H ARG 84 OK 30 100 - 30 - 378/4.6=5, 6062/3.0=4...(11) HB2 LEU 29 - H ALA 28 OK 25 81 - 31 - 4.0/76=10, 4.6/5538=5...(10) HB2 LEU 29 - H ARG 84 OK 22 97 - 22 - 4.0/76=3, 1484/3.0=2...(7) HB3 LEU 64 - H ALA 28 OK 15 45 - 34 - 3.1/5013=6, 3.1/5015=6...(12) HG3 ARG 26 - H ALA 28 OK 11 61 - 19 - 4.9/54=3, 65/4.6=2...(9) HB3 ARG 17 - H ARG 84 lone 8 89 - 9 - HB2 LEU 43 - H ALA 28 lone 8 86 - 9 - 546/4.6=2, 3.1/4171=1, ~4173=1 HB2 ARG 84 - H ALA 28 lone 7 86 - 8 - 546/4.6=2 HG2 ARG 70 - H ARG 84 lone 6 87 - 7 - 5488/4.6=2 HG3 ARG 71 - H ALA 28 poor 6 54 - 12 - 65/4.6=2, 3.8/5347=1...(4) HG3 ARG 71 - H ARG 84 lone 6 71 - 8 - HB2 LEU 43 - H ARG 84 lone 6 100 - 5 - HB2 LEU 62 - H ALA 28 lone 5 65 - 8 - 3907/4.6=2, ~5321=1, ~5004=1 HB3 ARG 17 - H ALA 28 lone 5 71 - 7 - 5890/4.6=1 HB3 LEU 64 - H ARG 84 lone 4 60 - 7 - 3.1/5015=1, 3.1/5013=1 HB2 LEU 62 - H ARG 84 lone 4 83 - 5 - HG3 ARG 26 - H ARG 84 lone 4 78 - 5 - HG2 ARG 70 - H ALA 28 lone 3 69 - 5 - 546/4.6=1 HB3 LYS 85 - H ALA 28 lone 3 85 - 3 - HB3 LYS 83 - H ALA 28 lone 3 82 - 3 - Peak 843 from nnoeabs.peaks (1.80, 8.20, 122.31 ppm; 3.80 A): 2 out of 26 assignments used, quality = 0.97: * HB3 ARG 84 + H ARG 84 OK 92 100 - 92 - 4.0=88, 1.8/842=10...(14) HB2 LYS 83 + H ARG 84 OK 61 81 - 76 - 4.3=70, 1.8/369=8...(6) HB2 LYS 85 - H ARG 84 OK 26 100 - 27 - 379/4.6=4, 1.8/842=3...(10) HB ILE 89 - H ARG 84 OK 17 81 - 21 - 3605/3.0=3, 3.0/841=2...(12) HB3 LYS 32 - H ALA 28 OK 16 45 - 36 - 2.9/543=3, ~4180=3...(21) HB2 LYS 32 - H ALA 28 OK 16 45 - 36 - 2.9/543=3, ~4180=3...(21) HB2 LYS 73 - H ARG 84 OK 15 83 - 18 - 3.0/841=2, 2969/3.0=2...(4) HB3 LYS 73 - H ARG 84 OK 12 71 - 18 - 3.0/841=2, 3378/4.0=1...(5) HB3 LYS 75 - H ARG 84 lone 9 92 - 10 - 3.0/367=1 HB ILE 89 - H ALA 28 poor 9 63 - 14 - 3604/4.6=2, 2.1/4171=2...(5) HB2 ARG 69 - H ALA 28 lone 8 86 - 9 - 3941/4.6=1, 5047/3.0=1 HB3 LYS 39 - H ARG 84 lone 6 83 - 7 - HB3 ARG 84 - H ALA 28 lone 5 86 - 6 - HB2 LYS 32 - H ARG 84 lone 5 60 - 9 - HB3 LYS 32 - H ARG 84 lone 5 60 - 9 - HB2 ARG 69 - H ARG 84 lone 5 100 - 5 - HB3 LYS 75 - H ALA 28 lone 5 74 - 6 - 4.6/5411=2 HB2 LYS 13 - H ARG 84 lone 4 95 - 4 - HB2 LYS 73 - H ALA 28 lone 4 65 - 6 - HB3 LYS 39 - H ALA 28 lone 3 65 - 5 - HB3 LYS 73 - H ALA 28 lone 3 54 - 5 - HB2 PRO 34 - H ALA 28 lone 3 59 - 5 - HB2 LYS 85 - H ALA 28 lone 2 86 - 3 - HB2 PRO 34 - H ARG 84 lone 2 76 - 3 - HB2 LYS 13 - H ALA 28 lone 2 77 - 2 - HB2 LYS 83 - H ALA 28 lone 2 63 - 2 - Peak 844 from nnoeabs.peaks (1.59, 8.20, 122.31 ppm; 4.12 A): 2 out of 40 assignments used, quality = 0.94: HG3 ARG 84 + H ARG 84 OK 75 100 - 75 - 5.0=55, 3.0/843=9...(17) * HG2 ARG 84 + H ARG 84 OK 75 100 - 75 - 5.0=55, 3.0/843=9...(17) HB3 LEU 29 - H ALA 28 OK 28 77 - 37 - 4.0/76=13, 4.6/5538=7...(10) HB3 LEU 29 - H ARG 84 OK 24 95 - 26 - 4.0/76=4, 1.8/369=3...(10) HD2 LYS 32 - H ALA 28 OK 22 71 - 32 - 3.0/543=4, ~1472=3...(15) HD3 LYS 32 - H ALA 28 OK 21 67 - 32 - 3.0/543=4, ~1472=3...(15) HD2 LYS 73 - H ARG 84 OK 15 89 - 17 - 5896/4.6=2, 5.2/841=1...(7) HD3 LYS 73 - H ARG 84 OK 15 89 - 17 - 5896/4.6=2, 5.2/841=1...(7) HG LEU 86 - H ALA 28 OK 12 85 - 14 - 547/4.6=2, ~4177=2...(6) HG2 ARG 26 - H ALA 28 poor 10 48 - 21 - 4.9/54=4, ~4837=3...(10) HB3 LEU 62 - H ALA 28 poor 9 85 - 11 - 547/4.6=3, ~5321=1...(4) HG2 ARG 17 - H ARG 84 poor 8 71 - 12 - 2.9/5890=1 HD2 LYS 32 - H ARG 84 lone 8 89 - 9 - HB3 LEU 51 - H ALA 28 lone 8 84 - 9 - ~1472=1, 2225/2.9=1...(4) HG3 ARG 17 - H ARG 84 poor 8 68 - 12 - 2.9/5890=1 HD3 LYS 32 - H ARG 84 lone 8 85 - 9 - HD2 LYS 39 - H ARG 84 lone 7 97 - 7 - 5896/4.6=1 HB2 LEU 86 - H ALA 28 poor 7 63 - 10 - ~5321=2, ~4177=2...(5) HD3 LYS 39 - H ARG 84 lone 7 97 - 7 - 5896/4.6=1 HG2 ARG 71 - H ALA 28 poor 7 52 - 13 - 3.8/5347=2, 2.8/71=1, 2.8/71=1 HB3 LEU 62 - H ARG 84 lone 6 100 - 6 - HG2 ARG 71 - H ARG 84 lone 6 68 - 8 - HG LEU 86 - H ARG 84 lone 6 100 - 5 - HG3 ARG 84 - H ALA 28 lone 5 86 - 6 - 547/4.6=1 HG2 ARG 84 - H ALA 28 lone 5 86 - 6 - 547/4.6=1 HG3 ARG 70 - H ARG 84 lone 5 85 - 6 - HG LEU 62 - H ALA 28 lone 4 50 - 9 - 547/4.6=2, ~5004=2 HD3 LYS 39 - H ALA 28 lone 4 80 - 5 - HD2 LYS 39 - H ALA 28 lone 4 81 - 5 - HD3 LYS 73 - H ALA 28 lone 4 71 - 6 - HD2 LYS 73 - H ALA 28 lone 4 71 - 6 - HB2 LEU 86 - H ARG 84 lone 4 81 - 4 - HG2 ARG 26 - H ARG 84 lone 4 63 - 6 - HG LEU 62 - H ARG 84 lone 3 65 - 5 - HG2 ARG 17 - H ALA 28 lone 3 54 - 6 - HG3 ARG 17 - H ALA 28 lone 3 52 - 6 - HG3 ARG 54 - H ALA 28 lone 3 71 - 4 - HG3 ARG 70 - H ALA 28 lone 3 67 - 4 - HB3 LEU 51 - H ARG 84 lone 3 99 - 3 - HG3 ARG 54 - H ARG 84 lone 3 89 - 3 - Peak 845 from nnoeabs.peaks (1.59, 8.20, 122.31 ppm; 4.12 A): 2 out of 40 assignments used, quality = 0.94: * HG3 ARG 84 + H ARG 84 OK 75 100 - 75 - 5.0=55, 3.0/843=9...(17) HG2 ARG 84 + H ARG 84 OK 75 100 - 75 - 5.0=55, 3.0/843=9...(17) HB3 LEU 29 - H ALA 28 OK 28 77 - 37 - 4.0/76=13, 4.6/5538=7...(10) HB3 LEU 29 - H ARG 84 OK 24 95 - 26 - 4.0/76=4, 1.8/369=3...(10) HD2 LYS 32 - H ALA 28 OK 22 71 - 32 - 3.0/543=4, ~1472=3...(15) HD3 LYS 32 - H ALA 28 OK 21 67 - 32 - 3.0/543=4, ~1472=3...(15) HD2 LYS 73 - H ARG 84 OK 15 89 - 17 - 5896/4.6=2, 5.2/841=1...(7) HD3 LYS 73 - H ARG 84 OK 15 89 - 17 - 5896/4.6=2, 5.2/841=1...(7) HG LEU 86 - H ALA 28 OK 12 85 - 14 - 547/4.6=2, ~4177=2...(6) HG2 ARG 26 - H ALA 28 poor 10 48 - 21 - 4.9/54=4, ~4837=3...(10) HB3 LEU 62 - H ALA 28 poor 9 85 - 11 - 547/4.6=3, ~5321=1...(4) HG2 ARG 17 - H ARG 84 poor 8 71 - 12 - 2.9/5890=1 HD2 LYS 32 - H ARG 84 lone 8 89 - 9 - HB3 LEU 51 - H ALA 28 lone 8 84 - 9 - ~1472=1, 2225/2.9=1...(4) HG3 ARG 17 - H ARG 84 poor 8 68 - 12 - 2.9/5890=1 HD3 LYS 32 - H ARG 84 lone 8 85 - 9 - HD2 LYS 39 - H ARG 84 lone 7 97 - 7 - 5896/4.6=1 HB2 LEU 86 - H ALA 28 poor 7 63 - 10 - ~5321=2, ~4177=2...(5) HD3 LYS 39 - H ARG 84 lone 7 97 - 7 - 5896/4.6=1 HG2 ARG 71 - H ALA 28 poor 7 52 - 13 - 3.8/5347=2, 2.8/71=1, 2.8/71=1 HB3 LEU 62 - H ARG 84 lone 6 100 - 6 - HG2 ARG 71 - H ARG 84 lone 6 68 - 8 - HG LEU 86 - H ARG 84 lone 6 100 - 5 - HG3 ARG 84 - H ALA 28 lone 5 86 - 6 - 547/4.6=1 HG2 ARG 84 - H ALA 28 lone 5 86 - 6 - 547/4.6=1 HG3 ARG 70 - H ARG 84 lone 5 85 - 6 - HG LEU 62 - H ALA 28 lone 4 50 - 9 - 547/4.6=2, ~5004=2 HD3 LYS 39 - H ALA 28 lone 4 80 - 5 - HD2 LYS 39 - H ALA 28 lone 4 81 - 5 - HD3 LYS 73 - H ALA 28 lone 4 71 - 6 - HD2 LYS 73 - H ALA 28 lone 4 71 - 6 - HB2 LEU 86 - H ARG 84 lone 4 81 - 4 - HG2 ARG 26 - H ARG 84 lone 4 63 - 6 - HG LEU 62 - H ARG 84 lone 3 65 - 5 - HG2 ARG 17 - H ALA 28 lone 3 54 - 6 - HG3 ARG 17 - H ALA 28 lone 3 52 - 6 - HG3 ARG 54 - H ALA 28 lone 3 71 - 4 - HG3 ARG 70 - H ALA 28 lone 3 67 - 4 - HB3 LEU 51 - H ARG 84 lone 3 99 - 3 - HG3 ARG 54 - H ARG 84 lone 3 89 - 3 - Peak 848 from nnoeabs.peaks (8.11, 8.11, 122.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 85 + H LYS 85 OK 100 100 - 100 H LYS 75 + H LYS 75 OK 46 46 - 100 Peak 849 from nnoeabs.peaks (4.23, 8.11, 122.06 ppm; 4.05 A): 1 out of 20 assignments used, quality = 1.00: * HA LYS 85 + H LYS 85 OK 100 100 - 100 - 2.9=100 HA LYS 75 - H LYS 75 OK 44 44 - 100 - 3.0=100 HA LYS 83 - H LYS 85 OK 35 93 - 38 - 4.7/377=12, 3423=5...(15) HA LYS 75 - H LYS 85 OK 26 92 - 29 - 3066=7, 3.0/3076=3...(11) HA LYS 85 - H LYS 75 OK 15 54 - 28 - 3423=5, 3.0/3443=4...(13) HA LYS 39 - H LYS 75 OK 13 37 - 35 - 1834/4.0=5, 3.0/3076=4...(15) HA ALA 77 - H LYS 75 poor 10 53 - 18 - 339/4.6=4, 3988/4.6=4...(5) HA LYS 39 - H LYS 85 lone 8 81 - 10 - 385/4.7=1 HA LYS 83 - H LYS 75 poor 7 46 - 15 - 3.0/3443=2, 3423=2 HA THR 15 - H LYS 85 lone 7 89 - 7 - 1130/3.6=2, 1128/4.6=1 HA ALA 77 - H LYS 85 lone 5 100 - 5 - HA ALA 78 - H LYS 85 lone 3 76 - 4 - HA GLU 19 - H LYS 85 lone 3 63 - 4 - HB THR 37 - H LYS 85 lone 2 99 - 2 - HA ALA 78 - H LYS 75 lone 2 34 - 6 - 3182/4.6=1 HB THR 37 - H LYS 75 lone 2 52 - 3 - HA ALA 12 - H LYS 85 lone 2 60 - 3 - HA THR 15 - H LYS 75 lone 1 42 - 3 - HA GLU 19 - H LYS 75 lone 1 27 - 3 - HA ALA 12 - H LYS 75 lone 1 26 - 2 - Peak 850 from nnoeabs.peaks (1.80, 8.11, 122.06 ppm; 3.80 A): 2 out of 26 assignments used, quality = 0.97: * HB2 LYS 85 + H LYS 85 OK 88 100 - 88 - 4.0=82, 1.8/378=11...(11) HB3 ARG 84 + H LYS 85 OK 72 100 - 72 - 4.6=55, 3.0/377=16...(13) HB3 LYS 75 - H LYS 75 OK 39 44 - 89 - 4.0=86, 341/4.6=4...(8) HB2 LYS 73 - H LYS 85 OK 24 83 - 29 - 3.0/377=3, 2.9/853=2...(14) HB3 LYS 75 - H LYS 85 OK 22 92 - 24 - 3.0/3066=5, 1.8/3076=3...(8) HB2 LYS 83 - H LYS 85 OK 21 81 - 26 - 1.8/3443=5, 843/4.6=3...(11) HB3 LYS 73 - H LYS 85 OK 19 71 - 27 - 3.0/377=3, 1.8/3076=2...(12) HB2 ARG 69 - H LYS 75 OK 15 54 - 28 - 4.0/5825=5, 3941/4.6=5...(8) HB2 ARG 69 - H LYS 85 OK 15 100 - 14 - 4.3/5390=4, 4.0/5825=3 HB2 LYS 85 - H LYS 75 OK 14 54 - 27 - 1.8/3443=4, 3.0/3423=3...(9) HB ILE 89 - H LYS 85 OK 12 81 - 15 - 5903/4.7=3, 3605/3.6=2...(7) HB2 LYS 73 - H LYS 75 OK 12 38 - 32 - 324/4.6=6, 3.0/4008=3...(12) HB3 LYS 39 - H LYS 75 OK 12 38 - 31 - 3069/3.0=4, 1.8/3076=4...(13) HB2 LYS 13 - H LYS 85 OK 10 95 - 11 - 3425/2.9=1, 3.0/853=1...(5) HB3 LYS 73 - H LYS 75 OK 10 31 - 33 - 1.8/3076=4, 3069/3.0=3...(15) HB3 LYS 39 - H LYS 85 lone 8 83 - 10 - 386/4.7=1 HB2 LYS 13 - H LYS 75 poor 7 47 - 16 - 3069/3.0=3, ~3073=2...(6) HB2 LYS 83 - H LYS 75 poor 5 37 - 12 - 1.8/3443=2, 3069/3.0=1...(4) HB3 ARG 84 - H LYS 75 lone 3 54 - 6 - 3.0/4008=1 HB2 LYS 32 - H LYS 85 lone 3 60 - 4 - HB3 LYS 32 - H LYS 85 lone 3 60 - 4 - HB2 PRO 34 - H LYS 85 lone 2 76 - 3 - HB ILE 89 - H LYS 75 lone 2 37 - 5 - 3604/4.6=2 HB3 LYS 32 - H LYS 75 lone 2 26 - 7 - HB2 LYS 32 - H LYS 75 lone 2 26 - 7 - HB2 PRO 34 - H LYS 75 lone 1 34 - 2 - Peak 851 from nnoeabs.peaks (1.72, 8.11, 122.06 ppm; 3.76 A): 2 out of 26 assignments used, quality = 0.96: * HB3 LYS 85 + H LYS 85 OK 86 100 - 86 - 4.0=80, 1.8/379=8...(11) HB2 ARG 84 + H LYS 85 OK 70 100 - 70 - 4.6=53, 3.0/377=16...(12) HB3 LYS 83 - H LYS 85 OK 29 100 - 29 - 3443=5, 369/4.6=4...(12) HB3 LYS 85 - H LYS 75 OK 15 54 - 28 - 3443=5, 3.0/3423=3...(12) HG2 ARG 70 - H LYS 85 OK 15 93 - 16 - 5488=3, 4.9/5390=3...(6) HB2 LEU 43 - H LYS 85 OK 13 100 - 13 - 3426/2.9=2, ~5357=2...(7) HB2 LEU 29 - H LYS 85 OK 12 99 - 13 - 387/4.7=3, 1484/3.6=2...(5) HB3 LYS 83 - H LYS 75 poor 8 53 - 14 - 3443=2, 6055/3.6=2...(4) HG2 ARG 70 - H LYS 75 poor 7 46 - 15 - 4.9/5390=4, 4.0/5391=3...(6) HG3 ARG 71 - H LYS 85 lone 6 60 - 10 - 5.0/5397=2, 2928=2 HB3 ARG 17 - H LYS 85 lone 5 81 - 6 - HB2 LEU 29 - H LYS 75 lone 3 52 - 7 - 1483/4.6=1 HG3 ARG 71 - H LYS 75 poor 3 26 - 12 - 5.0/5397=3, 2928=2...(4) HB2 LEU 62 - H LYS 85 lone 3 73 - 4 - 387/4.7=1 HB2 ARG 82 - H LYS 85 lone 3 63 - 5 - 3235/3.6=1 HB2 ARG 84 - H LYS 75 lone 3 53 - 5 - 3.0/4008=1 HG3 ARG 26 - H LYS 85 lone 2 68 - 3 - HB3 LEU 64 - H LYS 85 lone 2 71 - 3 - HG3 ARG 66 - H LYS 85 lone 2 65 - 3 - HB3 LEU 64 - H LYS 75 lone 2 31 - 5 - HB2 LEU 43 - H LYS 75 lone 2 54 - 3 - HG3 ARG 66 - H LYS 75 lone 1 28 - 3 - HB2 LEU 62 - H LYS 75 lone 1 33 - 2 - HB3 ARG 17 - H LYS 75 lone 1 37 - 2 - HG3 ARG 26 - H LYS 75 lone 1 30 - 2 - HB2 ARG 82 - H LYS 75 lone 1 27 - 2 - Peak 852 from nnoeabs.peaks (1.38, 8.11, 122.06 ppm; 4.72 A): 3 out of 26 assignments used, quality = 0.99: * HG2 LYS 85 + H LYS 85 OK 95 100 - 95 - 4.8=93, 2.9/378=12...(7) HG3 LYS 75 + H LYS 75 OK 46 48 - 97 - 4.8=94, 3070/3.0=10...(20) HG2 LYS 75 + H LYS 75 OK 46 48 - 97 - 4.8=94, 3070/3.0=10...(20) HG3 LYS 73 - H LYS 85 OK 36 97 - 38 - 3.8/377=4, 1.8/853=4...(18) HG2 LYS 75 - H LYS 85 OK 36 96 - 37 - 3.9/3066=6, 2.7/3076=4...(16) HG3 LYS 75 - H LYS 85 OK 36 96 - 37 - 3.9/3066=6, 2.7/3076=4...(16) HG2 LYS 83 - H LYS 85 OK 29 98 - 30 - 2.9/3443=6, 3.7/3423=5...(14) QB ALA 77 - H LYS 75 OK 28 54 - 52 - 16041/3.6=37, 3989/4.6=5...(8) HG3 LYS 73 - H LYS 75 OK 22 49 - 44 - 2.9/3076=5, 3071/3.0=4...(20) HB3 ARG 69 - H LYS 85 OK 19 89 - 22 - 4.3/5390=5, 4.0/5825=4...(6) HG2 LYS 85 - H LYS 75 OK 19 54 - 35 - 2.9/3443=6, 3.8/3423=4...(12) HG3 ARG 69 - H LYS 75 OK 17 54 - 32 - 3944/4.6=7, 4.7/5825=7...(9) HG3 ARG 69 - H LYS 85 OK 17 100 - 17 - 4.7/5825=3, 2818/4.0=2...(5) HB3 ARG 69 - H LYS 75 OK 15 42 - 37 - 4.0/5825=8, 4.3/5390=7...(11) HG3 LYS 39 - H LYS 75 OK 12 28 - 42 - ~1863=6, 1873/3.0=5...(18) HG3 LYS 39 - H LYS 85 poor 9 65 - 14 - 5895/4.7=2, ~1863=1...(4) HG2 LYS 83 - H LYS 75 poor 9 50 - 17 - 2.9/3443=3, 3.7/3423=2...(6) QB ALA 77 - H LYS 85 lone 8 100 - 8 - QB ALA 78 - H LYS 75 poor 7 49 - 14 - 6040/3.6=5, 327/4.6=2...(4) QB ALA 78 - H LYS 85 lone 6 97 - 6 - QB ALA 20 - H LYS 85 lone 4 100 - 4 - QB ALA 53 - H LYS 85 lone 3 92 - 4 - QB ALA 20 - H LYS 75 lone 3 54 - 6 - QB ALA 16 - H LYS 85 lone 3 87 - 3 - QB ALA 53 - H LYS 75 lone 2 44 - 5 - QB ALA 16 - H LYS 75 lone 1 41 - 3 - Peak 853 from nnoeabs.peaks (1.45, 8.11, 122.06 ppm; 4.85 A): 1 out of 18 assignments used, quality = 1.00: * HG3 LYS 85 + H LYS 85 OK 100 100 - 100 - 4.8=100 HG2 LYS 73 - H LYS 85 OK 28 71 - 39 - 3.8/377=4, 3428/2.9=3...(18) HG3 LYS 85 - H LYS 75 OK 21 54 - 38 - 2.9/3443=6, 3.8/3423=4...(16) HB3 LEU 43 - H LYS 85 OK 20 90 - 22 - 2018/4.0=4, 3428/2.9=4...(7) HG3 LYS 13 - H LYS 85 OK 19 100 - 19 - 3428/2.9=4, 3448/4.0=3...(6) HG13 ILE 89 - H LYS 85 OK 17 93 - 19 - 3626/3.6=3, 4.0/377=3...(8) HG3 LYS 13 - H LYS 75 OK 17 53 - 32 - 3464/3.0=4, ~3073=3...(13) HG2 LYS 73 - H LYS 75 OK 14 31 - 46 - 2.9/3076=5, 3.8/4008=4...(23) QB ALA 30 - H LYS 85 lone 9 99 - 9 - 5539/4.6=2, 4843/4.0=1...(4) HG12 ILE 33 - H LYS 85 lone 5 98 - 4 - HB3 LEU 57 - H LYS 75 lone 4 44 - 9 - 2442/4.6=5 HG13 ILE 89 - H LYS 75 lone 4 46 - 9 - 3625/4.6=2, 3627/4.0=1 QB ALA 30 - H LYS 75 lone 4 51 - 7 - 1521/4.6=1 HB3 LEU 57 - H LYS 85 lone 3 92 - 3 - HB3 LEU 43 - H LYS 75 lone 2 43 - 5 - ~5357=1 HB3 LEU 52 - H LYS 85 lone 2 83 - 2 - HG12 ILE 33 - H LYS 75 lone 2 50 - 3 - HB3 LEU 52 - H LYS 75 lone 1 38 - 2 - Peak 858 from nnoeabs.peaks (8.27, 8.27, 123.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 86 + H LEU 86 OK 100 100 - 100 Peak 859 from nnoeabs.peaks (4.30, 8.27, 123.92 ppm; 3.74 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 86 + H LEU 86 OK 100 100 - 100 - 3.0=100 HA GLU 87 - H LEU 86 OK 34 93 - 37 - 3.0/5898=20, ~395=5...(8) HA ARG 17 - H LEU 86 poor 10 73 - 13 - 4.0/860=1, 4.0/860=1...(5) HA PRO 34 - H LEU 86 lone 7 93 - 7 - 2.3/386=1, ~1714=1, ~1707=1 HA ALA 16 - H LEU 86 lone 6 99 - 6 - HA THR 88 - H LEU 86 lone 5 78 - 7 - ~402=1 HA ASP 38 - H LEU 86 lone 2 76 - 2 - HA SER 60 - H LEU 86 lone 1 73 - 2 - Peak 860 from nnoeabs.peaks (1.61, 8.27, 123.92 ppm; 3.29 A): 4 out of 17 assignments used, quality = 0.84: * HB2 LEU 86 + H LEU 86 OK 68 100 - 68 - 4.0=56, 4.6/5898=10...(8) HG LEU 86 + H LEU 86 OK 36 90 - 40 - 5.3=24, 3515/3.0=6...(6) HG3 ARG 17 + H LEU 86 OK 11 100 - 11 - 3515/3.0=1 HG2 ARG 17 + H LEU 86 OK 11 100 - 11 - 3515/3.0=1 HB3 LEU 62 - H LEU 86 poor 8 68 - 12 - 3521/3.0=2, 3520=2...(4) HG3 ARG 84 - H LEU 86 lone 8 81 - 10 - 3.0/387=2, 3.0/386=2 HG2 ARG 84 - H LEU 86 lone 8 81 - 10 - 3.0/387=2, 3.0/386=2 HD2 LYS 73 - H LEU 86 lone 7 100 - 7 - 2.9/5895=1 HD3 LYS 73 - H LEU 86 lone 7 100 - 7 - 2.9/5895=1 HB3 LEU 51 - H LEU 86 lone 6 92 - 6 - 2227/4.8=2, 3515/3.0=1 HG3 ARG 70 - H LEU 86 lone 5 100 - 5 - 1.8/387=1 HD3 LYS 32 - H LEU 86 lone 3 100 - 3 - HD2 LYS 32 - H LEU 86 lone 3 100 - 3 - HG2 ARG 71 - H LEU 86 lone 3 100 - 3 - HG2 ARG 26 - H LEU 86 lone 2 99 - 2 - HG2 ARG 27 - H LEU 86 lone 2 89 - 2 - HG3 ARG 27 - H LEU 86 lone 2 87 - 2 - Peak 861 from nnoeabs.peaks (1.56, 8.27, 123.92 ppm; 3.38 A): 4 out of 11 assignments used, quality = 0.85: * HB3 LEU 86 + H LEU 86 OK 73 100 - 73 - 4.0=61, 4.6/5898=11...(9) HB3 LEU 29 + H LEU 86 OK 24 89 - 27 - 1.8/387=4, 3516/3.0=4...(13) HG LEU 62 + H LEU 86 OK 17 100 - 18 - 3516/3.0=3, 3.0/3520=2...(8) HG2 LYS 39 + H LEU 86 OK 12 92 - 13 - 3516/3.0=2, 5119/4.8=1...(5) HB3 LEU 62 - H LEU 86 poor 9 71 - 13 - 1.8/387=2, 3516/3.0=2...(6) HD3 LYS 39 - H LEU 86 lone 7 85 - 9 - 3.0/5895=1, 3.5/386=1 HD2 LYS 39 - H LEU 86 lone 7 83 - 9 - 3.0/5895=1, 3.5/386=1 HG LEU 64 - H LEU 86 lone 6 76 - 7 - 3516/3.0=1, 2.1/5916=1 HB3 ARG 54 - H LEU 86 lone 3 92 - 3 - HG3 ARG 54 - H LEU 86 lone 3 95 - 3 - HG3 ARG 23 - H LEU 86 lone 1 78 - 1 - Peak 862 from nnoeabs.peaks (1.60, 8.27, 123.92 ppm; 3.16 A): 4 out of 19 assignments used, quality = 0.79: HB2 LEU 86 + H LEU 86 OK 56 90 - 62 - 4.0=50, 4.6/5898=9...(8) * HG LEU 86 + H LEU 86 OK 37 100 - 37 - 5.3=21, 3517/3.0=5...(6) HB3 LEU 29 + H LEU 86 OK 16 87 - 19 - 1.8/387=4, 3517/3.0=2...(11) HB3 LEU 62 + H LEU 86 OK 11 97 - 11 - 3517/3.0=2, 1.8/387=2, 3520=1 HG2 ARG 84 - H LEU 86 lone 9 100 - 9 - 3.0/387=2, 3.0/386=1 HG3 ARG 84 - H LEU 86 lone 9 100 - 9 - 3.0/387=2, 3.0/386=1 HG2 ARG 17 - H LEU 86 lone 8 83 - 9 - 3515/3.0=1 HG3 ARG 17 - H LEU 86 lone 8 81 - 9 - 3515/3.0=1 HD2 LYS 39 - H LEU 86 lone 6 92 - 7 - HD3 LYS 39 - H LEU 86 lone 6 90 - 7 - HD2 LYS 73 - H LEU 86 lone 6 96 - 6 - HD3 LYS 73 - H LEU 86 lone 6 96 - 6 - HB3 LEU 51 - H LEU 86 lone 5 100 - 5 - 2227/4.8=2 HG3 ARG 70 - H LEU 86 lone 4 93 - 4 - HD2 LYS 32 - H LEU 86 lone 2 96 - 2 - HD3 LYS 32 - H LEU 86 lone 2 93 - 3 - HG2 ARG 71 - H LEU 86 lone 2 81 - 2 - HG3 ARG 54 - H LEU 86 lone 1 78 - 2 - HG2 ARG 26 - H LEU 86 lone 1 76 - 2 - Peak 865 from nnoeabs.peaks (8.42, 8.42, 121.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + H GLU 87 OK 100 100 - 100 Peak 866 from nnoeabs.peaks (4.32, 8.42, 121.83 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 - 100 - 3.0=100 HA LEU 86 + H GLU 87 OK 67 93 - 71 - 3.6=60, 3.0/5898=12...(9) HA PRO 34 - H GLU 87 lone 4 100 - 4 - HA ALA 16 - H GLU 87 lone 3 99 - 3 - Peak 867 from nnoeabs.peaks (2.03, 8.42, 121.83 ppm; 4.17 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLU 87 + H GLU 87 OK 100 100 - 100 - 4.0=100 HB3 GLU 19 + H GLU 87 OK 48 99 - 49 - 3557/3.0=9, 1.8/868=8...(16) HB3 GLN 91 - H GLU 87 OK 14 98 - 15 - 3562/3.0=3, 3561=2...(7) HB2 GLU 50 - H GLU 87 OK 12 98 - 12 - 3557/3.0=2, 2196/4.8=2...(5) HB3 GLU 50 - H GLU 87 OK 12 98 - 12 - 3557/3.0=2, 2196/4.8=2...(5) HD3 ARG 69 - H GLU 87 lone 5 100 - 5 - 6.3/288=2 HD2 ARG 69 - H GLU 87 lone 5 100 - 5 - 6.3/288=2 HB2 GLU 25 - H GLU 87 lone 5 78 - 6 - 4.7/5899=1 HB3 GLU 25 - H GLU 87 lone 5 76 - 6 - 4.7/5899=1 HB3 PRO 56 - H GLU 87 lone 3 100 - 3 - HB VAL 90 - H GLU 87 lone 3 95 - 3 - HB VAL 76 - H GLU 87 lone 2 95 - 2 - HG2 PRO 56 - H GLU 87 lone 2 99 - 2 - HG2 ARG 66 - H GLU 87 lone 2 81 - 3 - HB3 MET 11 - H GLU 87 lone 2 71 - 3 - HG2 PRO 44 - H GLU 87 lone 2 90 - 2 - Peak 868 from nnoeabs.peaks (1.91, 8.42, 121.83 ppm; 3.67 A): 4 out of 12 assignments used, quality = 0.95: * HB3 GLU 87 + H GLU 87 OK 80 100 - 80 - 4.0=75, 3.0/870=7...(5) HB2 GLU 19 + H GLU 87 OK 40 100 - 40 - 1.8/867=6, 3568/3.0=6...(16) HB ILE 68 + H GLU 87 OK 37 97 - 38 - 2749=10, 2.9/2770=6...(10) HG13 ILE 68 + H GLU 87 OK 34 90 - 37 - 2770=8, 2.1/2777=6...(9) HB2 GLN 91 - H GLU 87 OK 10 97 - 10 - 3558/3.0=2, 1.8/867=2...(5) HG12 ILE 40 - H GLU 87 lone 9 100 - 9 - 3.2/5616=3, 2.1/5622=2 HB3 ARG 26 - H GLU 87 lone 4 65 - 6 - 3.9/5899=1 HB2 ARG 26 - H GLU 87 lone 4 63 - 6 - 3.9/5899=1 HB VAL 41 - H GLU 87 lone 3 78 - 4 - HB2 MET 31 - H GLU 87 lone 2 63 - 3 - HB2 MET 11 - H GLU 87 lone 2 76 - 2 - HB3 PRO 14 - H GLU 87 lone 2 81 - 2 - Peak 869 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.73 A): 4 out of 5 assignments used, quality = 1.00: HG3 GLU 87 + H GLU 87 OK 95 100 - 95 - 4.8=93, 3.0/868=15...(5) * HG2 GLU 87 + H GLU 87 OK 95 100 - 95 - 4.8=93, 3.0/868=15...(5) HG2 GLU 19 + H GLU 87 OK 49 90 - 55 - 3.0/867=8, 3.0/868=7...(17) HG3 GLU 19 + H GLU 87 OK 49 90 - 55 - 3.0/867=8, 3.0/868=7...(17) HG3 GLU 50 - H GLU 87 OK 11 99 - 11 - 3.0/867=2, 3.0/867=2...(4) Peak 870 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.26 A): 3 out of 5 assignments used, quality = 0.97: * HG3 GLU 87 + H GLU 87 OK 75 100 - 75 - 4.8=68, 3.0/868=13...(4) HG2 GLU 87 + H GLU 87 OK 75 100 - 75 - 4.8=68, 3.0/868=13...(4) HG2 GLU 19 + H GLU 87 OK 43 92 - 48 - 3.0/867=7, 3.0/868=6...(17) HG3 GLU 19 - H GLU 87 OK 43 92 - 48 - 3.0/867=7, 3.0/868=6...(17) HG3 GLU 50 - H GLU 87 lone 9 98 - 9 - 3.0/867=2, 3.0/867=2...(4) Peak 871 from nnoeabs.peaks (8.13, 8.13, 115.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 88 + H THR 88 OK 100 100 - 100 Peak 872 from nnoeabs.peaks (4.28, 8.13, 115.78 ppm; 3.78 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 88 + H THR 88 OK 100 100 - 100 - 3.0=100 HA GLU 19 - H THR 88 OK 19 76 - 25 - 3.0/5275=4, 3.0/5901=4...(9) HA LEU 86 - H THR 88 poor 10 78 - 12 - 395/4.6=5, 408/4.6=2, 3594/4.0=1 HA ARG 17 - H THR 88 lone 7 100 - 7 - 408/4.6=1, 3594/4.0=1 HA ALA 20 - H THR 88 lone 7 85 - 8 - 3.0/5900=2 HA LEU 64 - H THR 88 lone 5 83 - 6 - 6135/4.6=2 HA ASP 38 - H THR 88 lone 3 100 - 3 - HA SER 60 - H THR 88 lone 2 100 - 2 - HA ALA 12 - H THR 88 lone 1 78 - 2 - HA ALA 16 - H THR 88 lone 1 57 - 2 - Peak 873 from nnoeabs.peaks (4.12, 8.13, 115.78 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 88 + H THR 88 OK 100 100 - 100 - 3.9=100 HA ARG 27 - H THR 88 OK 29 100 - 29 - 5341=8, 3.0/5380=6...(6) HA GLN 91 - H THR 88 OK 11 93 - 12 - 3661/4.6=3, 3676/4.6=2...(5) HA ARG 23 - H THR 88 lone 9 99 - 9 - 5341=3, 3587/3.0=1...(4) HA ALA 30 - H THR 88 lone 6 90 - 7 - 409/4.6=2, 3587/3.0=1 HA ASN 49 - H THR 88 lone 2 85 - 3 - Peak 874 from nnoeabs.peaks (1.15, 8.13, 115.78 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 88 + H THR 88 OK 100 100 - 100 - 4.0=100 HG12 ILE 89 - H THR 88 OK 38 100 - 38 - 879/4.6=13, 3588/3.0=12...(5) QG2 THR 37 - H THR 88 lone 5 71 - 6 - Peak 875 from nnoeabs.peaks (8.17, 8.17, 124.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + H ILE 89 OK 100 100 - 100 Peak 876 from nnoeabs.peaks (4.17, 8.17, 124.35 ppm; 3.76 A): 1 out of 8 assignments used, quality = 1.00: * HA ILE 89 + H ILE 89 OK 100 100 - 100 - 3.0=100 HA LYS 73 - H ILE 89 OK 33 99 - 33 - 3.0/877=5, 3605/4.0=5...(13) HA LEU 29 - H ILE 89 OK 24 98 - 24 - 3612/4.0=4, 3605/4.0=3...(11) HA ARG 84 - H ILE 89 OK 20 92 - 22 - 3605/4.0=3, 3612/4.0=3...(12) HA ARG 82 - H ILE 89 lone 5 99 - 5 - HA ALA 53 - H ILE 89 lone 4 99 - 4 - HB THR 15 - H ILE 89 lone 3 100 - 3 - HA GLN 79 - H ILE 89 lone 1 63 - 2 - Peak 877 from nnoeabs.peaks (1.82, 8.17, 124.35 ppm; 3.52 A): 4 out of 11 assignments used, quality = 0.88: * HB ILE 89 + H ILE 89 OK 78 100 - 78 - 4.0=70, 2.9/879=11...(5) HB2 LYS 73 + H ILE 89 OK 27 100 - 27 - 3599/3.0=5, 3.0/876=4...(9) HB3 ARG 84 + H ILE 89 OK 12 81 - 15 - 3.0/876=3, 3599/3.0=2...(8) HB2 LYS 85 + H ILE 89 OK 11 81 - 14 - 3599/3.0=2, 2.9/5269=2...(6) HB2 ARG 17 - H ILE 89 lone 7 90 - 7 - 3.0/408=2 HB2 ARG 27 - H ILE 89 poor 6 60 - 10 - 3.0/409=4 HB2 LYS 75 - H ILE 89 lone 5 85 - 6 - 3599/3.0=1 HB2 ARG 69 - H ILE 89 lone 4 81 - 5 - HB2 ARG 23 - H ILE 89 lone 4 76 - 5 - 3.0/409=1 HB3 ARG 23 - H ILE 89 lone 4 73 - 5 - 3.0/409=1 HB2 ARG 71 - H ILE 89 lone 2 60 - 3 - Peak 879 from nnoeabs.peaks (1.14, 8.17, 124.35 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.99: QG2 THR 88 + H ILE 89 OK 96 100 - 96 - 3.9=91, 3.2/408=25...(8) * HG12 ILE 89 + H ILE 89 OK 76 100 - 76 - 4.5=58, 2.9/877=15...(7) QG2 THR 37 - H ILE 89 lone 5 60 - 7 - 5270/4.0=1 Peak 882 from nnoeabs.peaks (8.27, 8.27, 125.92 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H VAL 90 + H VAL 90 OK 100 100 - 100 H ALA 12 - H ALA 12 OK 28 28 - 100 Peak 883 from nnoeabs.peaks (4.08, 8.27, 125.92 ppm; 4.40 A): 1 out of 10 assignments used, quality = 1.00: * HA VAL 90 + H VAL 90 OK 100 100 - 100 - 3.0=100 HA ARG 26 - H VAL 90 lone 9 99 - 9 - 419/4.6=2, 3645/3.9=1 HA GLU 25 - H VAL 90 lone 8 95 - 8 - 419/4.6=2, 4163/4.4=1 HA ALA 63 - H VAL 90 lone 8 93 - 8 - 5370/3.9=2, 419/4.6=1 HA ARG 71 - H VAL 90 lone 6 100 - 6 - HA VAL 90 - H ALA 12 lone 4 54 - 8 - 3639=2, 3641/4.1=2 HA ALA 63 - H ALA 12 lone 1 46 - 3 - HA ARG 26 - H ALA 12 lone 1 52 - 2 - HA GLU 25 - H ALA 12 lone 1 47 - 2 - HA ARG 71 - H ALA 12 lone 1 54 - 2 - Peak 884 from nnoeabs.peaks (2.02, 8.27, 125.92 ppm; 4.10 A): 2 out of 34 assignments used, quality = 1.00: * HB VAL 90 + H VAL 90 OK 100 100 - 100 - 3.9=100 HB3 MET 11 + H ALA 12 OK 47 48 - 99 - 4.1=99 HG2 ARG 66 - H VAL 90 OK 11 99 - 11 - 3641/3.0=2, 5373/4.0=2...(4) HB VAL 76 - H VAL 90 poor 8 68 - 12 - 3644=2, 3645/3.0=1...(4) HB3 MET 11 - H VAL 90 lone 6 96 - 6 - 3641/3.0=2, 3644=1 HG LEU 43 - H VAL 90 lone 4 57 - 7 - 2.1/414=3, 2028/4.4=2 HD3 ARG 69 - H VAL 90 lone 4 96 - 4 - HD2 ARG 69 - H VAL 90 lone 4 96 - 4 - HB VAL 90 - H ALA 12 lone 3 54 - 6 - 968/3.6=1, 3.0/3639=1 HB3 GLU 19 - H VAL 90 lone 3 83 - 4 - 420/4.6=2 HB3 GLN 91 - H VAL 90 lone 3 78 - 4 - 3641/3.0=3 HG2 ARG 66 - H ALA 12 lone 3 51 - 5 - 965/4.1=2, 960/3.6=2 HB2 GLU 87 - H VAL 90 lone 3 95 - 3 - 420/4.6=1 HB3 GLN 79 - H VAL 90 lone 2 73 - 3 - QE MET 31 - H VAL 90 lone 2 60 - 4 - 5074/4.4=2 HB3 PRO 56 - H VAL 90 lone 2 95 - 2 - HB3 GLU 50 - H VAL 90 lone 2 78 - 2 - HB2 GLU 50 - H VAL 90 lone 2 78 - 2 - HG2 PRO 56 - H VAL 90 lone 1 85 - 2 - HB2 GLU 87 - H ALA 12 lone 1 47 - 2 - HB2 GLU 50 - H ALA 12 lone 1 36 - 3 - 4510/3.6=2 HB3 GLU 50 - H ALA 12 lone 1 36 - 3 - 4510/3.6=2 HB3 GLU 19 - H ALA 12 lone 1 38 - 2 - HG2 PRO 44 - H VAL 90 lone 1 60 - 1 - HD3 ARG 69 - H ALA 12 lone 1 48 - 1 - HD2 ARG 69 - H ALA 12 lone 1 48 - 1 - HB VAL 76 - H ALA 12 lone 1 30 - 2 - QE MET 31 - H ALA 12 lone 1 26 - 2 - HB3 PRO 56 - H ALA 12 lone 0 47 - 1 - HG LEU 43 - H ALA 12 lone 0 24 - 2 - HB3 GLN 79 - H ALA 12 lone 0 33 - 1 - HB3 GLN 91 - H ALA 12 lone 0 36 - 1 - HG2 PRO 56 - H ALA 12 lone 0 40 - 1 - HG2 PRO 44 - H ALA 12 lone 0 26 - 1 - Peak 885 from nnoeabs.peaks (0.90, 8.27, 125.92 ppm; 4.23 A): 2 out of 18 assignments used, quality = 1.00: * QG1 VAL 90 + H VAL 90 OK 100 100 - 100 - 4.0=100 QG2 VAL 90 + H VAL 90 OK 100 100 - 100 - 4.0=100 QD1 LEU 86 - H VAL 90 OK 27 96 - 28 - 2.1/414=6, 3.1/3520=5...(9) QD1 LEU 29 - H VAL 90 OK 21 83 - 25 - 2.1/414=5, 4.0/412=4...(10) QG2 VAL 76 - H VAL 90 OK 10 81 - 13 - 2.1/3644=2, 3649=2...(5) QG1 VAL 76 - H VAL 90 OK 10 81 - 13 - 3649=2, 2.1/3644=2...(5) HG LEU 51 - H VAL 90 lone 4 99 - 4 - QD1 LEU 62 - H VAL 90 lone 3 68 - 5 - QG1 VAL 90 - H ALA 12 lone 2 54 - 4 - 3.2/3639=1 QG2 VAL 90 - H ALA 12 lone 2 54 - 4 - 3.2/3639=1 HG LEU 51 - H ALA 12 lone 2 51 - 3 - HG12 ILE 68 - H VAL 90 lone 2 81 - 2 - QD1 LEU 86 - H ALA 12 lone 2 48 - 3 - HG12 ILE 68 - H ALA 12 lone 1 37 - 2 - QD1 LEU 29 - H ALA 12 lone 1 38 - 2 - QG1 VAL 76 - H ALA 12 lone 1 37 - 2 - QG2 VAL 76 - H ALA 12 lone 1 37 - 2 - QD1 LEU 62 - H ALA 12 lone 1 30 - 2 - Peak 886 from nnoeabs.peaks (0.90, 8.27, 125.92 ppm; 4.23 A): 2 out of 18 assignments used, quality = 1.00: * QG2 VAL 90 + H VAL 90 OK 100 100 - 100 - 4.0=100 QG1 VAL 90 + H VAL 90 OK 100 100 - 100 - 4.0=100 QD1 LEU 86 - H VAL 90 OK 27 97 - 28 - 2.1/414=6, 3.1/3520=5...(9) QD1 LEU 29 - H VAL 90 OK 21 85 - 25 - 2.1/414=5, 4.0/412=4...(10) QG2 VAL 76 - H VAL 90 OK 10 78 - 13 - 2.1/3644=2, 3649=2...(5) QG1 VAL 76 - H VAL 90 OK 10 78 - 13 - 3649=2, 2.1/3644=2...(5) HG LEU 51 - H VAL 90 lone 4 99 - 4 - QD1 LEU 62 - H VAL 90 lone 3 71 - 5 - QG2 VAL 90 - H ALA 12 lone 2 54 - 4 - 3.2/3639=1 QG1 VAL 90 - H ALA 12 lone 2 54 - 4 - 3.2/3639=1 HG LEU 51 - H ALA 12 lone 2 52 - 3 - QD1 LEU 86 - H ALA 12 lone 2 49 - 3 - HG12 ILE 68 - H VAL 90 lone 2 78 - 2 - QD1 LEU 29 - H ALA 12 lone 1 40 - 2 - HG12 ILE 68 - H ALA 12 lone 1 36 - 2 - QG1 VAL 76 - H ALA 12 lone 1 36 - 2 - QG2 VAL 76 - H ALA 12 lone 1 36 - 2 - QD1 LEU 62 - H ALA 12 lone 1 31 - 2 - Peak 887 from nnoeabs.peaks (8.03, 8.03, 129.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 91 + H GLN 91 OK 100 100 - 100 Peak 889 from nnoeabs.peaks (1.90, 8.03, 129.89 ppm; 4.26 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLN 91 + H GLN 91 OK 100 100 - 100 - 3.6=100 HB2 GLU 19 - H GLN 91 OK 27 95 - 29 - 3.0/5905=7, 3.0/5905=7...(7) HB3 GLU 87 - H GLN 91 OK 16 97 - 17 - 3661/2.9=4, 3667=4...(6) HB3 ARG 26 - H GLN 91 lone 9 90 - 10 - 3.0/419=3, 3661/2.9=2, ~3661=1 HB2 ARG 26 - H GLN 91 lone 9 89 - 10 - 3.0/419=3, 3661/2.9=2, ~3661=1 HB3 PRO 14 - H GLN 91 lone 5 97 - 5 - 1.8/5905=3 HB2 MET 11 - H GLN 91 lone 4 96 - 4 - 1.8/4045=1 HB2 ARG 66 - H GLN 91 lone 4 81 - 5 - 2.8/420=1 HB ILE 68 - H GLN 91 lone 3 100 - 3 - HB3 PRO 34 - H GLN 91 lone 2 76 - 3 - HG12 ILE 40 - H GLN 91 lone 2 99 - 2 - HG13 ILE 68 - H GLN 91 lone 2 65 - 2 - Peak 890 from nnoeabs.peaks (2.04, 8.03, 129.89 ppm; 4.51 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLN 91 + H GLN 91 OK 100 100 - 100 - 3.6=100 HB VAL 90 + H GLN 91 OK 78 78 - 100 - 4.4=100 HB3 GLU 19 - H GLN 91 OK 29 100 - 30 - 3.0/5905=8, 3.0/5905=8...(6) HB2 GLU 87 - H GLN 91 OK 16 98 - 17 - 3676/2.9=4, 1.8/3667=4...(4) HB2 GLU 25 - H GLN 91 OK 15 95 - 16 - 3.0/5905=8, 3.0/419=4...(4) HB3 GLU 25 - H GLN 91 OK 15 93 - 16 - 3.0/5905=8, 3.0/419=4...(4) HB VAL 76 - H GLN 91 lone 9 100 - 8 - 4045=2, 3645/3.6=1...(4) HD2 ARG 69 - H GLN 91 lone 3 97 - 3 - HD3 ARG 69 - H GLN 91 lone 3 97 - 3 - HB3 GLU 50 - H GLN 91 lone 3 100 - 3 - HB2 GLU 50 - H GLN 91 lone 3 100 - 3 - HB3 PRO 56 - H GLN 91 lone 2 98 - 2 - HG2 PRO 56 - H GLN 91 lone 2 100 - 2 - HG2 PRO 44 - H GLN 91 lone 2 99 - 2 - HB3 MET 31 - H GLN 91 lone 1 57 - 2 - HB VAL 45 - H GLN 91 lone 1 71 - 1 - Peak 903 from nnoeabs.peaks (8.20, 8.34, 120.23 ppm; 4.15 A): 4 out of 9 assignments used, quality = 0.95: * H GLU 25 + H ASP 24 OK 84 100 - 84 - 4.6=72, 52/4.0=19...(6) H SER 22 + H ASP 24 OK 33 97 - 34 - 3.9/4156=14, 3.9/5320=9...(6) H ARG 27 + H ASP 24 OK 33 76 - 44 - 5383/3.0=18, 3.0/43=10...(12) H ALA 28 + H ASP 24 OK 29 96 - 30 - 3.6/43=9, 6057/3.0=7...(7) H THR 15 - H ASP 24 OK 10 100 - 10 - 3.0/3713=2, 4.0/5332=1 H ARG 84 - H ASP 24 lone 7 100 - 7 - 6057/3.0=2 H ILE 89 - H ASP 24 lone 3 63 - 5 - 409/3.6=1 H GLN 79 - H ASP 24 lone 2 92 - 2 - H ALA 77 - H ASP 24 lone 2 71 - 2 - Peak 904 from nnoeabs.peaks (8.13, 8.20, 121.35 ppm; 3.86 A): 2 out of 7 assignments used, quality = 0.83: * H ARG 26 + H GLU 25 OK 81 100 - 81 - 4.6=58, 55/2.9=12...(11) H ARG 71 + H GLU 25 OK 12 71 - 17 - 2.9/520=3, 5838/3.6=3...(7) H THR 88 - H GLU 25 lone 8 100 - 8 - 3746/5.0=2, 5510/5.0=1 H ALA 78 - H GLU 25 lone 5 89 - 6 - H ASN 74 - H GLU 25 lone 4 81 - 5 - H LYS 85 - H GLU 25 lone 3 68 - 4 - H LEU 57 - H GLU 25 lone 2 83 - 3 - Peak 907 from nnoeabs.peaks (7.95, 8.21, 122.47 ppm; 3.52 A): 4 out of 12 assignments used, quality = 0.84: * H LEU 29 + H ALA 28 OK 63 100 - 63 - 4.6=44, 78/2.9=17...(8) H LYS 32 + H ALA 28 OK 30 97 - 31 - 3762/2.9=7, 3.6/6117=7...(10) H VAL 76 + H ALA 28 OK 22 99 - 23 - 5411=6, 3.0/3984=3...(5) H LEU 29 + H ARG 84 OK 20 86 - 23 - 76=8, 546/4.0=2...(7) H VAL 76 - H ARG 84 poor 9 83 - 11 - 5411=2, 5431/3.0=2, 339/3.6=1 H ARG 70 - H ARG 84 poor 9 86 - 10 - 5390/4.6=3, 297/4.0=1, 770/4.0=1 H ARG 70 - H ALA 28 lone 8 100 - 8 - 3761/3.0=2, 3762/2.9=1 H ASP 67 - H ALA 28 lone 8 81 - 9 - 3761/3.0=1, 3.0/6057=1 H ALA 63 - H ALA 28 lone 5 68 - 7 - 3762/2.9=1, 3761/3.0=1 H LYS 32 - H ARG 84 lone 4 80 - 4 - H ASP 67 - H ARG 84 lone 2 63 - 3 - H ALA 63 - H ARG 84 lone 2 52 - 3 - Peak 908 from nnoeabs.peaks (7.98, 7.95, 119.22 ppm; 2.53 A): 2 out of 6 assignments used, quality = 0.54: * H ALA 30 + H LEU 29 OK 44 100 - 45 - 79=19, 80/3.0=6...(13) H ALA 63 + H LEU 29 OK 18 100 - 18 - 3764/4.0=2, 3.0/4184=2...(7) H GLY 72 - H LEU 29 lone 9 99 - 9 - 3.6/4184=2 H LYS 73 - H LEU 29 lone 8 93 - 9 - 3.0/545=1, 786/3.0=1, 3764/4.0=1 H ARG 69 - H LEU 29 lone 8 100 - 8 - H VAL 76 - H LEU 29 lone 7 76 - 10 - 3.0/77=1 Peak 909 from nnoeabs.peaks (7.71, 7.98, 123.05 ppm; 3.63 A): 5 out of 5 assignments used, quality = 0.84: * H MET 31 + H ALA 30 OK 71 100 - 71 - 4.5=53, 3.6/553=17...(6) H GLN 61 + H ALA 30 OK 16 71 - 23 - 5759=4, 3.0/4841=3...(8) H ASN 42 + H ALA 30 OK 15 97 - 15 - 5635/4.6=2, 5525/4.6=2...(7) H GLU 50 + H ALA 30 OK 11 83 - 14 - 3769/3.0=3, 3770/2.9=2...(6) H TYR 55 + H ALA 30 OK 11 89 - 12 - 4582/3.6=3, 3770/2.9=2...(4) Peak 910 from nnoeabs.peaks (7.94, 7.71, 115.23 ppm; 3.34 A): 5 out of 5 assignments used, quality = 0.89: * H LYS 32 + H MET 31 OK 72 100 - 72 - 4.6=37, 90/3.0=19...(15) H LEU 29 + H MET 31 OK 44 97 - 45 - 908/4.5=8, 5525=8...(14) H ASP 67 + H MET 31 OK 14 97 - 14 - 3771/3.0=2, 3772/4.0=2...(8) H ARG 70 + H MET 31 OK 11 96 - 12 - 79/4.5=2, 3771/3.0=2...(5) H VAL 76 + H MET 31 OK 11 85 - 13 - 3771/3.0=2, 3.0/4193=2...(7) Peak 912 from nnoeabs.peaks (8.70, 8.81, 115.67 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.86: * H ASP 38 + H THR 37 OK 86 100 - 86 - 4.6=54, 3800/3.8=21...(7) Peak 913 from nnoeabs.peaks (7.39, 8.70, 119.49 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.77: * H LYS 39 + H ASP 38 OK 77 100 - 77 - 4.6=48, 5603/3.6=10...(14) H LEU 64 - H ASP 38 poor 10 65 - 15 - 3802/3.0=3, 5603/3.6=2...(6) Peak 914 from nnoeabs.peaks (7.24, 7.39, 117.25 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.77: * H ILE 40 + H LYS 39 OK 72 100 - 72 - 4.6=45, 4.7/5632=11...(12) H ALA 53 + H LYS 39 OK 11 76 - 15 - 3805/3.0=3, 3.0/5702=3...(6) HE ARG 54 + H LYS 39 OK 10 78 - 13 - 3805/3.0=2, 4.7/595=2...(7) H ASP 47 - H LYS 39 lone 5 71 - 8 - 5592/3.6=2, 4888/4.6=2 Peak 915 from nnoeabs.peaks (7.63, 7.24, 115.36 ppm; 3.43 A): 3 out of 3 assignments used, quality = 0.90: * H VAL 41 + H ILE 40 OK 78 100 - 78 - 4.7=40, 5632/4.6=11...(15) HD21 ASN 42 + H ILE 40 OK 47 100 - 47 - 3815/3.9=6, 6082/3.6=6...(16) HD21 ASN 74 + H ILE 40 OK 15 92 - 16 - 3814/3.0=2, 3815/3.9=2...(8) Peak 916 from nnoeabs.peaks (7.72, 7.63, 114.41 ppm; 3.46 A): 3 out of 4 assignments used, quality = 0.82: * H ASN 42 + H VAL 41 OK 73 100 - 73 - 4.6=42, 3821/3.9=11...(12) H GLU 50 + H VAL 41 OK 22 98 - 22 - 3820/3.0=4, 4.6/5631=4...(7) H MET 31 + H VAL 41 OK 16 97 - 16 - 3821/3.9=4, 3820/3.0=3...(5) H TYR 55 - H VAL 41 lone 6 63 - 10 - 4.6/5631=3, 4973/4.7=2 Peak 917 from nnoeabs.peaks (7.52, 7.72, 113.33 ppm; 3.36 A): 3 out of 4 assignments used, quality = 0.84: * H LEU 43 + H ASN 42 OK 69 100 - 69 - 4.6=38, 3824/3.0=22...(10) H LEU 51 + H ASN 42 OK 38 97 - 39 - 187=14, 3.0/4944=4...(10) H ARG 54 + H ASN 42 OK 19 97 - 19 - 927=3, 5631/4.6=3...(6) HD21 ASN 80 - H ASN 42 lone 5 71 - 7 - Peak 918 from nnoeabs.peaks (8.77, 8.62, 122.56 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.97: * H ASP 46 + H VAL 45 OK 90 100 - 90 - 4.6=66, 4.2/629=24...(9) H PHE 48 + H VAL 45 OK 72 100 - 72 - 3834/3.0=14, 921=12...(14) Peak 919 from nnoeabs.peaks (7.27, 8.77, 119.44 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.78: * H ASP 47 + H ASP 46 OK 73 100 - 73 - 4.6=36, 169/4.0=12...(18) HE ARG 54 + H ASP 46 OK 18 100 - 18 - 4424/4.2=3, 4930/3.5=3...(7) H ILE 40 - H ASP 46 lone 5 71 - 7 - Peak 920 from nnoeabs.peaks (8.77, 7.27, 119.22 ppm; 2.88 A): 2 out of 2 assignments used, quality = 0.84: * H PHE 48 + H ASP 47 OK 61 100 - 61 - 171=26, 4.3/638=8...(15) H ASP 46 + H ASP 47 OK 59 100 - 60 - 919=25, 4.0/169=9...(14) Peak 921 from nnoeabs.peaks (8.65, 8.77, 123.38 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.90: * H ASN 49 + H PHE 48 OK 83 100 - 83 - 4.6=45, 177/4.0=17...(16) H VAL 45 + H PHE 48 OK 44 68 - 65 - 3.0/3834=11, 918=10...(14) Peak 922 from nnoeabs.peaks (7.73, 8.65, 117.58 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.78: * H GLU 50 + H ASN 49 OK 70 100 - 70 - 4.5=39, 4.2/2167=12...(13) H ASN 42 + H ASN 49 OK 18 98 - 18 - 5290/3.6=3, 4452/4.6=3...(7) H MET 31 + H ASN 49 OK 12 83 - 14 - 3848/3.0=3, 3.6/646=2...(6) Peak 923 from nnoeabs.peaks (7.53, 7.73, 120.91 ppm; 3.23 A): 3 out of 4 assignments used, quality = 0.81: * H LEU 51 + H GLU 50 OK 67 100 - 67 - 4.6=34, 4947/4.5=11...(14) H ARG 54 + H GLU 50 OK 26 100 - 27 - 4495/3.6=3, 4.6/4508=3...(12) H LEU 43 + H GLU 50 OK 22 97 - 23 - 149=9, 4495/3.6=2...(6) HD21 ASN 80 - H GLU 50 lone 6 93 - 7 - 4495/3.6=1 Peak 924 from nnoeabs.peaks (7.43, 7.53, 121.73 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.85: * H LEU 52 + H LEU 51 OK 76 100 - 76 - 4.6=38, 4.6/662=13...(14) H LEU 64 + H LEU 51 OK 28 97 - 28 - 3856/3.0=4, 3858/3.9=4...(10) HE21 GLN 61 + H LEU 51 OK 15 60 - 25 - ~5763=4, ~4945=3...(9) Peak 925 from nnoeabs.peaks (7.22, 7.43, 115.28 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.82: * H ALA 53 + H LEU 52 OK 77 100 - 77 - 4.5=41, 3864/3.9=12...(12) H ILE 40 + H LEU 52 OK 21 76 - 28 - 3862/3.0=5, 5674/3.6=4...(10) Peak 926 from nnoeabs.peaks (7.53, 7.22, 117.09 ppm; 3.00 A): 3 out of 4 assignments used, quality = 0.84: * H ARG 54 + H ALA 53 OK 65 100 - 65 - 207=32, 3.6/2296=18...(13) H LEU 51 + H ALA 53 OK 50 100 - 51 - 4.6/925=9, 4943=7...(15) H LEU 43 + H ALA 53 OK 11 97 - 11 - 193/4.5=2, 5141/3.6=1...(4) HD21 ASN 80 - H ALA 53 lone 6 92 - 6 - 6019/2.9=1 Peak 927 from nnoeabs.peaks (7.69, 7.53, 116.98 ppm; 3.15 A): 4 out of 4 assignments used, quality = 0.79: * H TYR 55 + H ARG 54 OK 66 100 - 66 - 4.6=32, 4.4/5703=11...(12) H GLN 61 + H ARG 54 OK 23 99 - 24 - 3870/3.0=4, 4560/3.6=3...(10) H MET 31 + H ARG 54 OK 10 89 - 12 - 3870/3.0=2, 3872/4.1=1...(5) H ASN 42 + H ARG 54 OK 10 63 - 16 - 917=4, 4.6/5631=2...(6) Peak 928 from nnoeabs.peaks (9.06, 8.15, 124.80 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.98: * H THR 58 + H LEU 57 OK 98 100 - 98 - 4.6=93, 3888/4.7=24...(10) Peak 930 from nnoeabs.peaks (8.51, 9.11, 120.45 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + H GLU 59 OK 100 100 - 100 - 4.7=100 H ARG 23 - H GLU 59 lone 5 95 - 5 - 3.6/233=1, 39/3.6=1 Peak 931 from nnoeabs.peaks (7.68, 8.51, 114.41 ppm; 4.47 A): 3 out of 3 assignments used, quality = 0.95: * H GLN 61 + H SER 60 OK 93 100 - 93 - 4.6=89, 244/3.8=15...(5) H TYR 55 + H SER 60 OK 12 99 - 12 - 4644/4.7=3, 3898/3.0=2...(6) H MET 31 + H SER 60 OK 11 71 - 15 - 4644/4.7=4, 3898/3.0=4...(5) Peak 932 from nnoeabs.peaks (8.82, 7.68, 122.99 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.75: * H LEU 62 + H GLN 61 OK 68 100 - 68 - 4.6=39, 248/4.0=11...(14) H THR 37 + H GLN 61 OK 22 98 - 22 - 3901/3.0=5, 3902/4.0=4...(7) Peak 933 from nnoeabs.peaks (7.98, 8.82, 120.20 ppm; 3.38 A): 5 out of 8 assignments used, quality = 0.87: * H ALA 63 + H LEU 62 OK 70 100 - 70 - 4.6=38, 2.9/5787=11...(12) H ALA 30 + H LEU 62 OK 30 100 - 30 - 3907/4.0=4, 82/4.0=3...(12) H LEU 29 + H LEU 62 OK 17 68 - 25 - 4.8/723=3, 4.0/2578=3...(12) H ARG 69 + H LEU 62 OK 13 100 - 13 - 3906/3.0=2, 3907/4.0=2...(4) H GLY 72 + H LEU 62 OK 12 95 - 13 - 3.6/4676=1, 3907/4.0=1...(6) H LYS 73 - H LEU 62 poor 9 85 - 11 - 3907/4.0=1, 3910/4.8=1 H VAL 76 - H LEU 62 lone 8 87 - 10 - 3.0/247=1, 812/3.6=1 H ARG 70 - H LEU 62 lone 6 71 - 8 - 295/4.6=1 Peak 934 from nnoeabs.peaks (7.42, 7.98, 119.93 ppm; 3.29 A): 2 out of 3 assignments used, quality = 0.72: * H LEU 64 + H ALA 63 OK 63 100 - 63 - 4.7=35, 3.6/726=18...(9) H LEU 52 + H ALA 63 OK 24 97 - 25 - 3913/2.9=6, 3912/3.0=4...(7) H LYS 39 - H ALA 63 poor 7 65 - 11 - 5605/3.6=2, 3.0/4690=1...(4) Peak 935 from nnoeabs.peaks (8.38, 7.42, 119.17 ppm; 3.57 A): 4 out of 5 assignments used, quality = 0.92: * H VAL 65 + H LEU 64 OK 81 100 - 81 - 4.6=45, 4.6/5018=12...(13) H GLY 21 + H LEU 64 OK 32 100 - 32 - 33/3.0=5, 3915/4.0=4...(13) H ARG 17 + H LEU 64 OK 25 99 - 26 - 484/3.0=4, 3915/4.0=3...(10) H GLY 18 + H LEU 64 OK 16 87 - 18 - 4822/3.0=2, 5779/4.7=2...(9) H ALA 16 - H LEU 64 lone 4 60 - 7 - 18/3.0=1 Peak 936 from nnoeabs.peaks (8.59, 8.38, 117.58 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.76: * H ARG 66 + H VAL 65 OK 76 100 - 76 - 4.6=42, 4.1/2669=14...(12) Peak 937 from nnoeabs.peaks (7.93, 8.59, 117.85 ppm; 3.38 A): 4 out of 6 assignments used, quality = 0.88: * H ASP 67 + H ARG 66 OK 76 100 - 76 - 276=43, 4.6/5812=12...(18) H ARG 70 + H ARG 66 OK 33 78 - 42 - 3924/3.0=4, 3.6/272=4...(18) H LYS 32 + H ARG 66 OK 16 97 - 16 - 3924/3.0=3, 91/4.0=2...(6) H LEU 29 + H ARG 66 OK 11 81 - 14 - 4714/4.1=2, 3924/3.0=1...(4) H ILE 33 - H ARG 66 poor 8 71 - 11 - 575/4.1=3, 575/4.1=2...(5) H VAL 76 - H ARG 66 poor 7 60 - 12 - 3.0/740=2, 812/3.0=1 Peak 938 from nnoeabs.peaks (8.44, 7.93, 121.56 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.80: * H ILE 68 + H ASP 67 OK 77 100 - 77 - 4.6=48, 287/3.9=16...(15) H ALA 20 + H ASP 67 OK 16 92 - 18 - 3932/3.9=4, 3933/3.9=4...(5) H GLU 87 - H ASP 67 poor 10 93 - 10 - 3933/3.9=2, 3931/3.0=2 Peak 939 from nnoeabs.peaks (7.98, 8.44, 120.04 ppm; 3.43 A): 6 out of 6 assignments used, quality = 0.89: * H ARG 69 + H ILE 68 OK 71 100 - 71 - 4.7=40, 4.4/2749=9...(13) H GLY 72 + H ILE 68 OK 35 99 - 35 - 5845/3.0=15, 5056/4.0=5...(8) H LYS 73 + H ILE 68 OK 16 93 - 17 - 5264/4.0=3, 3934/3.0=3...(6) H ALA 63 + H ILE 68 OK 14 100 - 14 - 3935/3.9=2, 3934/3.0=2...(6) H VAL 76 + H ILE 68 OK 12 76 - 15 - 3934/3.0=2, 3.0/5809=2...(8) H ALA 30 + H ILE 68 OK 11 100 - 11 - 4194/3.9=2, 3934/3.0=1...(4) Peak 940 from nnoeabs.peaks (7.95, 7.98, 119.32 ppm; 2.72 A): 3 out of 6 assignments used, quality = 0.65: * H ARG 70 + H ARG 69 OK 41 100 - 41 - 4.6=20, 5826/4.7=4...(10) H VAL 76 + H ARG 69 OK 28 99 - 28 - 3.0/5379=3, 3940/2.9=3...(12) H ASP 67 + H ARG 69 OK 17 78 - 22 - 4.6/288=6, 3.0/5819=4...(6) H LYS 32 - H ARG 69 poor 10 96 - 10 - 3.0/5379=1, 3940/2.9=1 H LEU 29 - H ARG 69 lone 10 100 - 10 - H ALA 63 - H ARG 69 poor 8 71 - 12 - 2.9/2609=1, 3.0/2606=1 Peak 942 from nnoeabs.peaks (7.99, 8.11, 117.98 ppm; 3.42 A): 5 out of 5 assignments used, quality = 0.92: * H GLY 72 + H ARG 71 OK 67 100 - 67 - 4.7=40, 5.0/2928=7...(13) H ARG 69 + H ARG 71 OK 46 99 - 47 - 3.6/5389=16, 5825=11...(9) H LYS 73 + H ARG 71 OK 38 99 - 39 - 4.5/5397=10, 5987/3.6=8...(7) H ALA 63 + H ARG 71 OK 18 95 - 19 - 3.0/775=3, 725/2.9=3...(7) H ALA 30 + H ARG 71 OK 15 99 - 15 - 5387/2.9=4, 79/4.6=2...(5) Peak 943 from nnoeabs.peaks (8.00, 7.99, 106.73 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H GLY 72 + H GLY 72 OK 99 99 - 100 Reference assignment not found: H LYS 73 - H GLY 72 Peak 944 from nnoeabs.peaks (8.15, 8.00, 120.49 ppm; 4.23 A): 4 out of 7 assignments used, quality = 0.92: * H ASN 74 + H LYS 73 OK 87 100 - 87 - 4.5=81, 4.3/787=12...(5) H ILE 89 + H LYS 73 OK 18 81 - 23 - 4.0/787=5, 876/3.0=5...(6) H LEU 57 + H LYS 73 OK 15 100 - 15 - 3.8/789=3, 691/4.9=2...(8) H ALA 78 + H LYS 73 OK 11 100 - 10 - 3963/3.0=2, 2.9/786=1...(4) H ARG 26 - H LYS 73 lone 8 81 - 10 - 322=2, 322/4.5=1 H ARG 27 - H LYS 73 lone 5 68 - 8 - H THR 88 - H LYS 73 lone 2 81 - 3 - Peak 4064 from nnoeabs.peaks (3.96, 7.46, 111.22 ppm; 4.89 A): 3 out of 10 assignments used, quality = 0.95: * HA GLN 61 + HE21 GLN 61 OK 88 100 - 88 - 5.7=62, 2529/3.5=23...(14) HA LYS 32 + HE21 GLN 61 OK 41 96 - 43 - 3.0/6065=10, 3.0/6065=10...(13) HA GLU 50 + HE21 GLN 61 OK 37 100 - 37 - 6133/1.7=7, 3.0/5672=7...(9) HA ALA 28 - HE21 GLN 61 OK 33 99 - 34 - 4174/4669=5, 4072/1.7=4...(12) HA2 GLY 21 - HE21 GLN 61 OK 30 95 - 32 - 5285/3.5=7, ~5285=6...(9) HA3 GLY 21 - HE21 GLN 61 OK 29 93 - 32 - 5285/3.5=7, ~5285=6...(9) HA VAL 76 - HE21 GLN 61 OK 16 100 - 16 - 4072/1.7=2, 3.0/5931=2...(7) HA THR 37 - HE21 GLN 61 OK 14 60 - 23 - ~3904=6, 5597/5549=3...(9) HA ARG 66 - HE21 GLN 61 OK 13 96 - 13 - 4072/1.7=2, 2549/3.5=1...(5) HA2 GLY 72 - HE21 GLN 61 lone 7 100 - 7 - Peak 4065 from nnoeabs.peaks (2.53, 7.46, 111.22 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 4.6=100 HG3 MET 31 + HE21 GLN 61 OK 91 100 - 91 - ~5930=21, 3.0/5931=18...(24) HB2 ASP 24 - HE21 GLN 61 OK 18 63 - 28 - 1.8/4067=5, ~4075=4...(9) HB3 ASP 46 - HE21 GLN 61 OK 11 81 - 13 - 2550/3.5=2, 4073/1.7=2...(4) Peak 4067 from nnoeabs.peaks (2.60, 7.46, 111.22 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 3.5=100 HG2 MET 31 + HE21 GLN 61 OK 55 73 - 75 - ~5930=13, 4075/1.7=10...(24) HB3 ASP 24 - HE21 GLN 61 OK 22 95 - 23 - 4075/1.7=4, 2560/3.5=3...(11) HB3 ASP 47 - HE21 GLN 61 OK 15 97 - 15 - 4075/1.7=3, 2560/3.5=2...(6) HB2 ASP 38 - HE21 GLN 61 poor 9 83 - 11 - 4075/1.7=2, 2560/3.5=1...(5) HB3 ASP 38 - HE21 GLN 61 poor 9 81 - 10 - 4075/1.7=2, 2560/3.5=1...(5) Peak 4068 from nnoeabs.peaks (2.16, 7.46, 111.22 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 3.5=100 HG3 PRO 44 - HE21 GLN 61 OK 44 81 - 55 - 4076/1.7=11, 2553/3.5=9...(17) Peak 4069 from nnoeabs.peaks (7.46, 7.46, 111.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE21 GLN 61 OK 100 100 - 100 Peak 4070 from nnoeabs.peaks (6.83, 7.46, 111.22 ppm; 2.69 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 1.7=100 QE TYR 55 - HE21 GLN 61 OK 11 90 - 13 - ~2377=2, 2555/3.5=2...(4) Peak 4072 from nnoeabs.peaks (3.96, 6.83, 111.22 ppm; 5.04 A): 3 out of 10 assignments used, quality = 0.97: * HA GLN 61 + HE22 GLN 61 OK 90 100 - 90 - 5.7=68, 2529/3.5=24...(13) HA GLU 50 + HE22 GLN 61 OK 42 100 - 42 - 6133=8, 2529/3.5=6...(11) HA LYS 32 + HE22 GLN 61 OK 38 96 - 40 - ~6065=8, 4064/1.7=6...(14) HA ALA 28 - HE22 GLN 61 OK 35 99 - 36 - 4174/4672=5, 4064/1.7=5...(10) HA2 GLY 21 - HE22 GLN 61 OK 32 95 - 34 - 5285/3.5=8, ~5285=6...(10) HA3 GLY 21 - HE22 GLN 61 OK 31 93 - 34 - 5285/3.5=8, ~5285=6...(10) HA VAL 76 - HE22 GLN 61 OK 18 100 - 18 - 4064/1.7=2, 2549/3.5=2...(8) HA ARG 66 - HE22 GLN 61 OK 15 96 - 15 - 4064/1.7=2, 2533/4.6=1...(6) HA THR 37 - HE22 GLN 61 OK 14 60 - 24 - ~3904=6, 5597/5548=3...(10) HA2 GLY 72 - HE22 GLN 61 lone 8 100 - 8 - 4064/1.7=1 Peak 4073 from nnoeabs.peaks (2.53, 6.83, 111.22 ppm; 5.17 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 4.6=100 HG3 MET 31 + HE22 GLN 61 OK 91 100 - 91 - 3.3/5930=26, 4065/1.7=16...(24) HB2 ASP 24 - HE22 GLN 61 OK 17 63 - 27 - 1.8/4075=5, ~4067=4...(9) HB3 ASP 46 - HE22 GLN 61 OK 10 81 - 12 - 2550/3.5=2, 4065/1.7=2...(4) Peak 4074 from nnoeabs.peaks (1.66, 6.83, 111.22 ppm; 5.23 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 4.6=100 HD3 LYS 13 - HE22 GLN 61 OK 29 99 - 30 - 5766/1.7=5, 2559/3.5=4...(9) HD2 LYS 13 - HE22 GLN 61 OK 29 99 - 30 - 5766/1.7=5, 2559/3.5=4...(9) HD2 LYS 75 - HE22 GLN 61 OK 26 100 - 26 - 5766/1.7=4, 2559/3.5=4...(9) HD3 LYS 75 - HE22 GLN 61 OK 26 100 - 26 - 5766/1.7=4, 2559/3.5=4...(9) HG LEU 29 - HE22 GLN 61 OK 15 92 - 17 - 2535/4.6=3, 5766/1.7=3...(7) HG2 ARG 23 - HE22 GLN 61 lone 9 97 - 10 - 2551/3.5=2, 5766/1.7=2...(4) HB3 LYS 13 - HE22 GLN 61 poor 8 78 - 10 - 5766/1.7=2, 2551/3.5=1...(4) HG3 ARG 27 - HE22 GLN 61 lone 3 65 - 4 - HG2 ARG 27 - HE22 GLN 61 lone 3 63 - 4 - Peak 4075 from nnoeabs.peaks (2.60, 6.83, 111.22 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 3.5=100 HG2 MET 31 + HE22 GLN 61 OK 56 73 - 77 - 3.3/5930=17, 1.8/4073=10...(24) HB3 ASP 24 - HE22 GLN 61 OK 22 95 - 23 - 4067/1.7=4, 2560/3.5=3...(11) HB3 ASP 47 - HE22 GLN 61 OK 15 97 - 16 - 4067/1.7=3, 2560/3.5=2...(6) HB2 ASP 38 - HE22 GLN 61 poor 9 83 - 11 - 4067/1.7=2, 2560/3.5=1...(5) HB3 ASP 38 - HE22 GLN 61 poor 9 81 - 10 - 4067/1.7=2, 2560/3.5=1...(5) Peak 4076 from nnoeabs.peaks (2.16, 6.83, 111.22 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 3.5=100 HG3 PRO 44 - HE22 GLN 61 OK 44 81 - 55 - 4068/1.7=12, 2553/3.5=9...(17) Peak 4077 from nnoeabs.peaks (7.46, 6.83, 111.22 ppm; 2.62 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 1.7=100 H LEU 52 - HE22 GLN 61 poor 7 60 - 12 - 3.6/5763=3, 4.6/4533=1...(6) HE21 GLN 79 - HE22 GLN 61 lone 2 87 - 2 - Peak 4078 from nnoeabs.peaks (6.83, 6.83, 111.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HE22 GLN 61 OK 100 100 - 100 Peak 4152 from nnoeabs.peaks (2.06, 8.21, 115.99 ppm; 4.67 A): 3 out of 17 assignments used, quality = 0.69: HB3 GLU 25 + H SER 22 OK 40 97 - 41 - 4155/3.9=8, 4153/2.9=7...(13) HB2 GLU 25 + H SER 22 OK 40 97 - 41 - 4155/3.9=8, 4153/2.9=7...(13) HB3 MET 31 + H SER 22 OK 16 99 - 15 - 3.0/6117=3, 1537/2.9=2...(8) HB2 GLU 50 - H SER 22 poor 9 73 - 12 - 4155/3.9=2, 4154/3.9=2...(6) HB3 GLU 50 - H SER 22 poor 9 73 - 12 - 4155/3.9=2, 4154/3.9=2...(6) HG2 PRO 44 - H SER 22 lone 8 89 - 9 - 4155/3.9=2, 4153/2.9=2...(4) HB VAL 76 - H SER 22 lone 8 83 - 10 - 3985=1 HB3 GLU 19 - H SER 22 lone 5 68 - 8 - 4155/3.9=1, 4153/2.9=1 HB3 PRO 44 - H SER 22 lone 4 68 - 6 - 3.0/505=1, ~4153=1 HB VAL 45 - H SER 22 lone 3 100 - 3 - HG2 PRO 56 - H SER 22 lone 2 65 - 3 - HB3 GLN 91 - H SER 22 lone 2 73 - 3 - HB2 GLU 59 - H SER 22 lone 2 65 - 2 - HB3 GLU 59 - H SER 22 lone 2 65 - 2 - HG2 PRO 36 - H SER 22 lone 1 60 - 2 - HB2 PRO 56 - H SER 22 lone 1 73 - 2 - HG3 PRO 56 - H SER 22 lone 1 68 - 2 - Peak 4156 from nnoeabs.peaks (4.01, 8.34, 120.23 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.59: HB2 SER 22 + H ASP 24 OK 54 100 - 54 - 1.8/5320=18, 5319=15...(7) HA ARG 70 + H ASP 24 OK 10 100 - 10 - ~4792=2, 40/4.6=2, 5085/4.6=1 HA ARG 54 - H ASP 24 lone 7 100 - 7 - 40/4.6=3 HA PHE 48 - H ASP 24 lone 3 78 - 4 - Peak 4169 from nnoeabs.peaks (4.49, 8.13, 119.29 ppm; 4.76 A): 2 out of 8 assignments used, quality = 0.56: HA ASP 24 + H ARG 26 OK 48 100 - 48 - 3.6/904=25, 5383/4.6=20...(5) HA ASP 67 + H ARG 26 OK 14 97 - 14 - 5383/4.6=3, ~5808=3...(6) HA ASP 46 - H ARG 26 lone 10 99 - 10 - 51/4.6=5, 5383/4.6=2 HA TYR 81 - H ARG 26 lone 2 65 - 4 - HA ASP 24 - H ASN 74 lone 2 58 - 3 - 3.6/904=1 HA TYR 81 - H ASN 74 lone 2 31 - 6 - 4.8/796=2, ~5449=1, 6059/4.3=1 HA ASP 46 - H ASN 74 lone 1 57 - 2 - HA ASP 67 - H ASN 74 lone 1 54 - 2 - Peak 4171 from nnoeabs.peaks (0.83, 8.21, 122.47 ppm; 4.13 A): 6 out of 14 assignments used, quality = 0.90: QD2 LEU 64 + H ALA 28 OK 54 96 - 56 - 5162/2.9=13, 4173/3.0=11...(15) QG2 ILE 68 + H ALA 28 OK 37 73 - 50 - ~5302=13, ~4758=10...(10) QD2 LEU 29 + H ALA 28 OK 32 96 - 34 - 4.8/76=11, 4177/2.9=7...(9) QG2 ILE 89 + H ALA 28 OK 27 98 - 28 - 5521/4.6=5, 4177/2.9=5...(9) QG2 ILE 89 + H ARG 84 OK 19 82 - 23 - 3612/3.0=4, ~3605=2...(10) QD2 LEU 86 + H ALA 28 OK 18 100 - 18 - 4177/2.9=4, 550/4.6=3...(5) QD2 LEU 29 - H ARG 84 OK 17 78 - 22 - 4.8/76=4, 1512/3.0=2...(8) QD1 LEU 43 - H ALA 28 OK 16 100 - 16 - 4173/3.0=3, 4177/2.9=3...(5) QD1 ILE 89 - H ARG 84 OK 11 61 - 19 - 3633/3.0=3, ~3619=2...(8) QD1 ILE 89 - H ALA 28 OK 11 78 - 14 - 5928/3.0=2, ~4177=2...(6) QD2 LEU 64 - H ARG 84 OK 10 78 - 13 - 5015=2, 2.1/5013=2 QD1 LEU 43 - H ARG 84 poor 9 86 - 10 - 5357/3.6=2 QD2 LEU 86 - H ARG 84 lone 6 86 - 7 - QG2 ILE 68 - H ARG 84 lone 3 57 - 5 - 2.9/5909=1 Peak 4184 from nnoeabs.peaks (4.09, 7.95, 119.22 ppm; 3.70 A): 6 out of 6 assignments used, quality = 0.77: HA GLU 25 + H LEU 29 OK 26 100 - 26 - 4181/3.6=8, 5347/4.6=4...(8) HA ARG 71 + H LEU 29 OK 26 95 - 27 - 2.9/303=4, 5348/4.0=4...(11) HA ALA 63 + H LEU 29 OK 22 65 - 34 - 3.0/908=7, 5348/4.0=7...(12) HA ARG 27 + H LEU 29 OK 21 65 - 32 - 3.6/76=12, 5.0/78=10...(5) HA ARG 26 + H LEU 29 OK 19 83 - 24 - 4181/3.6=5, 5348/4.0=3...(9) HA VAL 90 + H LEU 29 OK 16 95 - 17 - 5348/4.0=3, 4186/4.0=2...(8) Peak 4192 from nnoeabs.peaks (0.85, 7.71, 115.23 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.93: QD2 LEU 64 + H MET 31 OK 62 100 - 62 - 5021/4.7=14, 5311/4.7=12...(16) QD2 LEU 29 + H MET 31 OK 52 100 - 52 - 4.8/5525=12, 85/4.5=8...(11) QD1 LEU 43 + H MET 31 OK 45 87 - 51 - 6121/4.0=8, 4200/4.7=8...(12) QG2 ILE 89 + H MET 31 OK 34 99 - 34 - 6121/4.0=4, 5536/3.6=4...(12) QD2 LEU 86 - H MET 31 OK 21 92 - 22 - 85/4.5=4, 4188/3.6=3...(10) QD1 LEU 62 - H MET 31 OK 12 65 - 19 - 3.1/5777=5, 4.8/246=4...(6) Peak 4193 from nnoeabs.peaks (3.96, 7.71, 115.23 ppm; 4.18 A): 4 out of 12 assignments used, quality = 0.94: HA ALA 28 + H MET 31 OK 61 100 - 61 - 4182=13, 3.6/5525=12...(13) HA GLN 61 + H MET 31 OK 56 99 - 57 - 3.0/559=12, ~1529=6...(16) HA LYS 32 + H MET 31 OK 43 83 - 52 - 3.0/89=20, ~90=12...(13) HA GLU 50 + H MET 31 OK 35 99 - 35 - 2179=5, 3.6/187=3...(15) HA VAL 76 - H MET 31 OK 21 97 - 22 - 3.0/910=3, 4203/4.0=2...(10) HA ARG 66 - H MET 31 OK 18 83 - 21 - 3.6/910=3, 3.0/556=3...(10) HA2 GLY 72 - H MET 31 OK 13 99 - 13 - 3.0/86=3, 3.6/86=2, 4841/4.5=1 HA2 GLY 21 - H MET 31 lone 9 100 - 9 - 4203/4.0=1, 4151/4.0=1 HA3 GLY 21 - H MET 31 lone 9 99 - 9 - 4203/4.0=1, 4151/4.0=1 HA THR 37 - H MET 31 lone 6 81 - 8 - HA3 GLY 18 - H MET 31 lone 1 63 - 2 - HA2 GLY 18 - H MET 31 lone 1 60 - 2 - Peak 4194 from nnoeabs.peaks (1.89, 7.98, 123.05 ppm; 4.84 A): 4 out of 11 assignments used, quality = 0.65: HB3 ARG 26 + H ALA 30 OK 27 99 - 28 - 3.0/5387=6, 5537/2.9=5...(7) HB2 ARG 26 + H ALA 30 OK 27 99 - 28 - 3.0/5387=6, 5537/2.9=5...(7) HB ILE 68 + H ALA 30 OK 21 97 - 22 - 3935=4, 3.2/3939=3...(8) HB2 ARG 66 + H ALA 30 OK 16 97 - 16 - 3.0/4841=3, 2.8/81=2...(4) HG12 ILE 40 - H ALA 30 lone 6 87 - 7 - 3.2/4326=2 HB3 PRO 14 - H ALA 30 lone 5 100 - 5 - 4.0/5538=2 HB2 GLN 91 - H ALA 30 lone 5 97 - 5 - HB3 PRO 34 - H ALA 30 lone 4 95 - 4 - HB2 MET 11 - H ALA 30 lone 3 100 - 3 - HB3 GLU 87 - H ALA 30 lone 2 81 - 3 - HB2 GLU 19 - H ALA 30 lone 2 76 - 2 - Peak 4205 from nnoeabs.peaks (4.15, 7.94, 118.73 ppm; 3.95 A): 4 out of 11 assignments used, quality = 0.72: HA LEU 29 + H LYS 32 OK 44 95 - 46 - 5188/4.6=12, 3.6/79=6...(14) HA ALA 30 + H LYS 32 OK 36 96 - 37 - 3.6/89=15, 2.1/5541=8...(7) HA LYS 73 + H LYS 32 OK 14 66 - 22 - 5188/4.6=3, ~5987=3...(9) HA ASN 49 + H LYS 32 OK 11 98 - 11 - 3.6/89=3, 3848/4.6=3, 5179/4.6=1 HA ALA 53 - H LYS 32 lone 7 90 - 8 - ~4549=2, 4560/4.6=2, ~4962=1 HA ILE 89 - H LYS 32 lone 5 78 - 6 - 5179/4.6=2, 4.0/5541=2 HA ARG 23 - H LYS 32 lone 2 81 - 3 - HA ARG 82 - H LYS 32 lone 2 60 - 3 - HA GLN 91 - H LYS 32 lone 2 93 - 2 - HB THR 15 - H LYS 32 lone 1 83 - 2 - HB THR 88 - H LYS 32 lone 1 63 - 1 - Peak 4248 from nnoeabs.peaks (0.30, 6.31, 116.43 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.73: QG2 ILE 33 + H PHE 35 OK 73 100 - 73 - 4209=34, 4208/4.5=10...(19) Peak 4249 from nnoeabs.peaks (1.21, 6.31, 116.43 ppm; 4.77 A): 3 out of 7 assignments used, quality = 0.94: HG13 ILE 33 + H PHE 35 OK 83 99 - 84 - 3.2/4248=45, 2.1/5351=31...(11) QG2 VAL 65 + H PHE 35 OK 45 100 - 45 - 4727/4248=21, 4562/4.5=7...(9) HG13 ILE 40 + H PHE 35 OK 38 83 - 46 - 4320/4.5=20, 2.1/109=17...(9) QG1 VAL 65 - H PHE 35 OK 32 81 - 40 - 5031/4.5=19, 4719/6.5=5...(9) HG LEU 52 - H PHE 35 OK 19 90 - 21 - 4562/4.5=7, 4576/6.5=5...(6) HG2 ARG 69 - H PHE 35 poor 8 60 - 13 - 5254/4.8=3, 1675/4248=2...(4) QG2 THR 15 - H PHE 35 lone 2 83 - 2 - Peak 4250 from nnoeabs.peaks (3.87, 6.31, 116.43 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: HD2 PRO 36 + H PHE 35 OK 98 100 - 98 - 4.8=78, 4263/3.0=42...(19) HA ILE 33 + H PHE 35 OK 79 89 - 89 - 3.2/4248=41, 3.0/5547=22...(17) HA LEU 51 - H PHE 35 OK 26 81 - 33 - 4599/4.5=6, 4258/4.0=6...(11) HB3 SER 22 - H PHE 35 poor 10 78 - 12 - 5497/4.0=2, 4599/4.5=2 HB3 SER 60 - H PHE 35 lone 1 57 - 2 - HB2 SER 60 - H PHE 35 lone 1 57 - 2 - Peak 4290 from nnoeabs.peaks (4.60, 8.70, 119.49 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.82: HA PRO 36 + H ASP 38 OK 80 100 - 80 - 3.6/912=33, 2.3/6126=32...(7) HA ASN 74 + H ASP 38 OK 10 96 - 11 - 4886/3.6=2, 112/4.6=2...(5) HA ASN 80 - H ASP 38 lone 3 85 - 4 - Peak 4291 from nnoeabs.peaks (2.45, 8.70, 119.49 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.85: HB3 PRO 36 + H ASP 38 OK 83 100 - 83 - 1.8/6126=31, 2.3/4290=28...(7) HB2 PRO 44 + H ASP 38 OK 13 63 - 22 - 4880=4, 114/4.6=4...(7) HG2 MET 11 - H ASP 38 lone 7 100 - 6 - 114/4.6=2, 1782/6126=1...(4) Peak 4292 from nnoeabs.peaks (2.12, 8.70, 119.49 ppm; 3.65 A): 4 out of 10 assignments used, quality = 0.97: HB2 PRO 36 + H ASP 38 OK 77 98 - 78 - 1.8/4291=24, 6126=23...(12) HG3 PRO 36 + H ASP 38 OK 54 83 - 65 - 2.3/4291=21, 2.3/6126=21...(12) HG2 PRO 36 + H ASP 38 OK 50 78 - 64 - 2.3/4291=21, 2.3/6126=21...(12) HB ILE 40 + H ASP 38 OK 46 99 - 47 - 3.9/4888=12, 4309/3.6=9...(11) HB3 PRO 44 - H ASP 38 OK 12 71 - 16 - 1.8/4291=4, 2076/6126=2...(8) HG3 PRO 44 - H ASP 38 OK 10 71 - 15 - 2.3/4291=3, 1774/4290=2...(5) HG3 PRO 56 - H ASP 38 lone 4 71 - 6 - HB2 PRO 56 - H ASP 38 lone 4 65 - 5 - HB3 GLU 59 - H ASP 38 lone 3 73 - 4 - HB2 GLU 59 - H ASP 38 lone 3 73 - 4 - Peak 4294 from nnoeabs.peaks (2.11, 7.39, 117.25 ppm; 3.81 A): 4 out of 10 assignments used, quality = 0.96: HB2 PRO 36 + H LYS 39 OK 67 95 - 71 - 4867=19, 1.8/4881=18...(17) HG3 PRO 36 + H LYS 39 OK 56 90 - 62 - 2.3/4867=19, 2.3/4881=17...(15) HG2 PRO 36 + H LYS 39 OK 53 87 - 61 - 2.3/4867=19, 2.3/4881=17...(14) HB ILE 40 + H LYS 39 OK 44 96 - 46 - 3.9/127=20, 4.5/5632=13...(11) HB3 PRO 44 - H LYS 39 OK 11 81 - 14 - 4393/4.6=3, 1.8/4881=2...(4) HG3 PRO 44 - H LYS 39 poor 6 60 - 10 - 603/4.6=3, 2.3/4881=2 HG3 PRO 56 - H LYS 39 lone 5 81 - 7 - 4868=1 HB2 PRO 56 - H LYS 39 lone 5 76 - 6 - 2.3/4868=1 HB3 GLU 59 - H LYS 39 lone 3 83 - 4 - HB2 GLU 59 - H LYS 39 lone 3 83 - 4 - Peak 4295 from nnoeabs.peaks (0.81, 7.24, 115.36 ppm; 4.38 A): 3 out of 6 assignments used, quality = 0.97: QG2 ILE 68 + H ILE 40 OK 80 100 - 80 - 5249/4.9=19, 4753/3.9=16...(27) QG1 VAL 41 + H ILE 40 OK 74 90 - 81 - 2.1/4330=22, 4.0/137=21...(19) QD1 LEU 43 + H ILE 40 OK 49 87 - 56 - 2.1/4918=10, 4703/3.0=8...(17) QD1 ILE 89 - H ILE 40 OK 18 100 - 18 - 4296/3.0=2, 4298/4.0=2...(6) QD2 LEU 86 - H ILE 40 lone 8 81 - 10 - 5111/4.4=2 QG2 ILE 89 - H ILE 40 lone 4 57 - 7 - ~4296=1, ~5124=1, 4296/3.0=1 Peak 4308 from nnoeabs.peaks (3.94, 7.24, 115.36 ppm; 4.03 A): 9 out of 11 assignments used, quality = 0.94: HA THR 37 + H ILE 40 OK 79 100 - 79 - 4266=33, 3.6/4888=15...(13) HA LEU 62 + H ILE 40 OK 27 92 - 30 - 4310/4.0=4, 4309/3.9=4...(14) HA GLU 50 + H ILE 40 OK 17 71 - 24 - 3.6/4943=7, 3.0/4508=5...(6) HA3 GLY 18 + H ILE 40 OK 15 97 - 15 - 4309/3.9=3, 4310/4.0=3...(5) HA2 GLY 18 + H ILE 40 OK 15 97 - 15 - 4309/3.9=3, 4310/4.0=3...(5) HA ALA 28 + H ILE 40 OK 14 85 - 16 - 4313/4.9=2, 4905/4.7=2...(7) HA2 GLY 72 + H ILE 40 OK 12 73 - 16 - ~5492=3, 4796/4.0=2...(6) HA3 GLY 21 + H ILE 40 OK 11 96 - 11 - 4309/3.9=1, 4310/4.0=1...(4) HA2 GLY 21 + H ILE 40 OK 11 95 - 11 - 4309/3.9=1, 4310/4.0=1...(4) HA VAL 76 - H ILE 40 poor 7 60 - 12 - 4.7/128=2 HA GLN 61 - H ILE 40 poor 7 68 - 10 - 4509=2 Peak 4332 from nnoeabs.peaks (4.26, 7.63, 114.41 ppm; 4.25 A): 4 out of 12 assignments used, quality = 0.92: HA LYS 39 + H VAL 41 OK 65 93 - 69 - 3.0/5632=25, 3.6/137=22...(12) HA ASP 38 + H VAL 41 OK 65 92 - 70 - 3.6/5632=22, 4287=21...(13) HA LEU 64 + H VAL 41 OK 31 100 - 32 - 6071/4.0=8, 4337/4.0=5...(9) HA LYS 75 + H VAL 41 OK 13 83 - 16 - 4337/4.0=3, 4334/4.0=2...(7) HA GLU 19 - H VAL 41 lone 10 99 - 10 - 4333/3.9=2, 4337/4.0=1 HA ALA 20 - H VAL 41 lone 8 100 - 8 - 4333/3.9=1, 4337/4.0=1 HA THR 15 - H VAL 41 lone 6 87 - 7 - HA LYS 83 - H VAL 41 lone 5 81 - 6 - HA SER 60 - H VAL 41 lone 4 93 - 4 - HA ALA 12 - H VAL 41 lone 3 99 - 3 - HA ARG 17 - H VAL 41 lone 3 93 - 3 - HA THR 88 - H VAL 41 lone 2 90 - 2 - Peak 4354 from nnoeabs.peaks (4.25, 7.72, 113.33 ppm; 4.16 A): 4 out of 15 assignments used, quality = 0.83: HA LYS 39 + H ASN 42 OK 64 100 - 64 - 5790=23, 3.6/5633=11...(11) HA LEU 64 + H ASN 42 OK 35 98 - 35 - 4694/4.6=11, 6071/4.1=7...(9) HA ASP 38 + H ASN 42 OK 21 63 - 33 - 4287/4.6=6, 5355/4.4=5...(9) HA LYS 75 + H ASN 42 OK 11 99 - 11 - 4337/4.1=3, 4334/4.1=2...(4) HA GLU 19 - H ASN 42 lone 9 99 - 9 - 4337/4.1=1, 4333/4.4=1 HA LYS 83 - H ASN 42 lone 8 99 - 8 - 3.0/5635=1, 4371/4.6=1 HA ALA 20 - H ASN 42 lone 7 97 - 7 - 4337/4.1=1, 4334/4.1=1 HB THR 37 - H ASN 42 poor 6 63 - 10 - 4283/4.1=3, 4882/4.1=2 HA THR 15 - H ASN 42 lone 5 100 - 5 - HA LYS 85 - H ASN 42 lone 5 78 - 6 - 4371/4.6=2, 3.0/5635=2 HA ALA 77 - H ASN 42 lone 4 87 - 5 - HA ALA 12 - H ASN 42 lone 3 99 - 3 - HA SER 60 - H ASN 42 lone 3 65 - 4 - HA ARG 17 - H ASN 42 lone 3 65 - 4 - HA THR 88 - H ASN 42 lone 2 60 - 2 - Peak 4356 from nnoeabs.peaks (4.28, 7.62, 113.85 ppm; 4.43 A): 3 out of 11 assignments used, quality = 0.87: HA ASP 38 + HD21 ASN 42 OK 74 100 - 75 - 4287=24, 4357/1.7=17...(16) HA LYS 39 + HD21 ASN 42 OK 39 71 - 55 - 3.6/915=12, 6082=12...(10) HA LEU 64 + HD21 ASN 42 OK 18 92 - 20 - 4357/1.7=4, 4355/3.5=2...(8) HA GLU 19 - HD21 ASN 42 lone 6 87 - 7 - 4357/1.7=2 HA ALA 20 - HD21 ASN 42 lone 5 93 - 5 - 4357/1.7=1 HA SER 60 - HD21 ASN 42 lone 3 100 - 3 - HA ARG 17 - HD21 ASN 42 lone 3 100 - 3 - HA THR 88 - HD21 ASN 42 lone 3 100 - 3 - HA ALA 12 - HD21 ASN 42 lone 3 89 - 3 - HA THR 15 - HD21 ASN 42 lone 2 60 - 3 - HA LEU 86 - HD21 ASN 42 lone 1 65 - 2 - Peak 4357 from nnoeabs.peaks (4.27, 6.94, 113.85 ppm; 4.40 A): 3 out of 12 assignments used, quality = 0.82: HA ASP 38 + HD22 ASN 42 OK 66 99 - 67 - 4287/1.7=20, 4887=15...(15) HA LYS 39 + HD22 ASN 42 OK 37 81 - 46 - 6082/1.7=11, 5202/3.5=9...(9) HA LEU 64 + HD22 ASN 42 OK 16 97 - 17 - 4356/1.7=4, 4355/3.5=2...(5) HA GLU 19 - HD22 ASN 42 lone 6 93 - 6 - 4356/1.7=1 HA ALA 20 - HD22 ASN 42 lone 5 97 - 5 - 4356/1.7=1 HA SER 60 - HD22 ASN 42 lone 3 99 - 3 - HA LYS 75 - HD22 ASN 42 lone 3 65 - 5 - HA ARG 17 - HD22 ASN 42 lone 3 99 - 3 - HA ALA 12 - HD22 ASN 42 lone 3 95 - 3 - HA THR 88 - HD22 ASN 42 lone 2 98 - 2 - HA THR 15 - HD22 ASN 42 lone 2 71 - 3 - HA LYS 83 - HD22 ASN 42 lone 2 63 - 3 - Peak 4358 from nnoeabs.peaks (2.62, 7.62, 113.85 ppm; 4.26 A): 3 out of 4 assignments used, quality = 0.92: HB3 ASP 38 + HD21 ASN 42 OK 68 100 - 68 - 3.0/4287=16, 4359/1.7=16...(10) HB2 ASP 38 + HD21 ASN 42 OK 68 100 - 68 - 3.0/4287=16, 4359/1.7=15...(10) HG2 MET 31 + HD21 ASN 42 OK 16 100 - 16 - 4359/1.7=4, 3.0/4906=3...(5) HG2 GLN 61 - HD21 ASN 42 lone 2 76 - 3 - Peak 4359 from nnoeabs.peaks (2.63, 6.94, 113.85 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.86: HB3 ASP 38 + HD22 ASN 42 OK 60 95 - 63 - 4358/1.7=16, 3.0/4357=14...(8) HB2 ASP 38 + HD22 ASN 42 OK 59 93 - 63 - 4358/1.7=16, 3.0/4357=14...(8) HG2 MET 31 + HD22 ASN 42 OK 15 97 - 15 - 4358/1.7=4, 4.7/5088=3...(5) Peak 4363 from nnoeabs.peaks (0.94, 7.62, 113.85 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.95: QG2 VAL 41 + HD21 ASN 42 OK 84 98 - 85 - 4.1/5089=21, 1979=19...(18) QG2 ILE 40 + HD21 ASN 42 OK 72 93 - 77 - 3816=17, 2.1/3815=15...(23) HG12 ILE 68 - HD21 ASN 42 OK 35 76 - 47 - 1.8/4906=9, 3.2/5041=9...(15) QD2 LEU 43 - HD21 ASN 42 OK 17 100 - 17 - 148/5.7=2, 2.1/4364=2...(6) QD1 LEU 64 - HD21 ASN 42 OK 15 97 - 15 - 3.9/4356=3, 148/5.7=1 QD2 LEU 62 - HD21 ASN 42 lone 8 93 - 9 - QG2 VAL 76 - HD21 ASN 42 lone 5 76 - 6 - QG1 VAL 76 - HD21 ASN 42 lone 5 76 - 6 - Peak 4364 from nnoeabs.peaks (0.81, 7.62, 113.85 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.95: QG1 VAL 41 + HD21 ASN 42 OK 85 96 - 89 - 4367/1.7=22, 4340/4.4=20...(18) QG2 ILE 68 + HD21 ASN 42 OK 54 100 - 54 - 4367/1.7=13, 5041=11...(19) QD1 ILE 68 + HD21 ASN 42 OK 31 65 - 47 - 2.9/5041=9, 2.1/4906=9...(16) QD1 LEU 43 - HD21 ASN 42 OK 11 78 - 13 - 4367/1.7=3, 2.1/4363=3...(4) QD1 ILE 89 - HD21 ASN 42 lone 9 100 - 9 - 4367/1.7=2 QD2 LEU 86 - HD21 ASN 42 lone 2 71 - 3 - Peak 4365 from nnoeabs.peaks (1.91, 6.94, 113.85 ppm; 4.81 A): 3 out of 10 assignments used, quality = 0.96: HB VAL 41 + HD22 ASN 42 OK 74 87 - 85 - 2.1/4367=23, 4.4/5088=20...(16) HG12 ILE 40 + HD22 ASN 42 OK 72 99 - 73 - 3817/1.7=13, ~3815=10...(19) HG13 ILE 68 + HD22 ASN 42 OK 44 96 - 46 - 3.2/4367=11, 1.8/4366=8...(11) HB ILE 68 - HD22 ASN 42 OK 43 92 - 47 - 2.1/4367=14, ~5041=9...(9) HB2 MET 31 - HD22 ASN 42 OK 15 73 - 20 - 4.0/5088=4, 3.0/4359=4...(5) HB2 GLU 19 - HD22 ASN 42 lone 6 100 - 6 - 3.0/4357=1 HB3 PRO 14 - HD22 ASN 42 lone 3 71 - 4 - HB3 GLU 87 - HD22 ASN 42 lone 3 100 - 3 - HB2 MET 11 - HD22 ASN 42 lone 2 65 - 2 - HB2 GLN 91 - HD22 ASN 42 lone 2 92 - 2 - Peak 4366 from nnoeabs.peaks (0.92, 6.94, 113.85 ppm; 4.77 A): 3 out of 10 assignments used, quality = 0.97: QG2 VAL 41 + HD22 ASN 42 OK 77 89 - 87 - 2.1/4367=23, 4.1/5088=21...(16) QG2 ILE 40 + HD22 ASN 42 OK 73 96 - 76 - 3816/1.7=16, ~3815=12...(21) HG12 ILE 68 + HD22 ASN 42 OK 49 100 - 50 - 3.2/4367=11, ~5041=8...(13) QD2 LEU 43 - HD22 ASN 42 OK 11 65 - 16 - 2.1/4367=3, 148/5.7=2...(6) QD2 LEU 62 - HD22 ASN 42 lone 9 96 - 10 - QG2 VAL 76 - HD22 ASN 42 lone 6 100 - 6 - QG1 VAL 76 - HD22 ASN 42 lone 6 100 - 6 - HG LEU 51 - HD22 ASN 42 lone 5 68 - 7 - 2.1/4528=2, 2.1/4532=1 QG1 VAL 90 - HD22 ASN 42 lone 2 87 - 2 - QG2 VAL 90 - HD22 ASN 42 lone 2 85 - 2 - Peak 4367 from nnoeabs.peaks (0.81, 6.94, 113.85 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.86: QG1 VAL 41 + HD22 ASN 42 OK 75 89 - 85 - 4340/4.4=17, 4.1/5088=17...(15) QG2 ILE 68 + HD22 ASN 42 OK 44 100 - 45 - 4364/1.7=10, 3.2/4366=5...(17) QD1 LEU 43 - HD22 ASN 42 poor 10 89 - 11 - 4364/1.7=2, ~4363=2, 2.1/4366=1 QD1 ILE 89 - HD22 ASN 42 lone 7 100 - 7 - 4364/1.7=2 QD2 LEU 86 - HD22 ASN 42 lone 2 83 - 2 - QG2 ILE 89 - HD22 ASN 42 lone 2 60 - 3 - Peak 4371 from nnoeabs.peaks (4.24, 7.52, 120.92 ppm; 4.01 A): 3 out of 11 assignments used, quality = 0.70: HA LYS 39 + H LEU 43 OK 41 97 - 43 - 6081=14, 5790/4.6=12...(7) HA LEU 64 + H LEU 43 OK 39 83 - 47 - 4694=11, 5357/4.8=7...(15) HA LYS 85 + H LEU 43 OK 16 97 - 17 - 3.0/621=3, 5357/4.8=3...(6) HA LYS 83 - H LEU 43 lone 9 100 - 8 - 5357/4.8=1, 3.0/621=1 HA LYS 75 - H LEU 43 lone 6 100 - 6 - 5357/4.8=1, 4354/4.6=1 HA ALA 77 - H LEU 43 lone 4 99 - 4 - HA GLU 19 - H LEU 43 lone 4 89 - 4 - HB THR 37 - H LEU 43 lone 4 89 - 4 - HA THR 15 - H LEU 43 lone 4 99 - 4 - HA ALA 20 - H LEU 43 lone 3 81 - 3 - HA ALA 12 - H LEU 43 lone 2 87 - 2 - Peak 4372 from nnoeabs.peaks (3.64, 7.52, 120.92 ppm; 4.28 A): 3 out of 4 assignments used, quality = 0.78: HA ILE 40 + H LEU 43 OK 54 100 - 54 - 5610=14, 3.6/5631=13...(10) HD3 PRO 14 + H LEU 43 OK 45 85 - 53 - 4802/3.0=13, 3.8/620=11...(10) HA VAL 65 + H LEU 43 OK 16 100 - 16 - 4703/4.8=4, 4388/4.8=3...(5) HA ARG 69 - H LEU 43 lone 9 99 - 9 - 4703/4.8=2, 138/5631=1 Peak 4426 from nnoeabs.peaks (4.04, 7.27, 119.22 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.96: HD2 PRO 44 + H ASP 47 OK 82 100 - 82 - 2.3/6064=23, 3.0/4393=19...(15) HA PHE 48 + H ASP 47 OK 77 96 - 81 - 3.0/171=33, 3.0/4428=27...(19) HA GLU 59 - H ASP 47 OK 16 100 - 16 - 4434/4.1=2, 4436/4.1=2...(7) HA ALA 63 - H ASP 47 lone 3 81 - 3 - HA ARG 26 - H ASP 47 lone 1 63 - 2 - Peak 4427 from nnoeabs.peaks (3.68, 7.27, 119.22 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.95: HD3 PRO 44 + H ASP 47 OK 77 96 - 81 - 2.3/6064=21, 5644/4.1=18...(19) HA VAL 45 + H ASP 47 OK 77 97 - 79 - 3.5/919=27, 3.2/4424=17...(19) HD3 PRO 56 - H ASP 47 OK 31 95 - 32 - 2.3/4431=4, 2.3/6063=4...(15) HD2 PRO 56 - H ASP 47 OK 31 95 - 32 - 2.3/4431=4, 2.3/6063=4...(15) Peak 4428 from nnoeabs.peaks (3.12, 7.27, 119.22 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.76: HB2 PHE 48 + H ASP 47 OK 76 99 - 77 - 4.0/171=30, 1.8/4429=22...(13) HD2 ARG 71 - H ASP 47 lone 3 78 - 4 - 641/4.6=1 HD2 ARG 84 - H ASP 47 lone 3 60 - 5 - 641/4.6=2 Peak 4429 from nnoeabs.peaks (2.88, 7.27, 119.22 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.89: HB3 PHE 48 + H ASP 47 OK 73 100 - 73 - 1.8/4428=31, 4.0/171=26...(15) HB2 ASN 49 + H ASP 47 OK 53 81 - 66 - 4.0/4491=18, 1.8/637=17...(14) HB2 ASP 67 + H ASP 47 OK 16 81 - 20 - 3.0/3838=6, 2735/3.6=5 HB2 PHE 35 - H ASP 47 poor 7 73 - 10 - 642/4.6=2, 2151/4428=1 Peak 4431 from nnoeabs.peaks (2.09, 7.27, 119.22 ppm; 3.56 A): 7 out of 9 assignments used, quality = 0.89: HB3 PRO 44 + H ASP 47 OK 64 100 - 64 - 2.3/6064=15, 4393=14...(12) HB VAL 45 + H ASP 47 OK 38 76 - 50 - 4.4/919=14, 2.1/4424=13...(8) HG3 PRO 56 + H ASP 47 OK 18 100 - 18 - 2.3/4427=3, 2.3/4427=3...(4) HB2 PRO 56 + H ASP 47 OK 17 100 - 17 - 3.0/4427=3, 3.0/4427=3...(4) HG2 PRO 36 + H ASP 47 OK 11 100 - 11 - 2.3/6064=4, 2.3/4392=2 HG3 PRO 36 + H ASP 47 OK 11 99 - 11 - 2.3/6064=4, 2.3/4392=2 HB3 MET 31 + H ASP 47 OK 11 87 - 12 - 4.0/6130=2, 3.0/170=2, 4393=1 HB3 GLU 59 - H ASP 47 lone 5 100 - 5 - 3.0/4426=2 HB2 GLU 59 - H ASP 47 lone 5 100 - 5 - 3.0/4426=2 Peak 4432 from nnoeabs.peaks (0.97, 7.27, 119.22 ppm; 4.23 A): 4 out of 4 assignments used, quality = 0.88: QG1 VAL 45 + H ASP 47 OK 69 87 - 79 - 4.2/919=22, 4424=19...(16) QD2 LEU 43 + H ASP 47 OK 49 76 - 65 - 4907/4.1=15, 3.1/4456=13...(16) QD1 LEU 64 + H ASP 47 OK 18 95 - 19 - 2.1/4933=4, 5310/4.1=3...(6) QD1 LEU 57 + H ASP 47 OK 10 63 - 16 - 166/4.6=4, 4445/4.6=3...(5) Peak 4438 from nnoeabs.peaks (8.63, 7.27, 119.22 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.96: H ASN 49 + H ASP 47 OK 86 96 - 90 - 4491=31, 4.6/171=22...(18) H VAL 45 + H ASP 47 OK 74 93 - 80 - 4.6/919=21, 5651=16...(16) Peak 4451 from nnoeabs.peaks (3.69, 8.77, 123.38 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.93: HA VAL 45 + H PHE 48 OK 84 100 - 84 - 4407/4.0=25, 3834=23...(15) HD3 PRO 44 + H PHE 48 OK 57 73 - 77 - 1.8/640=15, 3.0/5131=13...(23) HD3 PRO 56 - H PHE 48 OK 24 100 - 24 - 4455/4.0=3, 4427/4.6=2...(12) HD2 PRO 56 - H PHE 48 OK 24 100 - 24 - 4455/4.0=3, 4427/4.6=2...(12) Peak 4452 from nnoeabs.peaks (7.72, 8.77, 123.38 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.93: H GLU 50 + H PHE 48 OK 85 100 - 85 - 5671=29, 181/4.6=25...(15) H ASN 42 + H PHE 48 OK 41 100 - 41 - 4.6/5660=9, 5290/3.0=8...(9) H MET 31 + H PHE 48 OK 23 90 - 26 - 5290/3.0=5, 4454/3.6=4...(8) Peak 4456 from nnoeabs.peaks (1.43, 7.27, 119.22 ppm; 4.75 A): 4 out of 7 assignments used, quality = 0.87: HB3 LEU 43 + H ASP 47 OK 75 100 - 75 - 4912/4.1=19, 3.1/4918=15...(14) HG13 ILE 89 + H ASP 47 OK 27 100 - 28 - 4442/4.1=5, 3.2/4933=4...(9) QB ALA 30 + H ASP 47 OK 15 97 - 16 - 3.6/6130=4, 4459/4.6=2...(5) HG2 LYS 13 + H ASP 47 OK 12 97 - 13 - 4442/4.1=2, 4443/4.1=2...(4) HG12 ILE 33 - H ASP 47 lone 9 97 - 9 - 4442/4.1=2, 4459/4.6=1 HG3 LYS 13 - H ASP 47 lone 7 78 - 9 - 4459/4.6=2, 4442/4.1=2 HG3 LYS 85 - H ASP 47 lone 5 85 - 6 - 4459/4.6=1 Peak 4457 from nnoeabs.peaks (2.06, 8.77, 123.38 ppm; 4.73 A): 3 out of 15 assignments used, quality = 0.97: HG2 PRO 44 + H PHE 48 OK 81 97 - 83 - 2.3/5131=20, 2.3/5132=17...(21) HB VAL 45 + H PHE 48 OK 74 99 - 76 - 2.1/3837=20, 3835=19...(16) HB3 GLU 50 + H PHE 48 OK 42 89 - 47 - 3.9/5671=16, 4.7/5678=15...(7) HB2 GLU 50 - H PHE 48 OK 42 89 - 47 - 3.9/5671=16, 4.7/5678=15...(7) HG2 PRO 56 - H PHE 48 OK 23 83 - 27 - 2.3/4451=5, 2.3/4451=5...(12) HB3 PRO 56 - H PHE 48 OK 16 68 - 23 - 3.0/4451=5, 3.0/4451=5...(11) HB3 MET 31 - H PHE 48 OK 15 95 - 16 - 4.0/4452=4, 4845/5637=1 HD2 ARG 69 - H PHE 48 OK 13 65 - 19 - 5823/4.4=7, 4789/6.4=5...(5) HD3 ARG 69 - H PHE 48 OK 13 65 - 19 - 5823/4.4=7, 4789/6.4=5...(5) HB VAL 76 - H PHE 48 lone 8 95 - 8 - 2.1/4460=1, 2.1/4460=1 HB2 GLU 25 - H PHE 48 lone 7 100 - 7 - HB3 GLU 25 - H PHE 48 lone 7 100 - 7 - HB3 GLU 19 - H PHE 48 lone 3 85 - 3 - HB3 GLN 91 - H PHE 48 lone 2 89 - 3 - HB2 GLU 87 - H PHE 48 lone 2 68 - 4 - Peak 4458 from nnoeabs.peaks (1.73, 8.77, 123.38 ppm; 4.62 A): 1 out of 10 assignments used, quality = 0.94: HB2 LEU 43 + H PHE 48 OK 94 100 - 94 - 4368=30, 1.8/4369=23...(24) HB2 LEU 29 - H PHE 48 OK 30 97 - 31 - 3.1/4461=5, 4463/3.0=5...(12) HB2 LEU 62 - H PHE 48 OK 21 85 - 25 - 3.1/4460=4, 4678/3.0=3...(9) HB2 ARG 84 - H PHE 48 OK 14 100 - 14 - 4463/3.0=2, 3.5/641=2...(6) HB3 LYS 85 - H PHE 48 OK 12 100 - 12 - 2.9/4459=2, 4463/3.0=2 HG2 ARG 70 - H PHE 48 lone 7 85 - 8 - 4463/3.0=1 HB3 LYS 83 - H PHE 48 lone 5 97 - 5 - HG3 ARG 71 - H PHE 48 lone 4 73 - 5 - 3.0/641=2, ~2139=1 HB3 ARG 17 - H PHE 48 lone 2 90 - 3 - HG3 ARG 26 - H PHE 48 lone 2 81 - 2 - Peak 4459 from nnoeabs.peaks (1.44, 8.77, 123.38 ppm; 4.29 A): 2 out of 9 assignments used, quality = 0.93: HB3 LEU 43 + H PHE 48 OK 90 99 - 91 - 1.8/4368=22, 4369=21...(23) HG13 ILE 89 + H PHE 48 OK 27 100 - 27 - 3.2/4461=4, 4465/3.0=4...(11) QB ALA 30 - H PHE 48 OK 16 100 - 16 - 3.6/4452=4, 4465/3.0=2...(5) HG2 LYS 13 - H PHE 48 OK 13 81 - 16 - 4465/3.0=2, 4442/4.3=2...(8) HG3 LYS 13 - H PHE 48 OK 12 96 - 12 - ~4465=2, 4465/3.0=2...(4) HG3 LYS 85 - H PHE 48 lone 10 98 - 10 - 2.9/4458=2, 4465/3.0=1 HG12 ILE 33 - H PHE 48 lone 10 100 - 9 - 4465/3.0=1, 4442/4.3=1...(4) HB3 LEU 52 - H PHE 48 lone 6 60 - 10 - ~5694=3, ~4466=3, 5691/5678=1 HB3 LEU 57 - H PHE 48 lone 2 73 - 3 - 2448/3837=1 Peak 4460 from nnoeabs.peaks (0.94, 8.77, 123.38 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.95: QD2 LEU 43 + H PHE 48 OK 91 100 - 91 - 5638=22, 4907/4.3=19...(23) QG2 ILE 40 + H PHE 48 OK 46 95 - 49 - 5128/4.4=16, 4323/6.4=14...(13) QD1 LEU 64 - H PHE 48 OK 29 96 - 30 - 2.1/4461=6, 4467/3.0=4...(12) QG2 VAL 41 - H PHE 48 OK 28 99 - 29 - 4.1/4452=6, 4330/4.6=5...(10) QD2 LEU 62 - H PHE 48 OK 26 95 - 28 - 4467/3.0=4, 3.1/4458=3...(12) HG12 ILE 68 - H PHE 48 poor 10 78 - 13 - 4450/3.6=2, 4446/4.3=2...(6) QG2 VAL 76 - H PHE 48 lone 6 78 - 8 - QG1 VAL 76 - H PHE 48 lone 6 78 - 8 - Peak 4461 from nnoeabs.peaks (0.85, 8.77, 123.38 ppm; 4.41 A): 6 out of 6 assignments used, quality = 0.94: QD1 LEU 43 + H PHE 48 OK 78 87 - 90 - 2.1/5638=20, 3.1/4368=19...(22) QD2 LEU 64 + H PHE 48 OK 30 100 - 30 - 2.1/4460=4, 4468/3.0=4...(14) QG2 ILE 89 + H PHE 48 OK 30 99 - 30 - 3.2/4459=5, 4468/3.0=4...(15) QD2 LEU 29 + H PHE 48 OK 29 100 - 29 - 3.1/4458=4, 4468/3.0=4...(9) QD2 LEU 86 + H PHE 48 OK 15 92 - 16 - 4468/3.0=3, 4478/4.0=2...(5) QD1 LEU 62 + H PHE 48 OK 13 65 - 21 - 2.1/4460=4, 3.1/4458=3...(8) Peak 4480 from nnoeabs.peaks (2.05, 8.65, 117.58 ppm; 4.40 A): 4 out of 16 assignments used, quality = 0.94: HB VAL 45 + H ASN 49 OK 61 87 - 71 - 2.1/4482=24, 2.1/4481=24...(9) HB2 GLU 50 + H ASN 49 OK 46 99 - 46 - 3.9/181=26, 4.7/4947=20...(5) HB3 GLU 50 + H ASN 49 OK 46 99 - 46 - 3.9/181=26, 4.7/4947=20...(5) HG2 PRO 44 + H ASN 49 OK 43 100 - 43 - 2.3/176=9, 2084/3.6=9...(13) HG2 PRO 56 - H ASN 49 OK 19 97 - 19 - 2.3/4487=6, 2.3/4487=6...(5) HD2 ARG 69 - H ASN 49 OK 15 89 - 17 - 5823/4.5=8, 4789/5667=4...(4) HD3 ARG 69 - H ASN 49 OK 15 89 - 17 - 5823/4.5=8, 4789/5667=4...(4) HB3 PRO 56 - H ASN 49 OK 14 90 - 16 - 3.0/4487=5, 3.0/4487=5 HB3 MET 31 - H ASN 49 poor 8 76 - 10 - 4.0/922=4, 1536/4.5=2, ~6118=1 HB3 GLN 91 - H ASN 49 lone 5 99 - 5 - 3.0/646=1 HB2 GLU 87 - H ASN 49 lone 4 90 - 5 - 653/4.5=2 HB2 GLU 25 - H ASN 49 lone 4 99 - 4 - HB3 GLU 25 - H ASN 49 lone 4 99 - 4 - HB VAL 76 - H ASN 49 lone 4 100 - 4 - HB3 GLU 19 - H ASN 49 lone 3 98 - 3 - HB VAL 90 - H ASN 49 lone 1 60 - 2 - Peak 4481 from nnoeabs.peaks (1.06, 8.65, 117.58 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.94: QG2 VAL 45 + H ASN 49 OK 93 97 - 96 - 2.1/4482=34, 4420/5.3=29...(17) HG3 PRO 34 + H ASN 49 OK 11 81 - 13 - 4651/4.5=5, 4473/4.3=4 Peak 4482 from nnoeabs.peaks (0.99, 8.65, 117.58 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.94: QG1 VAL 45 + H ASN 49 OK 91 100 - 92 - 2.1/4481=30, 4423/5.3=26...(18) QD1 LEU 57 + H ASN 49 OK 26 100 - 26 - 5154/5668=9, 2107/4481=3...(8) Peak 4487 from nnoeabs.peaks (3.71, 8.65, 117.58 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.80: HA VAL 45 + H ASN 49 OK 72 89 - 81 - 4407/4.3=24, 3.2/4481=20...(13) HD3 PRO 56 + H ASN 49 OK 16 92 - 17 - 4455/4.3=3, 4451/4.6=2...(8) HD2 PRO 56 + H ASN 49 OK 16 92 - 17 - 4455/4.3=3, 4451/4.6=2...(8) Peak 4489 from nnoeabs.peaks (4.50, 8.65, 117.58 ppm; 3.93 A): 3 out of 3 assignments used, quality = 0.80: HA ASP 46 + H ASN 49 OK 64 100 - 65 - 3.6/4491=15, 3.0/175=15...(13) HA ASP 67 + H ASN 49 OK 30 85 - 35 - 4488/4.0=7, 5360/4.0=7...(12) HA ASP 24 + H ASN 49 OK 21 98 - 21 - 5360/4.0=4, 4488/4.0=4...(7) Peak 4490 from nnoeabs.peaks (7.54, 8.65, 117.58 ppm; 4.86 A): 4 out of 4 assignments used, quality = 0.90: H LEU 51 + H ASN 49 OK 78 97 - 80 - 4947=45, 4.6/181=27...(10) H ARG 54 + H ASN 49 OK 30 97 - 31 - 4495/3.0=9, 923/4.5=7...(7) H LEU 43 + H ASN 49 OK 29 81 - 36 - 4453/3.6=11, 5660/4.6=7...(6) HD21 ASN 80 + H ASN 49 OK 10 100 - 10 - 4495/3.0=3, 923/4.5=2...(4) Peak 4491 from nnoeabs.peaks (7.26, 8.65, 117.58 ppm; 4.61 A): 3 out of 3 assignments used, quality = 0.93: H ASP 47 + H ASN 49 OK 90 99 - 91 - 4438=25, 171/4.6=23...(18) HE ARG 54 + H ASN 49 OK 21 100 - 21 - 171/4.6=4, 7.4/4490=2...(10) H ILE 40 + H ASN 49 OK 12 85 - 15 - 4508/4.5=3, 171/4.6=3...(4) Peak 4496 from nnoeabs.peaks (4.48, 6.86, 112.13 ppm; 4.58 A): 4 out of 8 assignments used, quality = 0.88: HA ASP 46 + HD21 ASN 49 OK 64 99 - 65 - 5359/1.7=19, 5360/3.5=15...(11) HA ASP 67 + HD21 ASN 49 OK 47 99 - 48 - 5359/1.7=12, 4488/3.5=11...(11) HA ASP 24 + HD21 ASN 49 OK 26 100 - 25 - 5359/1.7=7, 5360/3.5=6...(6) HA ASP 46 + HE22 GLN 79 OK 12 97 - 12 - 4489/649=2, 5360/2177=2...(6) HA ASP 67 - HE22 GLN 79 lone 8 97 - 8 - 4488/2171=1, 5360/2177=1 HA ASP 24 - HE22 GLN 79 lone 5 99 - 5 - HA TYR 81 - HD21 ASN 49 lone 1 71 - 2 - HA TYR 81 - HE22 GLN 79 lone 1 69 - 2 - Peak 4497 from nnoeabs.peaks (1.06, 6.86, 112.13 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.91: QG2 VAL 45 + HD21 ASN 49 OK 89 97 - 91 - 4420/1.7=41, 4422=36...(12) QG2 VAL 45 + HE22 GLN 79 OK 22 96 - 23 - 4422=9, 2.1/4425=7...(6) HG3 PRO 34 - HD21 ASN 49 lone 2 81 - 3 - 4481/5.3=1 HG3 PRO 34 - HE22 GLN 79 lone 2 79 - 2 - Peak 4498 from nnoeabs.peaks (0.98, 6.86, 112.13 ppm; 4.05 A): 3 out of 6 assignments used, quality = 0.93: QG1 VAL 45 + HD21 ASN 49 OK 90 100 - 90 - 4423/1.7=40, 4425=37...(12) QG1 VAL 45 + HE22 GLN 79 OK 23 99 - 23 - 4425=9, 2.1/4422=7...(6) QD1 LEU 57 + HD21 ASN 49 OK 10 93 - 11 - 4500/1.7=4, 4482/5.3=3 QD1 LEU 57 - HE22 GLN 79 lone 4 92 - 4 - QD1 LEU 64 - HE22 GLN 79 lone 2 64 - 2 - QD1 LEU 64 - HD21 ASN 49 lone 1 65 - 2 - Peak 4499 from nnoeabs.peaks (1.08, 7.83, 112.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.89: QG2 VAL 45 + HD22 ASN 49 OK 89 99 - 89 - 4420=49, 2.1/4423=35...(12) Peak 4500 from nnoeabs.peaks (0.99, 7.83, 112.13 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.91: QG1 VAL 45 + HD22 ASN 49 OK 90 100 - 90 - 4423=49, 2.1/4499=36...(12) QD1 LEU 57 + HD22 ASN 49 OK 10 99 - 10 - 2107/4420=3, 4482/5.3=3 Peak 4501 from nnoeabs.peaks (1.36, 7.73, 120.91 ppm; 4.84 A): 5 out of 14 assignments used, quality = 0.74: QB ALA 53 + H GLU 50 OK 36 63 - 58 - 4962/3.0=12, 2.9/4508=11...(11) HG3 ARG 69 + H GLU 50 OK 29 96 - 31 - 4777/3.0=3, 2822/3.9=3...(13) HB2 LEU 52 + H GLU 50 OK 21 60 - 35 - 3.9/5672=18, 4484/3.6=9 QB ALA 28 + H GLU 50 OK 15 68 - 22 - 3.6/5525=5, 2.1/652=4...(8) HB3 ARG 69 + H GLU 50 OK 14 57 - 25 - 4502/3.0=3, ~5047=3...(12) QB ALA 20 - H GLU 50 lone 7 95 - 7 - HG3 LYS 73 - H GLU 50 lone 6 76 - 8 - 2.9/5670=1, 2.9/5670=1 QB ALA 77 - H GLU 50 lone 5 97 - 5 - HG3 LYS 75 - H GLU 50 lone 5 71 - 6 - HG2 LYS 75 - H GLU 50 lone 5 71 - 6 - QB ALA 16 - H GLU 50 lone 3 100 - 3 - QB ALA 78 - H GLU 50 lone 3 76 - 4 - HG2 LYS 85 - H GLU 50 lone 3 95 - 3 - HG2 LYS 83 - H GLU 50 lone 2 100 - 2 - Peak 4506 from nnoeabs.peaks (4.39, 7.73, 120.91 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.78: HA ASP 47 + H GLU 50 OK 69 100 - 70 - 4454=18, 3.0/6130=13...(13) HA MET 31 + H GLU 50 OK 16 60 - 27 - 1524=3, 3.0/1530=3...(13) HA MET 11 + H GLU 50 OK 14 92 - 15 - 4511/4.9=4, 4526/4.6=3...(6) Peak 4507 from nnoeabs.peaks (4.49, 7.73, 120.91 ppm; 4.55 A): 3 out of 4 assignments used, quality = 0.76: HA ASP 46 + H GLU 50 OK 58 100 - 58 - 3.6/6130=16, 4489/4.5=14...(8) HA ASP 67 + H GLU 50 OK 30 97 - 31 - 4488/4.2=9, 5360/4.2=9...(5) HA ASP 24 + H GLU 50 OK 19 100 - 19 - 5360/4.2=5, 4488/4.2=5...(5) HA TYR 81 - H GLU 50 lone 1 63 - 2 - Peak 4508 from nnoeabs.peaks (7.24, 7.73, 120.91 ppm; 5.10 A): 4 out of 4 assignments used, quality = 0.91: H ALA 53 + H GLU 50 OK 59 78 - 75 - 4.5/5672=18, 4509/3.0=17...(14) H ASP 47 + H GLU 50 OK 57 68 - 83 - 3.0/4506=30, 6130=20...(13) H ILE 40 + H GLU 50 OK 39 100 - 39 - 4943/4.6=9, 3.6/5790=9...(11) HE ARG 54 + H GLU 50 OK 17 76 - 22 - 4943/4.6=6, 7.4/923=4...(7) Peak 4525 from nnoeabs.peaks (4.03, 7.53, 121.73 ppm; 4.01 A): 3 out of 6 assignments used, quality = 0.95: HA PHE 48 + H LEU 51 OK 77 100 - 77 - 3.6/4947=22, 4470/4.5=18...(13) HA ARG 54 + H LEU 51 OK 69 87 - 80 - 2299=15, 3.0/2315=12...(23) HD2 PRO 44 + H LEU 51 OK 35 96 - 37 - 5646=6, 4.8/2009=4...(16) HB2 SER 22 - H LEU 51 OK 31 92 - 34 - 1.8/658=7, 1255/3.0=5...(12) HA GLU 59 - H LEU 51 lone 8 85 - 10 - 4523/3.9=1 HA ARG 70 - H LEU 51 lone 6 73 - 8 - Peak 4526 from nnoeabs.peaks (4.38, 7.53, 121.73 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.62: HA ASP 47 + H LEU 51 OK 56 100 - 57 - 4506/4.6=20, 3.6/5678=20...(10) HA MET 11 + H LEU 51 OK 12 99 - 12 - 4506/4.6=4, 4510/4.7=2...(4) Peak 4542 from nnoeabs.peaks (4.14, 7.43, 115.28 ppm; 3.91 A): 4 out of 11 assignments used, quality = 0.91: HA ASN 49 + H LEU 52 OK 74 99 - 74 - 4494=30, 4486/4.8=19...(10) HA ALA 53 + H LEU 52 OK 49 85 - 58 - 3.0/925=27, 3.6/193=10...(10) HA LEU 29 + H LEU 52 OK 19 90 - 21 - 4.0/197=2, 4183/3.9=2...(9) HA ALA 30 + H LEU 52 OK 19 98 - 19 - 3.6/5687=4, 4544/3.9=3...(7) HB THR 15 - H LEU 52 lone 6 76 - 7 - 2.1/668=2, 1135/5.0=1 HA LYS 73 - H LEU 52 lone 4 59 - 8 - 3.8/667=1, 672/4.5=1 HA ARG 27 - H LEU 52 lone 4 60 - 7 - 5.0/666=2 HA ARG 23 - H LEU 52 lone 3 87 - 3 - HA GLN 91 - H LEU 52 lone 3 97 - 3 - HB THR 88 - H LEU 52 lone 1 71 - 2 - HA ILE 89 - H LEU 52 lone 1 71 - 2 - Peak 4549 from nnoeabs.peaks (3.97, 7.22, 117.09 ppm; 3.68 A): 4 out of 10 assignments used, quality = 0.72: HA GLU 50 + H ALA 53 OK 51 97 - 53 - 4509=16, 4962/2.9=13...(11) HA GLN 61 + H ALA 53 OK 23 97 - 24 - 4509=7, 4962/2.9=4...(7) HA LYS 32 + H ALA 53 OK 16 100 - 16 - 3.9/202=2, 4962/2.9=2...(6) HA ALA 28 + H ALA 53 OK 12 89 - 14 - 2.1/202=3, 1472/4.6=3...(4) HA VAL 76 - H ALA 53 lone 8 99 - 8 - 4962/2.9=2, 3.0/5698=1 HA ARG 66 - H ALA 53 lone 5 100 - 5 - 5695/206=1 HA ARG 70 - H ALA 53 lone 3 65 - 5 - HA2 GLY 72 - H ALA 53 lone 3 96 - 3 - HA2 GLY 21 - H ALA 53 lone 2 76 - 3 - HA3 GLY 21 - H ALA 53 lone 2 73 - 3 - Peak 4559 from nnoeabs.peaks (7.71, 7.22, 117.09 ppm; 4.38 A): 5 out of 5 assignments used, quality = 0.93: H TYR 55 + H ALA 53 OK 66 85 - 77 - 4973=33, 4.6/207=22...(11) H GLU 50 + H ALA 53 OK 57 87 - 66 - 3.0/4509=17, 5672/4.5=12...(14) H ASN 42 + H ALA 53 OK 26 98 - 26 - 917/4.6=4, 4.4/5627=4...(9) H GLN 61 + H ALA 53 OK 23 65 - 35 - 3.0/4509=8, 4560/3.0=6...(10) H MET 31 + H ALA 53 OK 22 100 - 22 - 5086/4.6=3, 5687/4.5=3...(8) Peak 4567 from nnoeabs.peaks (3.90, 7.53, 116.98 ppm; 4.12 A): 4 out of 6 assignments used, quality = 0.90: HA LEU 51 + H ARG 54 OK 78 97 - 81 - 2209=16, 5220/4.1=12...(22) HB3 SER 22 + H ARG 54 OK 31 97 - 32 - 1.8/675=7, 1258/3.0=5...(10) HA ILE 33 + H ARG 54 OK 21 92 - 23 - 4569/4.1=4, 4570/4.9=3...(8) HA LEU 62 + H ARG 54 OK 19 83 - 23 - 3.0/676=3, 4570/4.9=2...(11) HA2 GLY 18 - H ARG 54 lone 1 73 - 1 - HA3 GLY 18 - H ARG 54 lone 1 71 - 1 - Peak 4580 from nnoeabs.peaks (3.70, 7.69, 117.85 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.99: HD2 PRO 56 + H TYR 55 OK 90 100 - 90 - 4.8=59, 4.6/687=23...(10) HD3 PRO 56 + H TYR 55 OK 90 100 - 90 - 4.8=59, 4.6/687=23...(10) HA VAL 45 - H TYR 55 OK 16 100 - 16 - 3.2/5730=7, 4578/3.8=2...(6) HD3 PRO 44 - H TYR 55 lone 5 68 - 7 - 4.8/210=2, 5647/4.6=1 Peak 4581 from nnoeabs.peaks (3.80, 7.69, 117.85 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.73: HA LEU 52 + H TYR 55 OK 68 100 - 68 - 3.6/4973=20, 6131/4.4=19...(11) HD2 PRO 14 + H TYR 55 OK 17 85 - 19 - 4631/4.4=5, 5229/3.8=5...(6) Peak 4582 from nnoeabs.peaks (4.16, 7.69, 117.85 ppm; 4.32 A): 3 out of 11 assignments used, quality = 0.70: HA ALA 53 + H TYR 55 OK 59 99 - 60 - 3.0/4973=24, 3.6/927=22...(5) HA LEU 29 + H TYR 55 OK 19 100 - 19 - 5526=4, 3.6/909=2...(8) HA LYS 73 + H TYR 55 OK 12 84 - 14 - 3.8/5732=2, 5526=2...(4) HA ASN 49 - H TYR 55 poor 10 89 - 11 - 4495/4.6=5, 4495/210=2 HA ALA 30 - H TYR 55 poor 9 83 - 11 - 3.0/909=3, 2.1/3770=3, 3769=2 HA ARG 82 - H TYR 55 lone 6 81 - 8 - 5885/4.6=2, 208/4.6=1 HA ARG 84 - H TYR 55 lone 3 60 - 4 - HA ILE 89 - H TYR 55 lone 2 93 - 2 - HB THR 15 - H TYR 55 lone 2 96 - 2 - HA ARG 23 - H TYR 55 lone 1 60 - 2 - HA GLN 91 - H TYR 55 lone 1 78 - 1 - Peak 4597 from nnoeabs.peaks (0.91, 8.15, 124.80 ppm; 4.60 A): 0 out of 11 assignments used, low quality = 0.29: QD2 LEU 62 - H LEU 57 OK 29 76 - 38 - 4599/3.8=10, 2.1/5747=9...(7) HG LEU 51 - H LEU 57 poor 10 92 - 11 - 4598/3.8=5, 4599/3.8=3 QG2 VAL 76 - H LEU 57 lone 8 93 - 9 - 4599/3.8=2, 4598/3.8=2...(4) QG1 VAL 76 - H LEU 57 lone 8 93 - 9 - 4599/3.8=2, 4598/3.8=2...(4) QD1 LEU 86 - H LEU 57 lone 7 85 - 8 - 3.1/5747=2, 4598/3.8=2 QG2 VAL 41 - H LEU 57 lone 5 63 - 8 - 4599/3.8=3, 2.1/692=1 QG2 ILE 40 - H LEU 57 lone 5 76 - 6 - 4599/3.8=2, 4598/3.8=2 HG12 ILE 68 - H LEU 57 lone 5 93 - 5 - 4599/3.8=1, 4598/3.8=1 QG1 VAL 90 - H LEU 57 lone 4 99 - 4 - QD1 LEU 29 - H LEU 57 lone 4 65 - 6 - 3.1/5747=2, 4598/3.8=1 QG2 VAL 90 - H LEU 57 lone 4 99 - 4 - Peak 4620 from nnoeabs.peaks (7.68, 9.06, 113.20 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.97: H GLN 61 + H THR 58 OK 95 100 - 95 - 4648=47, 4.0/4653=27...(17) H TYR 55 + H THR 58 OK 48 97 - 50 - 5730/4.8=14, 5733/4.9=8...(14) H MET 31 - H THR 58 OK 37 65 - 57 - 3.0/696=11, 4.7/4625=11...(19) Peak 4621 from nnoeabs.peaks (8.84, 9.06, 113.20 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.91: H LEU 62 + H THR 58 OK 87 95 - 92 - 5368=47, 4.6/4653=26...(15) H THR 37 + H THR 58 OK 33 78 - 42 - 4618/4.2=9, 4619/4.2=8...(10) Peak 4624 from nnoeabs.peaks (1.66, 9.06, 113.20 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.92: HB3 GLN 61 + H THR 58 OK 90 100 - 90 - 1.8/4653=34, 4654=31...(14) HD3 LYS 13 + H THR 58 OK 11 99 - 11 - 2.9/228=2, 4985/4.8=2 HD2 LYS 13 + H THR 58 OK 11 99 - 11 - 2.9/228=2, 4985/4.8=2 HG LEU 29 - H THR 58 lone 7 92 - 8 - 249/5368=3, 712/4648=1 HD2 LYS 75 - H THR 58 lone 7 100 - 7 - 4985/4.8=1 HD3 LYS 75 - H THR 58 lone 7 100 - 7 - 4985/4.8=1 HB3 LYS 13 - H THR 58 lone 6 78 - 8 - 3.0/228=2, 1.8/227=1 HG2 ARG 23 - H THR 58 lone 3 97 - 3 - HG3 ARG 27 - H THR 58 lone 1 65 - 2 - HG2 ARG 27 - H THR 58 lone 1 63 - 2 - Peak 4625 from nnoeabs.peaks (2.53, 9.06, 113.20 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.95: HB2 GLN 61 + H THR 58 OK 86 99 - 86 - 4653=29, 1.8/4654=22...(17) HG3 MET 31 + H THR 58 OK 63 98 - 65 - 1.8/5090=12, 1549/3.0=10...(22) HB3 ASP 46 - H THR 58 lone 7 93 - 8 - 4445/4.8=3, 4445/231=1 HB2 ASP 24 - H THR 58 lone 3 81 - 4 - Peak 4640 from nnoeabs.peaks (0.87, 9.11, 120.45 ppm; 5.49 A): 4 out of 7 assignments used, quality = 0.86: QD1 LEU 62 + H GLU 59 OK 67 99 - 68 - 4639/2.9=22, ~5364=19...(9) QD1 LEU 29 + H GLU 59 OK 33 93 - 35 - 4639/2.9=11, 4642/4.9=4...(9) QD2 LEU 29 + H GLU 59 OK 28 78 - 36 - ~4639=8, 4639/2.9=6...(10) HG LEU 51 + H GLU 59 OK 11 68 - 16 - 3.0/235=4, 4639/2.9=3...(8) QD1 LEU 86 - H GLU 59 poor 9 78 - 11 - 4639/2.9=4, 4642/4.9=2, ~4638=1 QD2 LEU 64 - H GLU 59 lone 5 78 - 6 - 4639/2.9=1 QG2 ILE 89 - H GLU 59 lone 2 71 - 3 - Peak 4643 from nnoeabs.peaks (1.32, 8.51, 114.41 ppm; 5.50 A): 4 out of 7 assignments used, quality = 0.88: QG2 THR 58 + H SER 60 OK 82 99 - 82 - 3892/4.7=36, 2.1/5091=36...(8) HG2 ARG 54 + H SER 60 OK 16 96 - 17 - 5705/4.6=7, 4.8/931=3, 235/4.7=3 HB2 LEU 51 + H SER 60 OK 11 100 - 11 - 4658/4.6=5, 235/4.7=3 HB2 LEU 52 + H SER 60 OK 11 89 - 12 - ~4995=4, 4658/4.6=4, 235/4.7=1 HG3 LYS 32 - H SER 60 lone 8 97 - 9 - 4658/4.6=4, 235/4.7=2 QB ALA 28 - H SER 60 lone 6 83 - 8 - 4658/4.6=3 QB ALA 12 - H SER 60 lone 5 93 - 5 - Peak 4644 from nnoeabs.peaks (7.68, 9.11, 120.45 ppm; 5.38 A): 3 out of 3 assignments used, quality = 0.84: H GLN 61 + H GLU 59 OK 70 100 - 71 - 4648/4.6=33, 242/4.7=29...(4) H MET 31 + H GLU 59 OK 30 81 - 37 - 555/3.6=10, 3.0/233=8...(9) H TYR 55 + H GLU 59 OK 23 100 - 23 - 4620/4.6=8, 4623/4.0=8...(4) Peak 4648 from nnoeabs.peaks (9.07, 7.68, 122.99 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.81: H THR 58 + H GLN 61 OK 81 95 - 86 - 4620=20, 4653/4.0=20...(16) Peak 4649 from nnoeabs.peaks (5.47, 7.68, 122.99 ppm; 4.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4655 from nnoeabs.peaks (3.54, 6.83, 111.22 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.83: HD3 PRO 34 + HE22 GLN 61 OK 74 100 - 74 - 5764/1.7=17, 1.8/4858=14...(14) HD3 PRO 36 + HE22 GLN 61 OK 35 76 - 46 - 5764/1.7=11, 1.8/5763=8...(16) Peak 4656 from nnoeabs.peaks (2.00, 7.68, 122.99 ppm; 5.10 A): 3 out of 9 assignments used, quality = 0.94: QE MET 31 + H GLN 61 OK 90 99 - 90 - 5083=21, 3.3/711=17...(26) HB2 LEU 64 + H GLN 61 OK 35 71 - 50 - 4.0/5760=9, 3.0/243=8...(19) HG LEU 43 + H GLN 61 OK 17 99 - 17 - 5232/3.0=2, 5191/711=2...(6) HG2 ARG 66 - H GLN 61 poor 10 93 - 10 - 4.1/710=2, ~2707=1...(4) HB3 GLN 79 - H GLN 61 lone 9 100 - 8 - ~6011=2, 5232/3.0=1 HG3 PRO 14 - H GLN 61 lone 6 96 - 6 - HG2 PRO 14 - H GLN 61 lone 6 96 - 6 - HB3 MET 11 - H GLN 61 lone 4 97 - 4 - HB VAL 90 - H GLN 61 lone 2 78 - 2 - Peak 4657 from nnoeabs.peaks (1.49, 7.68, 122.99 ppm; 4.69 A): 4 out of 4 assignments used, quality = 0.92: QB ALA 63 + H GLN 61 OK 65 100 - 65 - 4995/3.6=25, 2.9/5780=17...(8) HB3 LEU 57 + H GLN 61 OK 58 83 - 71 - 4.2/4648=29, 3.1/4659=17...(13) HB3 LEU 52 + H GLN 61 OK 36 92 - 39 - 3.0/5143=8, 3.9/5760=8...(13) HG2 LYS 73 + H GLN 61 OK 15 97 - 15 - 4995/3.6=3, 4.9/5759=2...(4) Peak 4658 from nnoeabs.peaks (1.32, 7.68, 122.99 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.95: QG2 THR 58 + H GLN 61 OK 85 100 - 85 - 4.0/4648=29, 4623=29...(15) HG2 ARG 54 + H GLN 61 OK 47 97 - 49 - 5705=8, 3.0/3872=8...(14) HB2 LEU 51 + H GLN 61 OK 37 100 - 37 - 3.1/4946=7, 4.6/5760=7...(12) HG3 LYS 32 - H GLN 61 OK 32 97 - 33 - 1595/3.0=4, 3.9/710=3...(13) HB2 LEU 52 - H GLN 61 OK 32 87 - 37 - 3.0/5143=8, 1.8/4657=8...(11) QB ALA 28 - H GLN 61 OK 23 81 - 29 - 2.1/4182=5, 5533/4.0=4...(10) QB ALA 12 - H GLN 61 lone 4 92 - 4 - Peak 4659 from nnoeabs.peaks (0.71, 7.68, 122.99 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 57 + H GLN 61 OK 86 100 - 86 - 4.8/4648=24, 4663/4.0=17...(22) QD1 ILE 33 + H GLN 61 OK 81 100 - 81 - 4225/4.0=16, 4503/3.0=15...(27) Peak 4667 from nnoeabs.peaks (1.76, 7.46, 111.22 ppm; 4.25 A): 4 out of 17 assignments used, quality = 0.99: HB ILE 33 + HE21 GLN 61 OK 78 99 - 78 - 3.2/4669=16, 3.0/5545=14...(17) HB2 LEU 57 + HE21 GLN 61 OK 68 100 - 68 - 3.1/4669=16, ~4672=11...(16) HG2 PRO 34 + HE21 GLN 61 OK 59 100 - 59 - ~4655=15, 2.3/5764=13...(14) HB2 PRO 34 + HE21 GLN 61 OK 52 89 - 59 - ~4655=13, 3.0/5764=12...(12) HB3 LYS 32 - HE21 GLN 61 OK 40 97 - 42 - 6065=9, 1.8/6065=9...(14) HB2 LYS 32 - HE21 GLN 61 OK 40 97 - 42 - 6065=9, 1.8/6065=9...(14) HB2 ARG 54 - HE21 GLN 61 OK 27 100 - 27 - 3.0/4668=3, 4670/1.7=3...(9) HB2 LEU 62 - HE21 GLN 61 lone 8 90 - 8 - 5777/6.6=4 HB2 LYS 13 - HE21 GLN 61 poor 7 65 - 11 - 3.5/5766=3, 3.5/5766=3 HB3 LYS 75 - HE21 GLN 61 lone 5 71 - 7 - 3.5/5766=2, 3.5/5766=2 HB3 LYS 39 - HE21 GLN 61 lone 3 83 - 4 - HB3 LYS 73 - HE21 GLN 61 lone 3 92 - 3 - HB3 ARG 82 - HE21 GLN 61 lone 3 100 - 3 - HG3 ARG 71 - HE21 GLN 61 lone 2 97 - 2 - HG3 ARG 26 - HE21 GLN 61 lone 2 93 - 2 - HB3 ARG 17 - HE21 GLN 61 lone 1 85 - 2 - HB2 LYS 83 - HE21 GLN 61 lone 1 85 - 1 - Peak 4668 from nnoeabs.peaks (1.31, 7.46, 111.22 ppm; 5.16 A): 4 out of 7 assignments used, quality = 0.97: QG2 THR 58 + HE21 GLN 61 OK 75 99 - 76 - 5755=36, 5230/3.5=20...(11) HB2 LEU 51 + HE21 GLN 61 OK 65 92 - 70 - 3.0/5762=11, ~5223=10...(19) HG2 ARG 54 + HE21 GLN 61 OK 40 100 - 40 - 4969/1.7=7, 4664/3.5=5...(13) HG3 LYS 32 + HE21 GLN 61 OK 38 78 - 49 - 2.9/6065=11, 2.9/6065=11...(14) HG2 LYS 32 - HE21 GLN 61 OK 34 76 - 45 - 2.9/6065=11, 2.9/6065=11...(13) HB2 LEU 52 - HE21 GLN 61 OK 16 60 - 26 - 4671/1.7=3, 5768/4.6=2...(13) QB ALA 12 - HE21 GLN 61 lone 2 68 - 4 - Peak 4669 from nnoeabs.peaks (0.71, 7.46, 111.22 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 33 + HE21 GLN 61 OK 78 100 - 78 - 4210=21, 4672/1.7=19...(18) QD2 LEU 57 + HE21 GLN 61 OK 73 100 - 73 - 4672/1.7=19, 5955/3.5=14...(19) Peak 4670 from nnoeabs.peaks (1.76, 6.83, 111.22 ppm; 4.15 A): 3 out of 15 assignments used, quality = 0.97: HB ILE 33 + HE22 GLN 61 OK 76 97 - 78 - 3.2/4672=15, 4.8/4655=12...(18) HB2 LEU 57 + HE22 GLN 61 OK 66 98 - 68 - 3.1/4672=16, ~4669=10...(17) HG2 PRO 34 + HE22 GLN 61 OK 62 100 - 62 - 2.3/4655=19, ~5764=10...(16) HB2 PRO 34 - HE22 GLN 61 OK 44 78 - 56 - 3.0/4655=17, ~5764=9...(9) HB2 LYS 32 - HE22 GLN 61 OK 35 90 - 39 - 6065/1.7=8, ~6065=7...(14) HB3 LYS 32 - HE22 GLN 61 OK 35 90 - 39 - 6065/1.7=8, ~6065=7...(14) HB2 ARG 54 - HE22 GLN 61 OK 30 99 - 31 - 4.6/5713=5, 3.0/4671=4...(14) HB2 LEU 62 - HE22 GLN 61 lone 9 97 - 9 - 5777/6.6=4 HB3 LYS 39 - HE22 GLN 61 lone 3 71 - 5 - HB3 ARG 82 - HE22 GLN 61 lone 3 99 - 3 - HB3 LYS 73 - HE22 GLN 61 lone 3 83 - 3 - HG3 ARG 71 - HE22 GLN 61 lone 2 99 - 2 - HG3 ARG 26 - HE22 GLN 61 lone 2 98 - 2 - HB3 ARG 17 - HE22 GLN 61 lone 1 93 - 2 - HB2 LYS 83 - HE22 GLN 61 lone 1 73 - 1 - Peak 4671 from nnoeabs.peaks (1.31, 6.83, 111.22 ppm; 4.99 A): 4 out of 8 assignments used, quality = 0.97: QG2 THR 58 + HE22 GLN 61 OK 71 100 - 71 - 5755/1.7=29, 5230/3.5=20...(10) HB2 LEU 51 + HE22 GLN 61 OK 68 98 - 69 - 3.0/5223=12, 3.0/5763=12...(19) HG2 ARG 54 + HE22 GLN 61 OK 45 99 - 46 - 4.8/5713=7, 4668/1.7=6...(16) HG3 LYS 32 + HE22 GLN 61 OK 40 90 - 44 - ~6065=8, 4668/1.7=5...(14) HG2 LYS 32 - HE22 GLN 61 OK 23 60 - 39 - ~6065=8, 4668/1.7=5...(13) HB2 LEU 52 - HE22 GLN 61 OK 22 76 - 29 - 3.9/4077=3, ~2265=2...(15) QB ALA 28 - HE22 GLN 61 OK 20 68 - 30 - 2.1/4072=4, 5533/4.6=4...(11) QB ALA 12 - HE22 GLN 61 lone 3 83 - 3 - Peak 4672 from nnoeabs.peaks (0.72, 6.83, 111.22 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 57 + HE22 GLN 61 OK 76 99 - 77 - 4669/1.7=18, 4615=14...(23) QD1 ILE 33 + HE22 GLN 61 OK 75 97 - 78 - 4669/1.7=19, 4213=16...(20) Peak 4673 from nnoeabs.peaks (0.71, 8.82, 120.20 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 57 + H LEU 62 OK 92 100 - 92 - 4.8/5368=23, ~6069=22...(21) QD1 ILE 33 + H LEU 62 OK 68 100 - 68 - 4503/3.6=14, 4225/4.6=13...(23) Peak 4676 from nnoeabs.peaks (4.06, 8.82, 120.20 ppm; 3.96 A): 5 out of 6 assignments used, quality = 0.90: HA ALA 63 + H LEU 62 OK 61 100 - 61 - 3.0/254=25, 2.1/5787=18...(8) HA GLU 59 + H LEU 62 OK 58 93 - 62 - 4645=27, 4637/4.0=12...(8) HA ARG 26 + H LEU 62 OK 17 97 - 17 - 4677/3.0=3, 4678/4.0=2...(7) HA ARG 71 + H LEU 62 OK 13 89 - 15 - 4677/3.0=3, 3.6/933=2...(5) HD2 PRO 44 + H LEU 62 OK 12 81 - 15 - 4678/4.0=3, 4679/4.8=2...(4) HA VAL 90 - H LEU 62 lone 6 89 - 7 - 4677/3.0=1 Peak 4685 from nnoeabs.peaks (1.97, 7.98, 119.93 ppm; 4.56 A): 6 out of 10 assignments used, quality = 0.93: HB2 LEU 64 + H ALA 63 OK 65 100 - 65 - 4.0/934=23, 3.0/4690=13...(13) QE MET 31 + H ALA 63 OK 29 89 - 33 - 5082/4.7=15, 6.0/5780=3...(9) HB3 ARG 70 + H ALA 63 OK 27 87 - 31 - 4.1/295=3, ~4684=3...(14) HB2 ARG 70 + H ALA 63 OK 27 87 - 31 - 4.1/295=3, ~4684=3...(14) HG LEU 43 + H ALA 63 OK 25 90 - 28 - 729/4.7=5, 2.1/259=4...(13) HG LEU 57 + H ALA 63 OK 25 87 - 29 - 5774/4.6=6, 3.0/726=6...(10) HG2 PRO 14 - H ALA 63 lone 6 96 - 7 - 729/4.7=1 HG3 PRO 14 - H ALA 63 lone 6 96 - 7 - 729/4.7=1 HB2 GLN 79 - H ALA 63 lone 5 99 - 5 - HB3 GLN 79 - H ALA 63 lone 2 78 - 3 - Peak 4687 from nnoeabs.peaks (3.96, 7.42, 119.17 ppm; 4.20 A): 6 out of 10 assignments used, quality = 0.95: HA GLN 61 + H LEU 64 OK 53 100 - 53 - 4941=14, 3.6/5776=14...(10) HA ARG 66 + H LEU 64 OK 48 92 - 53 - 3.0/5018=24, ~5789=12...(10) HA GLU 50 + H LEU 64 OK 35 100 - 35 - 4941=10, 3.6/924=8...(10) HA ALA 28 + H LEU 64 OK 33 100 - 33 - 4173/4.4=8, 5794/4.4=4...(9) HA2 GLY 21 + H LEU 64 OK 30 97 - 31 - 2.9/935=7, ~33=3...(10) HA3 GLY 21 + H LEU 64 OK 29 97 - 31 - 2.9/935=7, ~33=3...(10) HA VAL 76 - H LEU 64 OK 20 99 - 20 - 6044/4.0=3, 3.0/261=2...(8) HA THR 37 - H LEU 64 OK 14 68 - 20 - 3.0/5788=6, 3.6/913=2...(5) HA2 GLY 72 - H LEU 64 OK 12 100 - 11 - 3.0/261=3, 3.6/261=1, 5794/4.4=1 HA LYS 32 - H LEU 64 OK 11 92 - 12 - ~4693=2, 4384/4.4=2...(4) Peak 4690 from nnoeabs.peaks (4.27, 7.98, 119.93 ppm; 3.81 A): 6 out of 12 assignments used, quality = 0.89: HA LEU 64 + H ALA 63 OK 60 98 - 61 - 3.0/934=23, 4.9/726=14...(11) HA SER 60 + H ALA 63 OK 52 98 - 54 - 4647=22, 4995/2.9=21...(8) HA ARG 17 + H ALA 63 OK 20 98 - 20 - 3.0/5779=4, 3.6/5779=3...(8) HA LYS 39 + H ALA 63 OK 12 85 - 14 - 1832/4.7=4, 3.0/934=2 HA ASP 38 + H ALA 63 OK 12 97 - 12 - 3802/4.7=2, 5775/4.6=2...(4) HA ALA 20 + H ALA 63 OK 10 99 - 10 - 3.6/5779=3, 5494/3.6=2...(4) HA LYS 75 - H ALA 63 lone 4 71 - 6 - HA GLU 19 - H ALA 63 lone 3 96 - 3 - HA ALA 12 - H ALA 63 lone 2 97 - 2 - HA THR 88 - H ALA 63 lone 2 97 - 2 - HA THR 15 - H ALA 63 lone 2 76 - 2 - HA LYS 83 - H ALA 63 lone 2 68 - 3 - Peak 4697 from nnoeabs.peaks (1.22, 7.42, 119.17 ppm; 4.50 A): 3 out of 7 assignments used, quality = 0.97: QG2 VAL 65 + H LEU 64 OK 80 99 - 81 - 4.1/5018=22, 4.0/264=22...(14) QG1 VAL 65 + H LEU 64 OK 72 93 - 78 - 4.1/5018=22, 4.0/264=22...(13) HG LEU 52 + H LEU 64 OK 49 76 - 65 - 2.1/2286=14, 2.1/2279=14...(14) HG13 ILE 33 - H LEU 64 OK 33 100 - 33 - 5030/4.4=6, 2.1/4210=6...(7) HG13 ILE 40 - H LEU 64 OK 27 95 - 28 - 737/4.6=4, 4700/4.0=3...(12) HG2 ARG 69 - H LEU 64 OK 10 78 - 13 - 737/4.6=2, 4.7/261=2, 274/5018=1 QG2 THR 15 - H LEU 64 lone 6 65 - 9 - 1137/3.0=1, 3.2/728=1, ~1133=1 Peak 4698 from nnoeabs.peaks (2.37, 7.42, 119.17 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.81: HB VAL 65 + H LEU 64 OK 71 92 - 77 - 4.4/5018=28, 3.8/264=27...(7) HG3 MET 11 + H LEU 64 OK 20 89 - 23 - 736/4.6=7, 5798=6...(6) HG2 GLU 50 + H LEU 64 OK 19 100 - 19 - 3.7/4941=7, 4.9/5672=4...(4) HG2 GLU 59 - H LEU 64 poor 8 71 - 11 - 4.2/262=4, 736/4.6=2, 2501/3.6=1 Peak 4709 from nnoeabs.peaks (7.95, 8.38, 117.58 ppm; 4.44 A): 7 out of 8 assignments used, quality = 0.93: H ALA 63 + H VAL 65 OK 49 73 - 67 - 4.7/264=18, 3.6/4674=17...(9) H ARG 70 + H VAL 65 OK 43 100 - 43 - 296/3.0=8, 5829/4.0=7...(12) H ASP 67 + H VAL 65 OK 41 76 - 54 - 4.6/936=28, 4693/3.6=12...(9) H LEU 29 + H VAL 65 OK 34 100 - 35 - 548/4.4=4, 4693/3.6=4...(14) H VAL 76 + H VAL 65 OK 18 99 - 18 - 339/3.6=3, 5016/4.4=2...(7) H ARG 69 + H VAL 65 OK 16 60 - 27 - 4710/3.0=8, 2.9/735=6...(6) H LYS 32 + H VAL 65 OK 14 95 - 15 - 4714/4.0=3, 4693/3.6=3...(5) H ALA 30 - H VAL 65 poor 10 60 - 16 - 4.6/267=2, 5016/4.4=2...(5) Peak 4720 from nnoeabs.peaks (3.94, 8.38, 117.58 ppm; 3.87 A): 8 out of 11 assignments used, quality = 0.89: HA LEU 62 + H VAL 65 OK 57 92 - 62 - 4674=19, 4998/3.8=14...(12) HA3 GLY 21 + H VAL 65 OK 20 96 - 21 - 1245=3, 4722/4.0=2...(10) HA2 GLY 21 + H VAL 65 OK 20 95 - 21 - 1245=3, 4722/4.0=2...(10) HA GLN 61 + H VAL 65 OK 20 68 - 30 - 4.7/4674=10, 5758=5...(10) HA THR 37 + H VAL 65 OK 18 100 - 18 - 4722/4.0=4, 4723/4.0=4...(5) HA ALA 28 + H VAL 65 OK 18 85 - 21 - 3.6/4709=3, 4172/4.0=3...(9) HA3 GLY 18 + H VAL 65 OK 13 97 - 13 - 4722/4.0=2, 4721/3.8=2...(6) HA2 GLY 18 + H VAL 65 OK 13 97 - 13 - 4722/4.0=2, 4721/3.8=2...(6) HA GLU 50 - H VAL 65 poor 9 71 - 13 - 5758=2, 4941/4.6=2...(4) HA VAL 76 - H VAL 65 poor 6 60 - 10 - 3.0/4709=2, 6044/4.4=1 HA2 GLY 72 - H VAL 65 lone 5 73 - 7 - ~5492=2 Peak 4732 from nnoeabs.peaks (0.92, 8.59, 117.85 ppm; 4.70 A): 4 out of 11 assignments used, quality = 0.90: HG12 ILE 68 + H ARG 66 OK 54 100 - 54 - 4.5/5812=24, 5034/4.1=7...(13) QD2 LEU 62 + H ARG 66 OK 48 93 - 51 - 4.0/4675=23, 5001/4.4=11...(9) QG2 ILE 40 + H ARG 66 OK 46 93 - 49 - 5034/4.1=10, 1937/3.6=10...(12) QG2 VAL 41 + H ARG 66 OK 26 85 - 31 - 5130/3.6=7, 5034/4.1=4...(11) QG1 VAL 76 - H ARG 66 OK 17 100 - 17 - 3.2/740=3, 3.9/937=2...(4) QG2 VAL 76 - H ARG 66 OK 17 100 - 17 - 3.2/740=3, 3.9/937=2...(4) QG1 VAL 90 - H ARG 66 OK 13 90 - 14 - 3.2/5036=4, 2.1/743=2...(4) QG2 VAL 90 - H ARG 66 OK 12 89 - 14 - 3.2/5036=4, 2.1/743=2...(4) QD2 LEU 43 - H ARG 66 OK 12 60 - 20 - 4388/3.6=4, 5034/4.1=3...(7) HG LEU 51 - H ARG 66 lone 6 73 - 8 - 4708/4.4=3, 5684/5018=2 QD1 LEU 86 - H ARG 66 lone 4 63 - 6 - Peak 4737 from nnoeabs.peaks (4.26, 7.93, 121.56 ppm; 4.12 A): 3 out of 14 assignments used, quality = 0.84: HA LEU 64 + H ASP 67 OK 77 100 - 77 - 4693=22, 5287/3.9=22...(12) HA ALA 20 + H ASP 67 OK 20 100 - 20 - 3.0/938=6, 4738/3.9=4...(6) HA GLU 19 + H ASP 67 OK 15 100 - 15 - 3.6/938=5, 4738/3.9=3...(4) HA LYS 39 - H ASP 67 lone 10 99 - 10 - 4739/3.9=1, 4738/3.9=1...(4) HA ASP 38 - H ASP 67 lone 8 78 - 10 - 5810/4.6=2, 4739/3.9=1 HA LYS 75 - H ASP 67 lone 7 95 - 8 - 4.7/277=1, 5037/4.6=1 HA THR 15 - H ASP 67 lone 6 97 - 6 - 4.9/278=1 HA SER 60 - H ASP 67 lone 5 81 - 7 - 4995/5805=3 HA LYS 83 - H ASP 67 lone 5 93 - 5 - HA ARG 17 - H ASP 67 lone 5 81 - 6 - HA ALA 12 - H ASP 67 lone 3 100 - 3 - HA ALA 77 - H ASP 67 lone 2 73 - 3 - HA THR 88 - H ASP 67 lone 2 76 - 2 - HA LYS 85 - H ASP 67 lone 2 63 - 3 - Peak 4741 from nnoeabs.peaks (0.95, 7.93, 121.56 ppm; 4.67 A): 4 out of 5 assignments used, quality = 0.88: QD1 LEU 64 + H ASP 67 OK 72 100 - 72 - 5020/3.9=26, 3.9/4737=14...(13) QD2 LEU 43 + H ASP 67 OK 27 97 - 27 - 2.1/5803=5, 4744/3.9=5...(7) QG2 ILE 40 + H ASP 67 OK 25 71 - 35 - 5616/4.6=10, 3.2/5807=5...(8) QG2 VAL 41 + H ASP 67 OK 25 83 - 30 - 2.1/5803=6, 2.1/279=3...(9) QD2 LEU 62 - H ASP 67 poor 9 71 - 13 - 5005/5805=1, 4746/3.9=1 Peak 4747 from nnoeabs.peaks (3.63, 8.44, 120.04 ppm; 3.95 A): 3 out of 4 assignments used, quality = 0.95: HA VAL 65 + H ILE 68 OK 72 100 - 72 - 5313=31, 3.6/5812=21...(15) HA ARG 69 + H ILE 68 OK 61 100 - 61 - 2.9/288=21, 3.6/5826=13...(14) HA ILE 40 + H ILE 68 OK 55 100 - 56 - 3.2/5616=13, 4751/4.0=8...(14) HD3 PRO 14 - H ILE 68 OK 21 96 - 21 - 4750/3.9=3, 4751/4.0=3...(9) Peak 4792 from nnoeabs.peaks (4.47, 7.95, 118.23 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.54: HA ASP 67 + H ARG 70 OK 54 98 - 55 - 3.6/5826=13, 5052/4.9=9...(14) HA ASP 24 - H ARG 70 poor 10 85 - 11 - 5838/4.6=2, 5052/4.9=2...(4) HA PRO 14 - H ARG 70 lone 8 95 - 9 - 5819/4.6=2, 3.6/296=2 HA TYR 81 - H ARG 70 lone 8 99 - 8 - 5052/4.9=1, 5819/4.6=1 HA ASP 46 - H ARG 70 poor 8 71 - 11 - 5052/4.9=2, 5838/4.6=1...(4) HA SER 22 - H ARG 70 lone 5 83 - 6 - Peak 4803 from nnoeabs.peaks (8.20, 8.20, 121.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 25 + H GLU 25 OK 100 100 - 100 Peak 4811 from nnoeabs.peaks (2.01, 8.24, 125.71 ppm; 5.06 A): 2 out of 34 assignments used, quality = 0.99: HB3 MET 11 + H ALA 12 OK 99 99 - 100 - 4.1=100 HB VAL 90 + H VAL 90 OK 53 53 - 100 - 3.9=100 HG2 ARG 66 - H ALA 12 lone 10 100 - 10 - 965/4.1=3, 960/3.6=3, 2.8/5923=2 HG3 PRO 14 - H ALA 12 poor 9 57 - 17 - 965/4.1=6, 960/3.6=6...(4) HG2 PRO 14 - H ALA 12 poor 9 57 - 17 - 965/4.1=6, 960/3.6=6...(4) HG2 ARG 66 - H VAL 90 poor 9 53 - 18 - 3641/3.0=4, 5373/4.0=3...(7) HB VAL 90 - H ALA 12 lone 8 100 - 8 - 968/3.6=2, 965/4.1=1 HB3 MET 11 - H VAL 90 lone 5 51 - 9 - 3641/3.0=2, 3.0/3699=1 HB2 GLU 87 - H ALA 12 lone 4 89 - 4 - HB3 GLU 19 - H ALA 12 lone 4 73 - 5 - QE MET 31 - H ALA 12 lone 3 71 - 4 - 5.4/6117=1 HB3 GLN 79 - H ALA 12 lone 3 83 - 3 - HB3 GLU 50 - H ALA 12 lone 3 68 - 4 - 4510/3.6=2 HB2 GLU 50 - H ALA 12 lone 3 68 - 4 - 4510/3.6=2 HG LEU 43 - H ALA 12 lone 2 68 - 3 - HD3 ARG 69 - H VAL 90 lone 2 43 - 5 - HD2 ARG 69 - H VAL 90 lone 2 43 - 5 - HG LEU 43 - H VAL 90 lone 2 30 - 7 - 2028/4.4=3, 2.1/414=1 HD2 ARG 69 - H ALA 12 lone 2 90 - 2 - HD3 ARG 69 - H ALA 12 lone 2 90 - 2 - HB3 GLU 19 - H VAL 90 lone 2 33 - 7 - 420/4.6=3 HB2 GLU 87 - H VAL 90 lone 2 42 - 5 - 420/4.6=2 HB3 GLN 91 - H VAL 90 lone 2 30 - 7 - 3641/3.0=4 QE MET 31 - H VAL 90 lone 2 31 - 6 - 5074/4.4=3 HB3 GLN 79 - H VAL 90 lone 2 38 - 5 - HB3 PRO 56 - H ALA 12 lone 2 89 - 2 - HB3 GLN 91 - H ALA 12 lone 2 68 - 2 - HB3 PRO 56 - H VAL 90 lone 1 42 - 3 - HG2 PRO 56 - H ALA 12 lone 1 76 - 2 - HB2 GLU 50 - H VAL 90 lone 1 30 - 3 - HB3 GLU 50 - H VAL 90 lone 1 30 - 3 - HG2 PRO 56 - H VAL 90 lone 1 34 - 3 - HG2 PRO 14 - H VAL 90 lone 1 24 - 2 - HG3 PRO 14 - H VAL 90 lone 1 24 - 2 - Peak 4822 from nnoeabs.peaks (4.28, 8.40, 110.03 ppm; 3.91 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 17 + H GLY 18 OK 100 100 - 100 - 3.6=100 HA LEU 64 - H GLY 18 OK 20 87 - 23 - 484/4.7=3, 3914=3...(10) HA GLU 19 - H GLY 18 OK 17 81 - 21 - ~24=6, ~25=6, 1146=2, 3.0/3567=1 HA ALA 20 - H GLY 18 OK 15 89 - 18 - 3725=4, 5494/3.0=3...(6) HA LEU 86 - H GLY 18 lone 6 73 - 8 - 4024=2, 3.0/5898=1...(4) HA THR 88 - H GLY 18 lone 4 100 - 4 - HA SER 60 - H GLY 18 lone 4 100 - 4 - HA LYS 39 - H GLY 18 lone 3 63 - 5 - HA ASP 38 - H GLY 18 lone 3 100 - 3 - HA ALA 12 - H GLY 18 lone 2 83 - 2 - Peak 4823 from nnoeabs.peaks (3.93, 8.40, 110.03 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HA2 GLY 18 + H GLY 18 OK 100 100 - 100 - 3.0=100 HA3 GLY 18 + H GLY 18 OK 100 100 - 100 - 3.0=100 HA LEU 62 - H GLY 18 OK 17 100 - 17 - 3.6/5779=3, 4674/4.7=3...(5) HA3 GLY 21 - H GLY 18 lone 5 76 - 6 - HA2 GLY 21 - H GLY 18 lone 5 73 - 6 - HA THR 37 - H GLY 18 lone 4 99 - 4 - HA ALA 28 - H GLY 18 lone 1 57 - 2 - Peak 4824 from nnoeabs.peaks (3.93, 8.40, 110.03 ppm; 3.90 A): 2 out of 7 assignments used, quality = 1.00: * HA3 GLY 18 + H GLY 18 OK 100 100 - 100 - 3.0=100 HA2 GLY 18 + H GLY 18 OK 100 100 - 100 - 3.0=100 HA LEU 62 - H GLY 18 OK 17 100 - 17 - 3.6/5779=3, 4674/4.7=3...(5) HA3 GLY 21 - H GLY 18 lone 5 78 - 7 - HA2 GLY 21 - H GLY 18 lone 5 76 - 7 - HA THR 37 - H GLY 18 lone 4 99 - 4 - HA ALA 28 - H GLY 18 lone 1 60 - 2 - Peak 4825 from nnoeabs.peaks (8.40, 8.40, 110.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 18 + H GLY 18 OK 100 100 - 100 Peak 4826 from nnoeabs.peaks (1.84, 8.40, 110.03 ppm; 5.52 A): 1 out of 11 assignments used, quality = 1.00: HB2 ARG 17 + H GLY 18 OK 100 100 - 100 - 4.3=100 HB2 ARG 71 - H GLY 18 OK 24 96 - 26 - 1148/3.6=6, 485/4.7=5...(5) HB3 ARG 71 - H GLY 18 OK 24 95 - 26 - 1148/3.6=6, 485/4.7=4...(5) HB2 ARG 27 - H GLY 18 OK 14 96 - 15 - 1148/3.6=3, 485/4.7=2...(5) HB3 ARG 27 - H GLY 18 OK 14 95 - 14 - 1148/3.6=3, 485/4.7=2...(5) HB2 ARG 23 - H GLY 18 lone 8 99 - 8 - 1148/3.6=1, 485/4.7=1 HB3 ARG 23 - H GLY 18 lone 8 99 - 8 - 1148/3.6=1, 485/4.7=1 HB2 LYS 39 - H GLY 18 lone 8 93 - 8 - HB2 LYS 73 - H GLY 18 lone 6 87 - 7 - HB2 LYS 75 - H GLY 18 lone 4 100 - 4 - HB ILE 89 - H GLY 18 lone 4 89 - 5 - 1148/3.6=1 Peak 4827 from nnoeabs.peaks (1.75, 8.40, 110.03 ppm; 6.50 A): 1 out of 16 assignments used, quality = 0.98: HB3 ARG 17 + H GLY 18 OK 98 98 - 100 - 4.3=100 HG3 ARG 71 - H GLY 18 OK 39 100 - 40 - 1149/3.6=8, 486/4.7=7...(9) HB2 LEU 62 - H GLY 18 OK 36 99 - 36 - 4.6/5779=6, 2572/3.0=5...(11) HG3 ARG 26 - H GLY 18 OK 23 100 - 23 - 1149/3.6=5, 486/4.7=4...(6) HB ILE 33 - H GLY 18 OK 14 90 - 15 - 3.2/4211=2, 4229/3.0=2...(4) HB2 LEU 57 - H GLY 18 OK 13 93 - 13 - 4981/3.0=2, 4981/3.0=2...(4) HG2 PRO 34 - H GLY 18 lone 9 99 - 9 - HB2 ARG 84 - H GLY 18 poor 7 68 - 10 - 1163/3.6=2, 486/4.7=2 HB3 LYS 32 - H GLY 18 lone 6 81 - 8 - HB2 LYS 32 - H GLY 18 lone 6 81 - 8 - HB3 ARG 82 - H GLY 18 lone 6 95 - 6 - HB2 ARG 54 - H GLY 18 lone 6 95 - 6 - HB3 LYS 73 - H GLY 18 lone 6 71 - 8 - 1.8/4826=1 HB2 LEU 43 - H GLY 18 lone 4 63 - 6 - HB2 PRO 34 - H GLY 18 lone 4 65 - 6 - HB2 LYS 83 - H GLY 18 lone 3 60 - 5 - Peak 4828 from nnoeabs.peaks (1.63, 8.40, 110.03 ppm; 6.35 A): 2 out of 13 assignments used, quality = 1.00: HG3 ARG 17 + H GLY 18 OK 96 96 - 100 - 5.0=100 HG2 ARG 17 + H GLY 18 OK 95 95 - 100 - 5.0=100 HG2 ARG 71 - H GLY 18 OK 28 96 - 30 - 1.8/4827=6, 2.8/4826=5...(9) HG2 ARG 27 - H GLY 18 OK 18 100 - 18 - 2.9/4826=3, 2.9/4826=3...(5) HG3 ARG 27 - H GLY 18 OK 18 100 - 18 - 2.9/4826=3, 2.9/4826=3...(5) HG2 ARG 26 - H GLY 18 OK 15 97 - 16 - 1.8/4827=3, 1151/3.6=2...(4) HB2 LEU 86 - H GLY 18 OK 12 89 - 14 - 3521/3.6=2, 3.0/4024=2...(4) HD2 LYS 73 - H GLY 18 lone 7 81 - 9 - 3.5/4826=1 HD3 LYS 73 - H GLY 18 lone 7 81 - 9 - 3.5/4826=1 HD3 LYS 32 - H GLY 18 lone 7 85 - 8 - HD2 LYS 32 - H GLY 18 lone 6 81 - 8 - HG3 ARG 70 - H GLY 18 lone 5 85 - 5 - HB3 GLN 61 - H GLY 18 lone 3 63 - 6 - Peak 4833 from nnoeabs.peaks (1.88, 8.20, 121.35 ppm; 4.62 A): 8 out of 14 assignments used, quality = 0.95: HB3 ARG 26 + H GLU 25 OK 54 100 - 55 - 3.9/904=23, 3.0/520=9...(16) HB2 ARG 26 + H GLU 25 OK 54 100 - 54 - 3.9/904=23, 3.0/520=9...(16) HB3 PRO 14 + H GLU 25 OK 27 98 - 27 - 1.8/523=8, 2.3/3708=4...(8) HB3 ARG 27 + H GLU 25 OK 25 73 - 35 - 4157/3.6=6, 3.0/3754=4...(10) HB2 ARG 27 + H GLU 25 OK 24 71 - 35 - 4157/3.6=6, 3.0/3754=4...(10) HB3 ARG 71 + H GLU 25 OK 19 73 - 25 - 3.0/520=4, 4.0/904=3...(8) HB2 ARG 71 + H GLU 25 OK 18 71 - 25 - 3.0/520=4, 4.0/904=3...(8) HB ILE 68 + H GLU 25 OK 15 85 - 17 - 3.2/5377=6, 5506/4.5=3...(5) HB2 ARG 66 - H GLU 25 lone 10 100 - 10 - 527/4.6=1 HB3 PRO 34 - H GLU 25 lone 5 100 - 5 - HB2 GLN 91 - H GLU 25 lone 3 85 - 4 - HB2 MET 11 - H GLU 25 lone 3 99 - 3 - HB2 LYS 39 - H GLU 25 lone 3 76 - 4 - HG12 ILE 40 - H GLU 25 lone 2 65 - 3 - Peak 4841 from nnoeabs.peaks (3.97, 7.98, 123.05 ppm; 5.01 A): 7 out of 9 assignments used, quality = 0.95: HA ALA 28 + H ALA 30 OK 57 97 - 59 - 3.6/908=22, 2.1/5535=15...(6) HA GLN 61 + H ALA 30 OK 46 100 - 46 - 3.0/5759=8, ~5305=8...(11) HA LYS 32 + H ALA 30 OK 40 99 - 40 - 3.0/79=9, ~4205=7...(8) HA ARG 66 + H ALA 30 OK 25 99 - 25 - 3.0/4194=5, 5378=4...(8) HA VAL 76 + H ALA 30 OK 23 100 - 23 - 3156/4.6=4, 3.0/79=3...(5) HA GLU 50 + H ALA 30 OK 21 100 - 21 - 3.0/909=4, 2179/4.5=4...(6) HA2 GLY 72 + H ALA 30 OK 15 99 - 15 - ~1521=2, 77/4.6=2...(6) HA2 GLY 21 - H ALA 30 lone 7 89 - 7 - 3.5/5538=1 HA3 GLY 21 - H ALA 30 lone 6 87 - 7 - 3.5/5538=1 Peak 4888 from nnoeabs.peaks (7.25, 8.70, 119.49 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.81: H ILE 40 + H ASP 38 OK 75 97 - 77 - 4.6/123=30, 4266/3.6=26...(12) H ASP 47 + H ASP 38 OK 14 92 - 15 - 5592/3.0=4, 4266/3.6=2...(4) HE ARG 54 + H ASP 38 OK 12 96 - 12 - 5592/3.0=4, 914/4.6=3 Peak 4905 from nnoeabs.peaks (3.94, 7.63, 114.41 ppm; 4.91 A): 5 out of 11 assignments used, quality = 0.91: HA THR 37 + H VAL 41 OK 74 100 - 74 - 5588=23, 4266/4.7=22...(15) HA2 GLY 72 + H VAL 41 OK 25 73 - 34 - 4339/4.0=9, 4336/4.0=9...(7) HA GLU 50 + H VAL 41 OK 24 71 - 34 - 3.6/5631=9, 3.0/916=8...(8) HA LEU 62 + H VAL 41 OK 23 92 - 26 - 4310/4.4=6, 4309/4.5=5...(10) HA ALA 28 + H VAL 41 OK 22 85 - 26 - 5928/4.0=5, 4182/4.6=3...(9) HA3 GLY 18 - H VAL 41 OK 14 97 - 14 - 4310/4.4=4, 4309/4.5=4 HA2 GLY 18 - H VAL 41 OK 14 97 - 14 - 4310/4.4=4, 4309/4.5=4 HA VAL 76 - H VAL 41 OK 11 60 - 18 - 4339/4.0=3, 4336/4.0=3...(7) HA3 GLY 21 - H VAL 41 OK 11 96 - 11 - 4309/4.5=2, 4310/4.4=2 HA2 GLY 21 - H VAL 41 OK 10 95 - 11 - 4309/4.5=2, 4310/4.4=2 HA GLN 61 - H VAL 41 poor 8 68 - 11 - 4509/4.7=2, 4336/4.0=1 Peak 4906 from nnoeabs.peaks (1.94, 7.62, 113.85 ppm; 4.65 A): 3 out of 9 assignments used, quality = 0.93: HB VAL 41 + HD21 ASN 42 OK 84 99 - 85 - 1969=19, 4.4/5089=19...(16) HG13 ILE 68 + HD21 ASN 42 OK 43 95 - 46 - 3.2/5041=10, ~4367=7...(14) HB2 MET 31 + HD21 ASN 42 OK 21 100 - 21 - 4.0/5089=4, 3.0/4358=4...(8) HG LEU 57 - HD21 ASN 42 poor 10 87 - 11 - 5308/1.7=2, ~4616=2...(5) HB3 ARG 66 - HD21 ASN 42 lone 8 100 - 8 - ~4735=1 HB2 GLU 19 - HD21 ASN 42 lone 4 65 - 5 - 3.0/4356=1 HB3 ARG 70 - HD21 ASN 42 lone 3 87 - 3 - HB2 ARG 70 - HD21 ASN 42 lone 3 87 - 3 - HB3 GLU 87 - HD21 ASN 42 lone 1 60 - 2 - Peak 4933 from nnoeabs.peaks (0.83, 7.27, 119.22 ppm; 4.96 A): 7 out of 7 assignments used, quality = 0.94: QD1 LEU 43 + H ASP 47 OK 79 100 - 79 - 4914/4.1=23, 2.1/4918=19...(14) QD2 LEU 64 + H ASP 47 OK 27 92 - 30 - 2.1/4432=5, 4447/4.1=4...(10) QG2 ILE 89 + H ASP 47 OK 27 96 - 28 - 3.2/4456=6, 4447/4.1=4...(9) QD1 ILE 89 + H ASP 47 OK 21 85 - 25 - 2.1/4456=7, 5662/3.0=4...(7) QG2 ILE 68 + H ASP 47 OK 16 81 - 20 - 4752/4.1=3, 5662/3.0=3...(6) QD2 LEU 29 + H ASP 47 OK 13 92 - 15 - 4461/4.6=3, 4447/4.1=2...(5) QD2 LEU 86 + H ASP 47 OK 10 100 - 10 - 4461/4.6=2, 4447/4.1=1 Peak 4943 from nnoeabs.peaks (7.24, 7.53, 121.73 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.90: H ALA 53 + H LEU 51 OK 72 90 - 80 - 200/4.6=18, 926=17...(19) H ILE 40 + H LEU 51 OK 44 99 - 45 - 5674/3.0=8, 3.0/5610=6...(14) HE ARG 54 + H LEU 51 OK 32 60 - 53 - 4.0/2323=11, 4.7/2315=9...(10) Peak 4947 from nnoeabs.peaks (8.66, 7.53, 121.73 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.63: H ASN 49 + H LEU 51 OK 63 93 - 67 - 181/4.6=21, 4490=21...(10) Peak 4963 from nnoeabs.peaks (1.78, 7.22, 117.09 ppm; 4.85 A): 6 out of 17 assignments used, quality = 0.94: HB2 ARG 54 + H ALA 53 OK 69 95 - 73 - 4.1/207=29, 4.6/4973=21...(11) HB3 LYS 39 + H ALA 53 OK 33 100 - 33 - 3.0/3805=5, 2.9/673=4...(12) HB3 LYS 73 + H ALA 53 OK 30 100 - 30 - 2.9/203=5, 2.9/673=4...(9) HB2 LYS 32 + H ALA 53 OK 24 100 - 25 - 3.0/4549=5, 2.9/202=4...(7) HB3 LYS 32 + H ALA 53 OK 24 100 - 25 - 3.0/4549=5, 2.9/202=4...(7) HB ILE 33 + H ALA 53 OK 24 97 - 25 - 4219/4.6=6, 3.0/204=4...(7) HB2 LEU 57 - H ALA 53 OK 21 96 - 22 - 2438/4.6=8, 1.8/203=7...(4) HB3 LYS 75 - H ALA 53 OK 12 98 - 12 - 2.7/673=1, 2.7/673=1 HB2 ARG 69 - H ALA 53 OK 10 73 - 14 - 1.8/673=2, 3.0/673=2...(4) HG2 PRO 34 - H ALA 53 OK 10 85 - 12 - 676/4.6=2, 4862/5674=2...(5) HB2 PRO 34 - H ALA 53 lone 9 100 - 9 - 676/4.6=1, 5307=1 HB2 LYS 13 - H ALA 53 lone 9 97 - 9 - 4.8/201=4 HB3 ARG 82 - H ALA 53 lone 6 95 - 6 - HB2 LYS 85 - H ALA 53 lone 5 73 - 6 - HB3 ARG 84 - H ALA 53 lone 4 73 - 6 - HB2 LYS 83 - H ALA 53 lone 4 100 - 4 - HG3 ARG 71 - H ALA 53 lone 2 65 - 3 - Peak 4964 from nnoeabs.peaks (1.60, 7.22, 117.09 ppm; 4.46 A): 9 out of 21 assignments used, quality = 0.95: HB3 LEU 51 + H ALA 53 OK 64 100 - 65 - 4.6/925=22, 3.0/5674=18...(12) HG3 ARG 54 + H ALA 53 OK 37 63 - 59 - 4.9/207=21, 4.8/4973=17...(10) HD3 LYS 73 + H ALA 53 OK 22 99 - 22 - 2.9/203=5, 2.9/673=4...(5) HD2 LYS 73 + H ALA 53 OK 22 99 - 22 - 2.9/203=5, 2.9/673=4...(5) HD2 LYS 32 + H ALA 53 OK 18 99 - 18 - 3.0/202=3, 5.1/4549=3...(5) HD3 LYS 32 + H ALA 53 OK 18 99 - 18 - 3.0/202=3, 5.1/4549=3...(5) HD2 LYS 39 + H ALA 53 OK 18 81 - 22 - 3.0/673=4, 3.5/4963=3...(7) HD3 LYS 39 + H ALA 53 OK 17 78 - 22 - 3.0/673=4, 3.5/4963=3...(7) HB3 LEU 62 + H ALA 53 OK 15 90 - 17 - 196/4.5=4, 4953/206=2...(6) HB3 LEU 29 - H ALA 53 poor 8 73 - 11 - 3.0/672=3, 196/4.5=1 HG LEU 86 - H ALA 53 lone 7 99 - 7 - 196/4.5=1 HG2 ARG 84 - H ALA 53 lone 6 97 - 6 - HG3 ARG 84 - H ALA 53 lone 6 97 - 6 - HB2 LEU 86 - H ALA 53 lone 5 97 - 6 - 196/4.5=1 HG3 ARG 70 - H ALA 53 lone 3 99 - 3 - HG2 ARG 71 - H ALA 53 lone 2 92 - 2 - HG2 ARG 17 - H ALA 53 lone 2 93 - 2 - HG3 ARG 17 - H ALA 53 lone 2 92 - 2 - HG2 ARG 26 - H ALA 53 lone 1 89 - 2 - HG2 ARG 27 - H ALA 53 lone 1 65 - 1 - HG3 ARG 27 - H ALA 53 lone 1 63 - 1 - Peak 4965 from nnoeabs.peaks (2.81, 7.53, 116.98 ppm; 5.21 A): 2 out of 3 assignments used, quality = 0.71: HB2 TYR 55 + H ARG 54 OK 67 97 - 69 - 2.5/5703=45, 684/4.6=27...(6) HB2 ASN 74 + H ARG 54 OK 13 100 - 13 - 684/4.6=5, 2375/5703=3...(4) HB3 ASP 67 - H ARG 54 lone 2 68 - 3 - Peak 4966 from nnoeabs.peaks (3.82, 7.53, 116.98 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.64: HA LEU 52 + H ARG 54 OK 64 85 - 76 - 3.6/207=29, 5141=18...(14) HB3 SER 60 - H ARG 54 lone 8 89 - 9 - 4.4/927=7 HB2 SER 60 - H ARG 54 lone 8 89 - 9 - 4.4/927=7 Peak 4973 from nnoeabs.peaks (7.22, 7.69, 117.85 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.79: H ALA 53 + H TYR 55 OK 73 100 - 73 - 3.6/4581=23, 207/4.6=21...(11) H ILE 40 + H TYR 55 OK 22 71 - 31 - 207/4.6=7, 5949/4.8=6...(8) Peak 4974 from nnoeabs.peaks (6.95, 7.69, 117.85 ppm; 4.97 A): 4 out of 4 assignments used, quality = 0.90: QE PHE 35 + H TYR 55 OK 73 100 - 73 - 4658/4.4=32, 4572/3.8=29...(11) HZ PHE 35 + H TYR 55 OK 47 100 - 47 - 4628/4.4=13, 4972/3.8=13...(11) HZ PHE 48 + H TYR 55 OK 23 100 - 23 - 4628/4.4=3, 4972/3.8=3...(9) HD22 ASN 42 + H TYR 55 OK 13 99 - 13 - 4975/3.8=2, 5088=2...(5) Peak 5018 from nnoeabs.peaks (8.59, 7.42, 119.17 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.92: H ARG 66 + H LEU 64 OK 92 100 - 92 - 936/4.6=34, 5801=32...(11) Peak 5036 from nnoeabs.peaks (4.08, 8.59, 117.85 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.84: HA ALA 63 + H ARG 66 OK 61 81 - 76 - 4691=31, 3.6/5018=23...(13) HA ARG 71 + H ARG 66 OK 32 99 - 32 - 5808/4.6=5, 5167/4.9=4...(13) HA ARG 26 + H ARG 66 OK 28 93 - 30 - 3.0/2682=5, 3.0/2682=5...(11) HA VAL 90 + H ARG 66 OK 15 99 - 15 - 3641/4.9=2, 3.0/743=2...(7) HA GLU 25 - H ARG 66 lone 5 99 - 5 - Peak 5037 from nnoeabs.peaks (4.25, 8.59, 117.85 ppm; 5.27 A): 2 out of 14 assignments used, quality = 0.94: HA LEU 64 + H ARG 66 OK 92 99 - 93 - 3.6/936=44, 5789=41...(15) HA ALA 20 + H ARG 66 OK 24 99 - 24 - 3.6/271=7, 4737/4.6=4...(8) HA LYS 39 - H ARG 66 OK 15 100 - 15 - 265/4.6=4, 1832/5018=2 HA LYS 75 - H ARG 66 OK 14 97 - 14 - 4.7/740=2, 3.6/937=2...(5) HA GLU 19 - H ARG 66 OK 12 100 - 12 - 4737/4.6=3, 4738/5811=2...(5) HA ARG 17 - H ARG 66 OK 12 73 - 16 - 3.0/271=4, 3.6/271=4...(4) HA THR 15 - H ARG 66 OK 11 99 - 11 - 4.9/741=2, 3713/4.6=1...(4) HA SER 60 - H ARG 66 poor 9 73 - 12 - 4995/5786=5, 728/5018=2...(4) HA ASP 38 - H ARG 66 poor 8 71 - 12 - 265/4.6=2, 4737/4.6=2...(4) HA LYS 83 - H ARG 66 lone 6 97 - 6 - HA ALA 77 - H ARG 66 lone 5 81 - 6 - HA ALA 12 - H ARG 66 lone 4 100 - 4 - HA LYS 85 - H ARG 66 lone 3 71 - 4 - HA THR 88 - H ARG 66 lone 2 68 - 3 - Peak 5046 from nnoeabs.peaks (1.24, 8.44, 120.04 ppm; 4.76 A): 4 out of 5 assignments used, quality = 0.97: HG13 ILE 40 + H ILE 68 OK 72 99 - 72 - 3.2/5616=18, 2.1/5622=15...(18) QG1 VAL 65 + H ILE 68 OK 70 100 - 70 - 4.1/5812=27, 3.2/5313=26...(13) HG2 ARG 69 + H ILE 68 OK 46 100 - 46 - 4.7/288=19, 3.9/4747=10...(12) QG2 VAL 65 + H ILE 68 OK 44 71 - 62 - 4.1/5812=27, 3.2/5313=26...(11) HG13 ILE 33 - H ILE 68 OK 20 87 - 23 - 1672/4.6=4, 4853/4.0=3...(7) Peak 5055 from nnoeabs.peaks (0.94, 7.99, 106.73 ppm; 4.15 A): 3 out of 8 assignments used, quality = 0.95: QG2 VAL 41 + H GLY 72 OK 79 100 - 79 - 4335/3.0=32, ~4338=19...(16) HG12 ILE 68 + H GLY 72 OK 63 92 - 68 - 4.0/5845=20, 3.2/5056=10...(18) QG2 ILE 40 + H GLY 72 OK 38 99 - 39 - 4326=7, 3.2/5492=5...(15) QG1 VAL 76 - H GLY 72 OK 26 92 - 28 - 3.2/783=4, 5263/4.5=4...(11) QG2 VAL 76 - H GLY 72 OK 26 92 - 28 - 3.2/783=4, 5263/4.5=4...(11) QD2 LEU 62 - H GLY 72 OK 25 99 - 25 - 3910=3, 3.1/3907=2...(12) QD1 LEU 64 - H GLY 72 OK 16 85 - 18 - 3.1/5842=3, 5834/4.7=2...(7) QD2 LEU 43 - H GLY 72 OK 11 98 - 11 - 5834/4.7=1, 2.1/5056=1 Peak 5056 from nnoeabs.peaks (0.80, 7.99, 106.73 ppm; 4.06 A): 3 out of 6 assignments used, quality = 0.97: QG1 VAL 41 + H GLY 72 OK 77 98 - 78 - 4338/3.0=31, ~4335=19...(17) QG2 ILE 68 + H GLY 72 OK 74 100 - 75 - 3.2/5845=22, 3936=12...(20) QD1 ILE 68 + H GLY 72 OK 51 73 - 69 - 4.1/5845=19, 4797/3.0=8...(22) QD1 ILE 89 - H GLY 72 OK 19 99 - 19 - 5264/4.5=4, 4795/3.0=2...(5) QD1 LEU 43 - H GLY 72 poor 8 71 - 11 - 2.1/5055=1, 5835/4.7=1 QD2 LEU 86 - H GLY 72 lone 4 63 - 7 - 5835/4.7=1 Peak 5065 from nnoeabs.peaks (3.03, 8.05, 120.90 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 81 + H TYR 81 OK 100 100 - 100 - 3.9=100 HD2 ARG 54 - H TYR 81 OK 18 100 - 18 - 4676/4.5=5, 5454/3.0=4...(7) HD3 ARG 54 - H TYR 81 OK 18 100 - 18 - 4676/4.5=5, 5454/3.0=4...(7) Peak 5066 from nnoeabs.peaks (1.36, 7.96, 120.67 ppm; 4.47 A): 4 out of 14 assignments used, quality = 0.98: HG3 ARG 69 + H VAL 76 OK 69 96 - 72 - 3944=12, 1.8/3943=11...(23) HG2 LYS 75 + H VAL 76 OK 63 71 - 89 - 4.9=74, 3.9/3975=19...(14) HG3 LYS 75 + H VAL 76 OK 63 71 - 89 - 4.9=74, 3.9/3975=19...(14) QB ALA 77 + H VAL 76 OK 54 97 - 56 - 2.9/5411=20, ~349=12...(10) HB3 ARG 69 - H VAL 76 OK 40 57 - 69 - 1.8/3941=12, 4.0/940=9...(23) HG3 LYS 73 - H VAL 76 OK 28 76 - 37 - 3.8/5431=8, 2.9/340=6...(12) QB ALA 28 - H VAL 76 OK 20 68 - 29 - 2.9/5411=6, 2.1/3761=5...(11) QB ALA 78 - H VAL 76 OK 19 76 - 26 - 818/4.5=5, 3.6/5411=5...(9) HG2 LYS 85 - H VAL 76 OK 14 95 - 15 - 6145/3.6=2, 3.8/339=2...(5) HG2 LYS 83 - H VAL 76 lone 8 100 - 8 - 3.7/339=2, 2.9/341=1 QB ALA 20 - H VAL 76 lone 8 95 - 8 - QB ALA 53 - H VAL 76 lone 6 63 - 9 - 4962/3.0=2, 2.1/5431=2, ~4549=1 QB ALA 16 - H VAL 76 lone 3 100 - 3 - HB2 LEU 52 - H VAL 76 lone 2 60 - 3 - Peak 5084 from nnoeabs.peaks (3.89, 8.20, 121.35 ppm; 5.48 A): 2 out of 4 assignments used, quality = 0.70: HB3 SER 22 + H GLU 25 OK 66 100 - 67 - 1.8/5085=27, 5320/4.6=15...(8) HA LEU 51 + H GLU 25 OK 12 100 - 12 - 3.0/5511=2, 5679/4.0=2...(4) HA ILE 33 - H GLU 25 lone 3 100 - 3 - HD2 PRO 36 - H GLU 25 lone 2 78 - 2 - Peak 5085 from nnoeabs.peaks (4.03, 8.20, 121.35 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.48: HB2 SER 22 + H GLU 25 OK 42 85 - 50 - 1.8/5084=24, 1252=11...(6) HD2 PRO 44 + H GLU 25 OK 11 99 - 11 - 4396/4.5=3, 2.3/521=2...(4) HA ARG 70 - H GLU 25 poor 8 63 - 12 - 3.6/904=4, 4.7/520=3...(4) HA GLU 59 - H GLU 25 lone 6 92 - 6 - 4.2/524=2, 2487/5.0=2 HA PHE 48 - H GLU 25 lone 5 100 - 5 - HA ARG 54 - H GLU 25 lone 3 78 - 4 - 4156/4.6=1, 1258/5084=1 Peak 5086 from nnoeabs.peaks (1.33, 7.71, 115.23 ppm; 4.66 A): 5 out of 7 assignments used, quality = 0.95: QB ALA 28 + H MET 31 OK 65 96 - 68 - 3.6/5525=15, 2.1/4182=15...(13) QG2 THR 58 + H MET 31 OK 47 93 - 51 - 3.2/555=11, 2479/3.0=9...(12) HG3 LYS 32 + H MET 31 OK 35 100 - 35 - 4.9/89=15, 3.9/4193=5...(7) HB2 LEU 51 + H MET 31 OK 34 100 - 34 - 5676=5, 1.8/5677=5...(8) HB2 LEU 52 + H MET 31 OK 31 98 - 32 - 5535/4.5=5, 3.9/5687=4...(9) HG2 ARG 54 - H MET 31 OK 21 83 - 25 - 5705=4, 3.0/3872=3...(7) QB ALA 12 - H MET 31 lone 4 99 - 4 - Peak 5088 from nnoeabs.peaks (7.72, 6.94, 113.85 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.88: H ASN 42 + HD22 ASN 42 OK 83 100 - 83 - 5.7=41, 5089/1.7=28...(11) H MET 31 + HD22 ASN 42 OK 17 97 - 17 - 5089/1.7=6, 4.7/4359=2...(6) H GLU 50 + HD22 ASN 42 OK 12 97 - 12 - 5089/1.7=4, 1996/3.5=2...(4) H TYR 55 - HD22 ASN 42 poor 7 65 - 11 - 4974=2, 3.8/4975=1...(5) Peak 5089 from nnoeabs.peaks (7.72, 7.62, 113.85 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.89: H ASN 42 + HD21 ASN 42 OK 84 100 - 84 - 5.7=38, 5088/1.7=26...(11) H MET 31 + HD21 ASN 42 OK 17 97 - 18 - 5088/1.7=5, 4.0/4906=3...(7) H GLU 50 + HD21 ASN 42 OK 13 97 - 13 - 5088/1.7=4, 1996/3.5=2...(5) H TYR 55 - HD21 ASN 42 lone 4 65 - 6 - 5088/1.7=2 Peak 5090 from nnoeabs.peaks (2.62, 9.06, 113.20 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.93: HG2 GLN 61 + H THR 58 OK 74 85 - 88 - 3.0/4653=33, 3.0/4654=29...(13) HG2 MET 31 + H THR 58 OK 72 100 - 73 - 1.8/4625=19, 1543/3.0=14...(19) HB2 ASP 38 - H THR 58 lone 7 100 - 7 - HB3 ASP 38 - H THR 58 lone 6 100 - 6 - Peak 5091 from nnoeabs.peaks (4.77, 8.51, 114.41 ppm; 3.59 A): 0 out of 2 assignments used, low quality = 0.21: HB THR 58 - H SER 60 OK 21 99 - 21 - 234/4.7=13, 2.1/4643=8 HA LEU 57 - H SER 60 lone 8 100 - 8 - 234/4.7=5, ~4995=2, 2480/4643=1 Peak 5122 from nnoeabs.peaks (6.94, 7.24, 115.36 ppm; 4.81 A): 4 out of 4 assignments used, quality = 0.99: QE PHE 35 + H ILE 40 OK 79 99 - 80 - 2.2/5609=32, ~5608=19...(20) HD22 ASN 42 + H ILE 40 OK 67 100 - 68 - 1.7/915=17, 5.7/5633=9...(18) HZ PHE 48 + H ILE 40 OK 65 97 - 67 - ~5120=25, ~4606=9...(14) HZ PHE 35 + H ILE 40 OK 61 99 - 62 - 3.8/5609=25, 5121/3.0=7...(15) Peak 5179 from nnoeabs.peaks (4.15, 7.91, 120.59 ppm; 4.61 A): 5 out of 10 assignments used, quality = 0.83: HA LEU 29 + H ILE 33 OK 63 99 - 64 - 5188=35, 4.9/5303=23...(10) HA ALA 30 + H ILE 33 OK 25 87 - 28 - 3.6/5544=11, 4205/4.6=8...(5) HA ILE 89 + H ILE 33 OK 17 90 - 19 - 4.0/1665=7, 3.2/5559=7...(4) HA LYS 73 + H ILE 33 OK 16 80 - 20 - 5188=9, 4205/4.6=3...(4) HA ASN 49 + H ILE 33 OK 12 92 - 13 - 4205/4.6=2, 3.6/5544=2...(5) HA ALA 53 - H ILE 33 lone 7 97 - 7 - 4205/4.6=2, 4582/5544=1 HA ARG 82 - H ILE 33 lone 3 76 - 4 - HB THR 15 - H ILE 33 lone 3 93 - 3 - HA GLN 91 - H ILE 33 lone 1 83 - 2 - HA ARG 23 - H ILE 33 lone 1 65 - 2 - Peak 5181 from nnoeabs.peaks (1.94, 7.91, 120.59 ppm; 5.28 A): 7 out of 8 assignments used, quality = 0.92: HG LEU 57 + H ILE 33 OK 63 92 - 69 - 2.1/576=21, ~1650=15...(14) HB2 MET 31 + H ILE 33 OK 58 100 - 58 - 3.0/5556=28, 4.0/5544=13...(7) HB3 ARG 66 + H ILE 33 OK 19 100 - 19 - 91/4.6=4, 3.0/96=3...(6) HG13 ILE 68 + H ILE 33 OK 13 90 - 14 - 5168/4.5=4, 4223/4.8=3 HB VAL 41 + H ILE 33 OK 12 97 - 13 - 91/4.6=3, 4.4/5544=2...(4) HB3 ARG 70 + H ILE 33 OK 10 92 - 11 - 91/4.6=3, 2691/3.6=1, 3.0/96=1 HB2 ARG 70 + H ILE 33 OK 10 92 - 11 - 91/4.6=3, 2691/3.6=1, 3.0/96=1 HB2 GLN 79 - H ILE 33 lone 2 65 - 4 - Peak 5224 from nnoeabs.peaks (4.02, 7.43, 115.28 ppm; 4.65 A): 5 out of 6 assignments used, quality = 0.94: HA ARG 54 + H LEU 52 OK 66 95 - 70 - 3.0/193=15, ~4966=14...(15) HA PHE 48 + H LEU 52 OK 64 99 - 64 - 4470/4.6=24, 4469/4.6=20...(10) HB2 SER 22 + H LEU 52 OK 34 97 - 35 - 1.8/194=7, 1255/3.6=5...(9) HD2 PRO 44 + H LEU 52 OK 18 89 - 21 - 5646/4.6=5, 4.8/193=4...(6) HA ARG 70 + H LEU 52 OK 11 85 - 12 - 5695/4.8=2, 5694/4.8=2 HA GLU 59 - H LEU 52 poor 9 73 - 12 - 4645/5776=3, 4523/4.6=2...(5) Peak 5235 from nnoeabs.peaks (1.48, 8.82, 120.20 ppm; 3.92 A): 3 out of 5 assignments used, quality = 0.94: HB3 LEU 57 + H LEU 62 OK 73 92 - 79 - 4.2/5368=19, 3.1/4673=13...(22) QB ALA 63 + H LEU 62 OK 65 100 - 66 - 2.9/254=25, 5787=19...(9) HB3 LEU 52 + H LEU 62 OK 40 97 - 41 - ~5309=10, 3.9/5776=7...(14) HG2 LYS 73 - H LEU 62 OK 11 100 - 11 - 4657/4.6=1, 5005/4.8=1...(4) HG3 LYS 13 - H LEU 62 lone 6 65 - 9 - 2.9/249=2, 2.9/249=2 Peak 5263 from nnoeabs.peaks (0.94, 8.00, 120.49 ppm; 4.44 A): 4 out of 8 assignments used, quality = 0.97: QG2 VAL 41 + H LYS 73 OK 74 100 - 74 - 4335/3.6=32, 2.1/5264=14...(15) QG2 VAL 76 + H LYS 73 OK 58 93 - 62 - ~16037=21, ~15432=20...(13) QG1 VAL 76 + H LYS 73 OK 58 93 - 62 - ~16037=21, ~15432=20...(13) HG12 ILE 68 + H LYS 73 OK 43 93 - 46 - 3.2/5264=7, 4794/3.6=7...(12) QD2 LEU 62 - H LYS 73 OK 30 100 - 29 - 3910=3, 5962/4.5=2...(12) QG2 ILE 40 - H LYS 73 OK 26 100 - 26 - 4326/4.5=4, 4796/3.6=3...(7) QD1 LEU 64 - H LYS 73 poor 9 83 - 11 - 5055/4.5=1, 5794/3.6=1 QD2 LEU 43 - H LYS 73 lone 9 97 - 9 - Peak 5264 from nnoeabs.peaks (0.80, 8.00, 120.49 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.96: QG1 VAL 41 + H LYS 73 OK 77 100 - 78 - 4338/3.6=31, 5626/3.0=14...(17) QG2 ILE 68 + H LYS 73 OK 51 99 - 52 - 4795/3.6=9, 4797/3.6=9...(15) QD1 ILE 89 + H LYS 73 OK 47 97 - 48 - 3633/3.0=7, 3.2/787=6...(17) QD1 ILE 68 + H LYS 73 OK 37 83 - 44 - 4797/3.6=8, 4795/3.6=7...(13) QD1 LEU 43 - H LYS 73 lone 5 60 - 8 - 2.1/5263=1 Peak 5267 from nnoeabs.peaks (6.86, 7.47, 112.19 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 79 + HE21 GLN 79 OK 100 100 - 100 - 1.7=100 HD21 ASN 49 - HE21 GLN 79 OK 18 100 - 18 - 5440=7, ~440=3, ~445=3...(5) Peak 5268 from nnoeabs.peaks (0.83, 8.17, 124.35 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 89 + H ILE 89 OK 98 98 - 100 - 4.0=100 QD1 ILE 89 + H ILE 89 OK 71 78 - 90 - 4.9=75, 2.1/879=19...(7) QD1 LEU 43 - H ILE 89 OK 38 100 - 38 - 3617/4.0=7, 3635/4.9=6...(9) QD2 LEU 29 - H ILE 89 OK 35 96 - 37 - 4840/4.5=8, 3600/3.0=6...(12) QD2 LEU 86 - H ILE 89 OK 33 100 - 33 - 4840/4.5=6, 3600/3.0=5...(11) QD2 LEU 64 - H ILE 89 OK 15 96 - 16 - 3600/3.0=3, 3607/4.0=2...(6) QG2 ILE 68 - H ILE 89 lone 7 73 - 10 - 3610/4.0=2, 3603/3.0=2...(4) Peak 5269 from nnoeabs.peaks (1.45, 8.17, 124.35 ppm; 4.14 A): 4 out of 9 assignments used, quality = 0.94: HG13 ILE 89 + H ILE 89 OK 85 99 - 86 - 4.5=76, 1.8/879=18...(5) HB3 LEU 43 + H ILE 89 OK 25 97 - 26 - 3616/4.0=5, 3609/4.0=4...(8) QB ALA 30 + H ILE 89 OK 25 100 - 25 - 5539=6, 2.1/409=4...(11) HG12 ILE 33 + H ILE 89 OK 23 100 - 23 - 3629/4.5=5, 3616/4.0=4...(6) HG3 LYS 85 - H ILE 89 OK 18 99 - 18 - 2.9/877=3, 3602/3.0=2...(8) HG3 LYS 13 - H ILE 89 OK 15 98 - 16 - 3616/4.0=2, 3609/4.0=2...(7) HG2 LYS 13 - H ILE 89 OK 13 73 - 17 - 3616/4.0=3, 3609/4.0=2...(8) HB3 LEU 57 - H ILE 89 lone 7 81 - 9 - 2442=1, 1.8/2435=1 HB3 LEU 52 - H ILE 89 lone 1 68 - 2 - Peak 5275 from nnoeabs.peaks (2.02, 8.13, 115.78 ppm; 5.09 A): 1 out of 15 assignments used, quality = 0.98: HB2 GLU 87 + H THR 88 OK 98 98 - 100 - 4.6=100 HB3 GLU 19 - H THR 88 OK 44 90 - 49 - 3557/3.6=10, 1.8/5901=8...(12) HB3 GLN 91 - H THR 88 OK 15 87 - 17 - 3562/3.6=3, 3.0/873=3...(6) HB3 GLU 50 - H THR 88 lone 8 87 - 9 - 3557/3.6=3, 867/4.6=2 HB2 GLU 50 - H THR 88 lone 8 87 - 9 - 3557/3.6=3, 867/4.6=2 HB3 PRO 56 - H THR 88 lone 7 98 - 7 - 1.8/3880=1 HG2 PRO 56 - H THR 88 lone 6 92 - 6 - 2.3/3880=1 HD3 ARG 69 - H THR 88 lone 4 99 - 4 - HD2 ARG 69 - H THR 88 lone 4 99 - 4 - HB3 MET 11 - H THR 88 lone 3 90 - 3 - HG2 ARG 66 - H THR 88 lone 3 96 - 3 - HB VAL 90 - H THR 88 lone 3 100 - 3 - HB VAL 76 - H THR 88 lone 2 78 - 3 - HG2 PRO 44 - H THR 88 lone 2 71 - 2 - HB3 GLN 79 - H THR 88 lone 1 63 - 2 - Peak 5277 from nnoeabs.peaks (1.81, 8.27, 125.92 ppm; 5.06 A): 1 out of 20 assignments used, quality = 0.92: HB ILE 89 + H VAL 90 OK 92 92 - 100 - 4.4=100 HB2 LYS 73 - H VAL 90 OK 22 93 - 24 - 3599/3.6=7, 3613/4.4=7...(5) HB2 LYS 85 - H VAL 90 OK 14 99 - 14 - 3599/3.6=3, 3613/4.4=3...(5) HB3 ARG 84 - H VAL 90 OK 14 99 - 14 - 3599/3.6=3, 5891/4.6=3...(4) HB2 LYS 13 - H VAL 90 OK 12 85 - 14 - 3.0/5924=4, 1.8/1009=3...(5) HB2 ARG 69 - H VAL 90 lone 8 99 - 8 - 3613/4.4=1, 3599/3.6=1 HB3 LYS 75 - H VAL 90 lone 3 81 - 4 - HB2 LYS 85 - H ALA 12 lone 3 52 - 6 - 468/4.6=2 HB ILE 89 - H ALA 12 lone 3 45 - 7 - 5903/4.6=3 HB2 LYS 83 - H VAL 90 lone 3 65 - 4 - HB3 LYS 39 - H VAL 90 lone 2 68 - 4 - HB3 LYS 75 - H ALA 12 lone 2 37 - 5 - 468/4.6=2 HB2 ARG 69 - H ALA 12 lone 2 52 - 3 - 468/4.6=1 HB3 LYS 39 - H ALA 12 lone 1 30 - 5 - 468/4.6=2 HB2 PRO 34 - H VAL 90 lone 1 60 - 2 - HB3 ARG 84 - H ALA 12 lone 1 52 - 2 - HB2 LYS 83 - H ALA 12 lone 1 28 - 4 - HB2 LYS 73 - H ALA 12 lone 1 46 - 2 - HB2 LYS 13 - H ALA 12 lone 1 40 - 3 - HB2 PRO 34 - H ALA 12 lone 1 26 - 3 - Peak 5296 from nnoeabs.peaks (7.26, 7.26, 84.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 54 + HE ARG 54 OK 100 100 - 100 Peak 5297 from nnoeabs.peaks (3.02, 7.26, 84.81 ppm; 5.21 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 54 + HE ARG 54 OK 100 100 - 100 - 2.9=100 HD3 ARG 54 + HE ARG 54 OK 99 99 - 100 - 2.9=100 HB2 TYR 81 - HE ARG 54 OK 45 97 - 46 - ~4676=7, ~6006=7...(11) Peak 5300 from nnoeabs.peaks (3.18, 8.34, 120.23 ppm; 5.35 A): 6 out of 15 assignments used, quality = 0.83: HD2 ARG 23 + H ASP 24 OK 32 95 - 34 - 3.5/44=12, 3.5/44=12...(4) HD3 ARG 23 + H ASP 24 OK 32 95 - 34 - 3.5/44=12, 3.5/44=12...(4) HD3 ARG 27 + H ASP 24 OK 30 98 - 31 - 5.4/43=9, 3.5/45=6...(7) HD2 ARG 27 + H ASP 24 OK 30 98 - 31 - 5.4/43=9, 3.5/45=6...(7) HD3 ARG 26 + H ASP 24 OK 14 100 - 14 - ~4157=3, ~5346=2...(5) HD2 ARG 26 + H ASP 24 OK 14 100 - 14 - ~4157=3, ~5346=2...(5) HD3 ARG 66 - H ASP 24 lone 9 98 - 9 - 3.0/5504=2 HD2 ARG 66 - H ASP 24 lone 9 97 - 9 - 3.0/5504=2 HD3 ARG 70 - H ASP 24 poor 8 68 - 12 - 5.3/4156=3, ~5052=3 HD2 ARG 70 - H ASP 24 poor 7 63 - 12 - 5.3/4156=3, ~5052=3 HD2 ARG 17 - H ASP 24 lone 5 87 - 6 - HD3 ARG 17 - H ASP 24 lone 5 87 - 6 - HD3 ARG 71 - H ASP 24 lone 5 78 - 6 - 3.5/45=2, 3.5/45=2 HD2 ARG 82 - H ASP 24 lone 3 57 - 5 - 3.6/5504=1 HD3 ARG 84 - H ASP 24 lone 2 60 - 3 - Peak 5301 from nnoeabs.peaks (4.78, 6.83, 111.22 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.75: HB THR 58 + HE22 GLN 61 OK 54 78 - 69 - ~5755=25, ~5230=15...(11) HA LEU 57 + HE22 GLN 61 OK 46 83 - 56 - 4.0/4672=20, 6100/4.6=15...(6) Peak 5345 from nnoeabs.peaks (4.13, 8.13, 119.29 ppm; 4.00 A): 4 out of 14 assignments used, quality = 0.64: HA ARG 27 + H ARG 26 OK 49 87 - 57 - 3.0/5380=23, 5341=14...(15) HA ARG 23 + H ARG 26 OK 11 99 - 11 - 5341=4, 534/4.6=2 HA ALA 30 + H ARG 26 OK 11 100 - 11 - ~5387=2, 534/4.6=2...(5) HA LEU 29 + H ARG 26 OK 10 65 - 16 - 4.0/5516=4, ~5348=2...(7) HA GLN 91 - H ARG 26 lone 9 100 - 9 - 3661/3.9=1, 3661/3.9=1, ~419=1 HB THR 88 - H ARG 26 lone 8 93 - 9 - 3589=3, 3.0/5997=2, 534/4.6=1 HA ARG 27 - H ASN 74 lone 2 44 - 4 - 3.0/5380=1 HA ASN 49 - H ARG 26 lone 1 100 - 1 - HA ALA 30 - H ASN 74 lone 1 58 - 2 - HA ARG 23 - H ASN 74 lone 1 56 - 2 - HB THR 88 - H ASN 74 lone 1 50 - 2 - HA LEU 29 - H ASN 74 lone 1 31 - 3 - HA GLN 91 - H ASN 74 lone 1 58 - 1 - HA ASN 49 - H ASN 74 lone 1 57 - 1 - Peak 5347 from nnoeabs.peaks (4.09, 8.21, 122.47 ppm; 3.56 A): 4 out of 12 assignments used, quality = 0.91: HA ARG 27 + H ALA 28 OK 78 78 - 99 - 3.6=99, 4181/2.9=8...(9) HA GLU 25 + H ALA 28 OK 39 100 - 39 - 4181/2.9=9, 3.6/54=4...(15) HA ARG 26 + H ALA 28 OK 18 71 - 26 - 4181/2.9=6, 3.0/54=5...(9) HA ARG 71 + H ALA 28 OK 15 87 - 17 - 4181/2.9=4, 4184/4.6=3...(6) HA VAL 90 - H ALA 28 lone 5 87 - 6 - 4184/4.6=2, 4181/2.9=1 HA ARG 71 - H ARG 84 lone 5 69 - 7 - HA GLU 25 - H ARG 84 lone 4 85 - 5 - HA ARG 27 - H ARG 84 lone 3 61 - 6 - HA ARG 26 - H ARG 84 lone 3 54 - 6 - HA VAL 90 - H ARG 84 lone 2 69 - 2 - HB THR 88 - H ALA 28 lone 1 68 - 2 - HB THR 88 - H ARG 84 lone 0 52 - 1 - Peak 5359 from nnoeabs.peaks (4.50, 7.83, 112.13 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.80: HA ASP 46 + HD22 ASN 49 OK 60 100 - 60 - 4488/3.5=13, 5360/3.5=13...(11) HA ASP 67 + HD22 ASN 49 OK 36 83 - 44 - 4488/3.5=10, 5360/3.5=9...(11) HA ASP 24 + HD22 ASN 49 OK 22 97 - 23 - 5360/3.5=5, 4488/3.5=5...(6) Peak 5368 from nnoeabs.peaks (9.06, 8.82, 120.20 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.87: H THR 58 + H LEU 62 OK 87 100 - 88 - 4621=30, 4648/4.6=23...(15) Peak 5379 from nnoeabs.peaks (3.98, 7.98, 119.32 ppm; 3.90 A): 5 out of 11 assignments used, quality = 0.93: HA2 GLY 72 + H ARG 69 OK 52 90 - 57 - ~15492=12, 2952=8...(17) HA VAL 76 + H ARG 69 OK 50 97 - 52 - 3.0/940=10, 3156=5...(21) HA ARG 66 + H ARG 69 OK 47 100 - 47 - 5378=8, 4733/4.0=7...(18) HA ARG 70 + H ARG 69 OK 28 76 - 37 - 2.9/940=14, 3.6/5825=11...(8) HA LYS 32 + H ARG 69 OK 22 100 - 22 - 3.0/940=3, 1554/4.6=3...(10) HA ALA 28 - H ARG 69 OK 20 81 - 25 - 5928/4.1=7, 4176/5.0=3...(9) HA GLU 50 - H ARG 69 OK 15 92 - 17 - 4502/4.0=3, 5047/4.0=2...(7) HA GLN 61 - H ARG 69 OK 13 93 - 14 - 3.6/933=2, 4.7/3906=2 HA2 GLY 21 - H ARG 69 lone 4 65 - 6 - HA3 GLY 21 - H ARG 69 lone 4 63 - 6 - HA ARG 54 - H ARG 69 lone 2 60 - 3 - Peak 5380 from nnoeabs.peaks (8.13, 8.18, 120.59 ppm; 3.10 A): 3 out of 7 assignments used, quality = 0.67: H ARG 26 + H ARG 27 OK 55 100 - 56 - 4.6=30, 5345/3.0=8...(16) H ARG 71 + H ARG 27 OK 14 81 - 18 - 2.9/61=3, 775/3.6=3...(6) H THR 88 + H ARG 27 OK 13 100 - 13 - 3.0/4035=3, 873/3.0=3...(4) H LEU 57 - H ARG 27 lone 3 73 - 4 - H ASN 74 - H ARG 27 lone 3 71 - 4 - H LYS 85 - H ARG 27 lone 3 78 - 3 - H ALA 78 - H ARG 27 lone 1 81 - 1 - Peak 5382 from nnoeabs.peaks (3.17, 8.18, 120.59 ppm; 4.56 A): 4 out of 14 assignments used, quality = 0.99: HD2 ARG 27 + H ARG 27 OK 76 100 - 76 - 6.3=39, 3.0/538=10...(20) HD3 ARG 27 + H ARG 27 OK 76 100 - 76 - 6.3=39, 3.0/538=10...(20) HD3 ARG 26 + H ARG 27 OK 57 100 - 57 - 6.1/5380=12, 3.5/63=10...(21) HD2 ARG 26 + H ARG 27 OK 57 100 - 57 - 6.1/5380=12, 3.5/63=10...(21) HD2 ARG 23 - H ARG 27 OK 31 99 - 32 - ~1285=5, ~1293=3...(16) HD3 ARG 23 - H ARG 27 OK 31 99 - 32 - ~1285=5, ~1293=3...(16) HD2 ARG 17 - H ARG 27 OK 21 95 - 23 - 3.6/65=3, 3.0/537=3...(6) HD3 ARG 17 - H ARG 27 OK 21 95 - 23 - 3.6/65=3, 3.0/537=3...(6) HD3 ARG 71 - H ARG 27 OK 20 65 - 31 - 3.0/65=6, 4.7/61=5...(8) HD3 ARG 66 - H ARG 27 OK 11 93 - 12 - 532/4.6=1, 1364/3.6=1 HD2 ARG 66 - H ARG 27 OK 10 90 - 12 - 532/4.6=1, 1364/3.6=1 HD3 ARG 84 - H ARG 27 lone 5 73 - 7 - 3.5/5890=1, 3.5/5891=1 HD2 ARG 84 - H ARG 27 lone 5 68 - 7 - 3.5/5890=1, 3.5/5891=1 HD2 ARG 82 - H ARG 27 lone 2 71 - 3 - Peak 5383 from nnoeabs.peaks (4.49, 8.18, 120.59 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.56: HA ASP 24 + H ARG 27 OK 56 99 - 57 - 5384=19, 4169/4.6=11...(16) HA ASP 67 - H ARG 27 poor 9 87 - 11 - 4169/4.6=3, 6057/4.6=1 HA ASP 46 - H ARG 27 lone 6 100 - 6 - 4169/4.6=2 Peak 5387 from nnoeabs.peaks (4.09, 7.98, 123.05 ppm; 3.81 A): 4 out of 6 assignments used, quality = 0.70: HA ARG 27 + H ALA 30 OK 39 78 - 51 - 5388/2.9=19, 5386=9...(12) HA GLU 25 + H ALA 30 OK 24 100 - 25 - 5388/2.9=6, 2.9/5538=4...(9) HA ARG 71 + H ALA 30 OK 21 87 - 24 - 5388/2.9=5, 4184/4.6=4...(6) HA ARG 26 + H ALA 30 OK 18 71 - 25 - 3.0/4194=5, 3.0/4194=5...(9) HA VAL 90 - H ALA 30 poor 10 87 - 11 - 5348/4.6=3, 4184/4.6=2...(6) HB THR 88 - H ALA 30 lone 3 68 - 4 - 5388/2.9=2 Peak 5389 from nnoeabs.peaks (3.51, 8.11, 117.98 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.74: * HA ILE 68 + H ARG 71 OK 74 100 - 74 - 5815=28, 5845/4.7=21...(12) Peak 5390 from nnoeabs.peaks (8.11, 7.95, 118.23 ppm; 3.47 A): 3 out of 5 assignments used, quality = 0.80: * H ARG 71 + H ARG 70 OK 66 100 - 66 - 4.6=42, 5837/3.6=7...(13) H LYS 75 + H ARG 70 OK 26 92 - 28 - 3.0/3975=4, 5410=4...(11) H LYS 85 + H ARG 70 OK 19 100 - 19 - 5391/2.9=3, 5825/4.6=2...(7) H ARG 26 - H ARG 70 lone 5 71 - 7 - 5391/2.9=1 H THR 88 - H ARG 70 lone 3 71 - 5 - 4.6/5826=2 Peak 5397 from nnoeabs.peaks (8.11, 7.99, 106.73 ppm; 3.43 A): 4 out of 5 assignments used, quality = 0.80: * H ARG 71 + H GLY 72 OK 68 100 - 68 - 4.7=40, 2928/5.0=7...(14) H LYS 75 + H GLY 72 OK 18 92 - 20 - 6034/3.0=4, 6033/3.0=3...(7) H ARG 26 + H GLY 72 OK 12 71 - 16 - 3.0/312=4, 2928/5.0=3...(5) H LYS 85 + H GLY 72 OK 11 100 - 11 - 6034/3.0=2, 6033/3.0=2 H THR 88 - H GLY 72 lone 1 71 - 2 - Peak 5410 from nnoeabs.peaks (7.96, 8.09, 121.69 ppm; 4.32 A): 2 out of 16 assignments used, quality = 0.96: H VAL 76 + H LYS 75 OK 94 100 - 94 - 4.6=84, 3975/3.0=22...(13) H ARG 70 + H LYS 75 OK 42 99 - 43 - 5390=10, 3975/3.0=6...(14) H ARG 69 - H LYS 75 OK 28 73 - 39 - 5825=10, 940/4.6=5...(13) H ARG 70 - H LYS 85 OK 16 52 - 30 - 5390=7, 2.9/5391=4...(13) H LEU 29 - H LYS 75 OK 15 99 - 15 - 3975/3.0=3, 908/4.6=2...(4) H VAL 76 - H LYS 85 OK 12 54 - 23 - 3.6/3066=6, 5431/3.6=2...(8) H LEU 29 - H LYS 85 poor 9 52 - 17 - 76/4.6=4, 546/4.6=3...(6) H LYS 32 - H LYS 75 lone 8 87 - 9 - 3.0/5851=1, 3975/3.0=1 H ALA 30 - H LYS 75 lone 7 73 - 9 - 79/4.6=2, 3975/3.0=1 H ARG 69 - H LYS 85 poor 6 33 - 17 - 5825=5, 4.6/5390=4...(4) H ALA 63 - H LYS 75 lone 5 85 - 6 - H ASP 67 - H LYS 75 lone 4 63 - 7 - 3.6/5851=1 H ALA 30 - H LYS 85 poor 3 33 - 10 - 5538/4.6=2, 81/4.6=1...(4) H LYS 32 - H LYS 85 lone 2 41 - 5 - H ALA 63 - H LYS 85 lone 2 40 - 4 - H ASP 67 - H LYS 85 lone 1 27 - 4 - Peak 5411 from nnoeabs.peaks (8.23, 7.96, 120.67 ppm; 3.89 A): 3 out of 8 assignments used, quality = 0.91: H ALA 77 + H VAL 76 OK 84 100 - 84 - 4.5=62, 349/3.0=22...(13) H ALA 28 + H VAL 76 OK 26 95 - 27 - 907=6, 3984/3.0=4...(12) H GLN 79 + H VAL 76 OK 22 97 - 23 - 3984/3.0=7, 3.0/5431=5...(7) H ARG 84 - H VAL 76 poor 9 65 - 14 - 907=2, 3.0/5431=2...(4) H SER 22 - H VAL 76 lone 5 92 - 5 - H THR 15 - H VAL 76 lone 4 78 - 5 - H GLU 25 - H VAL 76 lone 4 71 - 5 - H ALA 12 - H VAL 76 lone 3 95 - 3 - Peak 5414 from nnoeabs.peaks (1.99, 8.22, 118.71 ppm; 3.75 A): 2 out of 10 assignments used, quality = 0.94: HB3 GLN 79 + H GLN 79 OK 86 100 - 86 - 4.0=80, 3.0/5415=12...(6) HB2 GLN 79 + H GLN 79 OK 54 63 - 86 - 4.0=80, 3.0/5415=12...(7) HG2 ARG 66 - H GLN 79 lone 5 90 - 5 - 3205/3.0=1 HG2 PRO 14 - H GLN 79 lone 4 97 - 4 - HG3 PRO 14 - H GLN 79 lone 4 97 - 4 - HB2 LEU 64 - H GLN 79 lone 4 76 - 5 - 3.1/5013=1 QE MET 31 - H GLN 79 lone 3 100 - 3 - HG LEU 43 - H GLN 79 lone 2 99 - 2 - HB VAL 90 - H GLN 79 lone 1 73 - 2 - HB3 MET 11 - H GLN 79 lone 1 96 - 1 - Peak 5415 from nnoeabs.peaks (2.32, 8.22, 118.71 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.98: HG2 GLN 79 + H GLN 79 OK 86 100 - 86 - 5.1=59, 3.0/5414=19...(10) HG3 GLN 79 + H GLN 79 OK 86 100 - 86 - 5.1=59, 3.0/5414=19...(10) HG3 GLU 25 - H GLN 79 lone 3 78 - 4 - HG3 GLU 59 - H GLN 79 lone 3 100 - 2 - Peak 5418 from nnoeabs.peaks (2.70, 8.28, 119.06 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 80 + H ASN 80 OK 100 100 - 100 - 3.8=100 HD2 PRO 34 - H ASN 80 OK 13 83 - 16 - 5424/3.0=4, 5877/3.8=3...(6) HB2 ASP 46 - H ASN 80 lone 7 100 - 6 - 5424/3.0=1, 5470/4.7=1 HB3 ASN 49 - H ASN 80 lone 3 71 - 4 - 6018/5.3=1 Peak 5419 from nnoeabs.peaks (2.76, 8.28, 119.06 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 80 + H ASN 80 OK 100 100 - 100 - 3.8=100 HB3 ASN 74 - H ASN 80 OK 24 71 - 34 - 3.0/5422=9, 5991=5...(10) HB2 ASN 42 - H ASN 80 lone 10 100 - 9 - 6023/5.3=2, 6024/5.3=1...(4) HB3 ASN 42 - H ASN 80 lone 10 100 - 9 - 6023/5.3=2, 6024/5.3=1...(4) Peak 5420 from nnoeabs.peaks (1.98, 8.28, 119.06 ppm; 5.29 A): 2 out of 11 assignments used, quality = 1.00: HB2 GLN 79 + H ASN 80 OK 97 97 - 100 - 4.2=100 HB3 GLN 79 + H ASN 80 OK 87 87 - 100 - 4.2=100 HB2 LEU 64 - H ASN 80 lone 5 100 - 5 - 824/4.6=1 HG2 PRO 14 - H ASN 80 lone 5 99 - 5 - HG3 PRO 14 - H ASN 80 lone 5 99 - 5 - HG LEU 43 - H ASN 80 lone 4 96 - 5 - HB2 ARG 70 - H ASN 80 lone 3 78 - 4 - HB3 ARG 70 - H ASN 80 lone 3 78 - 4 - HG LEU 57 - H ASN 80 lone 3 78 - 4 - QE MET 31 - H ASN 80 lone 3 95 - 3 - HB3 MET 11 - H ASN 80 lone 1 57 - 2 - Peak 5421 from nnoeabs.peaks (4.20, 8.28, 119.06 ppm; 4.13 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 79 + H ASN 80 OK 100 100 - 100 - 3.6=100 HA ALA 78 - H ASN 80 OK 21 98 - 21 - 5882/4.7=6, 3197/4.2=3...(9) HA ARG 84 - H ASN 80 lone 7 95 - 7 - 5882/4.7=2, 4.7/4015=2 HA ARG 82 - H ASN 80 lone 7 81 - 8 - 6050/4.7=2, 823/4.6=1...(4) HA LYS 73 - H ASN 80 lone 4 87 - 5 - 5882/4.7=1 HB THR 37 - H ASN 80 lone 1 68 - 2 - HA ILE 89 - H ASN 80 lone 1 63 - 2 - Peak 5422 from nnoeabs.peaks (4.61, 8.28, 119.06 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.98: * HA ASN 80 + H ASN 80 OK 98 98 - 100 - 3.0=100 HA ASN 74 - H ASN 80 OK 34 100 - 34 - 5423/3.8=9, 3.0/5419=5...(12) HA PRO 36 - H ASN 80 lone 7 99 - 7 - ~1780=2, 5423/3.8=1, ~1787=1 Peak 5425 from nnoeabs.peaks (8.28, 8.28, 119.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 80 + H ASN 80 OK 100 100 - 100 Peak 5431 from nnoeabs.peaks (4.18, 7.96, 120.67 ppm; 4.79 A): 5 out of 9 assignments used, quality = 0.90: HA LYS 73 + H VAL 76 OK 63 100 - 63 - 16037/4.0=31, 3.0/340=6...(17) HA GLN 79 + H VAL 76 OK 46 87 - 53 - ~16044=20, ~6011=6...(14) HA LEU 29 + H VAL 76 OK 26 85 - 30 - 3.6/79=3, 3.0/908=3...(12) HA ARG 84 + H VAL 76 OK 19 100 - 19 - 3.0/5411=2, 3.6/5410=2...(7) HA ALA 78 + H VAL 76 OK 19 65 - 29 - 3.6/5411=5, 3990/4.5=4...(10) HA ALA 53 - H VAL 76 poor 9 90 - 10 - ~4962=2, ~4549=1 HA ILE 89 - H VAL 76 lone 8 97 - 8 - 3599/4.6=1, 3.0/340=1 HB THR 15 - H VAL 76 lone 7 96 - 7 - HA ARG 82 - H VAL 76 lone 7 100 - 7 - Peak 5433 from nnoeabs.peaks (7.96, 8.23, 126.87 ppm; 3.90 A): 4 out of 8 assignments used, quality = 0.91: H VAL 76 + H ALA 77 OK 84 100 - 84 - 4.5=63, 3.0/349=22...(13) H ARG 69 + H ALA 77 OK 20 87 - 24 - 940/4.5=5, 5379/3.6=4...(9) H LEU 29 + H ALA 77 OK 18 95 - 18 - 76=5, 3156/3.6=3...(7) H ARG 70 + H ALA 77 OK 15 96 - 16 - 3156/3.6=4, 295/4.5=3...(6) H ALA 30 - H ALA 77 poor 9 87 - 10 - 5538=2, 4.6/76=2...(4) H LYS 32 - H ALA 77 lone 7 73 - 10 - 3.6/6117=3, 3156/3.6=2 H GLY 72 - H ALA 77 lone 6 68 - 9 - 783/3.6=2, 3.0/349=2...(4) H ALA 63 - H ALA 77 lone 5 95 - 5 - 3156/3.6=1 Peak 5439 from nnoeabs.peaks (7.47, 7.47, 112.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 79 + HE21 GLN 79 OK 100 100 - 100 Peak 5440 from nnoeabs.peaks (7.47, 6.86, 112.19 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HE21 GLN 79 + HE22 GLN 79 OK 100 100 - 100 - 1.7=100 HE21 GLN 79 - HD21 ASN 49 OK 18 99 - 18 - 5267=8, ~440=3, ~445=3...(5) HE21 GLN 61 - HE22 GLN 79 lone 1 87 - 1 - HE21 GLN 61 - HD21 ASN 49 lone 0 85 - 0 - Peak 5441 from nnoeabs.peaks (6.86, 6.86, 112.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 79 + HE22 GLN 79 OK 100 100 - 100 HD21 ASN 49 + HD21 ASN 49 OK 99 99 - 100 Peak 5442 from nnoeabs.peaks (2.33, 7.47, 112.19 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 79 + HE21 GLN 79 OK 100 100 - 100 - 3.5=100 HG3 GLN 79 + HE21 GLN 79 OK 100 100 - 100 - 3.5=100 HG3 GLU 59 - HE21 GLN 79 lone 3 100 - 3 - HG3 GLU 25 - HE21 GLN 79 lone 1 71 - 2 - Peak 5443 from nnoeabs.peaks (2.32, 6.86, 112.19 ppm; 4.64 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLN 79 + HE22 GLN 79 OK 100 100 - 100 - 3.5=100 HG3 GLN 79 + HE22 GLN 79 OK 100 100 - 100 - 3.5=100 HG2 GLN 79 - HD21 ASN 49 OK 35 99 - 35 - 3.5/5267=7, ~440=6...(9) HG3 GLN 79 - HD21 ASN 49 OK 35 99 - 35 - 3.5/5267=7, ~440=6...(9) HG3 GLU 59 - HE22 GLN 79 lone 4 100 - 4 - HG3 GLU 25 - HE22 GLN 79 lone 2 81 - 2 - HG3 GLU 59 - HD21 ASN 49 lone 1 99 - 1 - HG3 GLU 25 - HD21 ASN 49 lone 1 79 - 1 - Peak 5449 from nnoeabs.peaks (4.64, 8.05, 120.90 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.95: * HA ASN 80 + H TYR 81 OK 95 95 - 100 - 3.6=100 HA ASN 74 - H TYR 81 lone 7 83 - 9 - 5423/4.4=4, 6052/4.4=2 HA PRO 36 - H TYR 81 lone 1 60 - 2 - Peak 5450 from nnoeabs.peaks (4.46, 8.05, 120.90 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 81 + H TYR 81 OK 100 100 - 100 - 3.0=100 HA SER 22 - H TYR 81 OK 29 90 - 33 - 5452/3.9=6, 5451/3.9=6...(12) HA PRO 14 - H TYR 81 OK 11 98 - 11 - 5452/3.9=2, 5451/3.9=2...(7) HA ASP 67 - H TYR 81 lone 4 95 - 4 - HA ASP 24 - H TYR 81 lone 3 76 - 4 - ~5501=1 HA ASP 46 - H TYR 81 lone 1 60 - 2 - Peak 5453 from nnoeabs.peaks (2.98, 8.05, 120.90 ppm; 3.91 A): 1 out of 11 assignments used, quality = 1.00: * HB3 TYR 81 + H TYR 81 OK 100 100 - 100 - 3.9=100 HE3 LYS 39 - H TYR 81 lone 4 100 - 4 - 6007/4.5=1 HE2 LYS 39 - H TYR 81 lone 4 100 - 4 - 6007/4.5=1 HE2 LYS 75 - H TYR 81 lone 2 87 - 2 - HE3 LYS 75 - H TYR 81 lone 2 85 - 2 - HE2 LYS 73 - H TYR 81 lone 2 68 - 3 - HE3 LYS 73 - H TYR 81 lone 2 65 - 3 - HE2 LYS 13 - H TYR 81 lone 2 96 - 2 - HE3 LYS 32 - H TYR 81 lone 2 71 - 2 - HE3 LYS 13 - H TYR 81 lone 2 95 - 2 - HE2 LYS 32 - H TYR 81 lone 1 68 - 2 - Peak 5468 from nnoeabs.peaks (8.05, 8.05, 120.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 81 + H TYR 81 OK 100 100 - 100 Peak 5469 from nnoeabs.peaks (7.07, 8.05, 120.90 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.99: QD TYR 81 + H TYR 81 OK 99 99 - 100 - 4.5=100 QD PHE 48 - H TYR 81 OK 28 100 - 28 - 5463/3.9=8, 5462/3.9=8...(5) Peak 5470 from nnoeabs.peaks (2.71, 8.05, 120.90 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.98: HB2 ASN 80 + H TYR 81 OK 98 98 - 100 - 4.4=100 HD2 PRO 34 - H TYR 81 OK 15 97 - 15 - 5424/3.6=4, 5877/4.4=3...(6) HB2 ASP 46 - H TYR 81 lone 4 95 - 5 - 5418/4.7=1, 5424/3.6=1 Peak 5472 from nnoeabs.peaks (8.04, 8.04, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 82 + H ARG 82 OK 100 100 - 100 Peak 5473 from nnoeabs.peaks (4.18, 8.04, 122.15 ppm; 4.05 A): 1 out of 9 assignments used, quality = 1.00: * HA ARG 82 + H ARG 82 OK 100 100 - 100 - 3.0=100 HA GLN 79 - H ARG 82 OK 23 83 - 28 - 5868/4.3=7, 6050=7...(7) HA LYS 73 - H ARG 82 OK 19 100 - 19 - 3992=3, 4675/4.3=2...(5) HA ARG 84 - H ARG 82 OK 18 99 - 18 - 3992=3, 3235/4.0=2...(7) HA ALA 78 - H ARG 82 OK 17 60 - 28 - 15862/4.1=12, 6048/4.3=8...(4) HA LEU 29 - H ARG 82 OK 10 89 - 12 - 3235/4.0=2, 3.0/5477=2...(4) HA ILE 89 - H ARG 82 lone 5 99 - 5 - HB THR 15 - H ARG 82 lone 4 97 - 4 - HA ALA 53 - H ARG 82 lone 3 93 - 4 - Peak 5474 from nnoeabs.peaks (4.47, 8.04, 122.15 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.94: * HA TYR 81 + H ARG 82 OK 93 99 - 94 - 3.6=93, 4674/4.3=12...(6) HA SER 22 + H ARG 82 OK 15 83 - 18 - 5452/4.1=4, 5451/4.1=4...(5) HA PRO 14 - H ARG 82 lone 5 95 - 5 - 5452/4.1=1, 5451/4.1=1...(4) HA ASP 67 - H ARG 82 lone 3 98 - 2 - HA ASP 24 - H ARG 82 lone 2 85 - 2 - HA ASP 46 - H ARG 82 lone 1 71 - 1 - Peak 5475 from nnoeabs.peaks (3.00, 8.04, 122.15 ppm; 4.44 A): 3 out of 5 assignments used, quality = 0.83: HB3 TYR 81 + H ARG 82 OK 71 71 - 100 - 4.1=100 HD2 ARG 54 + H ARG 82 OK 24 68 - 35 - 1.8/5914=7, 4676/4.3=6...(9) HD3 ARG 54 + H ARG 82 OK 22 65 - 34 - 1.8/5914=7, 4676/4.3=6...(9) HE3 LYS 39 - H ARG 82 lone 6 71 - 9 - 3.6/5478=3, 6007/4.3=1 HE2 LYS 39 - H ARG 82 lone 6 65 - 9 - 3.6/5478=3, 6007/4.3=1 Peak 5476 from nnoeabs.peaks (1.76, 8.04, 122.15 ppm; 4.17 A): 1 out of 17 assignments used, quality = 1.00: * HB3 ARG 82 + H ARG 82 OK 100 100 - 100 - 4.0=100 HB2 ARG 54 - H ARG 82 OK 34 100 - 34 - 1.8/5478=7, 4683/4.3=6...(9) HB2 LYS 83 - H ARG 82 OK 16 90 - 18 - 361/4.6=7, 1.8/5477=3...(5) HB3 LYS 73 - H ARG 82 OK 14 96 - 15 - 3.0/5473=3, 6051/3.0=2...(5) HB2 PRO 34 - H ARG 82 OK 12 93 - 12 - 6123=2, 4683/4.3=2...(4) HB2 LYS 32 - H ARG 82 OK 11 99 - 11 - 6123=1, 1.8/6123=1, 6051/3.0=1 HB3 LYS 32 - H ARG 82 OK 11 99 - 11 - 6123=1, 1.8/6123=1, 6051/3.0=1 HB3 LYS 39 - H ARG 82 OK 10 89 - 12 - 2.9/5478=3, 4683/4.3=1...(4) HG2 PRO 34 - H ARG 82 OK 10 99 - 10 - 2.3/6123=2, 4683/4.3=2 HB3 LYS 75 - H ARG 82 lone 4 78 - 6 - 3287/4.6=1 HB2 LYS 13 - H ARG 82 lone 4 73 - 5 - HG3 ARG 71 - H ARG 82 lone 3 93 - 3 - HB ILE 33 - H ARG 82 lone 3 100 - 3 - HB2 LEU 62 - H ARG 82 lone 3 85 - 3 - HB2 LEU 57 - H ARG 82 lone 3 100 - 3 - HB3 ARG 17 - H ARG 82 lone 2 78 - 2 - HG3 ARG 26 - H ARG 82 lone 2 89 - 2 - Peak 5477 from nnoeabs.peaks (1.69, 8.04, 122.15 ppm; 3.91 A): 1 out of 12 assignments used, quality = 0.95: * HB2 ARG 82 + H ARG 82 OK 95 100 - 95 - 4.0=93, 2.9/5478=15...(5) HB3 LEU 64 - H ARG 82 OK 13 100 - 13 - 3.0/5478=3, 2630/5.0=2...(5) HB3 LYS 83 - H ARG 82 poor 10 76 - 13 - 833/4.6=4, 1.8/5476=2...(4) HB2 LEU 29 - H ARG 82 lone 7 78 - 9 - 1484/3.0=2, 3.0/5473=1 HG LEU 29 - H ARG 82 lone 7 83 - 9 - 1498/3.0=1, 3.7/5473=1 HG2 ARG 23 - H ARG 82 lone 7 73 - 9 - 1.8/5478=3, ~5885=1, 3229/3.0=1 HB3 LYS 85 - H ARG 82 lone 4 63 - 7 - 3297/4.6=3 HB3 LYS 13 - H ARG 82 lone 4 95 - 4 - HG2 ARG 70 - H ARG 82 lone 3 93 - 4 - 5052/3.6=1 HG3 ARG 66 - H ARG 82 lone 2 100 - 2 - HD3 LYS 13 - H ARG 82 lone 1 60 - 2 - HD2 LYS 13 - H ARG 82 lone 1 60 - 2 - Peak 5478 from nnoeabs.peaks (1.53, 8.04, 122.15 ppm; 4.14 A): 5 out of 5 assignments used, quality = 0.89: * HG2 ARG 82 + H ARG 82 OK 78 100 - 78 - 5.0=57, 2.9/5477=20...(9) HB3 ARG 54 + H ARG 82 OK 28 81 - 34 - 4684/4.3=11, 1.8/5476=5...(9) HG LEU 64 + H ARG 82 OK 14 95 - 15 - 5480/4.0=4, 5885/3.0=3...(5) HG2 LYS 39 + H ARG 82 OK 12 81 - 14 - 4684/4.3=3, 5480/4.0=1...(6) HG3 ARG 23 + H ARG 82 OK 10 93 - 11 - 5480/4.0=3, 5885/3.0=2...(4) Peak 5492 from nnoeabs.peaks (3.63, 7.99, 106.73 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.80: * HA ARG 69 + H GLY 72 OK 67 100 - 67 - 2784=12, 5837/4.7=10...(24) HA ILE 40 + H GLY 72 OK 24 100 - 24 - 3.2/4326=5, 5837/4.7=4...(7) HA VAL 65 + H GLY 72 OK 20 100 - 20 - 5837/4.7=4, 4710=3...(6) HD3 PRO 14 - H GLY 72 lone 9 96 - 10 - 5837/4.7=2, 2.3/5842=1 Peak 5502 from nnoeabs.peaks (8.34, 8.49, 122.99 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: H ASP 24 + H ARG 23 OK 100 100 - 100 - 4.6=100 H GLU 19 - H ARG 23 OK 17 96 - 17 - 5320/4.4=5, 5319/4.4=4...(4) H LYS 83 - H ARG 23 OK 14 78 - 17 - 5320/4.4=4, 5319/4.4=4...(5) H ALA 16 - H ARG 23 OK 11 87 - 12 - 5501/3.6=3, 5320/4.4=3 Peak 5504 from nnoeabs.peaks (1.67, 8.34, 120.23 ppm; 5.06 A): 1 out of 11 assignments used, quality = 1.00: HG2 ARG 23 + H ASP 24 OK 100 100 - 100 - 4.9=100 HB3 GLN 61 - H ASP 24 OK 20 96 - 21 - 3.0/518=4, 2544/4.0=4...(8) HG3 ARG 66 - H ASP 24 poor 8 73 - 11 - 3.0/5300=1, 3.0/5300=1...(4) HB3 LEU 64 - H ASP 24 poor 8 68 - 12 - 2630/4.9=4, 1264/3.6=2...(5) HD2 LYS 75 - H ASP 24 lone 6 99 - 6 - 1264/3.6=1, 511/4.6=1 HD3 LYS 75 - H ASP 24 lone 6 99 - 6 - 1264/3.6=1, 511/4.6=1 HB2 ARG 82 - H ASP 24 lone 6 76 - 8 - 5480/4.9=2, 511/4.6=1 HD3 LYS 13 - H ASP 24 lone 5 99 - 5 - HD2 LYS 13 - H ASP 24 lone 5 99 - 5 - HG LEU 29 - H ASP 24 lone 4 100 - 4 - HB3 LYS 13 - H ASP 24 lone 4 97 - 4 - Peak 5509 from nnoeabs.peaks (8.50, 8.34, 120.23 ppm; 5.47 A): 1 out of 2 assignments used, quality = 1.00: H ARG 23 + H ASP 24 OK 100 100 - 100 - 4.6=100 H SER 60 - H ASP 24 lone 6 97 - 6 - 1260/3.6=1 Peak 5511 from nnoeabs.peaks (1.35, 8.20, 121.35 ppm; 5.37 A): 3 out of 11 assignments used, quality = 0.74: QB ALA 28 + H GLU 25 OK 64 97 - 67 - 4181/2.9=15, 5512/5.0=10...(17) QB ALA 16 + H GLU 25 OK 17 97 - 17 - 2.9/50=5, 5.0/1128=4...(4) HB2 LEU 52 + H GLU 25 OK 11 93 - 12 - 5512/5.0=2, 4161/2.9=1 HB2 LEU 51 - H GLU 25 poor 10 63 - 15 - 3.0/5084=5, 4161/2.9=2...(4) QB ALA 77 - H GLU 25 poor 8 68 - 11 - 3.6/904=2, 5512/5.0=2 QB ALA 20 - H GLU 25 poor 6 63 - 10 - 4.5/3999=2, 5514/5.0=2 HG3 LYS 32 - H GLU 25 lone 6 81 - 7 - HG2 LYS 83 - H GLU 25 lone 6 85 - 7 - 4.6/50=1 HG3 ARG 69 - H GLU 25 lone 4 65 - 6 - QB ALA 12 - H GLU 25 lone 4 89 - 5 - HG2 LYS 85 - H GLU 25 lone 4 63 - 6 - Peak 5516 from nnoeabs.peaks (0.87, 8.13, 119.29 ppm; 5.34 A): 5 out of 16 assignments used, quality = 0.83: QD1 LEU 29 + H ARG 26 OK 44 99 - 45 - 5367=8, ~5348=4...(17) QD1 LEU 62 + H ARG 26 OK 42 100 - 43 - 2.1/5962=12, 5367=7...(16) QD2 LEU 29 + H ARG 26 OK 25 60 - 42 - 2.1/5367=8, ~5348=4...(16) QD1 LEU 86 + H ARG 26 OK 19 92 - 21 - 5367=3, 4.9/5899=2...(7) QD2 LEU 64 + H ARG 26 OK 11 60 - 19 - 5015/4.6=2, 4805/3.0=2...(7) QD1 LEU 62 - H ASN 74 poor 7 58 - 12 - 2.1/5962=5, 1481/3.6=2...(4) QD1 LEU 29 - H ASN 74 lone 6 56 - 10 - 1481/3.6=3, 3767/4.5=2, 5367=1 QG2 VAL 90 - H ARG 26 lone 5 68 - 7 - ~3645=1 QG1 VAL 90 - H ARG 26 lone 5 65 - 7 - ~3645=1 HG LEU 51 - H ARG 26 lone 4 85 - 5 - QD1 LEU 86 - H ASN 74 lone 3 48 - 7 - 1481/3.6=1 QD2 LEU 29 - H ASN 74 lone 2 28 - 8 - 3768/4.5=2, 1512/3.6=2 HG LEU 51 - H ASN 74 lone 2 43 - 5 - 1481/3.6=1 QG2 VAL 90 - H ASN 74 lone 1 33 - 4 - QG1 VAL 90 - H ASN 74 lone 1 31 - 4 - QD2 LEU 64 - H ASN 74 lone 1 28 - 4 - Peak 5519 from nnoeabs.peaks (1.44, 8.18, 120.59 ppm; 5.26 A): 4 out of 8 assignments used, quality = 0.86: QB ALA 30 + H ARG 27 OK 66 100 - 67 - 5388/3.0=25, 5539=22...(10) HG13 ILE 89 + H ARG 27 OK 47 100 - 47 - 3.2/5521=12, 1.8/3618=9...(10) HB3 LEU 43 + H ARG 27 OK 14 100 - 14 - 3.1/5521=4, 4807/3.0=2, 1.8/65=2 HG12 ILE 33 + H ARG 27 OK 10 100 - 11 - 3625=2, 3.0/65=1, 4807/3.0=1 HB3 LEU 57 - H ARG 27 poor 9 68 - 13 - 1.8/65=2, 3.8/5380=1...(6) HG3 LYS 85 - H ARG 27 lone 7 97 - 7 - 4.8/5380=1 HG3 LYS 13 - H ARG 27 lone 6 93 - 7 - 4807/3.0=1 HG2 LYS 13 - H ARG 27 lone 5 85 - 6 - Peak 5520 from nnoeabs.peaks (1.34, 8.18, 120.59 ppm; 4.87 A): 3 out of 7 assignments used, quality = 0.66: QB ALA 28 + H ARG 27 OK 55 100 - 55 - ~69=13, 4181/3.0=12...(10) HG3 LYS 32 + H ARG 27 OK 14 93 - 15 - 543/4.6=4, 2.9/65=1...(7) HB2 LEU 52 + H ARG 27 OK 14 99 - 14 - 543/4.6=3, 4543/3.0=2...(4) QB ALA 16 - H ARG 27 lone 5 89 - 5 - 5.0/5485=2 HB2 LEU 51 - H ARG 27 lone 5 81 - 6 - 543/4.6=1 QB ALA 12 - H ARG 27 lone 4 97 - 4 - 986/4.6=1 HG2 LYS 83 - H ARG 27 lone 1 68 - 2 - Peak 5521 from nnoeabs.peaks (0.84, 8.18, 120.59 ppm; 5.16 A): 5 out of 5 assignments used, quality = 0.84: QG2 ILE 89 + H ARG 27 OK 51 100 - 51 - 3.2/5519=9, 2.1/3604=8...(17) QD2 LEU 64 + H ARG 27 OK 39 100 - 39 - 5015/4.6=10, 5162/5520=4...(12) QD2 LEU 29 + H ARG 27 OK 25 100 - 25 - 5349/3.6=4, 4171/4.6=4...(7) QD1 LEU 43 + H ARG 27 OK 17 96 - 18 - 3.1/5519=3, 4171/4.6=2...(4) QD2 LEU 86 + H ARG 27 OK 16 98 - 16 - 4171/4.6=2, 5349/3.6=2 Peak 5522 from nnoeabs.peaks (2.05, 8.18, 120.59 ppm; 5.48 A): 3 out of 15 assignments used, quality = 0.85: HB2 GLU 25 + H ARG 27 OK 58 100 - 58 - 4.7/5380=24, 3.0/61=9...(21) HB3 GLU 25 + H ARG 27 OK 58 100 - 58 - 4.7/5380=24, 3.0/61=9...(21) HB3 MET 31 + H ARG 27 OK 17 90 - 19 - 5527/4.6=5, ~6118=5...(4) HB2 GLU 87 - H ARG 27 poor 10 76 - 13 - 4.6/5380=6, 3676/3.0=1 HB3 GLN 91 - H ARG 27 lone 8 93 - 8 - 3.0/534=1, 56/4.6=1 HB3 GLU 19 - H ARG 27 lone 8 90 - 8 - 56/4.6=1, 3.0/5485=1 HB VAL 76 - H ARG 27 lone 7 97 - 7 - 3985/4.6=3 HB3 GLU 50 - H ARG 27 lone 6 93 - 7 - 5527/4.6=2 HB2 GLU 50 - H ARG 27 lone 6 93 - 7 - 5527/4.6=2 HB3 PRO 56 - H ARG 27 lone 6 76 - 7 - 4.0/5380=1 HG2 PRO 56 - H ARG 27 lone 5 89 - 6 - HG2 PRO 44 - H ARG 27 lone 4 99 - 4 - HB VAL 45 - H ARG 27 lone 3 97 - 3 - HD2 ARG 69 - H ARG 27 lone 2 73 - 3 - HD3 ARG 69 - H ARG 27 lone 2 73 - 3 - Peak 5525 from nnoeabs.peaks (7.71, 7.95, 119.22 ppm; 4.93 A): 4 out of 4 assignments used, quality = 0.86: H MET 31 + H LEU 29 OK 72 98 - 73 - 86/4.6=19, 910=13...(14) H ASN 42 + H LEU 29 OK 25 100 - 25 - 5635/4.0=5, 4182/3.6=5...(5) H GLU 50 + H LEU 29 OK 22 97 - 22 - 4838/3.6=4, 4182/3.6=4...(7) H TYR 55 + H LEU 29 OK 13 68 - 19 - 4582/3.0=4, 4182/3.6=3...(5) Peak 5527 from nnoeabs.peaks (2.05, 8.21, 122.47 ppm; 5.02 A): 3 out of 30 assignments used, quality = 0.95: HB3 GLU 25 + H ALA 28 OK 65 100 - 66 - 3.0/5347=10, ~4181=8...(20) HB2 GLU 25 + H ALA 28 OK 65 100 - 66 - 3.0/5347=10, ~4181=8...(20) HB3 MET 31 + H ALA 28 OK 55 89 - 62 - 3.0/6117=15, ~5530=14...(13) HB VAL 76 - H ALA 28 OK 30 98 - 30 - 4.0/5411=6, 3.0/3984=5...(11) HB3 GLU 50 - H ALA 28 OK 18 95 - 19 - 5529/3.0=2, 5531/2.9=2...(7) HB2 GLU 50 - H ALA 28 OK 18 95 - 19 - 5529/3.0=2, 5531/2.9=2...(7) HB VAL 76 - H ARG 84 OK 10 82 - 13 - 4.0/907=2, 5432/3.0=2...(4) HB3 GLU 19 - H ALA 28 lone 8 92 - 9 - HB2 GLU 25 - H ARG 84 lone 8 86 - 9 - 3.0/5347=1 HB3 GLU 25 - H ARG 84 lone 8 86 - 9 - 3.0/5347=1 HD3 ARG 69 - H ALA 28 lone 7 76 - 9 - ~4172=1 HD2 ARG 69 - H ALA 28 lone 7 76 - 9 - ~4172=1 HG2 PRO 44 - H ALA 28 lone 5 99 - 5 - HB3 GLN 91 - H ALA 28 lone 5 95 - 6 - HB3 GLU 19 - H ARG 84 lone 5 74 - 7 - 1218/4.6=2, 1209/3.6=2 HB2 GLU 87 - H ALA 28 lone 4 78 - 5 - 5522/4.6=1, 3676/3.6=1 HB3 MET 31 - H ARG 84 lone 3 71 - 5 - HG2 PRO 56 - H ALA 28 lone 3 90 - 3 - HB VAL 45 - H ALA 28 lone 3 96 - 3 - HD3 ARG 69 - H ARG 84 lone 3 59 - 5 - HD2 ARG 69 - H ARG 84 lone 3 59 - 5 - HB3 PRO 56 - H ALA 28 lone 3 78 - 3 - HB2 GLU 50 - H ARG 84 lone 2 77 - 3 - HB3 GLU 50 - H ARG 84 lone 2 77 - 3 - HB2 GLU 87 - H ARG 84 lone 2 61 - 3 - HG2 PRO 44 - H ARG 84 lone 2 84 - 2 - HB3 GLN 91 - H ARG 84 lone 2 77 - 2 - HG2 PRO 56 - H ARG 84 lone 1 72 - 2 - HB VAL 45 - H ARG 84 lone 1 78 - 2 - HB3 PRO 56 - H ARG 84 lone 1 61 - 2 - Peak 5528 from nnoeabs.peaks (3.17, 8.21, 122.47 ppm; 5.49 A): 5 out of 28 assignments used, quality = 0.95: HD2 ARG 27 + H ALA 28 OK 51 100 - 51 - 5.4/69=19, 3.5/71=11...(8) HD3 ARG 27 + H ALA 28 OK 51 100 - 51 - 5.4/69=19, 3.5/71=11...(8) HD3 ARG 84 + H ARG 84 OK 48 57 - 85 - 6.2=70, 3.5/843=9...(15) HD2 ARG 84 + H ARG 84 OK 44 52 - 85 - 6.2=70, 3.5/843=9...(15) HD2 ARG 26 + H ALA 28 OK 33 100 - 33 - 6.1/54=5, 5382/4.6=4...(11) HD3 ARG 26 - H ALA 28 OK 33 100 - 33 - 6.1/54=5, 5382/4.6=4...(11) HD2 ARG 23 - H ALA 28 OK 17 99 - 17 - 1421/3.6=2, 5382/4.6=2...(7) HD3 ARG 23 - H ALA 28 OK 17 99 - 17 - 1421/3.6=2, 5382/4.6=2...(7) HD3 ARG 66 - H ALA 28 OK 16 93 - 18 - 3.0/3204=2, ~4837=2...(6) HD2 ARG 66 - H ALA 28 OK 16 90 - 18 - 3.0/3204=2, ~4837=2...(6) HD3 ARG 71 - H ALA 28 OK 13 65 - 19 - 4.7/5347=3, 3.5/71=2...(7) HD3 ARG 17 - H ARG 84 OK 12 77 - 16 - 3390/4.0=1, 3.0/72=1...(5) HD2 ARG 17 - H ARG 84 OK 12 77 - 16 - 3390/4.0=1, 3.0/72=1...(5) HD2 ARG 17 - H ALA 28 OK 10 95 - 11 - 5382/4.6=2, 1420/3.6=1...(4) HD3 ARG 17 - H ALA 28 OK 10 95 - 11 - 5382/4.6=2, 1420/3.6=1...(4) HD2 ARG 26 - H ARG 84 lone 8 86 - 9 - HD3 ARG 26 - H ARG 84 lone 8 86 - 9 - HD2 ARG 27 - H ARG 84 lone 7 85 - 8 - 5.4/69=1 HD3 ARG 27 - H ARG 84 lone 7 85 - 8 - 5.4/69=1 HD3 ARG 71 - H ARG 84 poor 7 50 - 13 - 1.8/6148=1, 4.7/5347=1 HD2 ARG 23 - H ARG 84 lone 6 83 - 8 - HD3 ARG 23 - H ARG 84 lone 6 83 - 8 - HD3 ARG 84 - H ALA 28 lone 5 73 - 7 - HD2 ARG 82 - H ARG 84 lone 5 54 - 9 - 4.9/5445=2, ~5885=1, ~5481=1 HD2 ARG 84 - H ALA 28 lone 5 68 - 7 - HD3 ARG 66 - H ARG 84 lone 3 76 - 4 - HD2 ARG 66 - H ARG 84 lone 3 72 - 4 - HD2 ARG 82 - H ALA 28 lone 3 71 - 4 - Peak 5534 from nnoeabs.peaks (1.46, 7.95, 119.22 ppm; 4.26 A): 10 out of 10 assignments used, quality = 0.94: QB ALA 30 + H LEU 29 OK 62 95 - 65 - 2.9/908=21, 3.6/5525=12...(17) HB3 LEU 52 + H LEU 29 OK 26 92 - 29 - 1.8/78=6, 4175/3.6=4...(10) HG13 ILE 89 + H LEU 29 OK 25 85 - 30 - 3.2/550=5, ~3619=3...(12) QB ALA 63 + H LEU 29 OK 24 63 - 38 - 2.9/908=9, 2.1/4184=7...(14) HB3 LEU 43 + H LEU 29 OK 20 81 - 24 - 1.8/546=4, 3.1/550=4...(8) HG12 ILE 33 + H LEU 29 OK 16 93 - 18 - 4175/3.6=7, 3626/3.0=2...(4) HG2 LYS 73 + H LEU 29 OK 15 83 - 18 - 3.8/545=3, 4.9/908=2...(5) HG3 LYS 13 + H LEU 29 OK 15 100 - 15 - 3.0/548=2, 2.9/548=2...(4) HB3 LEU 57 + H LEU 29 OK 14 97 - 14 - 4175/3.6=5, 4983/4.0=1 HG3 LYS 85 + H LEU 29 OK 12 100 - 11 - 2.9/546=2 Peak 5535 from nnoeabs.peaks (1.33, 7.98, 123.05 ppm; 4.74 A): 4 out of 8 assignments used, quality = 0.87: QB ALA 28 + H ALA 30 OK 63 100 - 64 - 3.6/908=21, 2.9/5538=13...(13) HB2 LEU 52 + H ALA 30 OK 36 100 - 36 - 78/4.6=4, 4543/3.0=4...(12) HG3 LYS 32 + H ALA 30 OK 26 100 - 26 - 4.9/79=6, 1594/4.6=5...(5) HB2 LEU 51 + H ALA 30 OK 22 96 - 23 - 5086/4.5=4, 4183/3.6=3...(7) QG2 THR 58 - H ALA 30 poor 10 81 - 12 - 5086/4.5=5, ~4190=3, 4623/5759=2 HG2 ARG 54 - H ALA 30 poor 7 65 - 10 - 4.8/909=2, 5086/4.5=2, 1.8/82=1 QB ALA 12 - H ALA 30 lone 5 100 - 5 - QB ALA 16 - H ALA 30 lone 2 68 - 3 - Peak 5538 from nnoeabs.peaks (8.21, 7.98, 123.05 ppm; 4.79 A): 4 out of 8 assignments used, quality = 0.77: H ALA 28 + H ALA 30 OK 55 100 - 55 - 4.6/908=17, 3.6/5387=13...(11) H GLU 25 + H ALA 30 OK 26 97 - 27 - 2.9/5387=9, ~5388=4...(8) H ARG 84 + H ALA 30 OK 22 95 - 23 - 76/4.6=5, 841/3.6=3...(9) H ALA 77 + H ALA 30 OK 14 93 - 15 - 76/4.6=3, 3.6/4841=3...(4) H THR 15 - H ALA 30 lone 9 99 - 9 - 478/3.6=3, 76/4.6=2, 4.0/4194=1 H SER 22 - H ALA 30 lone 5 100 - 5 - 76/4.6=1 H GLN 79 - H ALA 30 lone 3 100 - 3 - H ALA 12 - H ALA 30 lone 3 65 - 4 - Peak 5541 from nnoeabs.peaks (1.45, 7.94, 118.73 ppm; 4.62 A): 4 out of 9 assignments used, quality = 0.93: QB ALA 30 + H LYS 32 OK 74 100 - 74 - 4190/3.6=22, 3.6/89=20...(12) HG12 ILE 33 + H LYS 32 OK 53 100 - 53 - 1665/4.6=17, 5543/3.0=8...(15) HB3 LEU 57 + H LYS 32 OK 29 83 - 35 - 4601/4.9=8, 2446/4.7=5...(10) HB3 LEU 43 + H LYS 32 OK 24 97 - 25 - 4197/4.9=5, 4195/4.7=5...(7) HG13 ILE 89 - H LYS 32 OK 23 98 - 23 - 1665/4.6=6, 4195/4.7=3...(8) HB3 LEU 52 - H LYS 32 OK 16 71 - 22 - 1.8/565=4, 5543/3.0=3...(8) HG3 LYS 13 - H LYS 32 OK 14 99 - 14 - 5543/3.0=2, 574/4.6=1, 88/4.6=1 HG2 LYS 13 - H LYS 32 poor 9 71 - 12 - ~5543=1, 5543/3.0=1, 574/4.6=1 HG3 LYS 85 - H LYS 32 lone 8 100 - 8 - 5543/3.0=1 Peak 5542 from nnoeabs.peaks (1.62, 7.94, 118.73 ppm; 4.88 A): 2 out of 17 assignments used, quality = 0.99: HD3 LYS 32 + H LYS 32 OK 90 100 - 90 - 6.1=51, 3.0/564=30...(17) HD2 LYS 32 + H LYS 32 OK 89 99 - 90 - 6.1=51, 3.0/564=30...(17) HG3 ARG 70 - H LYS 32 OK 31 100 - 32 - 1.8/2864=5, 4.0/2840=4...(8) HD3 LYS 73 - H LYS 32 OK 28 99 - 28 - 1561/3.0=3, 1618/4.9=3...(13) HD2 LYS 73 - H LYS 32 OK 28 99 - 28 - 1561/3.0=3, 1618/4.9=3...(13) HB3 LEU 51 - H LYS 32 OK 18 87 - 21 - 1.8/565=4, ~1559=3...(6) HG2 ARG 71 - H LYS 32 OK 15 100 - 15 - 5.0/303=3, 1561/3.0=1...(5) HB2 LEU 86 - H LYS 32 lone 8 100 - 8 - 3.1/1511=1 HG2 ARG 26 - H LYS 32 lone 8 100 - 7 - HG LEU 86 - H LYS 32 lone 7 85 - 9 - 2.1/1511=2 HG3 ARG 17 - H LYS 32 lone 7 100 - 7 - HG2 ARG 17 - H LYS 32 lone 7 100 - 7 - HG3 ARG 84 - H LYS 32 lone 6 73 - 9 - HG2 ARG 84 - H LYS 32 lone 6 73 - 9 - HG2 ARG 27 - H LYS 32 lone 5 93 - 6 - HG3 ARG 27 - H LYS 32 lone 5 92 - 6 - HB3 LEU 62 - H LYS 32 lone 5 60 - 8 - Peak 5544 from nnoeabs.peaks (7.70, 7.91, 120.59 ppm; 5.04 A): 5 out of 5 assignments used, quality = 0.89: H MET 31 + H ILE 33 OK 68 99 - 69 - 3.0/5556=26, 89/4.6=18...(15) H GLN 61 + H ILE 33 OK 32 87 - 37 - 4659/4.8=11, 3.0/96=4...(9) H TYR 55 + H ILE 33 OK 31 97 - 32 - 4.8/99=7, 5550/4.8=6...(11) H ASN 42 + H ILE 33 OK 13 87 - 14 - 89/4.6=3, 5550/4.8=2...(5) H GLU 50 + H ILE 33 OK 12 65 - 19 - 89/4.6=4, 3.6/5179=3...(8) Peak 5555 from nnoeabs.peaks (3.55, 7.91, 120.59 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.99: HD3 PRO 34 + H ILE 33 OK 99 99 - 100 - 4.8=100 HD3 PRO 36 + H ILE 33 OK 52 87 - 60 - 4217/3.0=13, 1.8/571=11...(12) Peak 5556 from nnoeabs.peaks (4.39, 7.91, 120.59 ppm; 5.16 A): 0 out of 3 assignments used, low quality = 0.22: HA MET 31 - H ILE 33 OK 22 60 - 37 - 3.0/5544=15, 3.0/5181=10...(4) HA ASP 47 - H ILE 33 lone 4 100 - 4 - HA MET 11 - H ILE 33 lone 2 92 - 2 - Peak 5559 from nnoeabs.peaks (0.85, 7.91, 120.59 ppm; 4.96 A): 5 out of 7 assignments used, quality = 0.84: QD2 LEU 64 + H ILE 33 OK 44 97 - 46 - 5560/3.9=8, 5030/4.5=7...(12) QG2 ILE 89 + H ILE 33 OK 39 93 - 42 - 5560/3.9=10, 3.2/1665=10...(10) QD2 LEU 29 + H ILE 33 OK 35 97 - 36 - 4.0/5188=22, 1511/4.6=3...(7) QD1 LEU 29 + H ILE 33 OK 19 71 - 26 - 4.0/5188=22, 1504/4.6=1 QD1 LEU 43 + H ILE 33 OK 13 68 - 19 - 5560/3.9=4, 6122/4.8=3...(6) QD2 LEU 86 - H ILE 33 poor 9 76 - 12 - 1512/5188=2, 4839/5303=2...(5) QD1 LEU 62 - H ILE 33 lone 8 85 - 9 - 5006/4.5=1, 1481/5188=1 Peak 5576 from nnoeabs.peaks (0.72, 6.31, 116.43 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 33 + H PHE 35 OK 86 93 - 93 - 3.2/4248=46, 5351=36...(16) QD2 LEU 57 + H PHE 35 OK 68 97 - 70 - 5742/4.5=23...(16) Peak 5587 from nnoeabs.peaks (1.04, 8.81, 115.67 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.75: QD1 ILE 40 + H THR 37 OK 73 98 - 74 - 4282/3.8=23, 4279/3.0=19...(11) HG3 PRO 34 + H THR 37 OK 10 100 - 10 - 4282/3.8=3, 5352/5738=2 Peak 5589 from nnoeabs.peaks (7.39, 8.81, 115.67 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.86: H LYS 39 + H THR 37 OK 82 100 - 82 - 4.6/912=37, 4867/4.0=31...(10) H LEU 64 + H THR 37 OK 24 63 - 38 - 4.7/254=10, 3.6/5787=9...(6) Peak 5590 from nnoeabs.peaks (7.63, 8.70, 119.49 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.93: H VAL 41 + H ASP 38 OK 74 100 - 74 - 5632/4.6=27, 4.7/4888=21...(12) HD21 ASN 42 + H ASP 38 OK 69 100 - 70 - 4287/3.0=20, 4358/4.0=15...(13) HD21 ASN 74 + H ASP 38 OK 15 85 - 17 - 4.4/4290=4, 5588/3.6=3...(5) Peak 5593 from nnoeabs.peaks (7.62, 7.39, 117.25 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.93: H VAL 41 + H LYS 39 OK 80 100 - 80 - 5632=43, 4.7/127=27...(10) HD21 ASN 42 + H LYS 39 OK 61 100 - 61 - 4287/3.6=17, 6082/3.0=14...(9) HD21 ASN 74 + H LYS 39 OK 14 93 - 14 - 915/4.6=3, 6082/3.0=3...(4) Peak 5594 from nnoeabs.peaks (1.87, 6.31, 116.43 ppm; 4.90 A): 1 out of 15 assignments used, quality = 1.00: HB3 PRO 34 + H PHE 35 OK 100 100 - 100 - 4.0=100 HB2 LYS 39 - H PHE 35 OK 26 87 - 31 - 5940/4.5=15, 5104/4.8=7...(8) HB3 ARG 71 - H PHE 35 OK 13 85 - 15 - 1702/3.6=3, 5562=2...(5) HB2 ARG 71 - H PHE 35 OK 12 83 - 15 - 1702/3.6=3, 5562=2...(5) HB ILE 68 - H PHE 35 OK 11 73 - 15 - 4560/4.5=3, 5246/109=2...(6) HB2 ARG 26 - H PHE 35 OK 11 99 - 11 - 1702/3.6=3, 1709/4.0=2 HB3 ARG 26 - H PHE 35 OK 11 99 - 11 - 1702/3.6=3, 1709/4.0=2 HB2 ARG 66 - H PHE 35 lone 8 100 - 8 - 4560/4.5=2, 4573/6.5=2 HB3 PRO 14 - H PHE 35 lone 8 93 - 9 - 1702/3.6=2, 4560/4.5=1 HB2 MET 11 - H PHE 35 lone 7 96 - 7 - 5104/4.8=2 HB3 ARG 27 - H PHE 35 lone 6 85 - 7 - 5562=1, 1702/3.6=1 HB2 ARG 27 - H PHE 35 lone 6 83 - 7 - 5562=1, 1702/3.6=1, 1.8/5562=1 HB2 GLN 91 - H PHE 35 lone 3 73 - 5 - 5562=1 HB3 ARG 23 - H PHE 35 lone 2 71 - 3 - HB2 ARG 23 - H PHE 35 lone 2 68 - 3 - Peak 5598 from nnoeabs.peaks (0.93, 8.70, 119.49 ppm; 5.24 A): 4 out of 9 assignments used, quality = 0.97: QG2 ILE 40 + H ASP 38 OK 71 100 - 72 - 4.0/4888=24, 4310/3.6=15...(11) QG2 VAL 41 + H ASP 38 OK 63 99 - 63 - 4.0/5590=14, 4890/3.0=12...(13) HG12 ILE 68 + H ASP 38 OK 53 99 - 54 - 4885/4.1=10, 4280/3.6=9...(11) QD2 LEU 62 + H ASP 38 OK 46 100 - 46 - 2592/4.6=12, 2593/3.6=11...(8) QD1 LEU 64 - H ASP 38 OK 21 68 - 31 - 2647/4.6=5, 4890/3.0=4...(11) QD2 LEU 43 - H ASP 38 OK 17 90 - 18 - 4918/4888=3, 4890/3.0=3...(6) QG1 VAL 76 - H ASP 38 lone 9 99 - 9 - 4885/4.1=1, 4882/4.4=1 QG2 VAL 76 - H ASP 38 lone 9 99 - 9 - 4885/4.1=1, 4882/4.4=1 QG1 VAL 90 - H ASP 38 lone 2 60 - 3 - Peak 5599 from nnoeabs.peaks (1.90, 8.70, 119.49 ppm; 5.21 A): 4 out of 12 assignments used, quality = 0.86: HG12 ILE 40 + H ASP 38 OK 60 99 - 60 - 4.6/4888=21, 4272/3.6=12...(11) HB ILE 68 + H ASP 38 OK 45 100 - 45 - 4272/3.6=10, 4277/4.1=8...(9) HG13 ILE 68 + H ASP 38 OK 29 71 - 41 - 1.8/5598=7, 4272/3.6=7...(9) HB3 PRO 14 + H ASP 38 OK 11 96 - 11 - 4277/4.1=3, 4272/3.6=2...(4) HB2 MET 11 - H ASP 38 lone 9 93 - 9 - 3.0/4291=3, 966/4291=3 HB2 GLU 19 - H ASP 38 lone 6 97 - 6 - HB3 ARG 26 - H ASP 38 lone 5 87 - 5 - 4277/4.1=1 HB2 ARG 26 - H ASP 38 lone 4 85 - 5 - 4277/4.1=1 HB3 GLU 87 - H ASP 38 lone 4 98 - 4 - HB2 ARG 66 - H ASP 38 lone 3 76 - 5 - ~5355=1 HB2 GLN 91 - H ASP 38 lone 3 100 - 3 - HB3 PRO 34 - H ASP 38 lone 3 71 - 4 - Peak 5605 from nnoeabs.peaks (3.93, 7.39, 117.25 ppm; 4.95 A): 2 out of 6 assignments used, quality = 0.85: HA THR 37 + H LYS 39 OK 79 98 - 81 - 3.6/123=39, 5603=27...(12) HA LEU 62 + H LYS 39 OK 26 100 - 26 - 120/4.6=5, 2564/5589=4...(7) HA3 GLY 18 - H LYS 39 lone 8 100 - 8 - 4308/4.6=2 HA2 GLY 18 - H LYS 39 lone 8 100 - 8 - 4308/4.6=2 HA3 GLY 21 - H LYS 39 lone 7 73 - 10 - 4308/4.6=1 HA2 GLY 21 - H LYS 39 lone 7 71 - 10 - 4308/4.6=1 Peak 5609 from nnoeabs.peaks (6.66, 7.24, 115.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 35 + H ILE 40 OK 95 100 - 96 - 4657=34, 5608/3.0=33...(20) Peak 5623 from nnoeabs.peaks (2.77, 7.63, 114.41 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.92: HB3 ASN 42 + H VAL 41 OK 71 99 - 72 - 4.1/916=25, 4.4/5631=15...(11) HB2 ASN 42 + H VAL 41 OK 70 97 - 72 - 4.1/916=25, 4.4/5631=15...(11) HB3 ASN 74 + H VAL 41 OK 12 93 - 12 - 4351/4.0=2, 3064=2...(6) HB3 ASN 80 - H VAL 41 lone 9 97 - 9 - 3.5/5631=2, 3064=1 Peak 5631 from nnoeabs.peaks (7.52, 7.63, 114.41 ppm; 4.21 A): 3 out of 4 assignments used, quality = 0.76: H LEU 43 + H VAL 41 OK 56 100 - 56 - 149/4.6=16, 4372/3.6=12...(10) H LEU 51 + H VAL 41 OK 30 97 - 31 - 187/4.6=8, 4943/4.7=6...(6) H ARG 54 + H VAL 41 OK 23 97 - 24 - 207/4.7=6, 5610/3.6=4...(7) HD21 ASN 80 - H VAL 41 poor 7 71 - 10 - 6020/4.4=2, 6020/4.0=2...(6) Peak 5632 from nnoeabs.peaks (7.38, 7.63, 114.41 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.67: H LYS 39 + H VAL 41 OK 67 92 - 73 - 5593=24, 4.6/137=23...(10) Peak 5633 from nnoeabs.peaks (7.25, 7.72, 113.33 ppm; 5.11 A): 4 out of 4 assignments used, quality = 0.89: H ILE 40 + H ASN 42 OK 76 99 - 76 - 137/4.6=23, 3.6/5790=22...(11) H ASP 47 + H ASN 42 OK 33 87 - 38 - 6130=11, 3.0/4454=8...(7) H ALA 53 + H ASN 42 OK 19 57 - 33 - 4.5/5687=7, 4.6/917=5...(11) HE ARG 54 + H ASN 42 OK 16 92 - 17 - 137/4.6=3, 4330/4.1=3...(7) Peak 5635 from nnoeabs.peaks (1.73, 7.72, 113.33 ppm; 5.05 A): 3 out of 10 assignments used, quality = 0.55: HB2 LEU 43 + H ASN 42 OK 38 100 - 38 - 3.9/149=25, 3.1/148=5...(6) HB2 LEU 29 + H ASN 42 OK 18 96 - 19 - 4.0/5525=6, 4.6/909=4...(4) HB2 LEU 62 + H ASN 42 OK 11 87 - 13 - 621/4.6=2, 3.1/148=2...(4) HB3 LYS 85 - H ASN 42 lone 8 99 - 8 - 621/4.6=3, 3.0/4354=1 HB3 LYS 83 - H ASN 42 lone 6 97 - 6 - 3.0/4354=2, 621/4.6=1 HB2 ARG 84 - H ASN 42 lone 5 100 - 5 - 621/4.6=1 HG2 ARG 70 - H ASN 42 lone 4 83 - 5 - HB3 ARG 17 - H ASN 42 lone 3 92 - 3 - HG3 ARG 26 - H ASN 42 lone 2 83 - 2 - HG3 ARG 71 - H ASN 42 lone 2 76 - 2 - Peak 5640 from nnoeabs.peaks (4.04, 7.52, 120.92 ppm; 4.35 A): 2 out of 6 assignments used, quality = 0.98: HD2 PRO 44 + H LEU 43 OK 94 100 - 94 - 4.8=75, 4398/3.0=27...(12) HA PHE 48 + H LEU 43 OK 65 97 - 67 - 4453=16, 3.0/5660=11...(13) HA GLU 59 - H LEU 43 OK 21 99 - 21 - 4637/3.9=4, 2056/4.8=4...(6) HA ALA 63 - H LEU 43 lone 7 76 - 9 - 4376/3.9=2, 4377/3.9=2 HB2 SER 22 - H LEU 43 lone 3 63 - 5 - HA ARG 26 - H LEU 43 lone 2 57 - 3 - Peak 5651 from nnoeabs.peaks (7.27, 8.62, 122.56 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.94: H ASP 47 + H VAL 45 OK 91 99 - 91 - 919/4.6=31, 4424/4.0=23...(18) HE ARG 54 + H VAL 45 OK 40 98 - 40 - 4930/3.0=10, 4424/4.0=8...(7) Peak 5660 from nnoeabs.peaks (7.53, 8.77, 123.38 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.94: H LEU 51 + H PHE 48 OK 77 99 - 78 - 5678=30, 4947/4.6=27...(13) H LEU 43 + H PHE 48 OK 74 100 - 74 - 3.9/4368=20, 3.9/4369=18...(11) H ARG 54 - H PHE 48 OK 25 99 - 25 - 4453/3.0=8, 4490/4.6=4...(9) HD21 ASN 80 - H PHE 48 lone 6 78 - 7 - 4453/3.0=2, 4490/4.6=1 Peak 5667 from nnoeabs.peaks (7.15, 8.65, 117.58 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.89: QE PHE 48 + H ASN 49 OK 89 100 - 90 - 2.2/180=36, 5289/3.6=33...(10) Peak 5668 from nnoeabs.peaks (0.45, 8.65, 117.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 52 + H ASN 49 OK 90 100 - 90 - 4486/3.0=47, 4959/4.5=30...(13) Peak 5669 from nnoeabs.peaks (4.15, 6.86, 112.13 ppm; 5.08 A): 2 out of 20 assignments used, quality = 0.96: HA ASN 49 + HD21 ASN 49 OK 93 93 - 100 - 4.4=100 HA ASN 49 + HE22 GLN 79 OK 44 92 - 48 - 2165=14, 3.0/2177=13...(5) HA ALA 30 - HD21 ASN 49 OK 14 89 - 15 - 2168/3.5=5, 2174/3.5=4...(4) HA ALA 53 - HD21 ASN 49 lone 8 97 - 8 - 2168/3.5=2, 2174/3.5=2...(4) HA GLN 91 - HD21 ASN 49 lone 6 85 - 7 - 442/1.7=2, 2168/3.5=2 HA LEU 29 - HD21 ASN 49 lone 5 99 - 5 - 2168/3.5=1, 2174/3.5=1 HA ARG 23 - HD21 ASN 49 lone 4 68 - 5 - 442/1.7=1, 2168/3.5=1 HB THR 15 - HD21 ASN 49 lone 3 92 - 3 - HA ALA 30 - HE22 GLN 79 lone 3 87 - 3 - HA ALA 53 - HE22 GLN 79 lone 3 95 - 3 - HA LEU 29 - HE22 GLN 79 lone 2 97 - 2 - HB THR 15 - HE22 GLN 79 lone 2 90 - 2 - HA GLN 91 - HE22 GLN 79 lone 2 83 - 2 - HA ARG 82 - HE22 GLN 79 lone 2 72 - 2 - HA ILE 89 - HD21 ASN 49 lone 1 89 - 2 - HA ARG 23 - HE22 GLN 79 lone 1 66 - 2 - HA ILE 89 - HE22 GLN 79 lone 1 87 - 2 - HA LYS 73 - HE22 GLN 79 lone 1 76 - 2 - HA LYS 73 - HD21 ASN 49 lone 1 78 - 2 - HA ARG 82 - HD21 ASN 49 lone 1 73 - 2 - Peak 5670 from nnoeabs.peaks (1.60, 7.73, 120.91 ppm; 4.73 A): 6 out of 19 assignments used, quality = 0.77: HB3 LEU 51 + H GLU 50 OK 57 100 - 58 - 3.9/187=22, 4.6/5672=15...(7) HG3 ARG 54 + H GLU 50 OK 15 78 - 19 - 4.9/923=6, 660/4.6=6, 4.0/4508=2 HB3 LEU 29 + H GLU 50 OK 13 87 - 14 - 4.0/5525=4, 3.0/182=3...(4) HD2 LYS 39 + H GLU 50 OK 10 92 - 11 - 5.0/5790=6, 660/4.6=2 HD2 LYS 32 + H GLU 50 OK 10 96 - 11 - 6.1/89=2, 660/4.6=1, 5.1/652=1 HD3 LYS 39 + H GLU 50 OK 10 90 - 11 - 5.0/5790=6, 660/4.6=2 HD3 LYS 32 - H GLU 50 poor 10 93 - 11 - 6.1/89=2, 660/4.6=1, 5.1/652=1 HB3 LEU 62 - H GLU 50 lone 8 97 - 8 - 660/4.6=2, 196/5672=1 HD2 LYS 73 - H GLU 50 lone 6 96 - 6 - 2.9/4501=1 HD3 LYS 73 - H GLU 50 lone 6 96 - 6 - 2.9/4501=1 HG LEU 86 - H GLU 50 lone 6 100 - 6 - 660/4.6=2 HB2 LEU 86 - H GLU 50 lone 4 90 - 5 - 660/4.6=1 HG3 ARG 70 - H GLU 50 lone 3 93 - 3 - HG2 ARG 84 - H GLU 50 lone 3 100 - 3 - HG3 ARG 84 - H GLU 50 lone 3 100 - 3 - HG2 ARG 71 - H GLU 50 lone 2 81 - 3 - HG2 ARG 26 - H GLU 50 lone 2 76 - 2 - HG2 ARG 17 - H GLU 50 lone 2 83 - 2 - HG3 ARG 17 - H GLU 50 lone 2 81 - 2 - Peak 5671 from nnoeabs.peaks (8.78, 7.73, 120.91 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.92: H PHE 48 + H GLU 50 OK 83 97 - 85 - 4452=28, 4.6/181=25...(15) H ASP 46 + H GLU 50 OK 56 93 - 60 - 3.0/4507=18, 4.6/6130=14...(14) Peak 5672 from nnoeabs.peaks (7.44, 7.73, 120.91 ppm; 4.59 A): 3 out of 3 assignments used, quality = 0.79: H LEU 52 + H GLU 50 OK 67 95 - 71 - 5687=24, 4494/3.6=22...(11) HE21 GLN 61 + H GLU 50 OK 23 90 - 26 - ~6133=4, 924/4.6=3...(10) H LEU 64 + H GLU 50 OK 19 76 - 25 - 4494/3.6=7, 924/4.6=6...(5) Peak 5678 from nnoeabs.peaks (8.78, 7.53, 121.73 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.85: H PHE 48 + H LEU 51 OK 78 100 - 78 - 4.6/4947=30, 3.6/4526=28...(13) H ASP 46 + H LEU 51 OK 32 99 - 32 - 5671/4.6=11, 175/4947=8...(11) Peak 5687 from nnoeabs.peaks (7.73, 7.43, 115.28 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.88: H GLU 50 + H LEU 52 OK 76 100 - 76 - 5672=29, 3.6/4494=25...(11) H ASN 42 + H LEU 52 OK 33 96 - 34 - 187/4.6=10, 4944/3.6=8...(8) H MET 31 + H LEU 52 OK 27 76 - 36 - 6.0/5082=6, 4944/3.6=5...(12) Peak 5696 from nnoeabs.peaks (0.63, 7.43, 115.28 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 51 + H LEU 52 OK 98 98 - 100 - 4.6=100 Peak 5698 from nnoeabs.peaks (2.05, 7.22, 117.09 ppm; 5.07 A): 5 out of 15 assignments used, quality = 0.91: HB2 GLU 50 + H ALA 53 OK 63 97 - 65 - 3.0/4509=21, 4.7/926=14...(12) HB3 GLU 50 + H ALA 53 OK 63 97 - 65 - 3.0/4509=21, 4.7/926=14...(12) HB VAL 76 + H ALA 53 OK 14 99 - 13 - 3.0/4549=3, 5699/2.9=2...(5) HD2 ARG 69 + H ALA 53 OK 12 83 - 14 - 5699/2.9=2, 3.9/673=2...(5) HD3 ARG 69 + H ALA 53 OK 12 83 - 14 - 5699/2.9=2, 3.9/673=2...(5) HB3 MET 31 - H ALA 53 poor 9 83 - 10 - 4.0/4559=4 HB2 GLU 25 - H ALA 53 lone 6 100 - 6 - HB3 GLU 25 - H ALA 53 lone 6 100 - 6 - HG2 PRO 44 - H ALA 53 lone 5 100 - 5 - HB2 GLU 87 - H ALA 53 lone 3 85 - 4 - HB3 GLU 19 - H ALA 53 lone 3 96 - 3 - HG2 PRO 56 - H ALA 53 lone 3 95 - 3 - HB3 PRO 56 - H ALA 53 lone 2 85 - 3 - HB3 GLN 91 - H ALA 53 lone 2 97 - 2 - HB VAL 45 - H ALA 53 lone 2 92 - 2 - Peak 5703 from nnoeabs.peaks (7.34, 7.53, 116.98 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.80: QD TYR 55 + H ARG 54 OK 80 100 - 80 - 687/4.6=26, 2.5/4965=20...(15) Peak 5713 from nnoeabs.peaks (6.81, 7.69, 117.85 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.98: QE TYR 55 + H TYR 55 OK 96 100 - 96 - 2.2/687=49, 6.3=48...(13) HE22 GLN 61 + H TYR 55 OK 51 92 - 56 - 3.5/2548=8, 2377/4.4=8...(17) QE TYR 81 - H TYR 55 OK 20 60 - 34 - 4970/4.6=7, 4562/4.6=7...(9) Peak 5730 from nnoeabs.peaks (0.99, 7.69, 117.85 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.83: QD1 LEU 57 + H TYR 55 OK 75 100 - 75 - ~6132=21, 4586/3.8=16...(17) QG1 VAL 45 + H TYR 55 OK 33 99 - 33 - 2109/4.8=6, 2109/4.8=6...(9) Peak 5731 from nnoeabs.peaks (0.65, 7.69, 117.85 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.49: QD1 LEU 51 + H TYR 55 OK 49 63 - 78 - 4531/4.4=22, 4946=21...(15) Peak 5732 from nnoeabs.peaks (1.40, 7.69, 117.85 ppm; 4.55 A): 5 out of 12 assignments used, quality = 0.83: QB ALA 53 + H TYR 55 OK 61 99 - 62 - 2.9/4973=26, 3.6/927=24...(5) HG3 LYS 39 + H TYR 55 OK 35 100 - 35 - 4967/3.6=7, 1.8/213=6...(11) HG3 LYS 73 + H TYR 55 OK 15 95 - 16 - 4967/3.6=3, 3.8/4582=3...(7) HG3 LYS 75 + H TYR 55 OK 11 97 - 11 - 4967/3.6=2, 209/4.6=1...(4) HG2 LYS 75 + H TYR 55 OK 11 97 - 11 - 4967/3.6=2, 209/4.6=1...(4) HB3 ARG 69 - H TYR 55 lone 6 99 - 6 - 4967/3.6=1 HG3 ARG 69 - H TYR 55 lone 4 73 - 6 - QB ALA 78 - H TYR 55 lone 3 95 - 3 - HG2 LYS 13 - H TYR 55 lone 3 76 - 4 - HG2 LYS 85 - H TYR 55 lone 2 76 - 3 - QB ALA 77 - H TYR 55 lone 2 71 - 3 - QB ALA 20 - H TYR 55 lone 2 76 - 2 - Peak 5733 from nnoeabs.peaks (1.96, 7.69, 117.85 ppm; 5.06 A): 3 out of 10 assignments used, quality = 0.84: HG LEU 57 + H TYR 55 OK 75 100 - 75 - 2.1/5730=28, ~6132=23...(13) HB2 MET 31 + H TYR 55 OK 27 76 - 35 - 4.3/5083=4, 3.0/1548=4...(13) HB2 LEU 64 + H TYR 55 OK 16 95 - 16 - 4584/3.8=2, 3.0/213=2...(6) HB VAL 41 - H TYR 55 poor 10 60 - 16 - 4584/3.8=2, 4588/3.8=2...(8) HB3 ARG 70 - H TYR 55 lone 9 100 - 9 - 3.0/211=3, 4584/3.8=1 HB2 ARG 70 - H TYR 55 lone 9 100 - 9 - 3.0/211=3, 4584/3.8=1 HG2 PRO 14 - H TYR 55 poor 8 68 - 12 - 2.3/4581=9 HG3 PRO 14 - H TYR 55 poor 8 68 - 12 - 2.3/4581=9 HB3 ARG 66 - H TYR 55 lone 7 89 - 8 - 4584/3.8=2, 4688/4974=1 HB2 GLN 79 - H TYR 55 lone 3 99 - 3 - Peak 5744 from nnoeabs.peaks (2.80, 8.15, 124.80 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.81: HB2 TYR 55 + H LEU 57 OK 68 100 - 68 - 1.8/5745=20, 4587/4.7=17...(9) HB2 ASN 74 + H LEU 57 OK 25 95 - 26 - 5152/4.7=7, 5748/4.7=6...(6) HB3 ASN 74 + H LEU 57 OK 21 89 - 24 - 5748/4.7=6, 5150/5.2=5...(5) Peak 5745 from nnoeabs.peaks (2.94, 8.15, 124.80 ppm; 5.07 A): 3 out of 9 assignments used, quality = 0.76: HB3 TYR 55 + H LEU 57 OK 66 100 - 66 - 1.8/5744=23, 4590/4.7=17...(8) HE3 LYS 73 + H LEU 57 OK 16 98 - 16 - 3.7/691=3, 4.7/690=2...(7) HE2 LYS 73 + H LEU 57 OK 16 97 - 16 - 3.7/691=3, 4.7/690=2...(7) HE2 LYS 32 - H LEU 57 lone 9 97 - 9 - 4604/4.7=2, 5151/5.2=2...(4) HE3 LYS 32 - H LEU 57 lone 9 97 - 9 - 4604/4.7=2, 5151/5.2=1...(4) HE3 LYS 75 - H LEU 57 lone 5 89 - 6 - 4604/4.7=2 HE2 LYS 75 - H LEU 57 lone 5 87 - 6 - 4604/4.7=2 HE3 LYS 13 - H LEU 57 lone 5 76 - 6 - 3.8/691=2, 4604/4.7=2 HE2 LYS 13 - H LEU 57 lone 5 73 - 6 - 3.8/691=2, 4604/4.7=2 Peak 5746 from nnoeabs.peaks (3.70, 8.15, 124.80 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.97: HD3 PRO 56 + H LEU 57 OK 83 99 - 84 - 3.6/218=41, 3.0/220=21...(10) HD2 PRO 56 + H LEU 57 OK 83 99 - 84 - 3.6/218=41, 3.0/220=21...(10) HA VAL 45 - H LEU 57 OK 30 99 - 31 - 3.2/694=11, 2097/4.7=8...(5) Peak 5747 from nnoeabs.peaks (1.56, 8.15, 124.80 ppm; 4.64 A): 6 out of 11 assignments used, quality = 0.68: HG LEU 62 + H LEU 57 OK 33 100 - 34 - 2.1/4597=12, 4982/3.8=7...(6) HB3 LEU 62 + H LEU 57 OK 19 68 - 27 - 3.1/4597=10, 4983/3.8=7...(5) HG LEU 64 + H LEU 57 OK 14 78 - 18 - 3.0/692=5, 5325/4.7=4...(5) HB3 ARG 54 + H LEU 57 OK 13 93 - 13 - 5325/4.7=4, 4982/3.8=4...(4) HG3 ARG 54 + H LEU 57 OK 11 93 - 12 - 4982/3.8=4, 4983/3.8=3...(4) HG2 LYS 39 + H LEU 57 OK 11 93 - 12 - 5325/4.7=2, 4982/3.8=2...(5) HB3 LEU 86 - H LEU 57 lone 8 100 - 8 - 3.1/4597=2, 4982/3.8=1...(4) HB3 LEU 29 - H LEU 57 lone 6 87 - 7 - 3.1/4597=1, 4983/3.8=1 HD3 LYS 39 - H LEU 57 lone 5 83 - 6 - 4983/3.8=1, 4982/3.8=1 HD2 LYS 39 - H LEU 57 lone 5 81 - 6 - 4983/3.8=1, 4982/3.8=1 HG3 ARG 23 - H LEU 57 lone 3 81 - 4 - Peak 5752 from nnoeabs.peaks (1.98, 9.06, 113.20 ppm; 5.37 A): 3 out of 10 assignments used, quality = 0.97: HG LEU 57 + H THR 58 OK 81 81 - 100 - 4.9=100 QE MET 31 + H THR 58 OK 72 93 - 78 - 3.3/4625=18, 3.3/5090=18...(17) HB2 LEU 64 + H THR 58 OK 39 100 - 39 - 5025/4.8=14, 2446/4.2=5...(12) HG LEU 43 - H THR 58 lone 9 95 - 10 - 5190/5090=2, 5191/4625=1 HB2 ARG 70 - H THR 58 poor 9 81 - 11 - 2439/4.2=2, 2446/4.2=2...(4) HB3 ARG 70 - H THR 58 poor 9 81 - 11 - 2439/4.2=2, 2446/4.2=2...(4) HB2 GLN 79 - H THR 58 lone 7 98 - 7 - HG2 PRO 14 - H THR 58 lone 6 98 - 6 - HG3 PRO 14 - H THR 58 lone 6 98 - 6 - HB3 GLN 79 - H THR 58 lone 3 85 - 4 - Peak 5753 from nnoeabs.peaks (2.16, 9.06, 113.20 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.94: HG3 GLN 61 + H THR 58 OK 94 100 - 94 - 3.0/4653=40, 3.0/4654=36...(12) HG3 PRO 44 - H THR 58 OK 24 83 - 29 - 2537/4653=6, 2545/4654=5...(8) Peak 5754 from nnoeabs.peaks (3.95, 9.06, 113.20 ppm; 4.97 A): 3 out of 13 assignments used, quality = 0.97: HA GLN 61 + H THR 58 OK 91 95 - 96 - 3.0/4653=38, 3.0/4648=38...(14) HA LEU 62 + H THR 58 OK 44 63 - 70 - 3.0/5368=37, 4.7/5757=19...(8) HA ALA 28 + H THR 58 OK 38 99 - 38 - 4174/4.8=10, 4175/4.2=5...(11) HA THR 37 - H THR 58 OK 32 90 - 36 - 4279/4.8=10, 3.0/4621=10...(5) HA GLU 50 - H THR 58 OK 21 96 - 22 - 5757=7, 4503/4.8=2...(8) HA LYS 32 - H THR 58 OK 18 71 - 25 - ~90=5, 3.9/698=3...(9) HA2 GLY 21 - H THR 58 OK 11 100 - 11 - 5285/4652=2, 2533/4653=1 HA3 GLY 21 - H THR 58 OK 11 100 - 11 - 5285/4652=2, 2533/4653=1 HA VAL 76 - H THR 58 lone 9 90 - 10 - HA2 GLY 72 - H THR 58 lone 6 97 - 6 - HA ARG 66 - H THR 58 lone 6 71 - 8 - 247/5368=1 HA3 GLY 18 - H THR 58 lone 4 76 - 5 - 4981/4.2=1 HA2 GLY 18 - H THR 58 lone 4 73 - 5 - 4981/4.2=1 Peak 5759 from nnoeabs.peaks (7.98, 7.68, 122.99 ppm; 4.83 A): 5 out of 6 assignments used, quality = 0.88: H ALA 63 + H GLN 61 OK 72 100 - 73 - 5780=27, 4.6/932=24...(9) H ALA 30 + H GLN 61 OK 37 100 - 37 - 4841/3.0=6, 933/4.6=6...(10) H LYS 73 + H GLN 61 OK 14 93 - 15 - 4.9/4657=2, 320/3.0=2...(7) H GLY 72 + H GLN 61 OK 12 99 - 12 - 933/4.6=2, 783/3.0=2...(4) H ARG 69 + H GLN 61 OK 11 100 - 11 - 933/4.6=3, 5379/3.0=2 H VAL 76 - H GLN 61 poor 9 76 - 12 - 3.0/710=2, 812/3.0=2...(4) Peak 5760 from nnoeabs.peaks (7.43, 7.68, 122.99 ppm; 5.23 A): 3 out of 3 assignments used, quality = 0.94: HE21 GLN 61 + H GLN 61 OK 66 73 - 91 - 6.6=49, 3.5/714=30...(15) H LEU 52 + H GLN 61 OK 59 100 - 59 - 5776/4.6=11, 3.0/5143=10...(20) H LEU 64 + H GLN 61 OK 58 92 - 63 - 5776/4.6=17, 4.7/5780=15...(12) Peak 5762 from nnoeabs.peaks (3.89, 7.46, 111.22 ppm; 4.80 A): 3 out of 4 assignments used, quality = 0.93: HA ILE 33 + HE21 GLN 61 OK 75 100 - 75 - 5545=24, 4206/1.7=19...(10) HA LEU 51 + HE21 GLN 61 OK 51 99 - 52 - 5763/1.7=13, 3.0/4668=7...(15) HD2 PRO 36 + HE21 GLN 61 OK 42 92 - 46 - 1.8/5764=12, ~4655=10...(12) HB3 SER 22 - HE21 GLN 61 lone 9 99 - 9 - 5763/1.7=2 Peak 5763 from nnoeabs.peaks (3.89, 6.83, 111.22 ppm; 4.67 A): 3 out of 4 assignments used, quality = 0.95: HA ILE 33 + HE22 GLN 61 OK 79 100 - 79 - 5545/1.7=21, 4206=19...(14) HA LEU 51 + HE22 GLN 61 OK 61 100 - 61 - 5762/1.7=11, 4945=10...(18) HD2 PRO 36 + HE22 GLN 61 OK 39 85 - 46 - 1.8/4655=12, ~5764=9...(12) HB3 SER 22 - HE22 GLN 61 OK 10 100 - 10 - 5762/1.7=2 Peak 5764 from nnoeabs.peaks (3.56, 7.46, 111.22 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.86: HD3 PRO 34 + HE21 GLN 61 OK 74 90 - 82 - 4655/1.7=28, 3.8/5545=20...(14) HD3 PRO 36 + HE21 GLN 61 OK 48 97 - 49 - 4655/1.7=13, 1.8/5762=11...(11) HA VAL 41 - HE21 GLN 61 lone 3 78 - 4 - Peak 5766 from nnoeabs.peaks (1.66, 7.46, 111.22 ppm; 4.96 A): 1 out of 8 assignments used, quality = 1.00: HB3 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 4.6=100 HD3 LYS 13 - HE21 GLN 61 OK 27 100 - 27 - 4074/1.7=4, 2559/3.5=4...(9) HD2 LYS 13 - HE21 GLN 61 OK 27 100 - 27 - 4074/1.7=4, 2559/3.5=4...(9) HD2 LYS 75 - HE21 GLN 61 OK 24 100 - 24 - 4074/1.7=4, 2559/3.5=3...(9) HD3 LYS 75 - HE21 GLN 61 OK 24 100 - 24 - 4074/1.7=4, 2559/3.5=3...(9) HG LEU 29 - HE21 GLN 61 OK 14 97 - 14 - 2535/4.6=2, 4074/1.7=2...(6) HB3 LYS 13 - HE21 GLN 61 lone 9 89 - 9 - 2551/3.5=1, 2559/3.5=1...(4) HG2 ARG 23 - HE21 GLN 61 lone 8 99 - 8 - 2551/3.5=2, 4074/1.7=1...(4) Peak 5769 from nnoeabs.peaks (1.77, 7.68, 122.99 ppm; 4.42 A): 4 out of 17 assignments used, quality = 0.94: HB2 LEU 57 + H GLN 61 OK 67 100 - 67 - 4.2/4648=26, 3.1/4659=15...(12) HB ILE 33 + H GLN 61 OK 47 100 - 47 - 3.2/4659=14, ~4503=6...(15) HB2 ARG 54 + H GLN 61 OK 43 99 - 44 - 3871=10, 1.8/3872=9...(9) HB2 LEU 62 + H GLN 61 OK 37 71 - 52 - 4.0/932=25, 4.6/5780=11...(9) HB3 LYS 32 - H GLN 61 OK 28 100 - 28 - 2.9/4658=4, 6065/6.6=4...(11) HB2 LYS 32 - H GLN 61 OK 28 100 - 28 - 2.9/4658=4, 6065/6.6=4...(11) HG2 PRO 34 - H GLN 61 OK 19 96 - 20 - 5933/6.6=4, 4246/4627=3...(7) HB2 PRO 34 - H GLN 61 OK 15 99 - 15 - 6065/6.6=4, 4864/6.6=3...(4) HB3 LYS 73 - H GLN 61 OK 11 99 - 11 - 2.9/4657=3, 4.0/5759=2 HB3 LYS 75 - H GLN 61 poor 10 90 - 11 - 3.5/712=2, 3.5/712=2...(4) HB2 LYS 13 - H GLN 61 poor 9 87 - 10 - 3.5/712=2, 3.5/712=2, 1.8/712=1 HB3 LYS 39 - H GLN 61 lone 7 97 - 7 - HG3 ARG 71 - H GLN 61 lone 4 83 - 4 - 5.0/5759=1 HB3 ARG 82 - H GLN 61 lone 3 99 - 3 - HB3 ARG 17 - H GLN 61 lone 3 63 - 4 - 3.0/243=1 HG3 ARG 26 - H GLN 61 lone 2 76 - 3 - HB2 LYS 83 - H GLN 61 lone 2 97 - 2 - Peak 5774 from nnoeabs.peaks (1.96, 8.82, 120.20 ppm; 5.10 A): 3 out of 11 assignments used, quality = 0.97: HG LEU 57 + H LEU 62 OK 87 97 - 89 - 4.9/5368=27, ~6069=27...(17) HB2 LEU 64 + H LEU 62 OK 57 99 - 57 - 4.0/5776=19, 3.0/5775=9...(18) QE MET 31 + H LEU 62 OK 44 71 - 62 - 3.3/248=13, 5232/3.6=11...(16) HB2 MET 31 - H LEU 62 OK 28 60 - 48 - 3.0/248=14, 3.0/250=8...(12) HG LEU 43 - H LEU 62 OK 21 73 - 28 - 2.1/722=5, ~2569=3...(11) HB2 ARG 70 - H LEU 62 OK 13 97 - 13 - 4685/4.6=3, 4.1/933=1 HB3 ARG 70 - H LEU 62 OK 13 97 - 13 - 4685/4.6=3, 4.1/933=1 HB3 ARG 66 - H LEU 62 poor 10 76 - 13 - 3.0/247=3, 5009/5787=2 HB2 GLN 79 - H LEU 62 lone 7 100 - 7 - 6011/3.6=2, 16044/247=1 HG3 PRO 14 - H LEU 62 lone 5 83 - 6 - HG2 PRO 14 - H LEU 62 lone 5 83 - 6 - Peak 5775 from nnoeabs.peaks (4.28, 8.82, 120.20 ppm; 4.96 A): 5 out of 10 assignments used, quality = 0.88: HA SER 60 + H LEU 62 OK 51 100 - 52 - 3.6/932=32, 4647/4.6=17...(4) HA LEU 64 + H LEU 62 OK 46 81 - 57 - 3.0/5776=22, 4.9/5787=18...(10) HA ASP 38 + H LEU 62 OK 31 100 - 31 - 3.0/119=12, 3.0/250=4...(7) HA LEU 86 + H LEU 62 OK 24 81 - 29 - 4.0/723=6, 3.0/721=4...(10) HA ARG 17 + H LEU 62 OK 15 100 - 15 - ~4674=3, 4690/4.6=3...(6) HA ALA 20 - H LEU 62 lone 8 83 - 9 - 5494/3.0=3, 4690/4.6=2 HA THR 88 - H LEU 62 lone 3 100 - 3 - HA GLU 19 - H LEU 62 lone 3 73 - 4 - HA ALA 12 - H LEU 62 lone 2 76 - 3 - HA ALA 16 - H LEU 62 lone 2 60 - 3 - Peak 5776 from nnoeabs.peaks (7.42, 8.82, 120.20 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.87: H LEU 64 + H LEU 62 OK 75 99 - 76 - 4.7/254=23, 5788=22...(15) H LEU 52 + H LEU 62 OK 46 100 - 46 - 934/4.6=8, 3.9/5235=7...(14) Peak 5779 from nnoeabs.peaks (8.38, 7.98, 119.93 ppm; 4.67 A): 4 out of 5 assignments used, quality = 0.89: H VAL 65 + H ALA 63 OK 71 100 - 71 - 4.6/934=21, 4674/3.6=18...(10) H ARG 17 + H ALA 63 OK 31 99 - 31 - 5785/2.9=5, 5783/3.0=5...(8) H GLY 21 + H ALA 63 OK 26 100 - 26 - 935/4.7=6, 5785/2.9=5...(8) H GLY 18 + H ALA 63 OK 24 89 - 27 - 3.6/4690=4, 5783/3.0=3...(9) H ALA 16 - H ALA 63 lone 3 57 - 5 - Peak 5780 from nnoeabs.peaks (7.69, 7.98, 119.93 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.84: H GLN 61 + H ALA 63 OK 71 99 - 71 - 932/4.6=24, 5759=23...(9) H MET 31 + H ALA 63 OK 26 85 - 31 - 86=6, 246/4.6=5...(9) H TYR 55 + H ALA 63 OK 26 100 - 26 - 246/4.6=7, 5777/4.6=7...(6) H ASN 42 - H ALA 63 poor 8 57 - 14 - 4.1/259=3, 4.1/4327=3...(4) Peak 5788 from nnoeabs.peaks (8.82, 7.42, 119.17 ppm; 5.50 A): 2 out of 2 assignments used, quality = 0.90: H LEU 62 + H LEU 64 OK 84 99 - 85 - 5776=30, 254/4.7=28...(16) H THR 37 + H LEU 64 OK 36 100 - 36 - 254/4.7=10, 5787/3.6=10...(8) Peak 5795 from nnoeabs.peaks (0.71, 8.38, 117.58 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.84: QD1 ILE 33 + H VAL 65 OK 67 100 - 67 - 4211=22, 4725/4.0=17...(13) QD2 LEU 57 + H VAL 65 OK 51 100 - 51 - 4725/4.0=16, 4729/4.0=15...(8) Peak 5796 from nnoeabs.peaks (4.06, 8.38, 117.58 ppm; 4.89 A): 4 out of 7 assignments used, quality = 0.84: HA ALA 63 + H VAL 65 OK 74 100 - 74 - 3.6/264=27, 4691/4.6=26...(9) HA ARG 71 + H VAL 65 OK 16 93 - 18 - 5036/4.6=4, ~5837=3...(4) HA GLU 59 + H VAL 65 OK 14 89 - 16 - 262/4.6=3, 2486/3.8=3...(5) HA ARG 26 + H VAL 65 OK 12 99 - 12 - 5036/4.6=3, 262/4.6=2...(4) HD2 PRO 44 - H VAL 65 poor 9 73 - 13 - 4925/4.4=3, 4.8/267=3, 262/4.6=2 HA VAL 90 - H VAL 65 lone 6 93 - 6 - 5036/4.6=2, 262/4.6=1 HA GLU 25 - H VAL 65 lone 3 65 - 4 - Peak 5800 from nnoeabs.peaks (2.87, 8.59, 117.85 ppm; 5.02 A): 1 out of 4 assignments used, quality = 0.58: HB2 ASP 67 + H ARG 66 OK 58 68 - 85 - 3.9/276=39, 1.8/5813=33...(7) HB2 PHE 35 - H ARG 66 lone 7 85 - 8 - 1744/5811=2, 750/4.6=2 HB3 PHE 48 - H ARG 66 lone 6 97 - 7 - 5288/5789=2, 4475/4.9=2 HB2 ASN 49 - H ARG 66 lone 6 68 - 8 - 749/4.6=3, 4488/5814=1 Peak 5801 from nnoeabs.peaks (7.43, 8.59, 117.85 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.92: H LEU 64 + H ARG 66 OK 87 97 - 89 - 5018=40, 4.6/936=30...(11) H LEU 52 + H ARG 66 OK 39 100 - 39 - 5799/4.1=10, 668/4.1=10...(8) HE21 GLN 61 - H ARG 66 lone 5 60 - 8 - 5.7/740=2 Peak 5803 from nnoeabs.peaks (0.81, 7.93, 121.56 ppm; 5.24 A): 4 out of 6 assignments used, quality = 0.85: QG2 ILE 68 + H ASP 67 OK 55 100 - 55 - 4.0/938=30, 3.2/5817=7...(12) QG1 VAL 41 + H ASP 67 OK 33 95 - 35 - 754/4.6=7, 2.1/4741=7...(10) QD1 ILE 68 + H ASP 67 OK 31 63 - 49 - 5.0/938=25, 2.1/5817=8...(10) QD1 LEU 43 + H ASP 67 OK 27 81 - 33 - 2.1/4741=8, 4913/3.9=4...(8) QD1 ILE 89 - H ASP 67 lone 10 100 - 10 - 754/4.6=2 QD2 LEU 86 - H ASP 67 poor 9 73 - 12 - 4.9/938=3, 754/4.6=1 Peak 5804 from nnoeabs.peaks (1.23, 7.93, 121.56 ppm; 5.11 A): 4 out of 5 assignments used, quality = 0.96: QG1 VAL 65 + H ASP 67 OK 68 99 - 69 - 4.1/276=39, 2.1/4714=12...(10) QG2 VAL 65 + H ASP 67 OK 66 93 - 71 - 4.1/276=39, 5244/3.6=14...(11) HG2 ARG 69 + H ASP 67 OK 40 93 - 43 - 3.9/5807=8, 4734/3.6=5...(11) HG13 ILE 40 + H ASP 67 OK 36 100 - 36 - 5046/4.6=7, 3.2/4741=6...(10) HG13 ILE 33 - H ASP 67 OK 35 99 - 35 - 2.1/1679=6, 1672=5...(9) Peak 5805 from nnoeabs.peaks (1.50, 7.93, 121.56 ppm; 5.71 A): 1 out of 4 assignments used, quality = 0.53: QB ALA 63 + H ASP 67 OK 53 89 - 59 - 5786/4.6=26, 2.1/5808=19...(5) HG2 LYS 73 - H ASP 67 lone 5 71 - 7 - 4904/5803=1 HG2 ARG 82 - H ASP 67 lone 4 71 - 6 - 2.9/281=1 HB3 LEU 52 - H ASP 67 lone 3 57 - 5 - Peak 5806 from nnoeabs.peaks (3.19, 7.93, 121.56 ppm; 5.30 A): 4 out of 13 assignments used, quality = 0.98: HD3 ARG 66 + H ASP 67 OK 72 100 - 72 - 6.2/276=25, 3.4/278=13...(16) HD2 ARG 66 + H ASP 67 OK 72 100 - 72 - 6.2/276=25, 3.4/278=13...(16) HD3 ARG 70 + H ASP 67 OK 54 85 - 64 - ~5052=13, 3.0/281=9...(19) HD2 ARG 70 + H ASP 67 OK 51 81 - 64 - ~5052=13, 3.0/281=9...(19) HD3 ARG 26 - H ASP 67 OK 25 97 - 26 - 4.8/5808=5, 3.5/278=4...(8) HD2 ARG 26 - H ASP 67 OK 25 97 - 26 - 4.8/5808=5, 3.5/278=4...(8) HD3 ARG 71 - H ASP 67 OK 23 92 - 25 - 4.7/5808=8, 5.8/303=4...(8) HD3 ARG 27 - H ASP 67 lone 9 90 - 10 - 3.5/278=1, 3.5/278=1 HD2 ARG 27 - H ASP 67 lone 9 90 - 10 - 3.5/278=1, 3.5/278=1 HD2 ARG 23 - H ASP 67 lone 7 83 - 8 - 5019/4741=1 HD3 ARG 23 - H ASP 67 lone 7 83 - 8 - 5019/4741=1 HD2 ARG 17 - H ASP 67 lone 4 71 - 6 - HD3 ARG 17 - H ASP 67 lone 4 71 - 6 - Peak 5807 from nnoeabs.peaks (3.63, 7.93, 121.56 ppm; 5.35 A): 4 out of 4 assignments used, quality = 0.95: HA VAL 65 + H ASP 67 OK 73 100 - 73 - 3.6/276=44, 5313/4.6=24...(8) HA ARG 69 + H ASP 67 OK 58 100 - 59 - ~5819=12, 4747/4.6=10...(17) HA ILE 40 + H ASP 67 OK 38 100 - 39 - 4747/4.6=9, 3.2/4741=6...(9) HD3 PRO 14 + H ASP 67 OK 28 93 - 30 - 272/4.6=4, 4747/4.6=3...(9) Peak 5808 from nnoeabs.peaks (4.07, 7.93, 121.56 ppm; 4.80 A): 3 out of 6 assignments used, quality = 0.79: HA ALA 63 + H ASP 67 OK 55 97 - 57 - 4691/4.6=25, 2.1/5805=23...(5) HA ARG 71 + H ASP 67 OK 38 100 - 38 - ~5838=9, 5036/4.6=6...(9) HA ARG 26 + H ASP 67 OK 26 100 - 26 - 5036/4.6=5, 3.0/278=3...(8) HA VAL 90 - H ASP 67 lone 9 100 - 9 - 5036/4.6=3, 3.0/280=1 HA GLU 25 - H ASP 67 lone 6 90 - 6 - ~51=1 HA GLU 59 - H ASP 67 lone 2 63 - 3 - Peak 5809 from nnoeabs.peaks (3.98, 8.44, 120.04 ppm; 5.10 A): 4 out of 11 assignments used, quality = 0.94: HA ARG 66 + H ILE 68 OK 71 100 - 71 - 3.0/5812=37, 3.6/938=31...(12) HA2 GLY 72 + H ILE 68 OK 57 90 - 63 - ~5845=21, 3.0/939=10...(12) HA ALA 28 + H ILE 68 OK 29 81 - 36 - 5928/4.0=11, 4176/4.5=7...(8) HA VAL 76 + H ILE 68 OK 28 97 - 29 - 5379/4.7=6, 3.0/939=3...(11) HA ARG 70 - H ILE 68 OK 25 76 - 34 - 2.9/5826=23, 277/4.6=5...(4) HA LYS 32 - H ILE 68 OK 17 100 - 17 - 3.0/284=3, 5379/4.7=3...(6) HA GLN 61 - H ILE 68 OK 11 93 - 12 - 740/5812=2, 5379/4.7=2...(4) HA GLU 50 - H ILE 68 lone 9 92 - 9 - 5379/4.7=2, 277/4.6=1 HA2 GLY 21 - H ILE 68 lone 6 65 - 8 - 4.8/1239=2 HA3 GLY 21 - H ILE 68 lone 5 63 - 8 - 4.8/1239=2 HA ARG 54 - H ILE 68 lone 3 60 - 4 - 3.0/5818=1 Peak 5810 from nnoeabs.peaks (4.27, 8.44, 120.04 ppm; 4.77 A): 5 out of 11 assignments used, quality = 0.90: HA LEU 64 + H ILE 68 OK 73 93 - 79 - 6135=29, 5287/4.6=23...(11) HA ASP 38 + H ILE 68 OK 30 100 - 30 - 4891/4.0=7, 5355/4.5=7...(7) HA ALA 20 + H ILE 68 OK 24 95 - 26 - 1236=7, 4739/4.6=4...(7) HA GLU 19 + H ILE 68 OK 21 89 - 23 - 3720=4, 4739/4.6=3...(9) HA LYS 39 + H ILE 68 OK 13 73 - 17 - 4.1/5818=4, ~4748=2...(7) HA THR 88 - H ILE 68 lone 7 99 - 7 - 3.0/5900=3, ~5815=1 HA LEU 86 - H ILE 68 poor 7 63 - 10 - 3.0/5818=3, 3.0/5898=2...(4) HA ARG 17 - H ILE 68 lone 7 100 - 7 - HA SER 60 - H ILE 68 lone 6 100 - 6 - 4647/4.7=1 HA THR 15 - H ILE 68 lone 4 63 - 7 - 4.9/753=2 HA ALA 12 - H ILE 68 lone 3 90 - 3 - Peak 5812 from nnoeabs.peaks (8.58, 8.44, 120.04 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.82: H ARG 66 + H ILE 68 OK 82 100 - 82 - 276/4.6=30, 3.6/5313=23...(17) Peak 5818 from nnoeabs.peaks (1.54, 8.44, 120.04 ppm; 5.33 A): 5 out of 7 assignments used, quality = 0.75: HG LEU 64 + H ILE 68 OK 54 100 - 54 - 2.1/6134=25, 4.3/6135=20...(4) HG2 LYS 39 + H ILE 68 OK 20 97 - 21 - 4759/5.0=5, 5119/4.5=3...(7) HG LEU 62 + H ILE 68 OK 12 63 - 19 - 4759/5.0=5, 2.1/755=3...(5) HG3 ARG 23 + H ILE 68 OK 12 100 - 12 - 4759/5.0=5, 2651/6134=2 HB3 LEU 86 + H ILE 68 OK 11 71 - 15 - 4759/5.0=3, 4.0/5898=2...(5) HG2 ARG 82 - H ILE 68 lone 7 97 - 7 - 5242/5.0=2 HB3 ARG 54 - H ILE 68 lone 5 97 - 5 - Peak 5819 from nnoeabs.peaks (4.48, 7.98, 119.32 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.63: HA ASP 67 + H ARG 69 OK 55 100 - 55 - 3.6/288=28, 4792/4.6=18...(7) HA PRO 14 + H ARG 69 OK 17 73 - 23 - 3.6/759=5, ~1106=4...(7) HA ASP 46 - H ARG 69 poor 10 93 - 10 - 285/4.7=4, 4792/4.6=3 HA ASP 24 - H ARG 69 lone 8 99 - 9 - 4792/4.6=3, 285/4.7=2 HA TYR 81 - H ARG 69 lone 7 85 - 8 - 4792/4.6=3, 6059/4.0=2 Peak 5820 from nnoeabs.peaks (2.03, 7.98, 119.32 ppm; 4.41 A): 3 out of 16 assignments used, quality = 0.97: HD3 ARG 69 + H ARG 69 OK 76 100 - 76 - 6.3=34, 3.0/762=13...(13) HD2 ARG 69 + H ARG 69 OK 76 100 - 76 - 6.3=34, 3.0/762=13...(13) HB VAL 76 + H ARG 69 OK 45 93 - 48 - 4.0/940=9, 3.0/5379=7...(14) HG2 ARG 66 - H ARG 69 OK 19 83 - 24 - 4.1/5378=6, 3927/4.6=3...(8) HB3 GLU 50 - H ARG 69 OK 16 97 - 17 - 2807/4.0=2, 2799/4.0=2...(8) HB2 GLU 50 - H ARG 69 OK 16 97 - 17 - 2807/4.0=2, 2799/4.0=2...(8) HB2 GLU 87 - H ARG 69 OK 15 100 - 14 - 4.0/288=6, 1.8/290=2...(4) HB3 GLU 19 - H ARG 69 OK 13 99 - 13 - 4.6/288=5, 1.8/290=2, 3722/4.7=1 HB VAL 90 - H ARG 69 lone 6 96 - 6 - HB2 GLU 25 - H ARG 69 lone 4 76 - 5 - HB3 GLU 25 - H ARG 69 lone 4 73 - 5 - HB3 PRO 56 - H ARG 69 lone 4 100 - 4 - HG2 PRO 56 - H ARG 69 lone 4 99 - 3 - HG2 PRO 44 - H ARG 69 lone 3 89 - 4 - HB3 GLN 91 - H ARG 69 lone 3 97 - 3 - HB3 MET 11 - H ARG 69 lone 3 73 - 4 - Peak 5825 from nnoeabs.peaks (8.10, 7.98, 119.32 ppm; 4.37 A): 3 out of 5 assignments used, quality = 0.83: H ARG 71 + H ARG 69 OK 65 100 - 66 - 5389/3.6=27, 5390/4.6=15...(9) H LYS 75 + H ARG 69 OK 39 97 - 40 - 4.6/940=7, 5390/4.6=6...(14) H LYS 85 + H ARG 69 OK 18 100 - 18 - 5390/4.6=4, 5815/3.6=3...(5) H THR 88 - H ARG 69 poor 8 57 - 14 - 4.6/288=5, 5815/3.6=2...(5) H ARG 26 - H ARG 69 lone 4 57 - 8 - 5815/3.6=1, 5390/4.6=1 Peak 5826 from nnoeabs.peaks (8.43, 7.95, 118.23 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.80: H ILE 68 + H ARG 70 OK 70 100 - 71 - 3.6/4792=22, 288/4.6=21...(18) H GLU 87 + H ARG 70 OK 21 97 - 22 - 288/4.6=6, 4.9/5831=2...(6) H ALA 20 + H ARG 70 OK 14 87 - 16 - 288/4.6=6, 499/4.3=2...(4) Peak 5828 from nnoeabs.peaks (3.21, 7.95, 118.23 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.99: HD2 ARG 70 + H ARG 70 OK 87 99 - 88 - 6.3=51, 3.0/2864=17...(19) HD3 ARG 70 + H ARG 70 OK 86 97 - 88 - 6.3=51, 3.0/2864=17...(19) HD2 ARG 66 + H ARG 70 OK 47 71 - 67 - 3.0/770=9, 3.4/768=7...(30) HD3 ARG 66 - H ARG 70 OK 43 65 - 67 - 3.0/770=9, 3.4/769=7...(29) HD3 ARG 71 - H ARG 70 OK 28 93 - 30 - 5.8/5390=14, 3.0/771=4...(6) Peak 5829 from nnoeabs.peaks (1.24, 7.95, 118.23 ppm; 4.46 A): 5 out of 5 assignments used, quality = 0.94: HG2 ARG 69 + H ARG 70 OK 58 100 - 58 - 3.0/3941=14, 3.0/298=12...(11) QG1 VAL 65 + H ARG 70 OK 57 99 - 57 - 2.1/4714=8, 5797=8...(16) HG13 ILE 40 + H ARG 70 OK 42 99 - 43 - 2788/3.6=8, 2804/4.3=7...(8) QG2 VAL 65 + H ARG 70 OK 31 65 - 48 - 3.2/296=8, 2.1/5797=8...(13) HG13 ILE 33 + H ARG 70 OK 11 83 - 14 - 3943=2, 2796/4.3=2...(5) Peak 5830 from nnoeabs.peaks (0.93, 7.95, 118.23 ppm; 4.71 A): 5 out of 8 assignments used, quality = 0.96: QG2 ILE 40 + H ARG 70 OK 61 100 - 61 - 4303/4.3=13, 4302/4.3=10...(13) HG12 ILE 68 + H ARG 70 OK 52 97 - 54 - 4.5/5826=15, 5.0/940=11...(8) QG2 VAL 41 + H ARG 70 OK 49 100 - 49 - 5130/3.6=12, 2.1/5831=6...(12) QG2 VAL 76 + H ARG 70 OK 38 97 - 39 - 3.2/3156=6, 3.9/295=5...(11) QG1 VAL 76 + H ARG 70 OK 38 97 - 39 - 3.2/3156=6, 3.9/295=5...(11) QD1 LEU 64 - H ARG 70 OK 32 76 - 42 - 5012=6, 3.1/770=4...(16) QD2 LEU 62 - H ARG 70 OK 30 100 - 29 - 3910/4.6=3, 5834/4.6=3...(12) QD2 LEU 43 - H ARG 70 OK 21 95 - 22 - 2.1/5831=4, 3.1/770=2...(4) Peak 5831 from nnoeabs.peaks (0.82, 7.95, 118.23 ppm; 5.09 A): 7 out of 8 assignments used, quality = 0.94: QG2 ILE 68 + H ARG 70 OK 63 98 - 64 - 4.0/5826=19, 4.1/940=16...(14) QG1 VAL 41 + H ARG 70 OK 41 78 - 52 - 4767/3.6=10, 5821/4.3=9...(13) QD1 LEU 43 + H ARG 70 OK 27 96 - 28 - 4703/3.6=3, 2.1/5830=3...(7) QD2 LEU 64 + H ARG 70 OK 25 65 - 38 - 2.1/5012=7, 3.1/770=5...(14) QD2 LEU 86 + H ARG 70 OK 23 92 - 25 - 4.9/5826=5, 2.1/1504=2...(8) QD1 ILE 89 + H ARG 70 OK 21 99 - 21 - 5274/4.3=4, 4767/3.6=3...(5) QD2 LEU 29 + H ARG 70 OK 19 65 - 28 - 3.1/1483=5, 2.1/1497=5...(8) QG2 ILE 89 - H ARG 70 lone 6 73 - 8 - 3613/4.3=1, 2.1/297=1 Peak 5833 from nnoeabs.peaks (3.19, 8.11, 117.98 ppm; 4.83 A): 5 out of 11 assignments used, quality = 1.00: HD3 ARG 71 + H ARG 71 OK 85 100 - 85 - 5.8=56, 3.0/2928=22...(16) HD3 ARG 70 + H ARG 71 OK 65 98 - 66 - 3.0/307=14, 3.5/306=14...(19) HD2 ARG 70 + H ARG 71 OK 64 97 - 66 - 3.0/307=14, 3.5/306=14...(19) HD2 ARG 66 + H ARG 71 OK 60 99 - 61 - 3.0/307=8, 3.4/306=8...(24) HD3 ARG 66 + H ARG 71 OK 59 99 - 60 - 3.0/307=8, 3.4/306=8...(24) HD3 ARG 26 - H ARG 71 OK 45 83 - 54 - 3.0/779=8, 4.8/775=6...(26) HD2 ARG 26 - H ARG 71 OK 43 81 - 54 - 3.0/779=8, 4.8/775=6...(26) HD2 ARG 27 - H ARG 71 OK 15 68 - 22 - 6.3/5380=3, 3.5/777=2...(7) HD3 ARG 27 - H ARG 71 OK 15 68 - 22 - 6.3/5380=3, 3.5/777=2...(7) HD2 ARG 23 - H ARG 71 lone 5 57 - 9 - HD3 ARG 23 - H ARG 71 lone 5 57 - 9 - Peak 5834 from nnoeabs.peaks (0.94, 8.11, 117.98 ppm; 5.04 A): 5 out of 8 assignments used, quality = 0.91: HG12 ILE 68 + H ARG 71 OK 58 92 - 64 - 4.0/15389=32...(12) QG2 VAL 41 + H ARG 71 OK 42 100 - 42 - 5055/4.7=8, 2.1/5835=8...(12) QD2 LEU 62 + H ARG 71 OK 31 99 - 31 - 3.1/779=3, 2.1/5367=3...(10) QG2 ILE 40 + H ARG 71 OK 31 99 - 31 - 3.2/5837=6, 5830/4.6=5...(7) QD1 LEU 64 + H ARG 71 OK 25 85 - 29 - 5012/4.6=4, 3.1/307=4...(12) QG2 VAL 76 - H ARG 71 OK 18 92 - 20 - 3.9/303=5, 5830/4.6=3 QG1 VAL 76 - H ARG 71 OK 18 92 - 20 - 3.9/303=5, 5830/4.6=3 QD2 LEU 43 - H ARG 71 OK 18 98 - 18 - 2.1/5835=3, 5830/4.6=2...(5) Peak 5835 from nnoeabs.peaks (0.81, 8.11, 117.98 ppm; 5.33 A): 6 out of 6 assignments used, quality = 0.95: QG2 ILE 68 + H ARG 71 OK 73 100 - 73 - 3.2/5389=40, 4.1/5825=17...(15) QG1 VAL 41 + H ARG 71 OK 45 95 - 47 - 5056/4.7=11, 2.1/5834=7...(13) QD1 ILE 68 + H ARG 71 OK 39 63 - 61 - 4.1/5389=34, 2.1/5834=10...(12) QD1 ILE 89 + H ARG 71 OK 18 100 - 18 - 5056/4.7=3, 5831/4.6=2 QD1 LEU 43 + H ARG 71 OK 17 81 - 21 - 5831/4.6=3, 2.1/5834=3...(5) QD2 LEU 86 + H ARG 71 OK 14 73 - 19 - 5831/4.6=3, 2.1/5367=2...(5) Peak 5837 from nnoeabs.peaks (3.63, 8.11, 117.98 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.82: HA ARG 69 + H ARG 71 OK 65 100 - 65 - 15492/4.7=30...(7) HA ILE 40 + H ARG 71 OK 24 99 - 25 - 5492/4.7=6, 296/4.6=6...(6) HA VAL 65 + H ARG 71 OK 24 100 - 24 - 296/4.6=8, 5492/4.7=5...(5) HD3 PRO 14 + H ARG 71 OK 11 97 - 11 - 296/4.6=3, 5492/4.7=2 Peak 5838 from nnoeabs.peaks (4.49, 8.11, 117.98 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.69: HA ASP 67 + H ARG 71 OK 54 97 - 57 - 5052/5.0=16, 4792/4.6=13...(11) HA ASP 24 + H ARG 71 OK 22 100 - 22 - 5052/5.0=4, 3.6/904=3...(9) HA ASP 46 + H ARG 71 OK 14 100 - 14 - 5052/5.0=4, 4792/4.6=2...(5) HA TYR 81 - H ARG 71 poor 6 63 - 10 - 5052/5.0=2, 4792/4.6=2 Peak 5839 from nnoeabs.peaks (1.39, 7.99, 106.73 ppm; 5.27 A): 3 out of 13 assignments used, quality = 0.98: HB3 ARG 69 + H GLY 72 OK 81 99 - 82 - 3.0/15492=42, 2800=11...(19) HG3 ARG 69 + H GLY 72 OK 73 97 - 76 - 3.9/15492=36, 2816=11...(20) HG3 LYS 73 + H GLY 72 OK 52 100 - 53 - 790/4.5=9, 1.8/2988=7...(15) HG2 LYS 75 - H GLY 72 OK 32 100 - 32 - 4.8/5397=6, 2.7/5841=4...(11) HG3 LYS 75 - H GLY 72 OK 32 100 - 32 - 4.8/5397=6, 2.7/5841=4...(11) HG2 LYS 85 - H GLY 72 OK 18 97 - 19 - 4.8/5397=4, 790/4.5=3...(6) HG3 LYS 39 - H GLY 72 OK 14 89 - 15 - 2.9/5841=2, 790/4.5=1...(5) QB ALA 77 - H GLY 72 lone 8 96 - 9 - ~349=1, 790/4.5=1, 2.9/5433=1 QB ALA 53 - H GLY 72 lone 8 100 - 8 - 790/4.5=1, 4962/3.0=1 QB ALA 20 - H GLY 72 lone 6 97 - 6 - QB ALA 78 - H GLY 72 lone 5 100 - 5 - 790/4.5=1 HG2 LYS 83 - H GLY 72 lone 5 85 - 5 - QB ALA 16 - H GLY 72 lone 1 63 - 2 - Peak 5840 from nnoeabs.peaks (1.62, 7.99, 106.73 ppm; 4.70 A): 2 out of 16 assignments used, quality = 0.95: HG2 ARG 71 + H GLY 72 OK 92 100 - 92 - 5.0=84, 5.0/5397=17...(10) HG3 ARG 70 + H GLY 72 OK 41 97 - 42 - 5.0/5397=17, 2.9/5842=8...(7) HD3 LYS 73 - H GLY 72 OK 35 96 - 36 - 2.9/2988=5, 3.5/5841=5...(11) HD2 LYS 73 - H GLY 72 OK 35 96 - 36 - 2.9/2988=5, 3.5/5841=5...(11) HG2 ARG 26 - H GLY 72 OK 26 100 - 27 - 3.7/312=6, 1.8/5841=3...(10) HD3 LYS 32 - H GLY 72 OK 21 97 - 21 - 2921/3.6=2, 792/4.5=2...(9) HD2 LYS 32 - H GLY 72 OK 20 96 - 21 - 2921/3.6=2, 792/4.5=2...(9) HG2 ARG 27 - H GLY 72 OK 12 98 - 12 - 1383/3.6=2, 2.9/314=2...(6) HG3 ARG 17 - H GLY 72 OK 12 100 - 12 - 2932/5.0=3, 778/4.7=1...(4) HG2 ARG 17 - H GLY 72 OK 12 100 - 12 - 2932/5.0=3, 778/4.7=1...(4) HG3 ARG 27 - H GLY 72 OK 12 97 - 12 - 1383/3.6=2, 2.9/314=2...(6) HB2 LEU 86 - H GLY 72 lone 7 99 - 7 - HG LEU 86 - H GLY 72 lone 5 73 - 7 - HG3 ARG 84 - H GLY 72 lone 5 60 - 8 - 791/4.5=1 HG2 ARG 84 - H GLY 72 lone 5 60 - 8 - 791/4.5=1 HB3 LEU 51 - H GLY 72 lone 4 76 - 5 - Peak 5841 from nnoeabs.peaks (1.77, 7.99, 106.73 ppm; 4.45 A): 4 out of 17 assignments used, quality = 0.92: HG3 ARG 71 + H GLY 72 OK 75 87 - 87 - 5.0=71, 5.0/5397=16...(9) HB3 LYS 73 + H GLY 72 OK 46 99 - 47 - 788/4.5=10, 1.8/2968=6...(14) HB3 LYS 75 + H GLY 72 OK 24 87 - 28 - 4.0/5397=5, 1.8/314=3...(10) HG3 ARG 26 + H GLY 72 OK 24 81 - 30 - 1391/3.6=6, 3.7/312=5...(10) HB3 LYS 32 - H GLY 72 OK 16 100 - 17 - 788/4.5=2, 3.0/783=2...(4) HB2 LYS 32 - H GLY 72 OK 16 100 - 17 - 788/4.5=2, 3.0/783=2...(4) HB2 LEU 62 - H GLY 72 OK 16 76 - 21 - 3.1/5055=3, 3907=3...(11) HB3 LYS 39 - H GLY 72 OK 11 95 - 11 - 1.8/314=1, 2978=1, 2.9/5839=1 HG2 PRO 34 - H GLY 72 lone 10 97 - 10 - 1723/4.4=2, 1723/4.4=2 HB2 LEU 57 - H GLY 72 lone 9 100 - 9 - 788/4.5=1, 3.0/5842=1 HB3 ARG 17 - H GLY 72 poor 8 68 - 12 - 1164/4.4=2, 1164/4.4=1...(7) HB2 PRO 34 - H GLY 72 lone 8 97 - 8 - 1709/4.4=1, 1709/4.4=1 HB2 LYS 13 - H GLY 72 lone 7 83 - 8 - 4.8/5492=2 HB ILE 33 - H GLY 72 lone 6 100 - 6 - HB2 LYS 83 - H GLY 72 lone 4 96 - 5 - HB2 ARG 54 - H GLY 72 lone 4 100 - 4 - HB3 ARG 82 - H GLY 72 lone 4 100 - 4 - Peak 5842 from nnoeabs.peaks (1.96, 7.99, 106.73 ppm; 4.60 A): 4 out of 11 assignments used, quality = 0.70: HB2 ARG 70 + H GLY 72 OK 35 99 - 35 - 4.4/5397=19, 4.1/295=8...(5) HB3 ARG 70 + H GLY 72 OK 35 99 - 35 - 4.4/5397=19, 4.1/295=8...(5) HB3 ARG 66 + H GLY 72 OK 18 81 - 23 - 306/4.7=6, 5372/3.6=3...(6) HB2 LEU 64 + H GLY 72 OK 15 98 - 15 - 4.0/261=2, 3.1/5055=2...(4) HB2 MET 31 - H GLY 72 lone 6 65 - 9 - 4.0/86=3 HG LEU 57 - H GLY 72 lone 6 99 - 6 - 3.0/5841=1 HG LEU 43 - H GLY 72 lone 5 68 - 8 - 2.1/5055=2, 2.1/5056=1 HG2 PRO 14 - H GLY 72 lone 5 78 - 7 - 2.3/5492=3 HG3 PRO 14 - H GLY 72 lone 5 78 - 7 - 2.3/5492=3 QE MET 31 - H GLY 72 lone 5 65 - 8 - 6.0/86=1 HB2 GLN 79 - H GLY 72 lone 5 100 - 5 - 16044/783=2 Peak 5845 from nnoeabs.peaks (3.50, 7.99, 106.73 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.82: HA ILE 68 + H GLY 72 OK 82 100 - 83 - 5389/4.7=26, 5985/5.0=19...(19) Peak 5847 from nnoeabs.peaks (1.60, 6.90, 112.60 ppm; 4.88 A): 0 out of 42 assignments used, low quality = 0.29: HB3 LEU 51 - HD22 ASN 80 OK 29 96 - 30 - ~6020=7, 3.0/6022=5...(9) HG3 ARG 54 - HD22 ASN 80 lone 6 58 - 10 - ~2323=2, ~2315=2...(4) HB3 LEU 62 - HD22 ASN 80 lone 5 85 - 6 - ~6020=2, 3.1/6022=2 HD3 LYS 73 - HD22 ASN 80 lone 4 96 - 4 - ~6019=1 HD2 LYS 73 - HD22 ASN 80 lone 4 96 - 4 - ~6019=1 HD3 LYS 73 - HD22 ASN 74 lone 3 99 - 3 - 2.9/6021=1 HD2 LYS 73 - HD22 ASN 74 lone 3 99 - 3 - 2.9/6021=1 HB3 LEU 51 - HD22 ASN 74 lone 3 100 - 3 - HB3 LEU 62 - HD22 ASN 74 lone 3 90 - 3 - 3.1/6022=1 HD2 LYS 39 - HD22 ASN 80 lone 2 75 - 3 - HD3 LYS 39 - HD22 ASN 80 lone 2 73 - 3 - HG LEU 86 - HD22 ASN 80 lone 2 96 - 2 - HB2 LEU 86 - HD22 ASN 80 lone 2 93 - 2 - HG3 ARG 84 - HD22 ASN 80 lone 2 92 - 2 - HG2 ARG 84 - HD22 ASN 80 lone 2 92 - 2 - HD2 LYS 32 - HD22 ASN 74 lone 2 99 - 2 - HD3 LYS 32 - HD22 ASN 74 lone 2 99 - 2 - HD2 LYS 39 - HD22 ASN 74 lone 2 81 - 2 - HD3 LYS 39 - HD22 ASN 74 lone 2 78 - 2 - HG2 ARG 71 - HD22 ASN 74 lone 2 92 - 2 - HG3 ARG 70 - HD22 ASN 80 lone 2 95 - 2 - HG3 ARG 70 - HD22 ASN 74 lone 2 99 - 2 - HB2 LEU 86 - HD22 ASN 74 lone 2 97 - 2 - HG LEU 86 - HD22 ASN 74 lone 2 99 - 2 - HD2 LYS 32 - HD22 ASN 80 lone 2 96 - 2 - HD3 LYS 32 - HD22 ASN 80 lone 2 95 - 2 - HG2 ARG 84 - HD22 ASN 74 lone 2 97 - 2 - HG3 ARG 84 - HD22 ASN 74 lone 2 97 - 2 - HG2 ARG 26 - HD22 ASN 74 lone 1 89 - 2 - HG2 ARG 17 - HD22 ASN 74 lone 1 93 - 1 - HG2 ARG 17 - HD22 ASN 80 lone 1 88 - 2 - HG3 ARG 17 - HD22 ASN 74 lone 1 92 - 1 - HG3 ARG 17 - HD22 ASN 80 lone 1 87 - 2 - HG2 ARG 71 - HD22 ASN 80 lone 1 87 - 1 - HG3 ARG 54 - HD22 ASN 74 lone 1 63 - 2 - HG2 ARG 26 - HD22 ASN 80 lone 1 83 - 1 - HB3 LEU 29 - HD22 ASN 80 lone 1 68 - 2 - HB3 LEU 29 - HD22 ASN 74 lone 1 73 - 2 - HG2 ARG 27 - HD22 ASN 74 lone 1 65 - 2 - HG3 ARG 27 - HD22 ASN 74 lone 1 63 - 2 - HG2 ARG 27 - HD22 ASN 80 lone 1 60 - 1 - HG3 ARG 27 - HD22 ASN 80 lone 1 58 - 1 - Peak 5849 from nnoeabs.peaks (1.46, 8.09, 121.69 ppm; 4.57 A): 5 out of 20 assignments used, quality = 0.87: HG3 LYS 85 + H LYS 85 OK 46 52 - 89 - 4.8=84, ~6145=6, ~3427=6...(9) HG2 LYS 73 + H LYS 75 OK 38 87 - 44 - 2.9/803=5, 2.9/804=4...(19) HG3 LYS 85 + H LYS 75 OK 35 99 - 35 - 2.9/3443=5, 3.8/3423=4...(16) HG3 LYS 13 + H LYS 75 OK 33 100 - 33 - 3464/3.0=3, 2.9/6138=3...(16) HG2 LYS 73 + H LYS 85 OK 14 41 - 36 - 3428/2.9=3, 3.8/4008=3...(18) HB3 LEU 57 - H LYS 75 lone 10 99 - 10 - 2442/4.6=5 HG3 LYS 13 - H LYS 85 poor 9 53 - 18 - 3428/2.9=3, 3448/4.0=3...(4) QB ALA 30 - H LYS 75 lone 7 92 - 7 - 1521/4.6=1 HG13 ILE 89 - H LYS 75 lone 6 81 - 8 - 3625/4.6=1, 3627/4.0=1 HB3 LEU 43 - H LYS 85 poor 6 34 - 19 - 3428/2.9=3, 3448/4.0=3...(6) HG13 ILE 89 - H LYS 85 poor 5 37 - 14 - 3448/4.0=2, 3626/3.6=2...(6) HB3 LEU 43 - H LYS 75 lone 4 76 - 6 - ~5357=1 QB ALA 63 - H LYS 75 lone 4 68 - 6 - QB ALA 30 - H LYS 85 lone 3 44 - 8 - 5539/4.6=1, 4843/4.0=1 HG12 ILE 33 - H LYS 75 lone 3 90 - 4 - HB3 LEU 52 - H LYS 75 lone 2 95 - 2 - HG12 ILE 33 - H LYS 85 lone 2 43 - 4 - HB3 LEU 57 - H LYS 85 lone 2 51 - 3 - HB3 LEU 52 - H LYS 85 lone 1 47 - 2 - QB ALA 63 - H LYS 85 lone 1 30 - 3 - Peak 5850 from nnoeabs.peaks (0.93, 8.09, 121.69 ppm; 5.59 A): 8 out of 16 assignments used, quality = 0.93: QG2 VAL 76 + H LYS 75 OK 41 98 - 42 - 3.9/5410=15, 3.2/5851=10...(10) QG1 VAL 76 + H LYS 75 OK 41 98 - 42 - 3.9/5410=15, 3.2/5851=10...(10) QG2 VAL 41 + H LYS 75 OK 39 100 - 39 - 4337/3.0=5, 4335/6033=4...(16) QG2 ILE 40 + H LYS 75 OK 33 100 - 34 - 5212/3.0=5, 4303/4.0=4...(10) HG12 ILE 68 + H LYS 75 OK 31 98 - 32 - 5.0/5825=9, 4.0/5815=6...(8) QD2 LEU 62 + H LYS 75 OK 14 100 - 14 - 5962/4.6=4, 3910/4.6=2 QD1 LEU 64 + H LYS 75 OK 12 71 - 17 - 5012/4.6=3, ~5027=2...(7) QD2 LEU 43 + H LYS 85 OK 11 44 - 25 - ~5357=5, ~4390=4...(9) QD2 LEU 43 - H LYS 75 lone 9 92 - 10 - ~5357=2, ~4390=1 QG2 VAL 41 - H LYS 85 poor 8 53 - 15 - 5625/3.6=3, 4335/6033=3 HG12 ILE 68 - H LYS 85 poor 8 50 - 16 - 5.0/5825=4, 4.0/5815=3, ~4763=2 QG2 ILE 40 - H LYS 85 poor 7 54 - 14 - 4303/4.0=2, 5212/2.9=2...(4) QG2 VAL 76 - H LYS 85 poor 6 50 - 12 - 3.9/5410=2, 3.2/5851=2...(4) QG1 VAL 76 - H LYS 85 poor 6 50 - 12 - 3.9/5410=2, 3.2/5851=2...(4) QD2 LEU 62 - H LYS 85 lone 4 54 - 8 - 2594/4.6=1 QD1 LEU 64 - H LYS 85 lone 2 31 - 7 - 5013/4.6=2 Peak 5851 from nnoeabs.peaks (3.96, 8.09, 121.69 ppm; 5.13 A): 8 out of 20 assignments used, quality = 0.89: HA VAL 76 + H LYS 75 OK 60 100 - 61 - 3.0/5410=15, ~3975=14...(10) * HA2 GLY 72 + H LYS 75 OK 37 100 - 37 - 6034=13, 1.8/6033=11...(6) HA GLN 61 + H LYS 75 OK 16 100 - 16 - 812/4.6=2, 2527/5.9=2...(6) HA ARG 66 + H LYS 75 OK 14 93 - 15 - 812/4.6=2, 4733/4.8=1...(4) HA LYS 32 + H LYS 75 OK 13 93 - 14 - 812/4.6=3, 3.0/5410=1 HA ALA 28 + H LYS 75 OK 13 100 - 13 - 3761/4.6=4, 3.6/5410=2 HA2 GLY 72 + H LYS 85 OK 13 54 - 23 - 6034=8, 1.8/6033=6...(5) HA VAL 76 + H LYS 85 OK 10 53 - 19 - 4.7/3066=6, 3.0/5410=2...(5) HA GLU 50 - H LYS 75 lone 9 100 - 9 - 812/4.6=2 HA2 GLY 21 - H LYS 75 lone 8 97 - 8 - 812/4.6=1 HA3 GLY 21 - H LYS 75 lone 8 96 - 8 - 812/4.6=1 HA THR 37 - H LYS 75 lone 5 65 - 8 - 4886/3.6=2 HA ALA 28 - H LYS 85 lone 4 53 - 8 - 1470/4.6=2, 3.6/5410=1 HA LYS 32 - H LYS 85 lone 3 46 - 7 - HA ARG 66 - H LYS 85 lone 3 46 - 7 - HA GLN 61 - H LYS 85 lone 2 54 - 3 - HA GLU 50 - H LYS 85 lone 2 54 - 3 - HA2 GLY 21 - H LYS 85 lone 2 49 - 3 - HA3 GLY 21 - H LYS 85 lone 2 48 - 3 - HA THR 37 - H LYS 85 lone 1 28 - 4 - Peak 5855 from nnoeabs.peaks (2.80, 7.96, 120.67 ppm; 5.27 A): 0 out of 3 assignments used, low quality = 0.37: HB2 ASN 74 - H VAL 76 OK 26 98 - 26 - 334/4.6=18, 5058/4.9=3...(5) HB3 ASN 74 - H VAL 76 OK 15 81 - 19 - 4.6/5410=12, 5990/3.9=1...(5) HB2 TYR 55 - H VAL 76 lone 6 100 - 6 - 334/4.6=1 Peak 5857 from nnoeabs.peaks (8.23, 8.15, 122.77 ppm; 3.94 A): 2 out of 8 assignments used, quality = 0.94: H ALA 77 + H ALA 78 OK 80 100 - 81 - 4.6=61, 3.0/354=18...(11) H GLN 79 + H ALA 78 OK 70 95 - 74 - 4.6=62, 3.6/821=17...(7) H GLU 25 - H ALA 78 lone 4 63 - 6 - 904=1 H ALA 28 - H ALA 78 lone 3 90 - 4 - H ARG 84 - H ALA 78 lone 2 57 - 4 - H SER 22 - H ALA 78 lone 2 87 - 2 - H ALA 12 - H ALA 78 lone 2 97 - 2 - H THR 15 - H ALA 78 lone 2 71 - 3 - Peak 5858 from nnoeabs.peaks (8.15, 8.23, 126.87 ppm; 4.82 A): 2 out of 6 assignments used, quality = 1.00: H ALA 78 + H ALA 77 OK 100 100 - 100 - 4.6=100 H ASN 74 + H ALA 77 OK 53 99 - 54 - ~16041=22, 3.0/6039=16...(10) H LEU 57 - H ALA 77 lone 9 100 - 9 - 4597/4.3=3, 4597/4.3=3 H ARG 26 - H ALA 77 lone 7 92 - 7 - 4.7/350=1, 4.7/350=1 H THR 88 - H ALA 77 lone 3 92 - 3 - H ILE 89 - H ALA 77 lone 1 65 - 2 - Peak 5861 from nnoeabs.peaks (0.91, 8.15, 122.77 ppm; 4.91 A): 2 out of 10 assignments used, quality = 0.69: QG2 VAL 76 + H ALA 78 OK 44 98 - 45 - 4.3/5857=16, 5437/3.6=9...(16) QG1 VAL 76 + H ALA 78 OK 44 98 - 45 - 4.3/5857=16, 5437/3.6=9...(16) QG2 ILE 40 - H ALA 78 lone 5 87 - 6 - 352/4.6=1 HG12 ILE 68 - H ALA 78 lone 5 98 - 5 - 352/4.6=1, 5437/3.6=1 QG1 VAL 90 - H ALA 78 lone 5 96 - 5 - QG2 VAL 90 - H ALA 78 lone 5 95 - 5 - QD2 LEU 62 - H ALA 78 lone 5 87 - 5 - 5962=2 QG2 VAL 41 - H ALA 78 lone 4 76 - 6 - 351/4.6=1 HG LEU 51 - H ALA 78 lone 2 83 - 3 - QD1 LEU 86 - H ALA 78 lone 2 73 - 3 - Peak 5882 from nnoeabs.peaks (4.21, 8.05, 120.90 ppm; 4.79 A): 4 out of 7 assignments used, quality = 0.84: * HA ALA 78 + H TYR 81 OK 59 100 - 59 - 15862/3.9=30...(7) HA GLN 79 + H TYR 81 OK 37 98 - 38 - 5868/4.5=12, 6050=9...(6) HA ALA 77 + H TYR 81 OK 26 65 - 39 - 15859/4.4=18...(6) HA ARG 84 + H TYR 81 OK 19 78 - 24 - 5458/3.9=3, ~6058=3...(11) HA LYS 73 - H TYR 81 poor 10 69 - 14 - 4675/4.5=3, 5458/3.9=2...(5) HA LYS 85 - H TYR 81 lone 5 76 - 7 - 5869/4.4=2, 4015/4.7=1 HB THR 37 - H TYR 81 lone 2 89 - 3 - Peak 5895 from nnoeabs.peaks (1.38, 8.27, 123.92 ppm; 5.24 A): 1 out of 13 assignments used, quality = 0.99: HG2 LYS 85 + H LEU 86 OK 99 99 - 100 - 4.7=100 HG3 LYS 39 - H LEU 86 OK 22 81 - 27 - 5206/4.8=4, 1.8/861=4...(10) HG3 LYS 73 - H LEU 86 OK 21 100 - 22 - 3427/3.6=3, 3447/4.6=3...(10) HG2 LYS 75 - H LEU 86 OK 18 99 - 18 - 3.9/385=3, 3427/3.6=3...(7) HG3 LYS 75 - H LEU 86 OK 18 99 - 18 - 3.9/385=3, 3427/3.6=3...(7) HG2 LYS 83 - H LEU 86 OK 16 92 - 18 - 2.9/5995=5, 3.7/385=4...(6) HB3 ARG 69 - H LEU 86 OK 11 97 - 11 - 2802/4.6=3, 1.8/386=2...(5) HG3 ARG 69 - H LEU 86 OK 10 99 - 10 - 2818/4.6=3, 3.0/386=1...(4) QB ALA 16 - H LEU 86 lone 7 73 - 9 - 5.0/859=2, 2.1/859=2...(4) QB ALA 20 - H LEU 86 lone 7 99 - 7 - 1239/4.6=1, 2.9/5898=1 QB ALA 77 - H LEU 86 lone 6 99 - 6 - QB ALA 78 - H LEU 86 lone 4 100 - 4 - QB ALA 53 - H LEU 86 lone 3 98 - 3 - Peak 5896 from nnoeabs.peaks (1.59, 8.31, 123.08 ppm; 5.06 A): 7 out of 20 assignments used, quality = 0.69: HG2 ARG 84 + H LYS 83 OK 20 100 - 20 - 845/4.6=5, 3.9/359=3...(5) HG3 ARG 84 + H LYS 83 OK 20 100 - 20 - 845/4.6=5, 3.9/359=3...(5) HD2 LYS 73 + H LYS 83 OK 17 90 - 19 - 3.5/3287=4, 2.9/5897=3 HD3 LYS 73 + H LYS 83 OK 17 90 - 19 - 3.5/3287=4, 2.9/5897=3 HB3 LEU 29 + H LYS 83 OK 13 93 - 14 - 3.0/359=2, 1.8/833=2...(5) HD2 LYS 39 + H LYS 83 OK 11 97 - 11 - 3.5/3287=2, 5.0/831=1...(4) HD3 LYS 39 + H LYS 83 OK 11 96 - 11 - 3.5/3287=2, 5.0/831=1...(4) HD2 LYS 32 - H LYS 83 lone 6 90 - 6 - 3.5/361=1, 3.5/361=1 HD3 LYS 32 - H LYS 83 lone 5 87 - 6 - 3.5/361=1, 3.5/361=1 HG3 ARG 54 - H LYS 83 lone 5 87 - 6 - 3.0/361=1, 3392/3.6=1 HB3 LEU 62 - H LYS 83 lone 4 99 - 4 - HG3 ARG 70 - H LYS 83 lone 3 87 - 4 - HG LEU 86 - H LYS 83 lone 3 100 - 3 - HB3 LEU 51 - H LYS 83 lone 3 100 - 3 - HG2 ARG 17 - H LYS 83 lone 3 73 - 4 - HG3 ARG 17 - H LYS 83 lone 3 71 - 4 - HG2 ARG 71 - H LYS 83 lone 2 71 - 3 - HG2 ARG 26 - H LYS 83 lone 2 65 - 3 - HB2 LEU 86 - H LYS 83 lone 2 83 - 2 - HG LEU 62 - H LYS 83 lone 2 63 - 3 - Peak 5897 from nnoeabs.peaks (1.37, 8.31, 123.08 ppm; 4.97 A): 1 out of 12 assignments used, quality = 1.00: HG2 LYS 83 + H LYS 83 OK 100 100 - 100 - 4.6=100 HG2 LYS 85 - H LYS 83 OK 38 100 - 38 - 2.9/3297=9, 3.8/831=5...(14) HG3 LYS 73 - H LYS 83 OK 23 93 - 25 - 2.9/3287=4, 2.9/5896=4...(7) HG2 LYS 75 - H LYS 83 OK 18 90 - 20 - 2.7/3287=3, 3.9/831=2...(5) HG3 LYS 75 - H LYS 83 OK 18 90 - 20 - 2.7/3287=3, 3.9/831=2...(5) QB ALA 77 - H LYS 83 OK 12 100 - 12 - 16041/6056=3, 6040/6056=3 QB ALA 20 - H LYS 83 lone 8 100 - 8 - 4.5/831=2 QB ALA 78 - H LYS 83 lone 7 93 - 7 - 5.0/359=1, 6040/6056=1 HG3 ARG 69 - H LYS 83 lone 6 100 - 6 - HB3 ARG 69 - H LYS 83 lone 5 81 - 6 - QB ALA 16 - H LYS 83 lone 4 93 - 5 - 5.0/831=1 QB ALA 53 - H LYS 83 lone 3 85 - 4 - Peak 5898 from nnoeabs.peaks (8.43, 8.27, 123.92 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.91: H GLU 87 + H LEU 86 OK 91 100 - 91 - 4.6=84, 395/3.0=17...(7) H ILE 68 - H LEU 86 lone 7 98 - 7 - 4024/3.0=2, 5818/4.0=2 H GLY 18 - H LEU 86 lone 7 71 - 9 - 4024/3.0=2, 3.6/859=2...(5) H ALA 20 - H LEU 86 lone 3 73 - 4 - Peak 5899 from nnoeabs.peaks (8.13, 8.42, 121.83 ppm; 5.04 A): 1 out of 7 assignments used, quality = 1.00: H THR 88 + H GLU 87 OK 100 100 - 100 - 4.6=100 H LYS 85 - H GLU 87 OK 22 76 - 29 - 4.7/5898=24, 4030/3.0=2 H ARG 71 - H GLU 87 OK 14 78 - 18 - 4.6/5826=5, 5389/2742=2...(5) H ARG 26 - H GLU 87 OK 14 100 - 14 - 5516/4.9=2, 4030/3.0=2 H LEU 57 - H GLU 87 lone 6 76 - 7 - 4597/4.9=2, 5747/4.6=1 H ALA 78 - H GLU 87 lone 3 83 - 4 - H ASN 74 - H GLU 87 lone 3 73 - 4 - Peak 5900 from nnoeabs.peaks (8.42, 8.13, 115.78 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: H GLU 87 + H THR 88 OK 100 100 - 100 - 4.6=100 H ALA 20 - H THR 88 OK 17 63 - 27 - 4.6/5275=5, 4.6/5901=5...(7) H ILE 68 - H THR 88 OK 15 95 - 16 - 3555/3.6=4, 3.9/5901=2...(7) H GLY 18 - H THR 88 lone 7 81 - 8 - 3.6/872=2, 3555/3.6=1 Peak 5901 from nnoeabs.peaks (1.91, 8.13, 115.78 ppm; 5.11 A): 2 out of 12 assignments used, quality = 1.00: HB3 GLU 87 + H THR 88 OK 100 100 - 100 - 4.6=100 HB2 GLU 19 + H THR 88 OK 48 100 - 49 - 3568/3.6=9, 1.8/5275=9...(12) HB ILE 68 - H THR 88 OK 18 96 - 19 - 2749/4.6=7, 3558/3.6=4...(5) HG13 ILE 68 - H THR 88 OK 16 92 - 18 - 2770/4.6=7, 3558/3.6=4...(4) HB2 GLN 91 - H THR 88 OK 16 96 - 16 - 3558/3.6=3, 3.0/873=3...(6) HB3 ARG 26 - H THR 88 poor 10 63 - 15 - 4.6/5380=5, 3.0/1390=2 HB2 ARG 26 - H THR 88 poor 9 60 - 15 - 4.6/5380=5, 3.0/1390=2 HG12 ILE 40 - H THR 88 lone 5 100 - 5 - 868/4.6=1, 3558/3.6=1 HB VAL 41 - H THR 88 lone 4 81 - 4 - HB2 MET 11 - H THR 88 lone 2 73 - 3 - HB3 PRO 14 - H THR 88 lone 2 78 - 3 - HB2 MET 31 - H THR 88 lone 2 65 - 3 - Peak 5905 from nnoeabs.peaks (2.26, 8.03, 129.89 ppm; 5.04 A): 0 out of 4 assignments used, low quality = 0.33: HG3 GLU 19 - H GLN 91 OK 13 65 - 20 - 3.0/889=6, 3.0/890=4...(6) HG2 GLU 19 - H GLN 91 OK 13 65 - 20 - 3.0/889=6, 3.0/890=4...(6) HG2 GLU 25 - H GLN 91 OK 12 100 - 12 - 4.1/419=3, 3.0/890=2...(5) HB2 PRO 14 - H GLN 91 lone 4 87 - 5 - 1.8/889=1 Peak 5906 from nnoeabs.peaks (1.99, 8.20, 114.71 ppm; 5.37 A): 6 out of 10 assignments used, quality = 0.80: HG3 PRO 14 + H THR 15 OK 37 99 - 38 - 3.8/10=35, 4390/3.0=1 HG2 PRO 14 + H THR 15 OK 37 99 - 38 - 3.8/10=35, 4390/3.0=1 HB2 LEU 64 + H THR 15 OK 20 81 - 25 - 3.1/5013=5, 3.1/5015=5...(10) HB3 MET 11 + H THR 15 OK 17 93 - 18 - 969/4.0=6, 1.8/12=4...(4) HG LEU 43 + H THR 15 OK 14 100 - 14 - 1104/4.0=4, 1111/4.0=3...(4) HB3 GLN 79 + H THR 15 OK 11 100 - 11 - 1096/3.6=1, 1.8/5867=1...(5) HG2 ARG 66 - H THR 15 poor 10 87 - 11 - 2.8/12=2, 2700/4.0=2...(5) HB2 GLN 79 - H THR 15 lone 7 68 - 10 - 1.8/3204=1, 1097/3.6=1...(4) QE MET 31 - H THR 15 lone 6 100 - 6 - HB VAL 90 - H THR 15 lone 2 68 - 2 - Peak 5908 from nnoeabs.peaks (3.17, 8.38, 120.73 ppm; 5.68 A): 2 out of 14 assignments used, quality = 1.00: HD3 ARG 17 + H ARG 17 OK 99 99 - 100 - 5.6=100 HD2 ARG 17 + H ARG 17 OK 99 99 - 100 - 5.6=100 HD2 ARG 27 - H ARG 17 OK 28 100 - 28 - 3.5/485=3, 3.5/485=3...(15) HD3 ARG 27 - H ARG 17 OK 28 100 - 28 - 3.5/485=3, 3.5/485=3...(15) HD2 ARG 26 - H ARG 17 OK 28 99 - 28 - 3.0/486=5, ~1149=3...(12) HD3 ARG 26 - H ARG 17 OK 28 99 - 28 - 3.0/486=5, ~1149=3...(12) HD2 ARG 71 - H ARG 17 OK 22 63 - 35 - 3.0/486=7, 3.5/485=6...(10) HD2 ARG 23 - H ARG 17 OK 17 100 - 16 - 1152/3.0=2, 3.5/485=2...(6) HD3 ARG 23 - H ARG 17 OK 17 100 - 16 - 1152/3.0=2, 3.5/485=2...(6) HD3 ARG 84 - H ARG 17 OK 15 85 - 18 - 3.5/486=2, 1153/3.0=2...(6) HD2 ARG 84 - H ARG 17 OK 14 81 - 18 - 3.5/486=2, 1153/3.0=2...(6) HD3 ARG 66 - H ARG 17 lone 7 85 - 9 - 6.2/271=3 HD2 ARG 66 - H ARG 17 lone 7 81 - 8 - 6.2/271=3 HD2 ARG 82 - H ARG 17 lone 4 83 - 5 - Peak 5909 from nnoeabs.peaks (0.79, 8.21, 122.47 ppm; 4.93 A): 6 out of 8 assignments used, quality = 0.93: QD1 ILE 68 + H ALA 28 OK 71 99 - 71 - 5302/2.9=34, 5377=10...(17) QG2 ILE 68 + H ALA 28 OK 50 81 - 62 - ~5302=20, ~4758=15...(11) QG1 VAL 41 + H ALA 28 OK 22 99 - 22 - 5302/2.9=6, 5928/3.0=5...(4) QD1 ILE 89 + H ALA 28 OK 17 76 - 22 - 3.1/4171=4, 5928/3.0=3...(8) QD1 ILE 89 + H ARG 84 OK 16 59 - 28 - 5403/3.0=4, ~3619=3...(14) QG1 VAL 41 + H ARG 84 OK 10 83 - 12 - 5626/3.0=3, ~5625=2, 4334/3.6=1 QD1 ILE 68 - H ARG 84 poor 9 83 - 10 - 5377=2, 4765/3.6=1 QG2 ILE 68 - H ARG 84 lone 5 63 - 8 - 2.9/5377=1 Peak 5910 from nnoeabs.peaks (2.07, 7.46, 111.22 ppm; 5.22 A): 3 out of 13 assignments used, quality = 0.97: HB3 MET 31 + HE21 GLN 61 OK 85 100 - 85 - 5931=22, 1.8/5932=15...(22) HB3 PRO 44 + HE21 GLN 61 OK 62 87 - 71 - 2.3/4068=15, ~4076=12...(17) HG2 PRO 44 + HE21 GLN 61 OK 50 71 - 71 - 1.8/4068=15, ~4076=13...(15) HG2 PRO 36 - HE21 GLN 61 OK 37 81 - 46 - 2.3/5764=14, ~4655=10...(8) HG3 PRO 36 - HE21 GLN 61 OK 35 76 - 46 - 2.3/5764=14, ~4655=10...(8) HB VAL 76 - HE21 GLN 61 poor 9 63 - 15 - 5931=3, 3.0/4064=2...(6) HB VAL 45 - HE21 GLN 61 lone 8 99 - 8 - ~4425=2, ~4422=1, 5911/1.7=1 HB3 GLU 25 - HE21 GLN 61 lone 5 87 - 5 - HB2 GLU 25 - HE21 GLN 61 lone 5 85 - 5 - HB3 GLU 59 - HE21 GLN 61 lone 4 85 - 5 - 4626/5755=3 HB2 GLU 59 - HE21 GLN 61 lone 4 85 - 5 - 4626/5755=3 HB2 PRO 56 - HE21 GLN 61 lone 4 90 - 4 - HG3 PRO 56 - HE21 GLN 61 lone 4 87 - 4 - Peak 5911 from nnoeabs.peaks (2.06, 6.83, 111.22 ppm; 5.22 A): 2 out of 16 assignments used, quality = 0.95: HB3 MET 31 + HE22 GLN 61 OK 83 97 - 87 - 4.3/5930=23, 5931/1.7=20...(21) HG2 PRO 44 + HE22 GLN 61 OK 70 96 - 74 - 1.8/4076=15, ~4068=13...(18) HB3 GLU 50 - HE22 GLN 61 OK 22 85 - 26 - 3.0/6133=7, ~2529=3...(9) HB2 GLU 50 - HE22 GLN 61 OK 22 85 - 26 - 3.0/6133=7, ~2529=3...(9) HB VAL 76 - HE22 GLN 61 OK 12 92 - 13 - 5931/1.7=2, 3.0/4072=2...(5) HB VAL 45 - HE22 GLN 61 lone 7 99 - 7 - 2.1/4425=2, 2.1/4422=1 HB3 GLU 25 - HE22 GLN 61 lone 5 100 - 5 - HB2 GLU 25 - HE22 GLN 61 lone 5 99 - 5 - HG2 PRO 56 - HE22 GLN 61 lone 3 78 - 4 - 2089/4076=1 HB3 PRO 56 - HE22 GLN 61 lone 3 63 - 4 - HB2 PRO 56 - HE22 GLN 61 lone 2 60 - 4 - HD3 ARG 69 - HE22 GLN 61 lone 2 60 - 4 - HD2 ARG 69 - HE22 GLN 61 lone 2 60 - 4 - HB3 GLU 19 - HE22 GLN 61 lone 2 81 - 2 - HB3 GLN 91 - HE22 GLN 61 lone 2 85 - 2 - HB2 GLU 87 - HE22 GLN 61 lone 2 63 - 2 - Peak 5912 from nnoeabs.peaks (1.96, 6.83, 111.22 ppm; 5.47 A): 3 out of 11 assignments used, quality = 0.97: HG LEU 57 + HE22 GLN 61 OK 85 99 - 86 - 2.1/4672=25, ~4669=20...(18) HB2 MET 31 + HE22 GLN 61 OK 58 65 - 89 - 4.3/5930=25, ~5931=18...(22) QE MET 31 + HE22 GLN 61 OK 55 65 - 83 - 5930=27, 3.3/4073=15...(18) HB2 LEU 64 - HE22 GLN 61 OK 33 98 - 34 - 5233/3.5=6, 5234/3.5=5...(8) HG LEU 43 - HE22 GLN 61 OK 17 68 - 26 - ~4381=5, ~5356=4...(8) HB2 GLN 79 - HE22 GLN 61 OK 10 100 - 10 - 6011/5.7=1, 5233/3.5=1 HB3 ARG 66 - HE22 GLN 61 poor 9 81 - 12 - 3.0/4072=2, ~4064=1...(4) HB2 ARG 70 - HE22 GLN 61 lone 6 99 - 6 - HB3 ARG 70 - HE22 GLN 61 lone 6 99 - 6 - HG3 PRO 14 - HE22 GLN 61 lone 5 78 - 6 - HG2 PRO 14 - HE22 GLN 61 lone 5 78 - 6 - Peak 5913 from nnoeabs.peaks (1.97, 7.47, 112.19 ppm; 5.49 A): 2 out of 11 assignments used, quality = 1.00: HB2 GLN 79 + HE21 GLN 79 OK 100 100 - 100 - 4.4=100 HB3 GLN 79 + HE21 GLN 79 OK 65 65 - 100 - 4.4=100 HB3 ARG 66 - HE21 GLN 79 poor 7 68 - 10 - ~5864=1, 2694/4.4=1 HG LEU 57 - HE21 GLN 79 lone 5 95 - 6 - ~4498=1 HG3 PRO 14 - HE21 GLN 79 lone 5 89 - 6 - HG2 PRO 14 - HE21 GLN 79 lone 5 89 - 6 - HB2 LEU 64 - HE21 GLN 79 lone 5 100 - 5 - HB3 ARG 70 - HE21 GLN 79 lone 4 95 - 4 - HB2 ARG 70 - HE21 GLN 79 lone 4 95 - 4 - QE MET 31 - HE21 GLN 79 lone 3 78 - 4 - HG LEU 43 - HE21 GLN 79 lone 2 81 - 3 - Peak 5914 from nnoeabs.peaks (3.05, 8.04, 122.15 ppm; 4.53 A): 3 out of 3 assignments used, quality = 0.94: HB2 TYR 81 + H ARG 82 OK 89 89 - 100 - 4.1=100 HD3 ARG 54 + H ARG 82 OK 25 81 - 31 - 1.8/5475=7, 3.6/5478=6...(8) HD2 ARG 54 + H ARG 82 OK 24 78 - 31 - 1.8/5475=7, 3.6/5478=6...(8) Peak 5915 from nnoeabs.peaks (3.15, 8.20, 122.31 ppm; 5.51 A): 2 out of 26 assignments used, quality = 0.98: HD3 ARG 84 + H ARG 84 OK 87 100 - 87 - 6.2=70, 3.5/843=12...(15) HD2 ARG 84 + H ARG 84 OK 87 99 - 87 - 6.2=70, 3.5/843=12...(15) HD2 ARG 27 - H ALA 28 OK 31 72 - 42 - 5.4/69=14, 3.5/71=8...(8) HD3 ARG 27 - H ALA 28 OK 31 72 - 42 - 5.4/69=14, 3.5/71=8...(8) HD2 ARG 26 - H ALA 28 OK 19 63 - 30 - 6.1/54=5, ~4837=4...(11) HD3 ARG 26 - H ALA 28 OK 18 61 - 30 - 6.1/54=5, ~4837=4...(11) HD3 ARG 17 - H ARG 84 OK 18 99 - 18 - 3.6/5890=2, 3390/4.0=2...(7) HD2 ARG 17 - H ARG 84 OK 18 99 - 18 - 3.6/5890=2, 3390/4.0=2...(7) HD2 ARG 71 - H ARG 84 OK 13 95 - 14 - 3389/4.0=1, 6148=1 HD2 ARG 71 - H ALA 28 OK 13 77 - 16 - 4.7/5347=2, 3.5/71=2...(6) HD3 ARG 23 - H ALA 28 OK 12 78 - 15 - 1421/3.6=2, ~5321=2...(6) HD2 ARG 23 - H ALA 28 OK 12 78 - 15 - 1421/3.6=2, ~5321=2...(6) HD2 ARG 82 - H ARG 84 OK 11 100 - 11 - 4.9/841=2, 3.6/369=1...(5) HD2 ARG 17 - H ALA 28 lone 8 83 - 10 - 5382/4.6=1, 1420/3.6=1 HD3 ARG 17 - H ALA 28 lone 8 83 - 10 - 5382/4.6=1, 1420/3.6=1 HD2 ARG 26 - H ARG 84 lone 8 81 - 9 - HD3 ARG 23 - H ARG 84 lone 8 96 - 8 - HD2 ARG 23 - H ARG 84 lone 8 96 - 8 - HD2 ARG 27 - H ARG 84 lone 8 90 - 8 - HD3 ARG 27 - H ARG 84 lone 8 90 - 8 - HD3 ARG 26 - H ARG 84 lone 7 78 - 9 - HD3 ARG 84 - H ALA 28 lone 7 85 - 8 - 3.5/5890=1, 5.1/841=1 HD2 ARG 84 - H ALA 28 lone 7 84 - 8 - 3.5/5890=1, 5.1/841=1 HD2 ARG 82 - H ALA 28 lone 4 85 - 4 - HB2 PHE 48 - H ARG 84 lone 3 60 - 6 - 4471/4.0=1 HB2 PHE 48 - H ALA 28 lone 2 45 - 4 - Peak 5916 from nnoeabs.peaks (0.84, 8.27, 123.92 ppm; 5.09 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 86 + H LEU 86 OK 100 100 - 100 - 4.8=100 QG2 ILE 89 + H LEU 86 OK 52 100 - 52 - 4040=13, 2.1/5903=10...(14) QD2 LEU 29 + H LEU 86 OK 51 99 - 52 - 3519/3.0=10, 3.1/387=7...(14) QD1 ILE 89 - H LEU 86 OK 29 65 - 44 - 3.1/4040=10, 5904/3.0=8...(12) QD1 LEU 43 - H LEU 86 OK 28 99 - 28 - 5357/3.6=6, 2032/4.6=3...(10) QD2 LEU 64 - H LEU 86 OK 21 99 - 21 - 3519/3.0=3, 2644/4.0=3...(8) QG2 ILE 68 - H LEU 86 poor 9 60 - 14 - 2756/4.6=4, 4.0/5898=2...(4) Peak 5919 from nnoeabs.peaks (0.85, 8.42, 121.83 ppm; 5.57 A): 6 out of 7 assignments used, quality = 0.94: QD2 LEU 86 + H GLU 87 OK 76 76 - 100 - 4.9=100 QD2 LEU 64 + H GLU 87 OK 30 97 - 30 - 2.1/6134=9, 3.9/6135=7...(7) QD2 LEU 29 + H GLU 87 OK 29 97 - 30 - 3519/3.6=8, 3526/4.6=5...(6) QG2 ILE 89 + H GLU 87 OK 26 93 - 28 - 4040/4.6=8, 3519/3.6=5...(7) QD1 LEU 62 + H GLU 87 OK 15 85 - 18 - 2.1/397=5, 3518/3.6=3...(6) QD1 LEU 29 + H GLU 87 OK 15 71 - 21 - 3518/3.6=5, 3.1/397=5...(5) QD1 LEU 43 - H GLU 87 poor 8 68 - 12 - 5916/4.6=2, 3519/3.6=2 Peak 5921 from nnoeabs.peaks (2.23, 8.13, 115.78 ppm; 5.42 A): 5 out of 6 assignments used, quality = 0.93: HG3 GLU 87 + H THR 88 OK 47 85 - 56 - 4.0/402=37, 3.0/4032=12...(5) HG2 GLU 87 + H THR 88 OK 46 83 - 56 - 4.0/402=37, 3.0/4032=12...(5) HG2 GLU 19 + H THR 88 OK 46 100 - 47 - 3.0/5275=8, 3.0/5901=8...(14) HG3 GLU 19 + H THR 88 OK 46 100 - 47 - 3.0/5275=8, 3.0/5901=8...(14) HG2 GLU 25 + H THR 88 OK 19 73 - 25 - 1.8/3746=6, 5517/3.0=4...(8) HG3 GLU 50 - H THR 88 lone 5 63 - 8 - 3.0/5275=1, 3.0/5275=1 Peak 5922 from nnoeabs.peaks (3.79, 8.27, 122.13 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.99: HD2 PRO 14 + H LYS 13 OK 99 99 - 100 - 4.8=100 HA LEU 52 - H LYS 13 OK 18 95 - 18 - 3.0/9=5, 3.0/471=3...(6) Peak 5923 from nnoeabs.peaks (1.89, 8.24, 125.71 ppm; 5.73 A): 1 out of 22 assignments used, quality = 1.00: HB2 MET 11 + H ALA 12 OK 100 100 - 100 - 4.1=100 HB3 PRO 14 - H ALA 12 OK 23 100 - 23 - 959/3.6=10, 969/4.1=7...(6) HB2 ARG 66 - H ALA 12 OK 12 95 - 12 - 959/3.6=4, 969/4.1=4, 2.8/4811=2 HB2 ARG 66 - H VAL 90 poor 8 47 - 17 - ~3641=3, ~5167=3...(6) HB2 MET 11 - H VAL 90 poor 6 53 - 11 - ~3641=2, ~3645=2...(4) HB ILE 68 - H ALA 12 lone 6 99 - 6 - 959/3.6=1 HB3 ARG 26 - H ALA 12 lone 5 99 - 5 - 959/3.6=1 HB2 ARG 26 - H ALA 12 lone 5 98 - 5 - 959/3.6=1 HB2 GLU 19 - H ALA 12 lone 5 81 - 6 - 3.0/464=1 HB3 ARG 26 - H VAL 90 lone 5 51 - 9 - 889/4.6=2 HB3 GLU 87 - H ALA 12 lone 5 85 - 5 - HB2 ARG 26 - H VAL 90 lone 5 50 - 9 - 889/4.6=2 HG12 ILE 40 - H ALA 12 lone 5 90 - 5 - 959/3.6=1, 969/4.1=1 HB3 PRO 34 - H ALA 12 lone 4 92 - 4 - HB2 GLN 91 - H ALA 12 lone 4 99 - 4 - HB2 GLN 91 - H VAL 90 lone 4 51 - 7 - ~3641=4 HB2 GLU 19 - H VAL 90 lone 4 37 - 10 - 889/4.6=5 HB3 GLU 87 - H VAL 90 lone 3 40 - 7 - 3667/4.6=4 HB ILE 68 - H VAL 90 lone 2 51 - 5 - HB3 PRO 14 - H VAL 90 lone 2 54 - 4 - 889/4.6=1 HB3 PRO 34 - H VAL 90 lone 1 45 - 3 - HG12 ILE 40 - H VAL 90 lone 1 43 - 3 - Peak 5987 from nnoeabs.peaks (4.00, 8.00, 120.49 ppm; 3.96 A): 0 out of 6 assignments used, low quality = 0.44: HA ARG 70 - H LYS 73 OK 27 100 - 27 - 3.6/942=6, 2.9/295=5...(7) HA LYS 32 - H LYS 73 OK 14 71 - 19 - 3.0/788=3, 3.0/788=3...(6) HA ARG 54 - H LYS 73 OK 11 99 - 11 - 5061/4.0=2, 4967/4.9=2...(5) HA ARG 66 - H LYS 73 lone 5 71 - 7 - 5378/4.5=1 HB2 SER 22 - H LYS 73 lone 2 98 - 2 - HA PHE 48 - H LYS 73 lone 2 65 - 3 - Reference assignment not found: HA LYS 73 - H LYS 73 Peak 6013 from nnoeabs.peaks (6.89, 7.55, 112.69 ppm; 2.43 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 80 + HD21 ASN 80 OK 100 100 - 100 - 1.7=100 HD22 ASN 74 - HD21 ASN 80 OK 11 99 - 11 - 6015=5, ~452=2, ~457=1...(5) Peak 6014 from nnoeabs.peaks (7.55, 7.55, 112.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 80 + HD21 ASN 80 OK 100 100 - 100 Peak 6015 from nnoeabs.peaks (7.55, 6.89, 112.69 ppm; 2.49 A): 1 out of 8 assignments used, quality = 1.00: * HD21 ASN 80 + HD22 ASN 80 OK 100 100 - 100 - 1.7=100 HD21 ASN 80 - HD22 ASN 74 OK 12 97 - 12 - 6013=5, ~452=2, ~457=2...(5) H LEU 51 - HD22 ASN 80 lone 3 93 - 3 - 3.9/5847=1 H ARG 54 - HD22 ASN 80 lone 2 92 - 2 - H LEU 43 - HD22 ASN 80 lone 1 71 - 2 - H ARG 54 - HD22 ASN 74 lone 1 87 - 1 - H LEU 43 - HD22 ASN 74 lone 1 66 - 1 - H LEU 51 - HD22 ASN 74 lone 1 88 - 1 - Peak 6016 from nnoeabs.peaks (7.55, 6.89, 112.69 ppm; 2.49 A): 1 out of 8 assignments used, quality = 1.00: * HD21 ASN 80 + HD22 ASN 80 OK 100 100 - 100 - 1.7=100 HD21 ASN 80 - HD22 ASN 74 OK 12 97 - 12 - 6013=5, ~452=2, ~457=2...(5) H LEU 51 - HD22 ASN 80 lone 3 93 - 3 - 3.9/5847=1 H ARG 54 - HD22 ASN 80 lone 2 92 - 2 - H LEU 43 - HD22 ASN 80 lone 1 71 - 2 - H ARG 54 - HD22 ASN 74 lone 1 87 - 1 - H LEU 43 - HD22 ASN 74 lone 1 66 - 1 - H LEU 51 - HD22 ASN 74 lone 1 88 - 1 - Peak 6017 from nnoeabs.peaks (2.70, 6.89, 112.69 ppm; 4.37 A): 1 out of 8 assignments used, quality = 1.00: HB2 ASN 80 + HD22 ASN 80 OK 100 100 - 100 - 3.5=100 HB2 ASN 80 - HD22 ASN 74 OK 30 97 - 30 - 5871=8, 5423/4.4=7...(8) HD2 PRO 34 - HD22 ASN 80 poor 9 87 - 11 - 5877/3.5=3, 5424/4.3=3...(4) HB2 ASP 46 - HD22 ASN 80 lone 5 99 - 5 - 6018/1.7=2 HB3 ASN 49 - HD22 ASN 80 lone 3 65 - 5 - 6018/1.7=2, ~4495=2 HD2 PRO 34 - HD22 ASN 74 lone 2 81 - 2 - HB2 ASP 46 - HD22 ASN 74 lone 1 96 - 1 - HB3 ASN 49 - HD22 ASN 74 lone 1 60 - 1 - Peak 6018 from nnoeabs.peaks (2.70, 7.55, 112.69 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: HB2 ASN 80 + HD21 ASN 80 OK 100 100 - 100 - 3.5=100 HD2 PRO 34 - HD21 ASN 80 lone 6 76 - 8 - 5877/3.5=2, 5424/4.3=2...(4) HB3 ASN 49 - HD21 ASN 80 lone 5 78 - 6 - 3.0/4495=1, 4.2/923=1 HB2 ASP 46 - HD21 ASN 80 lone 4 100 - 4 - 6017/1.7=1 Peak 6019 from nnoeabs.peaks (1.38, 7.55, 112.69 ppm; 5.10 A): 3 out of 13 assignments used, quality = 0.51: QB ALA 77 + HD21 ASN 80 OK 32 98 - 33 - 6040/4.3=12, 5874/3.5=9...(4) QB ALA 78 + HD21 ASN 80 OK 15 100 - 16 - 6040/4.3=4, 5874/3.5=4...(5) QB ALA 53 + HD21 ASN 80 OK 15 99 - 14 - 3869=2, 2.1/3868=2...(6) HG3 LYS 75 - HD21 ASN 80 lone 9 100 - 9 - 5874/3.5=2, 6021/1.7=2...(4) HG2 LYS 75 - HD21 ASN 80 lone 9 100 - 9 - 5874/3.5=2, 6021/1.7=2...(4) HG2 LYS 83 - HD21 ASN 80 lone 8 90 - 9 - 5874/3.5=2, 6041/4.3=2...(4) HG3 ARG 69 - HD21 ASN 80 lone 7 99 - 7 - 6021/1.7=1 HB3 ARG 69 - HD21 ASN 80 lone 7 97 - 7 - 6021/1.7=1, 5874/3.5=1 HG2 LYS 85 - HD21 ASN 80 lone 7 99 - 7 - 5874/3.5=2, 5879/3.5=1...(4) HG3 LYS 73 - HD21 ASN 80 lone 7 100 - 7 - 6021/1.7=1 QB ALA 20 - HD21 ASN 80 lone 6 99 - 6 - 5874/3.5=1, 6021/1.7=1 HG3 LYS 39 - HD21 ASN 80 lone 5 83 - 6 - QB ALA 16 - HD21 ASN 80 lone 2 71 - 2 - Peak 6020 from nnoeabs.peaks (0.92, 7.55, 112.69 ppm; 4.66 A): 0 out of 10 assignments used, low quality = 0.21: HG LEU 51 - HD21 ASN 80 OK 21 68 - 31 - 6022/1.7=6, ~5847=6...(8) QG2 ILE 40 - HD21 ASN 80 lone 10 96 - 10 - 6022/1.7=3, 4.4/5631=1...(4) QG2 VAL 41 - HD21 ASN 80 lone 8 89 - 9 - 6022/1.7=2, 4.0/5631=1 QG1 VAL 76 - HD21 ASN 80 lone 7 100 - 7 - 6022/1.7=2, ~6022=2 QG2 VAL 76 - HD21 ASN 80 lone 7 100 - 7 - 6022/1.7=2, ~6022=2 QD2 LEU 43 - HD21 ASN 80 poor 7 65 - 10 - 6022/1.7=2, 2.1/2030=1 QD2 LEU 62 - HD21 ASN 80 lone 7 96 - 7 - 6022/1.7=2 QG1 VAL 90 - HD21 ASN 80 lone 4 87 - 5 - 6022/1.7=2, ~6022=1 QG2 VAL 90 - HD21 ASN 80 lone 4 85 - 5 - 6022/1.7=1, ~6022=1 HG12 ILE 68 - HD21 ASN 80 lone 4 100 - 4 - 6022/1.7=1 Peak 6021 from nnoeabs.peaks (1.38, 6.89, 112.69 ppm; 5.14 A): 10 out of 26 assignments used, quality = 0.87: QB ALA 77 + HD22 ASN 74 OK 44 94 - 47 - 16041/4.4=35, 5058/3.5=6...(4) QB ALA 77 + HD22 ASN 80 OK 36 98 - 37 - 6040/4.3=12, 6019/1.7=10...(5) QB ALA 78 + HD22 ASN 80 OK 16 100 - 17 - 6019/1.7=5, 6040/4.3=4...(4) QB ALA 53 + HD22 ASN 80 OK 13 99 - 13 - 6019/1.7=5, ~3868=2...(4) HG3 LYS 73 + HD22 ASN 74 OK 12 97 - 12 - 327/5.6=4, 6041/4.4=2...(6) QB ALA 78 + HD22 ASN 74 OK 11 97 - 12 - 6040/4.4=5, 5058/3.5=2...(4) HG2 LYS 75 + HD22 ASN 80 OK 11 100 - 11 - 6019/1.7=3, ~6019=2...(4) HG3 LYS 75 + HD22 ASN 80 OK 11 100 - 11 - 6019/1.7=3, ~6019=2...(4) HG2 LYS 75 + HD22 ASN 74 OK 11 96 - 11 - 5058/3.5=4, 5057/3.5=2...(4) HG3 LYS 75 + HD22 ASN 74 OK 11 96 - 11 - 5058/3.5=4, 5057/3.5=2...(4) HG2 LYS 83 - HD22 ASN 80 lone 9 90 - 10 - 6019/1.7=2, 5874/3.5=2...(4) HG3 LYS 73 - HD22 ASN 80 lone 8 100 - 8 - 6019/1.7=2, 2.9/5847=1 HG2 LYS 85 - HD22 ASN 80 lone 8 99 - 8 - 6019/1.7=2, 5874/3.5=2...(4) HG3 ARG 69 - HD22 ASN 80 lone 8 99 - 8 - 6019/1.7=2, ~6019=1 HB3 ARG 69 - HD22 ASN 80 lone 8 97 - 8 - 6019/1.7=2, ~6019=1, 5874/3.5=1 QB ALA 20 - HD22 ASN 80 lone 7 99 - 7 - 6019/1.7=2, 5874/3.5=1 HB3 ARG 69 - HD22 ASN 74 lone 6 93 - 7 - 327/5.6=2 HG2 LYS 85 - HD22 ASN 74 lone 6 95 - 7 - 327/5.6=1, 5058/3.5=1 HG3 ARG 69 - HD22 ASN 74 lone 6 95 - 6 - 327/5.6=1 HG3 LYS 39 - HD22 ASN 80 lone 6 83 - 7 - 6019/1.7=2 HG2 LYS 83 - HD22 ASN 74 lone 5 85 - 6 - 6041/4.4=1 QB ALA 53 - HD22 ASN 74 lone 5 95 - 5 - HG3 LYS 39 - HD22 ASN 74 lone 4 77 - 5 - QB ALA 20 - HD22 ASN 74 lone 3 95 - 3 - QB ALA 16 - HD22 ASN 80 lone 2 71 - 3 - QB ALA 16 - HD22 ASN 74 lone 1 66 - 2 - Peak 6022 from nnoeabs.peaks (0.92, 6.89, 112.69 ppm; 4.34 A): 0 out of 20 assignments used, low quality = 0.42: QG2 ILE 40 - HD22 ASN 74 OK 19 91 - 21 - 3816/1.7=5, ~3815=4...(7) HG LEU 51 - HD22 ASN 80 OK 18 68 - 26 - 6020/1.7=9, 3.0/5847=7...(6) QG2 VAL 41 - HD22 ASN 74 OK 13 83 - 15 - 1979/1.7=4, ~1974=3...(5) QG2 ILE 40 - HD22 ASN 80 lone 8 96 - 8 - 6020/1.7=4 QG1 VAL 76 - HD22 ASN 80 lone 7 100 - 8 - 6020/1.7=3, ~6020=2 QG2 VAL 76 - HD22 ASN 80 lone 7 100 - 7 - 6020/1.7=3, ~6020=2 QG2 VAL 41 - HD22 ASN 80 lone 6 89 - 7 - 6020/1.7=4, ~5630=1 QD2 LEU 62 - HD22 ASN 80 lone 6 96 - 6 - 6020/1.7=3, 3.1/5847=1 QD2 LEU 43 - HD22 ASN 80 lone 6 65 - 9 - 6020/1.7=3, ~2030=1 QG1 VAL 90 - HD22 ASN 80 lone 4 87 - 5 - 6020/1.7=2, ~6020=1 QG2 VAL 90 - HD22 ASN 80 lone 4 85 - 5 - 6020/1.7=2, ~6020=1 QD2 LEU 62 - HD22 ASN 74 lone 4 91 - 5 - 5962/5.6=2 HG12 ILE 68 - HD22 ASN 74 lone 3 97 - 4 - ~5041=1 QG1 VAL 76 - HD22 ASN 74 lone 3 97 - 3 - 5990/3.5=1 QG2 VAL 76 - HD22 ASN 74 lone 3 97 - 3 - 5990/3.5=1 QG1 VAL 90 - HD22 ASN 74 lone 3 81 - 4 - ~6078=2 QG2 VAL 90 - HD22 ASN 74 lone 3 79 - 4 - ~6078=2 HG12 ILE 68 - HD22 ASN 80 lone 3 100 - 3 - 6020/1.7=2 HG LEU 51 - HD22 ASN 74 lone 2 63 - 3 - QD2 LEU 43 - HD22 ASN 74 lone 1 60 - 2 - Peak 6023 from nnoeabs.peaks (2.75, 7.55, 112.69 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: HB3 ASN 80 + HD21 ASN 80 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 - HD21 ASN 80 OK 15 63 - 25 - 5881=5, 3.5/6013=4...(9) HB2 ASN 42 - HD21 ASN 80 OK 11 100 - 10 - 6024/1.7=2, ~6024=1 HB3 ASN 42 - HD21 ASN 80 OK 11 99 - 10 - 6024/1.7=2, ~6024=1 Peak 6024 from nnoeabs.peaks (2.76, 6.89, 112.69 ppm; 4.19 A): 2 out of 8 assignments used, quality = 1.00: HB3 ASN 80 + HD22 ASN 80 OK 100 100 - 100 - 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 66 66 - 100 - 3.5=100 HB3 ASN 80 - HD22 ASN 74 OK 23 97 - 23 - 1.8/6017=7, 5880=4...(6) HB3 ASN 74 - HD22 ASN 80 OK 18 71 - 25 - 5881/1.7=5, 3.5/452=4...(8) HB2 ASN 42 - HD22 ASN 80 OK 13 100 - 13 - 6023/1.7=3, ~6023=2...(6) HB3 ASN 42 - HD22 ASN 80 OK 13 100 - 13 - 6023/1.7=3, ~6023=2...(6) HB2 ASN 42 - HD22 ASN 74 lone 8 97 - 8 - 2000/1.7=1, ~450=1, ~1988=1 HB3 ASN 42 - HD22 ASN 74 lone 8 97 - 8 - 2000/1.7=1, ~450=1, ~1988=1 Peak 6039 from nnoeabs.peaks (4.62, 8.23, 126.87 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.87: HA ASN 80 + H ALA 77 OK 66 99 - 67 - ~15859=21, ~5859=15...(11) * HA ASN 74 + H ALA 77 OK 63 100 - 63 - 16041/2.9=44...(11) HA PRO 36 - H ALA 77 lone 3 98 - 3 - Peak 6056 from nnoeabs.peaks (4.63, 8.31, 123.08 ppm; 5.17 A): 0 out of 3 assignments used, low quality = 0.37: HA ASN 80 - H LYS 83 OK 29 97 - 30 - 6055/4.0=10, ~6154=5...(9) HA ASN 74 - H LYS 83 OK 11 89 - 12 - 6055/4.0=5, 6053/4.0=1 HA PRO 36 - H LYS 83 lone 2 68 - 3 - Peak 6057 from nnoeabs.peaks (4.47, 8.20, 122.31 ppm; 5.02 A): 3 out of 12 assignments used, quality = 0.59: HA ASP 24 + H ALA 28 OK 40 78 - 51 - 5383/4.6=15, 3739=8...(10) HA TYR 81 + H ARG 84 OK 21 92 - 23 - 6058/4.0=5, 6060=4...(9) HA ASP 67 + H ALA 28 OK 15 86 - 17 - 5383/4.6=3, ~5303=2...(8) HA ASP 24 - H ARG 84 lone 9 96 - 9 - 3.0/903=1, 3739=1, 3.0/3740=1 HA SER 22 - H ALA 28 poor 8 50 - 16 - 5503/3.6=3, 3.0/1252=2...(5) HA ASP 67 - H ARG 84 lone 7 100 - 7 - 6058/4.0=2 HA SER 22 - H ARG 84 lone 6 65 - 10 - 5501/4.6=2, 6060=1...(5) HA ASP 46 - H ALA 28 lone 5 69 - 8 - 5383/4.6=2, ~5533=1 HA PRO 14 - H ALA 28 lone 5 65 - 7 - 2.3/5092=1, ~4837=1 HA PRO 14 - H ARG 84 lone 4 83 - 4 - 6058/4.0=1 HA TYR 81 - H ALA 28 lone 3 74 - 4 - HA ASP 46 - H ARG 84 lone 3 87 - 4 - Peak 6063 from nnoeabs.peaks (2.04, 7.27, 119.22 ppm; 3.91 A): 4 out of 16 assignments used, quality = 0.95: HG2 PRO 44 + H ASP 47 OK 69 98 - 70 - 1.8/6064=20, 2.3/4393=16...(13) HB2 GLU 50 + H ASP 47 OK 47 100 - 47 - 3.9/6130=11, 4510/3.0=9...(12) HB3 GLU 50 + H ASP 47 OK 47 100 - 47 - 3.9/6130=11, 4510/3.0=9...(12) HB VAL 45 + H ASP 47 OK 40 65 - 61 - 4.4/919=18, 2.1/4424=16...(14) HG2 PRO 56 - H ASP 47 OK 26 100 - 26 - 1.8/4431=4, 2.3/4427=4...(8) HB3 PRO 56 - H ASP 47 OK 23 99 - 23 - 1.8/4431=4, 2.3/4431=4...(7) HB2 GLU 25 - H ASP 47 lone 6 92 - 6 - HB3 GLU 25 - H ASP 47 lone 6 90 - 6 - HB VAL 76 - H ASP 47 lone 4 99 - 4 - HD3 ARG 69 - H ASP 47 lone 4 99 - 4 - HD2 ARG 69 - H ASP 47 lone 4 99 - 4 - HB2 GLU 87 - H ASP 47 lone 3 99 - 3 - HB3 GLU 19 - H ASP 47 lone 2 100 - 2 - HB3 GLN 91 - H ASP 47 lone 2 100 - 2 - HB VAL 90 - H ASP 47 lone 1 83 - 1 - HG2 ARG 66 - H ASP 47 lone 1 63 - 1 - Peak 6064 from nnoeabs.peaks (2.14, 7.27, 119.22 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.82: HG3 PRO 44 + H ASP 47 OK 67 100 - 67 - 2.3/4393=17, 4395=16...(10) HB ILE 40 + H ASP 47 OK 22 89 - 25 - 1929=4, 2.1/1936=4...(8) HB2 PRO 36 + H ASP 47 OK 16 90 - 18 - 1.8/4392=3, 2.3/4431=2...(9) HG3 GLN 61 + H ASP 47 OK 14 81 - 18 - 1.8/638=6, 3.0/170=3...(4) Peak 6074 from nnoeabs.peaks (4.13, 8.03, 129.89 ppm; 6.50 A): 1 out of 7 assignments used, quality = 1.00: HA GLN 91 + H GLN 91 OK 100 100 - 100 - 2.9=100 HA ASN 49 - H GLN 91 lone 10 100 - 10 - ~2168=2, ~2174=1...(5) HB THR 88 - H GLN 91 lone 8 93 - 9 - ~3587=2, ~3595=1...(4) HA ALA 30 - H GLN 91 lone 7 100 - 7 - 3676/3.6=1, 3668/3.6=1 HA LEU 29 - H GLN 91 lone 6 65 - 10 - 1481/4.1=1, 1481/4.1=1 HA ARG 27 - H GLN 91 lone 6 87 - 7 - 3676/3.6=1 HA ARG 23 - H GLN 91 lone 6 99 - 6 - Peak 6076 from nnoeabs.peaks (1.56, 7.24, 115.36 ppm; 5.35 A): 5 out of 11 assignments used, quality = 0.98: HG2 LYS 39 + H ILE 40 OK 68 93 - 73 - 4.9/127=29, 2.9/129=23...(10) HB3 ARG 54 + H ILE 40 OK 58 93 - 62 - 5306=14, 1.8/5307=13...(16) HG3 ARG 54 + H ILE 40 OK 51 93 - 55 - 1.8/5949=13, 3.0/5307=11...(15) HD3 LYS 39 + H ILE 40 OK 50 83 - 60 - 6.2/127=22, 3.5/129=21...(8) HD2 LYS 39 + H ILE 40 OK 48 81 - 60 - 6.2/127=22, 3.5/129=21...(8) HG LEU 62 - H ILE 40 OK 34 100 - 34 - 4.3/4308=5, 2.1/604=4...(14) HG LEU 64 - H ILE 40 OK 33 78 - 43 - 1836/3.6=8, 595/4.6=6...(14) HB3 LEU 62 - H ILE 40 OK 20 68 - 29 - 3.0/4308=6, 3.1/604=4...(11) HB3 LEU 86 - H ILE 40 OK 15 100 - 15 - 1836/3.6=2, 1846/4.4=2...(4) HG3 ARG 23 - H ILE 40 OK 12 81 - 14 - 1836/3.6=3, 595/4.6=2...(5) HB3 LEU 29 - H ILE 40 lone 8 87 - 9 - Peak 6077 from nnoeabs.peaks (1.40, 7.24, 115.36 ppm; 5.42 A): 3 out of 12 assignments used, quality = 0.95: HG3 LYS 39 + H ILE 40 OK 74 100 - 74 - 4.9/127=30, 2.9/129=23...(12) HB3 ARG 69 + H ILE 40 OK 66 99 - 67 - 4302/4.0=13, 2801/3.0=12...(18) HG3 ARG 69 + H ILE 40 OK 43 71 - 61 - 2817/3.0=9, 3.9/602=8...(16) HG2 LYS 75 - H ILE 40 OK 36 96 - 38 - 1837/3.6=8, 2.7/3806=7...(9) HG3 LYS 75 - H ILE 40 OK 36 96 - 38 - 1837/3.6=8, 2.7/3806=7...(9) QB ALA 53 - H ILE 40 OK 30 98 - 31 - 3.6/207=8, 2.1/2293=4...(9) HG2 LYS 13 - H ILE 40 OK 19 78 - 25 - 1837/3.6=3, ~4819=3...(10) HG3 LYS 73 - H ILE 40 OK 16 93 - 18 - 1837/3.6=3, 596/4.6=2...(6) HG2 LYS 85 - H ILE 40 lone 7 73 - 10 - 2.9/3807=1 QB ALA 20 - H ILE 40 lone 7 73 - 9 - 4.8/4308=2, 4.8/4308=2 QB ALA 78 - H ILE 40 lone 4 93 - 4 - QB ALA 77 - H ILE 40 lone 3 68 - 5 - Peak 6078 from nnoeabs.peaks (4.08, 7.61, 112.60 ppm; 5.09 A): 0 out of 5 assignments used, low quality = 0.30: HA ARG 71 - HD21 ASN 74 OK 18 100 - 19 - 6010/3.5=8, 5836/3.5=8 HA ARG 26 - HD21 ASN 74 OK 14 96 - 15 - 6010/3.5=7, 6009/3.5=6 HA GLU 25 - HD21 ASN 74 lone 9 99 - 9 - 6010/3.5=4, 5836/3.5=4 HA VAL 90 - HD21 ASN 74 lone 5 100 - 5 - 6009/3.5=2, 6010/3.5=1 HA ALA 63 - HD21 ASN 74 lone 3 85 - 3 - Peak 6079 from nnoeabs.peaks (7.08, 8.04, 122.15 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: QD TYR 81 + H ARG 82 OK 100 100 - 100 - 4.3=100 QD PHE 48 - H ARG 82 OK 30 92 - 33 - 5463/4.1=10, 5462/4.1=9...(6) Peak 6119 from nnoeabs.peaks (1.75, 7.71, 115.23 ppm; 5.02 A): 8 out of 16 assignments used, quality = 0.93: HB2 LEU 57 + H MET 31 OK 39 89 - 44 - 4600/4.7=10, 2439/4.0=7...(11) HB2 LEU 62 + H MET 31 OK 32 100 - 32 - 5777=7, 3907/4.5=6...(7) HB ILE 33 + H MET 31 OK 31 85 - 36 - 3.9/5544=12, 3.2/5550=10...(7) HB3 LYS 32 + H MET 31 OK 31 73 - 42 - 4.0/89=21, 4.3/5544=12...(4) HB2 LYS 32 + H MET 31 OK 31 73 - 42 - 4.0/89=21, 4.3/5544=12...(4) HB2 ARG 54 + H MET 31 OK 24 90 - 26 - 1.8/3872=4, 3.0/5705=4...(6) HB2 LEU 43 + H MET 31 OK 21 71 - 30 - 3.1/4192=7, 1.8/88=6...(6) HG2 PRO 34 + H MET 31 OK 11 97 - 11 - 4860/5550=2, 4246/2373=1 HG3 ARG 71 - H MET 31 lone 8 100 - 8 - 4843/3.6=3, 5.0/86=2 HG3 ARG 26 - H MET 31 lone 7 100 - 7 - 4843/3.6=3 HB3 LYS 73 - H MET 31 lone 6 63 - 9 - 4.0/86=2, 3.0/5526=2 HB2 ARG 84 - H MET 31 lone 4 76 - 6 - 4843/3.6=2 HB2 PRO 34 - H MET 31 lone 4 57 - 7 - HB3 LYS 85 - H MET 31 lone 4 65 - 6 - 4843/3.6=1, 2.9/88=1 HB3 ARG 17 - H MET 31 lone 3 99 - 3 - HB3 ARG 82 - H MET 31 lone 3 90 - 3 - Peak 6130 from nnoeabs.peaks (7.72, 7.27, 119.22 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.91: H GLU 50 + H ASP 47 OK 83 100 - 83 - 4506/3.0=29, 4.5/4491=19...(15) H ASN 42 + H ASP 47 OK 34 99 - 34 - 5633=9, 4452/4.6=7...(7) H MET 31 + H ASP 47 OK 21 89 - 24 - 4454/3.0=4, 4452/4.6=4...(7) Peak 6138 from nnoeabs.peaks (1.66, 8.09, 121.69 ppm; 5.03 A): 2 out of 16 assignments used, quality = 0.98: HD2 LYS 75 + H LYS 75 OK 87 100 - 87 - 5.9=63, 3.5/803=14...(19) HD3 LYS 75 + H LYS 75 OK 87 100 - 87 - 5.9=63, 3.5/803=14...(19) HD3 LYS 13 - H LYS 75 OK 37 100 - 37 - 3073/3.0=6, 2.9/5849=5...(13) HD2 LYS 13 - H LYS 75 OK 37 100 - 37 - 3073/3.0=6, 2.9/5849=5...(13) HB3 LYS 13 - H LYS 75 OK 25 89 - 29 - 3.0/5849=5, 3073/3.0=4...(12) HD3 LYS 75 - H LYS 85 OK 14 54 - 27 - 4.7/3066=6, 3.5/3076=4...(12) HD2 LYS 75 - H LYS 85 OK 14 54 - 27 - 4.7/3066=6, 3.5/3076=4...(12) HG LEU 29 - H LYS 75 OK 10 97 - 10 - 1497/4.6=2, 4.9/5410=2 HB3 LYS 13 - H LYS 85 poor 9 42 - 21 - 1009/4.7=3, 1014/4.8=3...(9) HG2 ARG 23 - H LYS 75 lone 8 99 - 8 - 3072/3.0=1, 3.0/803=1, 3.0/803=1 HD3 LYS 13 - H LYS 85 poor 8 54 - 14 - ~3428=2, 2.9/5849=2...(5) HD2 LYS 13 - H LYS 85 poor 8 54 - 14 - ~3428=2, 2.9/5849=2...(5) HG LEU 29 - H LYS 85 poor 7 49 - 14 - 1498/3.6=3, 1499/4.6=3...(4) HB3 GLN 61 - H LYS 75 lone 6 100 - 6 - 3.0/5851=2 HG2 ARG 23 - H LYS 85 lone 1 52 - 3 - HB3 GLN 61 - H LYS 85 lone 1 53 - 2 - Peak 6154 from nnoeabs.peaks (4.23, 8.28, 119.06 ppm; 3.86 A): 4 out of 12 assignments used, quality = 0.65: HA ALA 77 + H ASN 80 OK 44 100 - 44 - 15859/3.8=22...(7) HA LYS 83 + H ASN 80 OK 21 97 - 22 - ~6056=7, ~6055=4, 4015=3...(7) HA LYS 85 + H ASN 80 OK 12 100 - 11 - 4015=3, ~6055=2...(5) HA ALA 78 + H ASN 80 OK 10 65 - 16 - 5859/3.8=4, 6046/3.8=3...(6) HA LYS 75 - H ASN 80 lone 7 97 - 7 - ~333=2, ~3972=2...(4) HA LYS 39 - H ASN 80 lone 3 89 - 3 - HA ALA 20 - H ASN 80 lone 2 63 - 3 - HB THR 37 - H ASN 80 lone 2 97 - 2 - HA THR 15 - H ASN 80 lone 2 95 - 2 - HA ALA 12 - H ASN 80 lone 2 71 - 2 - HA LEU 64 - H ASN 80 lone 1 65 - 2 - HA GLU 19 - H ASN 80 lone 1 73 - 1 - Peak 958 from cnoeabs.peaks (4.38, 4.38, 55.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 959 from cnoeabs.peaks (1.88, 4.38, 55.13 ppm; 4.29 A): 2 out of 12 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 14 + HA MET 11 OK 46 100 - 46 - 969/3.0=6, 974/3.7=6...(21) HB2 ARG 66 - HA MET 11 OK 21 98 - 21 - 969/3.0=4, 2.8/960=3...(9) HB3 ARG 26 - HA MET 11 lone 5 100 - 5 - HB2 ARG 26 - HA MET 11 lone 5 100 - 5 - HG12 ILE 40 - HA MET 11 lone 5 83 - 6 - 974/3.7=1 HB ILE 68 - HA MET 11 lone 5 96 - 5 - HB3 PRO 34 - HA MET 11 lone 4 97 - 4 - HB3 GLU 87 - HA MET 11 lone 4 76 - 5 - HB2 GLN 91 - HA MET 11 lone 2 96 - 2 - HB2 GLU 19 - HA MET 11 lone 2 71 - 2 - HB2 LYS 39 - HA MET 11 lone 1 57 - 1 - Peak 960 from cnoeabs.peaks (2.01, 4.38, 55.13 ppm; 3.58 A): 1 out of 12 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HG3 PRO 14 - HA MET 11 OK 25 78 - 33 - 2.3/959=6, 965/3.0=5...(19) HG2 PRO 14 - HA MET 11 OK 25 78 - 33 - 2.3/959=6, 965/3.0=5...(19) HG2 ARG 66 - HA MET 11 OK 13 100 - 13 - 965/3.0=2, 2.8/959=2...(5) HB VAL 90 - HA MET 11 lone 8 96 - 8 - 968=1, 965/3.0=1, 971/3.7=1 HB2 GLU 87 - HA MET 11 lone 2 71 - 3 - HG LEU 43 - HA MET 11 lone 2 87 - 2 - HB3 GLN 79 - HA MET 11 lone 2 96 - 2 - HD3 ARG 69 - HA MET 11 lone 1 73 - 2 - HD2 ARG 69 - HA MET 11 lone 1 73 - 2 - QE MET 31 - HA MET 11 lone 1 89 - 1 - HB3 PRO 56 - HA MET 11 lone 1 71 - 1 - Peak 963 from cnoeabs.peaks (4.38, 1.88, 32.87 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA ASP 47 - HB2 MET 11 OK 30 97 - 31 - 968/1.8=9, 4934/3.0=7...(8) Peak 964 from cnoeabs.peaks (1.88, 1.88, 32.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 965 from cnoeabs.peaks (2.01, 1.88, 32.87 ppm; 2.83 A): 1 out of 12 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 HG3 PRO 14 - HB2 MET 11 OK 25 78 - 33 - 2.3/1102=4, 2.3/1088=3...(17) HG2 PRO 14 - HB2 MET 11 OK 25 78 - 33 - 2.3/1102=4, 2.3/1088=3...(17) HG2 ARG 66 - HB2 MET 11 OK 13 100 - 13 - ~2710=1, 960/3.0=1...(4) HB VAL 90 - HB2 MET 11 lone 6 96 - 6 - 969=1 HB2 GLU 87 - HB2 MET 11 lone 2 71 - 2 - HG LEU 43 - HB2 MET 11 lone 1 87 - 2 - HB3 GLN 79 - HB2 MET 11 lone 1 96 - 1 - HD3 ARG 69 - HB2 MET 11 lone 1 73 - 1 - HD2 ARG 69 - HB2 MET 11 lone 1 73 - 1 - QE MET 31 - HB2 MET 11 lone 1 89 - 1 - HB3 PRO 56 - HB2 MET 11 lone 0 71 - 1 - Peak 966 from cnoeabs.peaks (2.45, 1.88, 32.87 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 36 - HB2 MET 11 OK 27 100 - 26 - 971/1.8=8, 6111/3.0=4...(8) Peak 967 from cnoeabs.peaks (2.39, 1.88, 32.87 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HB VAL 65 + HB2 MET 11 OK 53 100 - 54 - 972/1.8=11, 977/3.0=8...(13) HG2 GLU 50 - HB2 MET 11 OK 17 83 - 20 - 4511/3.0=7, 972/1.8=4...(6) HG2 GLU 59 - HB2 MET 11 lone 6 99 - 6 - 972/1.8=1, 6110/3.0=1 Peak 968 from cnoeabs.peaks (4.38, 2.01, 32.87 ppm; 4.91 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA ASP 47 - HB3 MET 11 OK 28 97 - 28 - 963/1.8=9, 4934/3.0=6...(8) HA MET 11 - HB VAL 90 poor 9 65 - 14 - 960=2, 3.7/971=2...(7) HA ASP 47 - HB VAL 90 lone 2 59 - 3 - Peak 969 from cnoeabs.peaks (1.88, 2.01, 32.87 ppm; 3.00 A): 1 out of 24 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 HB3 PRO 14 - HB3 MET 11 OK 29 100 - 30 - 974/3.0=3, 959/3.0=3...(16) HB2 ARG 66 - HB3 MET 11 OK 17 98 - 18 - 2.8/2710=2, 2686=2...(7) HB2 ARG 66 - HB VAL 90 poor 6 61 - 11 - 2.8/2710=1 HB2 MET 11 - HB VAL 90 lone 5 65 - 7 - 965=2 HG12 ILE 40 - HB3 MET 11 lone 4 83 - 5 - ~4304=1 HB3 ARG 26 - HB3 MET 11 lone 4 100 - 4 - HB2 ARG 26 - HB3 MET 11 lone 4 100 - 4 - HB ILE 68 - HB3 MET 11 lone 3 96 - 3 - HB3 PRO 34 - HB3 MET 11 lone 2 97 - 2 - HB3 GLU 87 - HB3 MET 11 lone 2 76 - 3 - HB3 ARG 26 - HB VAL 90 lone 2 64 - 3 - HB2 ARG 26 - HB VAL 90 lone 2 64 - 3 - HB2 GLN 91 - HB3 MET 11 lone 1 96 - 1 - HB2 GLN 91 - HB VAL 90 lone 1 58 - 2 - HB ILE 68 - HB VAL 90 lone 1 58 - 2 - HB2 GLU 19 - HB VAL 90 lone 1 39 - 3 - 889/4.4=1 HB3 GLU 87 - HB VAL 90 lone 1 42 - 2 - HB2 GLU 19 - HB3 MET 11 lone 1 71 - 1 - HB3 PRO 14 - HB VAL 90 lone 1 65 - 1 - HB2 LYS 39 - HB3 MET 11 lone 0 57 - 1 - HB3 PRO 34 - HB VAL 90 lone 0 59 - 1 - HG12 ILE 40 - HB VAL 90 lone 0 47 - 1 - HB2 LYS 39 - HB VAL 90 lone 0 30 - 1 - Peak 970 from cnoeabs.peaks (2.01, 2.01, 32.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 HB VAL 90 + HB VAL 90 OK 58 58 - 100 Peak 971 from cnoeabs.peaks (2.45, 2.01, 32.87 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 36 - HB3 MET 11 OK 31 100 - 31 - 966/1.8=9, 6111/3.0=5...(10) HG2 MET 11 - HB VAL 90 poor 9 65 - 14 - 975=2, 1.8/972=2...(7) HB3 PRO 36 - HB VAL 90 lone 1 65 - 2 - Peak 972 from cnoeabs.peaks (2.39, 2.01, 32.87 ppm; 4.63 A): 2 out of 8 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HB VAL 65 + HB3 MET 11 OK 51 100 - 51 - 967/1.8=11, 977/3.0=8...(13) HG2 GLU 50 - HB3 MET 11 OK 17 83 - 20 - 4511/3.0=7, 967/1.8=4...(6) HG3 MET 11 - HB VAL 90 poor 10 65 - 15 - 1.8/971=2, 3.7/968=2...(8) HG2 GLU 59 - HB3 MET 11 lone 6 99 - 6 - 967/1.8=1, 6110/3.0=1 HB VAL 65 - HB VAL 90 lone 3 65 - 5 - 4.4/743=2 HG2 GLU 50 - HB VAL 90 lone 1 47 - 3 - HG2 GLU 59 - HB VAL 90 lone 1 62 - 2 - Peak 973 from cnoeabs.peaks (4.38, 2.45, 31.51 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.7=100 HA ASP 47 - HG2 MET 11 OK 24 97 - 25 - 963/3.0=8, 4934/1.8=8, 968/3.0=8 Peak 974 from cnoeabs.peaks (1.88, 2.45, 31.51 ppm; 4.07 A): 1 out of 12 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HB3 PRO 14 - HG2 MET 11 OK 44 100 - 45 - 969/3.0=6, 2.3/975=6...(22) HB2 ARG 66 - HG2 MET 11 OK 19 98 - 20 - 969/3.0=4, 2.8/975=3...(10) HG12 ILE 40 - HG2 MET 11 lone 8 83 - 9 - ~4304=3 HB ILE 68 - HG2 MET 11 lone 5 96 - 5 - HB3 ARG 26 - HG2 MET 11 lone 5 100 - 5 - HB2 ARG 26 - HG2 MET 11 lone 5 100 - 5 - HB3 PRO 34 - HG2 MET 11 lone 4 97 - 4 - HB3 GLU 87 - HG2 MET 11 lone 3 76 - 4 - HB2 GLN 91 - HG2 MET 11 lone 2 96 - 2 - HB2 GLU 19 - HG2 MET 11 lone 1 71 - 2 - HB2 LYS 39 - HG2 MET 11 lone 1 57 - 2 - Peak 975 from cnoeabs.peaks (2.01, 2.45, 31.51 ppm; 4.01 A): 1 out of 12 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 HG3 PRO 14 - HG2 MET 11 OK 34 78 - 44 - 2.3/974=7, 965/3.0=6...(22) HG2 PRO 14 - HG2 MET 11 OK 34 78 - 44 - 2.3/974=7, 965/3.0=6...(22) HG2 ARG 66 - HG2 MET 11 OK 17 100 - 17 - 2.8/974=3, 965/3.0=3...(8) HB VAL 90 - HG2 MET 11 poor 10 96 - 10 - 971=2, 972/1.8=2...(4) HB2 GLU 87 - HG2 MET 11 lone 3 71 - 4 - HG LEU 43 - HG2 MET 11 lone 2 87 - 2 - HD3 ARG 69 - HG2 MET 11 lone 2 73 - 3 - HD2 ARG 69 - HG2 MET 11 lone 2 73 - 3 - HB3 GLN 79 - HG2 MET 11 lone 2 96 - 2 - QE MET 31 - HG2 MET 11 lone 1 89 - 2 - HB3 PRO 56 - HG2 MET 11 lone 1 71 - 1 - Peak 976 from cnoeabs.peaks (2.45, 2.45, 31.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 977 from cnoeabs.peaks (2.39, 2.45, 31.51 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HB VAL 65 - HG2 MET 11 OK 21 100 - 21 - 981=8, ~2666=2, ~2671=2...(8) HG2 GLU 50 - HG2 MET 11 lone 3 83 - 4 - 4511/3.7=1 HG2 GLU 59 - HG2 MET 11 lone 1 99 - 1 - Peak 978 from cnoeabs.peaks (4.38, 2.39, 31.51 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.7=100 HA MET 11 - HB VAL 65 OK 42 100 - 43 - 3.0/967=13, 3.0/972=12...(6) HA ASP 47 - HG3 MET 11 OK 33 97 - 34 - 963/3.0=9, 4934=9...(5) HA ASP 47 - HB VAL 65 lone 8 96 - 8 - 4934=2, 963/967=1 Peak 979 from cnoeabs.peaks (1.88, 2.39, 31.51 ppm; 4.68 A): 6 out of 24 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HG12 ILE 40 + HB VAL 65 OK 71 83 - 86 - ~5033=20, ~5035=20...(23) HB ILE 68 + HB VAL 65 OK 69 95 - 72 - ~5964=11, 4750/3.0=10...(19) HB2 MET 11 + HB VAL 65 OK 56 100 - 57 - 967=14, 1.8/972=11...(13) HB3 PRO 14 + HG3 MET 11 OK 55 100 - 56 - 974/1.8=10, 959/3.7=7...(22) HB2 ARG 66 + HB VAL 65 OK 48 98 - 50 - 4.0/273=21, ~5244=9...(10) HB2 ARG 66 - HG3 MET 11 OK 34 98 - 34 - 4.0/3921=10, 974/1.8=4...(13) HB3 PRO 14 - HB VAL 65 OK 29 100 - 29 - 1113/3.0=5, ~1106=3...(13) HB3 PRO 34 - HB VAL 65 OK 15 96 - 16 - ~5035=4, ~5033=4...(5) HG12 ILE 40 - HG3 MET 11 OK 14 83 - 17 - 2.1/4304=4, 974/1.8=2...(6) HB ILE 68 - HG3 MET 11 OK 11 96 - 11 - 4750/2656=1, 974/1.8=1 HB3 ARG 26 - HB VAL 65 lone 8 100 - 8 - 2682/4.4=4 HB2 ARG 26 - HB VAL 65 lone 8 100 - 8 - 2682/4.4=4 HB3 ARG 26 - HG3 MET 11 lone 8 100 - 8 - 974/1.8=1 HB2 ARG 26 - HG3 MET 11 lone 8 100 - 8 - 974/1.8=1 HB3 PRO 34 - HG3 MET 11 lone 6 97 - 6 - 974/1.8=1 HB3 GLU 87 - HG3 MET 11 lone 5 76 - 6 - HB2 GLN 91 - HG3 MET 11 lone 3 96 - 3 - HB2 LYS 39 - HB VAL 65 lone 3 57 - 5 - ~5032=1 HB3 GLU 87 - HB VAL 65 lone 2 76 - 3 - HB2 GLN 91 - HB VAL 65 lone 2 95 - 2 - HB2 GLU 19 - HG3 MET 11 lone 2 71 - 3 - HB2 GLU 19 - HB VAL 65 lone 2 71 - 3 - HB2 LYS 39 - HG3 MET 11 lone 1 57 - 2 - Peak 980 from cnoeabs.peaks (2.01, 2.39, 31.51 ppm; 4.92 A): 4 out of 24 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HB VAL 65 OK 59 100 - 59 - 972=13, 1.8/967=13...(13) HG3 PRO 14 + HG3 MET 11 OK 47 78 - 60 - 975/1.8=8, ~974=7...(22) HG2 PRO 14 + HG3 MET 11 OK 47 78 - 60 - 975/1.8=8, ~974=7...(22) HG2 ARG 66 - HB VAL 65 OK 45 100 - 45 - 5038/4.4=24, ~6106=6...(9) HG2 ARG 66 - HG3 MET 11 OK 32 100 - 32 - 4.9/3921=9, 975/1.8=4...(11) HG LEU 43 - HB VAL 65 OK 32 87 - 37 - ~5964=6, ~5965=5...(12) HD2 ARG 69 - HB VAL 65 OK 30 73 - 41 - ~2820=5, ~2817=4...(16) HD3 ARG 69 - HB VAL 65 OK 30 73 - 41 - ~2820=5, ~2817=4...(16) HG2 PRO 14 - HB VAL 65 OK 25 78 - 32 - ~1113=4, 2.3/2660=3...(15) HG3 PRO 14 - HB VAL 65 OK 25 78 - 32 - ~1113=4, 2.3/2660=3...(15) HB VAL 90 - HG3 MET 11 OK 16 96 - 17 - 971/1.8=3, 972=3...(8) QE MET 31 - HB VAL 65 poor 10 88 - 11 - 5082/4698=4, 743/4.4=2...(4) HB3 GLN 79 - HB VAL 65 lone 7 95 - 7 - 5038/4.4=4 HB VAL 90 - HB VAL 65 lone 6 95 - 6 - 743/4.4=2 HD3 ARG 69 - HG3 MET 11 lone 5 73 - 6 - HD2 ARG 69 - HG3 MET 11 lone 5 73 - 6 - HB2 GLU 87 - HG3 MET 11 lone 4 71 - 6 - QE MET 31 - HG3 MET 11 lone 4 89 - 5 - 5082/4698=1 HG LEU 43 - HG3 MET 11 lone 4 87 - 5 - HB3 GLN 79 - HG3 MET 11 lone 4 96 - 4 - HB2 GLU 87 - HB VAL 65 lone 2 71 - 3 - HB3 PRO 56 - HG3 MET 11 lone 2 71 - 2 - HB3 PRO 56 - HB VAL 65 lone 1 71 - 2 - Peak 981 from cnoeabs.peaks (2.45, 2.39, 31.51 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HG2 MET 11 - HB VAL 65 OK 21 100 - 21 - 977=8, ~2666=2, ~2671=2...(8) HB3 PRO 36 - HG3 MET 11 lone 8 100 - 8 - 966/3.0=2, 971/3.0=1, ~1782=1 HB3 PRO 36 - HB VAL 65 lone 1 100 - 1 - Peak 983 from cnoeabs.peaks (8.24, 4.26, 52.27 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 12 + HA ALA 12 OK 100 100 - 100 - 3.0=100 H ALA 28 - HA ALA 12 lone 4 68 - 5 - 2.9/985=1, 986/2.1=1 H ALA 77 - HA ALA 12 lone 3 95 - 3 - H LEU 86 - HA ALA 12 lone 2 68 - 2 - H VAL 90 - HA ALA 12 lone 2 65 - 2 - H GLN 79 - HA ALA 12 lone 1 76 - 1 - H SER 22 - HA ALA 12 lone 1 63 - 1 - Peak 984 from cnoeabs.peaks (4.26, 4.26, 52.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 12 + HA ALA 12 OK 100 100 - 100 Peak 985 from cnoeabs.peaks (1.33, 4.26, 52.27 ppm; 3.45 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 - 100 - 2.1=100 HB2 LEU 52 - HA ALA 12 lone 6 100 - 6 - 9/3.6=2, 465/3.0=1 QB ALA 28 - HA ALA 12 lone 5 99 - 5 - 465/3.0=1 QB ALA 16 - HA ALA 12 lone 4 65 - 5 - 987=1 HB2 LEU 51 - HA ALA 12 lone 3 97 - 3 - HG3 LYS 32 - HA ALA 12 lone 2 100 - 2 - QG2 THR 58 - HA ALA 12 lone 1 83 - 1 - HG2 ARG 54 - HA ALA 12 lone 1 68 - 1 - Peak 986 from cnoeabs.peaks (8.24, 1.33, 19.07 ppm; 4.24 A): 1 out of 14 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 - 100 - 2.9=100 H ALA 28 - QB ALA 12 lone 6 68 - 9 - 983/2.1=1, 3.0/1472=1 H ALA 12 - QB ALA 16 lone 5 65 - 7 - 465=1, 3.0/985=1 H ALA 77 - QB ALA 12 lone 3 95 - 3 - 983/2.1=1 H ALA 77 - QB ALA 16 lone 3 57 - 5 - H LEU 86 - QB ALA 12 lone 2 68 - 3 - H VAL 90 - QB ALA 12 lone 2 65 - 3 - H LEU 86 - QB ALA 16 lone 2 37 - 5 - H ALA 28 - QB ALA 16 lone 2 37 - 5 - H GLN 79 - QB ALA 12 lone 1 76 - 1 - H SER 22 - QB ALA 16 lone 1 34 - 3 - ~5501=1 H SER 22 - QB ALA 12 lone 1 63 - 1 - H VAL 90 - QB ALA 16 lone 1 36 - 1 - H GLN 79 - QB ALA 16 lone 0 42 - 1 - Peak 987 from cnoeabs.peaks (4.26, 1.33, 19.07 ppm; 3.45 A): 1 out of 28 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 - 100 - 2.1=100 HA ARG 17 - QB ALA 16 OK 20 47 - 43 - 5.0=34, ~22=12, 1146/2.9=1 HA THR 15 - QB ALA 16 OK 20 58 - 34 - 5.0=34 HA LEU 64 - QB ALA 16 lone 5 65 - 7 - 3914/3.6=3, 18/2.9=2, 3.9/5162=1 HA ALA 20 - QB ALA 16 lone 4 65 - 6 - 3725/3.6=2, 18/2.9=1 HA LYS 75 - QB ALA 12 lone 4 93 - 4 - 8/3.6=3 HA LEU 64 - QB ALA 12 lone 4 100 - 4 - HA ALA 12 - QB ALA 16 lone 4 65 - 6 - 985=1 HA LYS 39 - QB ALA 12 lone 4 99 - 4 - 8/3.6=2 HA THR 15 - QB ALA 12 lone 3 96 - 3 - HA LYS 83 - QB ALA 12 lone 2 92 - 3 - HA LYS 85 - QB ALA 12 lone 2 60 - 4 - 8/3.6=1 HA GLU 19 - QB ALA 12 lone 2 100 - 2 - HA GLU 19 - QB ALA 16 lone 2 65 - 3 - HA ARG 17 - QB ALA 12 lone 2 83 - 2 - HA SER 60 - QB ALA 12 lone 2 83 - 2 - HA ALA 77 - QB ALA 12 lone 2 71 - 2 - HA ALA 77 - QB ALA 16 lone 2 39 - 4 - HA ALA 20 - QB ALA 12 lone 1 100 - 1 - HA LYS 83 - QB ALA 16 lone 1 55 - 2 - HA THR 88 - QB ALA 12 lone 1 78 - 1 - HA LYS 39 - QB ALA 16 lone 1 62 - 1 - HA ASP 38 - QB ALA 12 lone 1 81 - 1 - HA THR 88 - QB ALA 16 lone 1 44 - 2 - HA LYS 75 - QB ALA 16 lone 1 56 - 1 - HA LYS 85 - QB ALA 16 lone 1 32 - 2 - HA SER 60 - QB ALA 16 lone 0 47 - 1 - HA ASP 38 - QB ALA 16 lone 0 46 - 1 - Peak 988 from cnoeabs.peaks (1.33, 1.33, 19.07 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QB ALA 12 + QB ALA 12 OK 100 100 - 100 QB ALA 16 - QB ALA 16 OK 36 36 - 100 Peak 989 from cnoeabs.peaks (8.27, 4.54, 54.13 ppm; 5.41 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 - 100 - 3.0=100 H LYS 13 + HA LEU 43 OK 76 92 - 82 - 467=17, 3.9/1010=15...(19) H LEU 86 - HA LYS 13 OK 24 99 - 24 - 1009/3.0=5, 4.7/1030=4...(7) H LEU 86 - HA LEU 43 OK 15 89 - 17 - 4.7/1030=3, 5916/4.1=3...(5) H VAL 90 - HA LYS 13 OK 15 99 - 15 - 5924/3.9=4, 1009/3.0=3...(5) H VAL 90 - HA LEU 43 poor 9 90 - 11 - 414/4.1=3, 4.4/2007=3 H ASN 80 - HA LYS 13 lone 6 97 - 6 - 1009/3.0=1, 5924/3.9=1 H ASN 80 - HA LEU 43 lone 4 87 - 4 - Peak 990 from cnoeabs.peaks (4.54, 4.54, 54.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HA LYS 13 OK 100 100 - 100 HA LEU 43 + HA LEU 43 OK 89 89 - 100 Peak 991 from cnoeabs.peaks (1.79, 4.54, 54.13 ppm; 3.62 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LYS 13 + HA LYS 13 OK 100 100 - 100 - 3.0=100 HB2 LYS 13 + HA LEU 43 OK 57 92 - 62 - 1.8/1010=11, 3.9/467=7...(27) HB3 LYS 75 - HA LYS 13 OK 29 100 - 29 - 1011/3.0=3, 1021/3.9=3...(12) HB2 LYS 85 - HA LYS 13 OK 27 95 - 28 - 1011/3.0=3, 2.9/1030=2...(10) HB3 LYS 39 - HA LYS 13 OK 20 99 - 20 - 1011/3.0=2, 1021/3.9=2...(6) HB2 ARG 69 - HA LYS 13 OK 19 95 - 20 - 4820/3.8=3, 3.0/4816=2...(8) HB3 LYS 73 - HA LYS 13 OK 18 96 - 19 - 1011/3.0=2, 1021/3.9=2...(5) HB2 LYS 85 - HA LEU 43 OK 17 84 - 20 - ~2018=2, 1.8/2004=2...(7) HB3 LYS 39 - HA LEU 43 OK 11 90 - 13 - ~6081=4, ~4371=3, 1000=1 HB ILE 33 - HA LYS 13 OK 10 81 - 13 - 1021/3.9=1, 1655/3.9=1...(4) HB2 LYS 83 - HA LYS 13 lone 8 99 - 8 - HB2 LYS 32 - HA LYS 13 lone 6 90 - 7 - HB3 LYS 32 - HA LYS 13 lone 6 90 - 7 - HB2 LYS 83 - HA LEU 43 lone 6 89 - 7 - HB2 PRO 34 - HA LYS 13 lone 6 97 - 6 - 4820/3.8=1, 4813/3.8=1 HB2 LEU 57 - HA LYS 13 lone 6 76 - 8 - HB ILE 33 - HA LEU 43 lone 6 69 - 8 - 5560/4.1=2, 1655/3.0=1 HB2 ARG 54 - HA LEU 43 lone 5 62 - 8 - 2307/3.0=2, 4.1/2002=2, ~2315=2 HB2 ARG 69 - HA LEU 43 lone 5 84 - 6 - HB3 ARG 84 - HA LYS 13 lone 5 95 - 5 - HB3 LYS 75 - HA LEU 43 lone 4 92 - 5 - HB3 LYS 73 - HA LEU 43 lone 3 85 - 4 - HB3 ARG 84 - HA LEU 43 lone 3 84 - 4 - HB3 ARG 82 - HA LYS 13 lone 3 73 - 4 - HB2 ARG 54 - HA LYS 13 lone 2 73 - 3 - HB2 PRO 34 - HA LEU 43 lone 1 87 - 2 - HB3 LYS 32 - HA LEU 43 lone 1 79 - 2 - HB2 LYS 32 - HA LEU 43 lone 1 79 - 2 - HB2 LEU 57 - HA LEU 43 lone 1 65 - 1 - HB3 ARG 82 - HA LEU 43 lone 1 62 - 1 - Peak 992 from cnoeabs.peaks (1.68, 4.54, 54.13 ppm; 4.06 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 13 + HA LYS 13 OK 100 100 - 100 - 3.0=100 HD3 LYS 13 + HA LYS 13 OK 68 90 - 76 - 5.4=43, 2.9/993=8...(18) HD2 LYS 13 + HA LYS 13 OK 68 90 - 76 - 5.4=43, 2.9/993=8...(18) HB3 LYS 13 + HA LEU 43 OK 67 92 - 73 - 1010=17, 3.0/1020=9...(29) HB3 LEU 64 - HA LEU 43 OK 45 79 - 57 - ~4694=8, 2632/4.1=7...(23) HD3 LYS 13 - HA LEU 43 OK 38 79 - 48 - 3.5/1010=10, 2.9/1020=9...(18) HD2 LYS 13 - HA LEU 43 OK 38 79 - 48 - 3.5/1010=10, 2.9/1020=9...(18) HD2 LYS 75 - HA LYS 13 OK 27 89 - 31 - 1.8/1040=3, 1040=3...(7) HD3 LYS 75 - HA LYS 13 OK 27 89 - 31 - 1.8/1040=3, 1050=3...(7) HG LEU 29 - HA LEU 43 OK 24 90 - 26 - 1499/3.0=5, 1503/4.1=3...(12) HB3 LEU 64 - HA LYS 13 OK 11 90 - 12 - 2632/2038=2, 5907/3.8=1 HG LEU 29 - HA LYS 13 lone 10 99 - 10 - HG3 ARG 66 - HA LYS 13 lone 6 93 - 7 - 5907/3.8=2, 4821/3.8=2 HB3 GLN 61 - HA LEU 43 lone 6 67 - 9 - ~4381=3, ~4380=2...(4) HG3 ARG 66 - HA LEU 43 lone 5 82 - 6 - HB3 GLN 61 - HA LYS 13 lone 5 78 - 6 - HB2 ARG 82 - HA LYS 13 lone 4 95 - 5 - HD2 LYS 75 - HA LEU 43 lone 4 77 - 5 - HD3 LYS 75 - HA LEU 43 lone 4 77 - 5 - HG2 ARG 23 - HA LYS 13 lone 3 97 - 3 - HG2 ARG 70 - HA LYS 13 lone 2 65 - 2 - HB2 ARG 82 - HA LEU 43 lone 1 84 - 2 - HG2 ARG 70 - HA LEU 43 lone 1 55 - 2 - HG2 ARG 23 - HA LEU 43 lone 1 86 - 1 - Peak 993 from cnoeabs.peaks (1.42, 4.54, 54.13 ppm; 3.64 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 88 100 - 88 - 3.9=81, 470/3.0=10...(8) HB3 LEU 43 + HA LEU 43 OK 82 82 - 100 - 3.0=100 HB3 LEU 43 + HA LYS 13 OK 64 93 - 68 - 2017=14, 3.1/2038=12...(20) HG2 LYS 13 + HA LEU 43 OK 53 92 - 57 - 3.0/1010=9, 1020=8...(22) HG13 ILE 89 - HA LEU 43 OK 27 79 - 34 - 2012/3.0=4, 2033/4.1=3...(17) HG13 ILE 89 - HA LYS 13 OK 16 90 - 18 - 1013/3.0=2, 470/3.0=2...(8) HG3 LYS 39 - HA LYS 13 OK 15 85 - 17 - 1013/3.0=2, 470/3.0=2...(5) HB3 ARG 69 - HA LYS 13 poor 10 60 - 16 - 3.0/4816=2, 1.8/991=2...(6) HG12 ILE 33 - HA LYS 13 poor 9 81 - 11 - 1013/3.0=2, ~4222=2, 1033/3.9=1 QB ALA 30 - HA LEU 43 poor 8 67 - 13 - 4843/3.0=2, 622/3.0=2...(7) HG12 ILE 33 - HA LEU 43 poor 8 69 - 12 - 2033/4.1=1, 2012/3.0=1...(4) HG3 LYS 39 - HA LEU 43 lone 6 73 - 8 - 5206/4.1=2, 4896/4.1=2 QB ALA 30 - HA LYS 13 lone 6 78 - 7 - ~4842=1, 1013/3.0=1 HB3 ARG 69 - HA LEU 43 lone 3 50 - 5 - Peak 994 from cnoeabs.peaks (1.46, 4.54, 54.13 ppm; 3.69 A): 4 out of 18 assignments used, quality = 0.99: * HG3 LYS 13 + HA LYS 13 OK 90 100 - 90 - 3.9=85, 471/3.0=8...(7) HB3 LEU 43 + HA LEU 43 OK 73 73 - 100 - 3.0=100 HB3 LEU 43 + HA LYS 13 OK 58 85 - 68 - 2017=13, 3.1/2038=12...(21) HG3 LYS 13 + HA LEU 43 OK 51 92 - 55 - 3.0/1010=9, 1.8/1020=8...(20) HG13 ILE 89 - HA LEU 43 OK 25 77 - 33 - 2012/3.0=3, ~5274=3...(17) HG3 LYS 85 - HA LYS 13 OK 25 100 - 25 - 1014/3.0=3, 1030=3...(9) HG3 LYS 85 - HA LEU 43 OK 19 92 - 20 - 1030=2, 622/3.0=2...(10) HG13 ILE 89 - HA LYS 13 OK 15 89 - 17 - 1024/3.9=2, 1014/3.0=2...(8) HG2 LYS 73 - HA LYS 13 OK 13 78 - 17 - 1014/3.0=2, 1030=2...(5) HB3 LEU 52 - HA LYS 13 OK 13 89 - 14 - 2266/3.8=5, 3.0/4817=2...(5) HG12 ILE 33 - HA LYS 13 OK 12 96 - 12 - 1014/3.0=2, ~4222=2, 1024/3.9=1 QB ALA 30 - HA LEU 43 OK 11 86 - 13 - 4843/3.0=3, 5536/4.1=2...(6) HG12 ILE 33 - HA LEU 43 poor 10 85 - 11 - 2033/4.1=1, 2012/3.0=1, ~1683=1 QB ALA 30 - HA LYS 13 lone 8 97 - 8 - 1014/3.0=1, ~4842=1 HB3 LEU 57 - HA LYS 13 lone 7 96 - 7 - 1014/3.0=1 HB3 LEU 52 - HA LEU 43 lone 7 77 - 8 - 5691/3.0=2, 3.0/4817=1...(4) HG2 LYS 73 - HA LEU 43 lone 2 67 - 3 - HB3 LEU 57 - HA LEU 43 lone 2 85 - 2 - Peak 995 from cnoeabs.peaks (1.67, 4.54, 54.13 ppm; 4.72 A): 6 out of 18 assignments used, quality = 1.00: HB3 LYS 13 + HA LYS 13 OK 90 90 - 100 - 3.0=100 HD3 LYS 13 + HA LYS 13 OK 90 100 - 90 - 5.4=67, 2.9/993=9...(20) * HD2 LYS 13 + HA LYS 13 OK 90 100 - 90 - 5.4=67, 2.9/993=9...(20) HB3 LYS 13 + HA LEU 43 OK 65 79 - 82 - 1010=18, 3.0/1020=12...(29) HD3 LYS 13 + HA LEU 43 OK 56 92 - 61 - 3.5/1010=13, 2.9/1020=12...(18) HD2 LYS 13 + HA LEU 43 OK 56 92 - 61 - 3.5/1010=13, 2.9/1020=12...(18) HD2 LYS 75 - HA LYS 13 OK 40 100 - 41 - 1050=4, 1.8/1050=4...(9) HD3 LYS 75 - HA LYS 13 OK 40 100 - 41 - 1050=4, 1.8/1050=4...(9) HG LEU 29 - HA LEU 43 OK 29 88 - 33 - 1499/3.0=5, 1503/4.1=4...(14) HG LEU 29 - HA LYS 13 OK 13 98 - 13 - 3.0/2004=1 HB3 GLN 61 - HA LEU 43 OK 12 90 - 13 - ~4381=4, ~4380=3...(4) HB3 GLN 61 - HA LYS 13 lone 8 99 - 8 - 2545/5648=1, ~2535=1 HD3 LYS 75 - HA LEU 43 lone 6 92 - 7 - HD2 LYS 75 - HA LEU 43 lone 6 92 - 7 - HG2 ARG 23 - HA LYS 13 lone 4 100 - 4 - HB2 ARG 82 - HA LYS 13 lone 4 60 - 6 - HG2 ARG 23 - HA LEU 43 lone 2 91 - 2 - HB2 ARG 82 - HA LEU 43 lone 1 50 - 2 - Peak 999 from cnoeabs.peaks (8.27, 1.79, 32.38 ppm; 4.53 A): 2 out of 24 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.9=100 H LEU 86 + HB2 LYS 85 OK 79 81 - 97 - 4.6=95, 385/3.0=30...(4) H LYS 13 - HB2 LYS 85 OK 26 84 - 31 - 468=5, 5995/1.8=4...(12) H LYS 13 - HB3 LYS 75 OK 24 91 - 27 - 468=5, 8/3.0=4...(10) H LYS 13 - HB3 LYS 39 OK 22 99 - 22 - 468=4, 8/3.0=3...(7) H LEU 86 - HB3 LYS 39 OK 21 97 - 21 - 861/2.9=3, 386=3...(7) H LEU 86 - HB2 LYS 13 OK 19 99 - 20 - 1009/1.8=5, 5924/3.0=3...(6) H ASN 80 - HB2 LYS 83 OK 17 83 - 21 - 6154/3.0=7, ~6055=7...(5) H LEU 86 - HB3 LYS 73 OK 17 92 - 19 - 386/1.8=2, 5895/2.9=2...(8) H LYS 13 - HB3 LYS 73 OK 17 95 - 18 - 468=3, 3.9/1011=2...(6) H LEU 86 - HB3 LYS 75 OK 16 88 - 19 - 385/3.0=3, 386=3...(7) H LEU 86 - HB2 LYS 83 OK 16 85 - 19 - 5995/1.8=4, 385/3.0=4...(7) H VAL 90 - HB3 LYS 73 OK 14 92 - 16 - 5277/1.8=4, 412/3.0=4...(6) H VAL 90 - HB2 LYS 13 OK 13 99 - 13 - 5924/3.0=3, 1009/1.8=3...(5) H ASN 80 - HB2 LYS 85 poor 10 79 - 12 - 6154/3.0=4, ~6055=4, 5995/1.8=2 H LYS 13 - HB2 LYS 83 poor 9 88 - 10 - 468=2, 8/3.0=2, 5995/1.8=1 H VAL 90 - HB2 LYS 85 poor 8 82 - 10 - 5277=2, 5995/1.8=2...(4) H ASN 80 - HB3 LYS 75 lone 6 86 - 7 - 6154/3.0=3, 3.0/6053=1 H ASN 80 - HB2 LYS 13 lone 4 97 - 5 - 1009/1.8=1 H ASN 80 - HB3 LYS 73 lone 4 90 - 5 - 5421/3.0=1, 3.6/6051=1 H VAL 90 - HB3 LYS 75 lone 4 89 - 4 - H VAL 90 - HB3 LYS 39 lone 3 97 - 4 - H VAL 90 - HB2 LYS 83 lone 3 85 - 4 - H ASN 80 - HB3 LYS 39 lone 3 95 - 3 - Peak 1000 from cnoeabs.peaks (4.54, 1.79, 32.38 ppm; 4.69 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HA LEU 43 + HB2 LYS 13 OK 80 99 - 81 - 1010/1.8=17, 1020/3.0=12...(27) HA LYS 13 - HB3 LYS 75 OK 41 91 - 45 - 3.9/1021=5, 3.0/1011=4...(17) HA LYS 13 - HB2 LYS 85 OK 37 84 - 44 - 1030/2.9=4, 3.0/468=4...(17) HA LYS 13 - HB3 LYS 39 OK 32 99 - 32 - 3.9/1021=3, 3.0/1011=3...(14) HA LYS 13 - HB3 LYS 73 OK 29 95 - 31 - 3.9/1021=3, 3.0/1011=3...(9) HA LEU 43 - HB2 LYS 85 OK 26 81 - 32 - 1030/2.9=3, 2004/1.8=3...(14) HA LEU 43 - HB3 LYS 39 OK 20 97 - 21 - ~6081=8, ~4371=6, 991=1 HA PRO 44 - HB2 LYS 13 OK 16 65 - 24 - 4.8/991=4, 2.3/5112=3...(10) HA LYS 13 - HB2 LYS 83 OK 12 88 - 13 - 3.0/468=1, 991=1 HA LEU 43 - HB2 LYS 83 poor 10 85 - 12 - ~4371=1, 2004/1.8=1...(5) HA LEU 43 - HB3 LYS 75 lone 7 88 - 8 - HA PRO 44 - HB3 LYS 39 lone 6 63 - 10 - ~4893=1, ~4894=1, 2.3/5112=1 HA LEU 43 - HB3 LYS 73 lone 6 92 - 6 - HA PRO 44 - HB2 LYS 85 lone 2 48 - 5 - 4.8/991=1 HA PRO 44 - HB3 LYS 75 lone 2 54 - 3 - HA PRO 44 - HB3 LYS 73 lone 1 57 - 2 - HA PRO 44 - HB2 LYS 83 lone 1 51 - 2 - Peak 1001 from cnoeabs.peaks (1.79, 1.79, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 97 97 - 100 HB3 LYS 75 + HB3 LYS 75 OK 91 91 - 100 HB3 LYS 73 + HB3 LYS 73 OK 87 87 - 100 HB2 LYS 83 + HB2 LYS 83 OK 85 85 - 100 HB2 LYS 85 + HB2 LYS 85 OK 75 75 - 100 Peak 1002 from cnoeabs.peaks (1.68, 1.79, 32.38 ppm; 2.40 A): 1 out of 72 assignments used, quality = 1.00: * HB3 LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 1.8=100 HD2 LYS 13 - HB2 LYS 13 OK 43 90 - 48 - 3.5=32, 1043/3.0=3...(11) HD3 LYS 13 - HB2 LYS 13 OK 43 90 - 48 - 3.5=32, 1043/3.0=3...(11) HD2 LYS 75 - HB3 LYS 75 OK 35 76 - 46 - 3.5=32, 3128/1.8=2...(8) HD3 LYS 75 - HB3 LYS 75 OK 35 76 - 46 - 3.5=32, 3128/1.8=2...(8) HB3 LEU 64 - HB3 LYS 39 OK 18 88 - 20 - 2630/2.9=2, 2627/3.0=2...(6) HD3 LYS 75 - HB3 LYS 39 OK 17 86 - 20 - 3118/1.8=1 HD2 LYS 75 - HB3 LYS 39 OK 17 86 - 20 - 3118/1.8=1 HD3 LYS 13 - HB3 LYS 75 OK 16 78 - 21 - 2.9/1021=2, 3.5/1011=1...(4) HD2 LYS 13 - HB3 LYS 75 OK 16 78 - 21 - 2.9/1021=2, 3.5/1011=1...(4) HB3 LYS 13 - HB3 LYS 75 OK 16 91 - 17 - 1011=4, 3.0/1021=2 HD3 LYS 75 - HB2 LYS 13 OK 14 89 - 15 - 1022/3.0=1 HD2 LYS 75 - HB2 LYS 13 OK 14 89 - 15 - 1022/3.0=1 HD2 LYS 75 - HB3 LYS 73 OK 13 80 - 17 - HD3 LYS 75 - HB3 LYS 73 OK 13 80 - 17 - HB3 LYS 13 - HB2 LYS 85 OK 13 84 - 15 - 1011=3, 1014/2.9=1, 3.0/1021=1 HB3 LYS 13 - HB3 LYS 39 OK 12 99 - 12 - 1011=3, 3.0/1021=1 HD3 LYS 13 - HB3 LYS 39 OK 11 88 - 13 - 2.9/1021=1 HD2 LYS 13 - HB3 LYS 39 OK 11 88 - 13 - 2.9/1021=1 HB3 LYS 13 - HB3 LYS 73 OK 11 95 - 12 - 1011=3, 3.0/1021=1 HD2 LYS 13 - HB3 LYS 73 OK 11 82 - 13 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 73 OK 11 82 - 13 - 2.9/1021=1 HD2 LYS 13 - HB2 LYS 85 lone 7 71 - 10 - 2.9/1021=1 HD3 LYS 13 - HB2 LYS 85 lone 7 71 - 10 - 2.9/1021=1 HG2 ARG 23 - HB3 LYS 39 lone 7 94 - 7 - HG LEU 29 - HB3 LYS 73 lone 6 92 - 7 - HD2 LYS 75 - HB2 LYS 85 lone 6 69 - 8 - HD3 LYS 75 - HB2 LYS 85 lone 6 69 - 8 - HB2 ARG 82 - HB2 LYS 83 lone 5 79 - 6 - 4.4/832=2, 3237=1 HB2 ARG 82 - HB3 LYS 73 lone 5 86 - 6 - 3237=1 HB2 ARG 82 - HB3 LYS 39 lone 4 92 - 4 - HB3 LYS 13 - HB2 LYS 83 lone 3 88 - 4 - HG LEU 29 - HB3 LYS 39 lone 3 97 - 3 - HG LEU 29 - HB2 LYS 13 lone 3 99 - 3 - HB3 LEU 64 - HB2 LYS 13 lone 3 90 - 3 - HB3 LEU 64 - HB3 LYS 75 lone 3 78 - 4 - HG LEU 29 - HB2 LYS 85 lone 2 82 - 3 - HG LEU 29 - HB3 LYS 75 lone 2 89 - 3 - HG2 ARG 23 - HB3 LYS 75 lone 2 85 - 3 - HD3 LYS 75 - HB2 LYS 83 lone 2 73 - 3 - HD2 LYS 75 - HB2 LYS 83 lone 2 73 - 3 - HB3 GLN 61 - HB2 LYS 13 lone 2 78 - 2 - HB2 ARG 82 - HB2 LYS 13 lone 2 95 - 2 - HG2 ARG 70 - HB3 LYS 73 lone 2 57 - 3 - HG LEU 29 - HB2 LYS 83 lone 2 85 - 2 - HB3 LEU 64 - HB2 LYS 83 lone 2 74 - 2 - HD3 LYS 13 - HB2 LYS 83 lone 2 74 - 2 - HD2 LYS 13 - HB2 LYS 83 lone 2 74 - 2 - HG2 ARG 70 - HB3 LYS 75 lone 2 54 - 3 - HG3 ARG 66 - HB2 LYS 13 lone 1 93 - 2 - HB2 ARG 82 - HB3 LYS 75 lone 1 82 - 2 - HB2 ARG 82 - HB2 LYS 85 lone 1 75 - 2 - HG2 ARG 70 - HB2 LYS 85 lone 1 48 - 3 - HG2 ARG 23 - HB2 LYS 13 lone 1 97 - 1 - HB3 LEU 64 - HB3 LYS 73 lone 1 82 - 1 - HB3 GLN 61 - HB3 LYS 75 lone 1 66 - 1 - HG2 ARG 23 - HB3 LYS 73 lone 1 89 - 1 - HG3 ARG 66 - HB3 LYS 39 lone 1 91 - 1 - HB3 GLN 61 - HB3 LYS 73 lone 1 69 - 1 - HB3 LEU 64 - HB2 LYS 85 lone 1 71 - 1 - HG3 ARG 66 - HB3 LYS 75 lone 1 81 - 1 - HG2 ARG 70 - HB2 LYS 13 lone 1 65 - 1 - HG2 ARG 70 - HB3 LYS 39 lone 1 63 - 1 - HB3 GLN 61 - HB3 LYS 39 lone 1 75 - 1 - HG2 ARG 70 - HB2 LYS 83 lone 1 51 - 1 - HG3 ARG 66 - HB3 LYS 73 lone 0 85 - 1 - HG2 ARG 23 - HB2 LYS 83 lone 0 82 - 1 - HG3 ARG 66 - HB2 LYS 83 lone 0 78 - 1 - HG3 ARG 66 - HB2 LYS 85 lone 0 74 - 1 - HG2 ARG 23 - HB2 LYS 85 lone 0 78 - 0 - HB3 GLN 61 - HB2 LYS 85 lone 0 59 - 0 - HB3 GLN 61 - HB2 LYS 83 lone 0 63 - 0 - Peak 1003 from cnoeabs.peaks (1.42, 1.79, 32.38 ppm; 3.14 A): 3 out of 42 assignments used, quality = 1.00: * HG2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 - 100 - 2.9=100 HB3 LEU 43 + HB2 LYS 13 OK 45 93 - 48 - 2017/3.0=7, 1013/1.8=5...(22) HG3 LYS 39 - HB3 LYS 75 OK 31 72 - 44 - ~1864=4, 1874/1.8=4...(15) HG2 LYS 13 - HB3 LYS 75 OK 30 91 - 33 - 1021=5, 3.0/1011=3...(11) HG13 ILE 89 - HB3 LYS 73 OK 29 82 - 36 - 3627/1.8=4, ~3634=3...(20) HG2 LYS 13 - HB3 LYS 39 OK 22 99 - 22 - 1021=3, 3.0/1011=2...(4) HG2 LYS 13 - HB3 LYS 73 OK 21 95 - 22 - 1021=3, 3.0/1011=2, 1024/2.9=2 HG2 LYS 13 - HB2 LYS 85 OK 19 84 - 23 - 1021=3, 3.0/1011=2...(5) HG13 ILE 89 - HB2 LYS 13 OK 16 90 - 18 - 1013/1.8=2, ~5274=2...(5) HG3 LYS 39 - HB2 LYS 13 OK 16 85 - 19 - 1013/1.8=2, 1.8/1865=1...(5) HB3 LEU 43 - HB2 LYS 85 OK 14 74 - 18 - 2018/1.8=3, ~5357=1...(5) HG3 LYS 39 - HB3 LYS 73 OK 13 76 - 17 - 1.8/1865=1, 1875=1 HB3 ARG 69 - HB3 LYS 73 OK 13 52 - 25 - 2802/1.8=2, 2802=2...(10) HB3 ARG 69 - HB3 LYS 75 OK 12 49 - 25 - 2802=2, 3.0/2786=2...(10) HG12 ILE 33 - HB2 LYS 13 OK 11 81 - 13 - ~4222=2, 1013/1.8=1, 1033/3.0=1 HB3 ARG 69 - HB2 LYS 13 poor 10 60 - 16 - ~4819=2, 3.0/2786=1...(6) HB3 LEU 43 - HB3 LYS 39 lone 9 91 - 10 - ~5111=1, ~5357=1...(4) HB3 ARG 69 - HB3 LYS 39 poor 8 57 - 14 - 6077/4.4=1, 2802=1, 3.0/2786=1 HG13 ILE 89 - HB2 LYS 85 poor 8 71 - 11 - HG13 ILE 89 - HB3 LYS 75 poor 8 78 - 10 - HB3 ARG 69 - HB2 LYS 85 poor 6 44 - 15 - 2802=1, 3.0/2818=1...(4) QB ALA 30 - HB2 LYS 13 lone 6 78 - 7 - HG2 LYS 13 - HB2 LYS 83 lone 5 88 - 6 - HG3 LYS 39 - HB2 LYS 85 lone 5 65 - 8 - HB3 LEU 43 - HB2 LYS 83 lone 5 78 - 6 - 2018/1.8=1 HG13 ILE 89 - HB3 LYS 39 lone 4 88 - 5 - HG3 LYS 39 - HB2 LYS 83 lone 4 69 - 6 - HB3 LEU 43 - HB3 LYS 75 lone 3 81 - 4 - QB ALA 30 - HB3 LYS 73 lone 3 69 - 4 - HB3 LEU 43 - HB3 LYS 73 lone 3 85 - 3 - HG12 ILE 33 - HB3 LYS 73 lone 3 72 - 4 - HB3 ARG 69 - HB2 LYS 83 lone 2 47 - 5 - HG12 ILE 33 - HB3 LYS 39 lone 2 78 - 3 - HG13 ILE 89 - HB2 LYS 83 lone 2 74 - 3 - QB ALA 30 - HB2 LYS 85 lone 2 59 - 4 - QB ALA 30 - HB3 LYS 75 lone 2 66 - 3 - HG12 ILE 33 - HB2 LYS 85 lone 2 61 - 3 - HG12 ILE 33 - HB3 LYS 75 lone 2 68 - 2 - QB ALA 30 - HB2 LYS 83 lone 1 63 - 2 - QB ALA 30 - HB3 LYS 39 lone 1 75 - 1 - HG12 ILE 33 - HB2 LYS 83 lone 1 65 - 1 - Peak 1004 from cnoeabs.peaks (1.46, 1.79, 32.38 ppm; 3.29 A): 3 out of 54 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 - 100 - 3.0=100 HG3 LYS 85 + HB2 LYS 85 OK 84 84 - 100 - 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 69 69 - 100 - 2.9=100 HB3 LEU 43 - HB2 LYS 13 OK 43 85 - 51 - 2017/3.0=7, ~2010=5...(26) HG3 LYS 13 - HB3 LYS 75 OK 33 91 - 36 - 1.8/1021=4, 3.0/1011=3...(16) HG13 ILE 89 - HB3 LYS 73 OK 32 80 - 40 - 3627/1.8=4, ~3634=3...(20) HG3 LYS 85 - HB3 LYS 73 OK 25 94 - 27 - 1031=2, 2.9/3299=2...(7) HG3 LYS 85 - HB2 LYS 13 OK 24 100 - 24 - 1014/1.8=3, 1024/3.0=2...(7) HG3 LYS 85 - HB3 LYS 75 OK 23 91 - 26 - 5849/4.0=2, 3464/3.0=2...(9) HG2 LYS 73 - HB3 LYS 75 OK 23 66 - 36 - 5849/4.0=2, 2990/1.8=2...(14) HG3 LYS 13 - HB3 LYS 39 OK 23 99 - 23 - 1.8/1021=3, 3.0/1011=2...(4) HG3 LYS 13 - HB3 LYS 73 OK 23 95 - 24 - 1.8/1021=3, 3.0/1011=2...(4) HG3 LYS 13 - HB2 LYS 85 OK 20 84 - 24 - 1.8/1021=3, 3448/1.8=3...(7) HG3 LYS 85 - HB2 LYS 83 OK 19 87 - 22 - 3448/1.8=3, 3428/3.0=2...(5) HG13 ILE 89 - HB2 LYS 13 OK 17 89 - 20 - 1024/3.0=2, ~5274=2...(7) HG2 LYS 73 - HB3 LYS 39 OK 16 75 - 21 - 2991=1, ~1867=1 HG2 LYS 73 - HB2 LYS 85 OK 16 59 - 27 - 3448/1.8=2, 3428/3.0=2...(6) HG2 LYS 73 - HB2 LYS 13 OK 15 78 - 20 - 1014/1.8=2, 1024/3.0=2 HG12 ILE 33 - HB2 LYS 13 OK 15 96 - 16 - ~4222=2, 1014/1.8=2, 1024/3.0=2 HB3 LEU 43 - HB2 LYS 85 OK 14 65 - 21 - 2018/1.8=3, 3428/3.0=2...(6) HB3 LEU 57 - HB3 LYS 73 OK 14 87 - 15 - 2442/4.3=2, 2444=2, 789/4.0=1 HB3 LEU 57 - HB2 LYS 13 OK 11 96 - 11 - 1014/1.8=1 HG13 ILE 89 - HB2 LYS 85 poor 10 69 - 14 - 3448/1.8=2 HG3 LYS 85 - HB3 LYS 39 lone 9 99 - 9 - HG13 ILE 89 - HB3 LYS 75 poor 9 76 - 12 - ~5274=1, ~3634=1 HB3 LEU 43 - HB3 LYS 39 poor 9 82 - 11 - ~5111=1, ~5357=1...(4) QB ALA 30 - HB2 LYS 13 lone 9 97 - 9 - 1014/1.8=1, ~4842=1 HB3 LEU 57 - HB3 LYS 39 lone 8 93 - 9 - HB3 LEU 52 - HB2 LYS 13 lone 8 89 - 9 - 2266/4.8=3, 471/3.9=1 HG2 LYS 73 - HB2 LYS 83 lone 6 63 - 10 - HG3 LYS 13 - HB2 LYS 83 lone 6 88 - 6 - HB3 LEU 52 - HB3 LYS 73 lone 5 80 - 6 - 4.6/4963=1 HG13 ILE 89 - HB3 LYS 39 lone 5 86 - 6 - ~5274=1 QB ALA 30 - HB3 LYS 73 lone 5 89 - 5 - HB3 LEU 43 - HB2 LYS 83 lone 5 69 - 7 - 2018/1.8=1 HB3 LEU 52 - HB3 LYS 39 lone 5 86 - 5 - 3864/4.4=3, 4.6/4963=1 HG12 ILE 33 - HB3 LYS 73 lone 4 87 - 5 - QB ALA 30 - HB2 LYS 85 lone 4 78 - 5 - HB3 LEU 57 - HB3 LYS 75 lone 3 84 - 4 - QB ALA 30 - HB3 LYS 75 lone 3 85 - 4 - HB3 LEU 43 - HB3 LYS 75 lone 3 72 - 4 - HG12 ILE 33 - HB3 LYS 39 lone 3 93 - 3 - HB3 LEU 43 - HB3 LYS 73 lone 3 76 - 4 - HG13 ILE 89 - HB2 LYS 83 lone 3 73 - 4 - HG12 ILE 33 - HB2 LYS 85 lone 3 76 - 3 - QB ALA 30 - HB2 LYS 83 lone 3 82 - 3 - HG12 ILE 33 - HB3 LYS 75 lone 3 84 - 3 - HB3 LEU 57 - HB2 LYS 85 lone 2 76 - 3 - QB ALA 30 - HB3 LYS 39 lone 2 94 - 2 - HG12 ILE 33 - HB2 LYS 83 lone 1 80 - 2 - HB3 LEU 52 - HB3 LYS 75 lone 1 76 - 2 - HB3 LEU 57 - HB2 LYS 83 lone 1 80 - 2 - HB3 LEU 52 - HB2 LYS 85 lone 1 69 - 2 - HB3 LEU 52 - HB2 LYS 83 lone 1 73 - 1 - Peak 1005 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 5 out of 54 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 90 90 - 100 - 1.8=100 * HD2 LYS 13 + HB2 LYS 13 OK 56 100 - 56 - 3.5=38, 1053/3.0=4...(13) HD3 LYS 13 + HB2 LYS 13 OK 56 100 - 56 - 3.5=38, 1053/3.0=4...(13) HD3 LYS 75 + HB3 LYS 75 OK 48 91 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 75 + HB3 LYS 75 OK 48 91 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 75 - HB3 LYS 39 OK 23 99 - 24 - 3128/1.8=1, 4.7/3069=1 HD3 LYS 75 - HB3 LYS 39 OK 23 99 - 24 - 3128/1.8=1, 4.7/3069=1 HD3 LYS 13 - HB3 LYS 75 OK 22 91 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD2 LYS 13 - HB3 LYS 75 OK 22 91 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD3 LYS 75 - HB2 LYS 13 OK 18 100 - 19 - 1026/3.0=1 HD2 LYS 75 - HB2 LYS 13 OK 18 100 - 19 - 1025/3.0=1 HD3 LYS 75 - HB3 LYS 73 OK 18 95 - 20 - HD2 LYS 75 - HB3 LYS 73 OK 18 95 - 20 - HB3 LYS 13 - HB3 LYS 75 OK 15 78 - 20 - 1011=4, 3.0/1021=2, 3072/3.0=1 HD2 LYS 13 - HB3 LYS 39 OK 15 99 - 15 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 39 OK 15 99 - 15 - 2.9/1021=1 HD2 LYS 13 - HB3 LYS 73 OK 15 95 - 16 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 73 OK 15 95 - 16 - 2.9/1021=1 HB3 LYS 13 - HB2 LYS 85 OK 12 71 - 17 - 1011=3, 3.0/1021=1, 1014/2.9=1 HB3 LYS 13 - HB3 LYS 39 OK 12 88 - 13 - 1011=3, 3.0/1021=1 HB3 LYS 13 - HB3 LYS 73 OK 11 82 - 14 - 1011=3, 3.0/1021=1 HD3 LYS 13 - HB2 LYS 85 poor 10 84 - 12 - 2.9/1021=1, 3.5/1011=1 HD2 LYS 13 - HB2 LYS 85 poor 10 84 - 12 - 2.9/1021=1, 3.5/1011=1 HD2 LYS 75 - HB2 LYS 85 poor 9 84 - 10 - HD3 LYS 75 - HB2 LYS 85 poor 9 84 - 10 - HG2 ARG 23 - HB3 LYS 39 lone 8 98 - 8 - 1289/2.9=1 HG LEU 29 - HB3 LYS 73 lone 7 91 - 8 - 1498/3.0=1, 3766/4.0=1 HG LEU 29 - HB2 LYS 13 lone 4 98 - 4 - HG LEU 29 - HB3 LYS 39 lone 4 96 - 4 - HB3 LYS 13 - HB2 LYS 83 lone 3 74 - 4 - HB3 GLN 61 - HB2 LYS 13 lone 3 99 - 3 - HB2 ARG 82 - HB2 LYS 83 lone 3 47 - 7 - 4.4/832=2 HB2 ARG 82 - HB3 LYS 73 lone 3 52 - 6 - HD3 LYS 75 - HB2 LYS 83 lone 3 88 - 3 - HD2 LYS 75 - HB2 LYS 83 lone 3 88 - 3 - HG LEU 29 - HB2 LYS 85 lone 3 80 - 4 - HG2 ARG 23 - HB3 LYS 75 lone 3 90 - 3 - HG LEU 29 - HB3 LYS 75 lone 3 87 - 3 - HD3 LYS 13 - HB2 LYS 83 lone 3 88 - 3 - HD2 LYS 13 - HB2 LYS 83 lone 3 88 - 3 - HB2 ARG 82 - HB3 LYS 39 lone 2 57 - 4 - HG LEU 29 - HB2 LYS 83 lone 2 84 - 2 - HB3 GLN 61 - HB3 LYS 75 lone 2 89 - 2 - HB3 GLN 61 - HB3 LYS 73 lone 1 93 - 1 - HG2 ARG 23 - HB2 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HB2 LYS 13 lone 1 60 - 2 - HG2 ARG 23 - HB3 LYS 73 lone 1 93 - 1 - HB2 ARG 82 - HB2 LYS 85 lone 1 44 - 2 - HB3 GLN 61 - HB3 LYS 39 lone 1 98 - 1 - HB2 ARG 82 - HB3 LYS 75 lone 1 49 - 2 - HG2 ARG 23 - HB2 LYS 83 lone 1 87 - 1 - HG2 ARG 23 - HB2 LYS 85 lone 0 83 - 1 - HB3 GLN 61 - HB2 LYS 85 lone 0 82 - 0 - HB3 GLN 61 - HB2 LYS 83 lone 0 86 - 0 - Peak 1006 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 5 out of 54 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 90 90 - 100 - 1.8=100 HD2 LYS 13 + HB2 LYS 13 OK 56 100 - 56 - 3.5=38, 1053/3.0=4...(13) * HD3 LYS 13 + HB2 LYS 13 OK 56 100 - 56 - 3.5=38, 1053/3.0=4...(13) HD3 LYS 75 + HB3 LYS 75 OK 48 91 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 75 + HB3 LYS 75 OK 48 91 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 75 - HB3 LYS 39 OK 23 99 - 24 - 3128/1.8=1, 4.7/3069=1 HD3 LYS 75 - HB3 LYS 39 OK 23 99 - 24 - 3128/1.8=1, 4.7/3069=1 HD3 LYS 13 - HB3 LYS 75 OK 22 91 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD2 LYS 13 - HB3 LYS 75 OK 22 91 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD3 LYS 75 - HB2 LYS 13 OK 18 100 - 19 - 1026/3.0=1 HD2 LYS 75 - HB2 LYS 13 OK 18 100 - 19 - 1025/3.0=1 HD3 LYS 75 - HB3 LYS 73 OK 18 95 - 20 - HD2 LYS 75 - HB3 LYS 73 OK 18 95 - 20 - HB3 LYS 13 - HB3 LYS 75 OK 15 78 - 20 - 1011=4, 3.0/1021=2, 3072/3.0=1 HD2 LYS 13 - HB3 LYS 39 OK 15 99 - 15 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 39 OK 15 99 - 15 - 2.9/1021=1 HD2 LYS 13 - HB3 LYS 73 OK 15 95 - 16 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 73 OK 15 95 - 16 - 2.9/1021=1 HB3 LYS 13 - HB2 LYS 85 OK 12 71 - 17 - 1011=3, 3.0/1021=1, 1014/2.9=1 HB3 LYS 13 - HB3 LYS 39 OK 12 88 - 13 - 1011=3, 3.0/1021=1 HB3 LYS 13 - HB3 LYS 73 OK 11 82 - 14 - 1011=3, 3.0/1021=1 HD3 LYS 13 - HB2 LYS 85 poor 10 84 - 12 - 2.9/1021=1, 3.5/1011=1 HD2 LYS 13 - HB2 LYS 85 poor 10 84 - 12 - 2.9/1021=1, 3.5/1011=1 HD2 LYS 75 - HB2 LYS 85 poor 9 84 - 10 - HD3 LYS 75 - HB2 LYS 85 poor 9 84 - 10 - HG2 ARG 23 - HB3 LYS 39 lone 8 98 - 8 - 1289/2.9=1 HG LEU 29 - HB3 LYS 73 lone 7 91 - 8 - 1498/3.0=1, 3766/4.0=1 HG LEU 29 - HB2 LYS 13 lone 4 98 - 4 - HG LEU 29 - HB3 LYS 39 lone 4 96 - 4 - HB3 LYS 13 - HB2 LYS 83 lone 3 74 - 4 - HB3 GLN 61 - HB2 LYS 13 lone 3 99 - 3 - HB2 ARG 82 - HB2 LYS 83 lone 3 47 - 7 - 4.4/832=2 HB2 ARG 82 - HB3 LYS 73 lone 3 52 - 6 - HD3 LYS 75 - HB2 LYS 83 lone 3 88 - 3 - HD2 LYS 75 - HB2 LYS 83 lone 3 88 - 3 - HG LEU 29 - HB2 LYS 85 lone 3 80 - 4 - HG2 ARG 23 - HB3 LYS 75 lone 3 90 - 3 - HG LEU 29 - HB3 LYS 75 lone 3 87 - 3 - HD3 LYS 13 - HB2 LYS 83 lone 3 88 - 3 - HD2 LYS 13 - HB2 LYS 83 lone 3 88 - 3 - HB2 ARG 82 - HB3 LYS 39 lone 2 57 - 4 - HG LEU 29 - HB2 LYS 83 lone 2 84 - 2 - HB3 GLN 61 - HB3 LYS 75 lone 2 89 - 2 - HB3 GLN 61 - HB3 LYS 73 lone 1 93 - 1 - HG2 ARG 23 - HB2 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HB2 LYS 13 lone 1 60 - 2 - HG2 ARG 23 - HB3 LYS 73 lone 1 93 - 1 - HB2 ARG 82 - HB2 LYS 85 lone 1 44 - 2 - HB3 GLN 61 - HB3 LYS 39 lone 1 98 - 1 - HB2 ARG 82 - HB3 LYS 75 lone 1 49 - 2 - HG2 ARG 23 - HB2 LYS 83 lone 1 87 - 1 - HG2 ARG 23 - HB2 LYS 85 lone 0 83 - 1 - HB3 GLN 61 - HB2 LYS 85 lone 0 82 - 0 - HB3 GLN 61 - HB2 LYS 83 lone 0 86 - 0 - Peak 1009 from cnoeabs.peaks (8.27, 1.68, 32.38 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.9=100 H LEU 86 - HB3 LYS 13 OK 18 99 - 18 - 5924/3.0=4, 4.7/1014=3...(5) H VAL 90 - HB3 LYS 13 lone 9 99 - 9 - 5924/3.0=4, 5277/1.8=2 H ASN 80 - HB3 LYS 13 lone 4 97 - 4 - 5924/3.0=1 Peak 1010 from cnoeabs.peaks (4.54, 1.68, 32.38 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HA LEU 43 + HB3 LYS 13 OK 71 99 - 72 - 1020/3.0=10, 467/3.9=9...(29) HA PRO 44 - HB3 LYS 13 OK 12 65 - 19 - 4.8/992=3, ~2072=2...(10) Peak 1011 from cnoeabs.peaks (1.79, 1.68, 32.38 ppm; 2.48 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 1.8=100 HB3 LYS 75 - HB3 LYS 13 OK 17 100 - 17 - 1021/3.0=2, 1002=1, 3.0/3072=1 HB2 LYS 85 - HB3 LYS 13 OK 13 95 - 14 - 2.9/1014=1, 1021/3.0=1, 1002=1 HB3 LYS 73 - HB3 LYS 13 OK 11 96 - 12 - 1021/3.0=1 HB3 LYS 39 - HB3 LYS 13 OK 11 99 - 11 - 1021/3.0=1 HB2 ARG 69 - HB3 LYS 13 lone 9 95 - 9 - 3.0/4819=1 HB ILE 33 - HB3 LYS 13 lone 6 81 - 8 - 3.2/4222=1 HB2 LEU 57 - HB3 LYS 13 lone 4 76 - 5 - HB3 LYS 32 - HB3 LYS 13 lone 4 90 - 4 - HB2 LYS 32 - HB3 LYS 13 lone 4 90 - 4 - HB2 LYS 83 - HB3 LYS 13 lone 4 99 - 3 - HB2 PRO 34 - HB3 LYS 13 lone 2 97 - 2 - HB3 ARG 84 - HB3 LYS 13 lone 2 95 - 2 - HB3 ARG 82 - HB3 LYS 13 lone 2 73 - 3 - HB2 ARG 54 - HB3 LYS 13 lone 1 73 - 1 - Peak 1012 from cnoeabs.peaks (1.68, 1.68, 32.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 Peak 1013 from cnoeabs.peaks (1.42, 1.68, 32.38 ppm; 4.18 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LEU 43 + HB3 LYS 13 OK 67 93 - 72 - 2017/3.0=12, 3.0/1010=12...(33) HG3 LYS 39 - HB3 LYS 13 OK 25 85 - 30 - 2.9/1011=3, 1875/1.8=2...(13) HG13 ILE 89 - HB3 LYS 13 OK 25 90 - 28 - ~5274=3, ~6149=3...(12) HG12 ILE 33 - HB3 LYS 13 OK 18 81 - 22 - 2.1/4222=5, 1033/3.0=2...(8) HB3 ARG 69 - HB3 LYS 13 OK 15 60 - 25 - 3.0/4819=4, 1.8/1011=2...(9) QB ALA 30 - HB3 LYS 13 OK 12 78 - 15 - 2.1/4842=3, 2.9/83=2...(4) Peak 1014 from cnoeabs.peaks (1.46, 1.68, 32.38 ppm; 4.07 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LEU 43 + HB3 LYS 13 OK 58 85 - 69 - 3.0/1010=11, 2017/3.0=11...(33) HG3 LYS 85 - HB3 LYS 13 OK 35 100 - 35 - 2.9/1011=3, 1030/3.0=3...(15) HG2 LYS 73 - HB3 LYS 13 OK 24 78 - 31 - 2.9/1011=3, 1024/3.0=2...(9) HG13 ILE 89 - HB3 LYS 13 OK 23 89 - 26 - ~5274=3, 1024/3.0=3...(12) HG12 ILE 33 - HB3 LYS 13 OK 21 96 - 22 - 2.1/4222=4, 1024/3.0=2...(7) HB3 LEU 57 - HB3 LYS 13 OK 15 96 - 15 - 1024/3.0=1, ~2438=1, 1.8/1011=1 QB ALA 30 - HB3 LYS 13 OK 15 97 - 15 - 2.1/4842=2, 2.9/83=2...(4) HB3 LEU 52 - HB3 LYS 13 OK 11 89 - 12 - 2266/4.8=4, 471/3.9=2 Peak 1015 from cnoeabs.peaks (1.67, 1.68, 32.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HB3 LYS 13 + HB3 LYS 13 OK 90 90 - 100 Reference assignment not found: HD2 LYS 13 - HB3 LYS 13 Peak 1016 from cnoeabs.peaks (1.67, 1.68, 32.38 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HB3 LYS 13 + HB3 LYS 13 OK 90 90 - 100 Reference assignment not found: HD3 LYS 13 - HB3 LYS 13 Peak 1020 from cnoeabs.peaks (4.54, 1.42, 24.46 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.9=100 HA LEU 43 + HG2 LYS 13 OK 76 99 - 77 - 1010/3.0=15, 467/4.9=10...(30) HA PRO 44 - HG2 LYS 13 OK 16 65 - 24 - 3.6/4403=6, 3.6/4400=4...(8) Peak 1021 from cnoeabs.peaks (1.79, 1.42, 24.46 ppm; 3.54 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HB3 LYS 75 - HG2 LYS 13 OK 39 100 - 40 - 1011/3.0=3, 1003=3...(21) HB3 LYS 39 - HG2 LYS 13 OK 28 99 - 28 - 1011/3.0=2, 1003=2...(7) HB2 LYS 85 - HG2 LYS 13 OK 26 95 - 28 - 1011/3.0=3, 2.9/1024=2...(11) HB3 LYS 73 - HG2 LYS 13 OK 26 96 - 27 - 1011/3.0=2, 2.9/1024=2...(6) HB ILE 33 - HG2 LYS 13 OK 18 81 - 22 - 1655/1.8=2, 3.0/1024=2...(9) HB2 ARG 69 - HG2 LYS 13 OK 15 95 - 15 - 1011/3.0=2, ~4819=1...(4) HB2 LEU 57 - HG2 LYS 13 poor 10 76 - 12 - 1.8/1024=1, 2438/1.8=1 HB3 LYS 32 - HG2 LYS 13 lone 8 90 - 9 - HB2 LYS 32 - HG2 LYS 13 lone 8 90 - 9 - HB2 LYS 83 - HG2 LYS 13 lone 7 99 - 7 - HB3 ARG 84 - HG2 LYS 13 lone 3 95 - 4 - HB2 PRO 34 - HG2 LYS 13 lone 3 97 - 3 - HB3 ARG 82 - HG2 LYS 13 lone 3 73 - 3 - HB2 ARG 54 - HG2 LYS 13 lone 2 73 - 2 - Peak 1022 from cnoeabs.peaks (1.68, 1.42, 24.46 ppm; 3.28 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.0=100 HD3 LYS 13 + HG2 LYS 13 OK 90 90 - 100 - 2.9=100 HD2 LYS 13 + HG2 LYS 13 OK 90 90 - 100 - 2.9=100 HD2 LYS 75 - HG2 LYS 13 OK 30 89 - 34 - 1043=3, 3.5/1021=3...(9) HD3 LYS 75 - HG2 LYS 13 OK 30 89 - 34 - 1043=3, 3.5/1021=3...(9) HB3 LEU 64 - HG2 LYS 13 lone 5 90 - 6 - HG LEU 29 - HG2 LYS 13 lone 5 99 - 5 - HB3 GLN 61 - HG2 LYS 13 lone 5 78 - 6 - ~2535=1 HB2 ARG 82 - HG2 LYS 13 lone 3 95 - 3 - HG2 ARG 23 - HG2 LYS 13 lone 2 97 - 2 - HG3 ARG 66 - HG2 LYS 13 lone 2 93 - 2 - HG2 ARG 70 - HG2 LYS 13 lone 1 65 - 1 - Peak 1023 from cnoeabs.peaks (1.42, 1.42, 24.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 Peak 1024 from cnoeabs.peaks (1.46, 1.42, 24.46 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HG3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 1.8=100 HB3 LEU 43 - HG2 LYS 13 OK 23 85 - 28 - 1.8/2012=3, 2017/3.9=3...(10) HG13 ILE 89 - HG2 LYS 13 OK 12 89 - 13 - 2.1/5274=2, 1.8/3623=2 HG3 LYS 85 - HG2 LYS 13 OK 11 100 - 11 - 2.9/1021=1, 1014/3.0=1 HG12 ILE 33 - HG2 LYS 13 lone 9 96 - 9 - HG2 LYS 73 - HG2 LYS 13 poor 9 78 - 11 - 2.9/1021=1 QB ALA 30 - HG2 LYS 13 lone 5 97 - 5 - HB3 LEU 57 - HG2 LYS 13 lone 5 96 - 5 - HB3 LEU 52 - HG2 LYS 13 lone 2 89 - 2 - Peak 1025 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 2.96 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 2.9=100 * HD2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 - 100 - 3.0=100 HD2 LYS 75 - HG2 LYS 13 OK 28 100 - 29 - 1043=3, 3.5/1021=2...(8) HD3 LYS 75 - HG2 LYS 13 OK 28 100 - 29 - 1043=3, 3.5/1021=2...(8) HB3 GLN 61 - HG2 LYS 13 lone 5 99 - 5 - ~2535=1 HG LEU 29 - HG2 LYS 13 lone 4 98 - 4 - HG2 ARG 23 - HG2 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HG2 LYS 13 lone 1 60 - 2 - Peak 1026 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 2.96 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 2.9=100 HD2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 - 100 - 3.0=100 HD2 LYS 75 - HG2 LYS 13 OK 28 100 - 29 - 1043=3, 3.5/1021=2...(8) HD3 LYS 75 - HG2 LYS 13 OK 28 100 - 29 - 1043=3, 3.5/1021=2...(8) HB3 GLN 61 - HG2 LYS 13 lone 5 99 - 5 - ~2535=1 HG LEU 29 - HG2 LYS 13 lone 4 98 - 4 - HG2 ARG 23 - HG2 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HG2 LYS 13 lone 1 60 - 2 - Peak 1027 from cnoeabs.peaks (2.97, 1.42, 24.46 ppm; 4.09 A): 4 out of 12 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 75 + HG2 LYS 13 OK 46 99 - 47 - 2.9/1025=3, 2.9/1025=3...(16) HE3 LYS 75 + HG2 LYS 13 OK 46 99 - 47 - 2.9/1025=3, 2.9/1025=3...(16) HE2 LYS 39 - HG2 LYS 13 OK 18 97 - 18 - 4.7/1021=2, 3.6/1867=2 HE3 LYS 39 - HG2 LYS 13 OK 18 96 - 18 - 4.7/1021=2, 3.6/1867=2 HE2 LYS 73 - HG2 LYS 13 OK 17 93 - 18 - 4.7/1021=2, 3.7/1024=2 HE3 LYS 73 - HG2 LYS 13 OK 17 92 - 18 - 4.7/1021=2, 3.7/1024=2 HE3 LYS 32 - HG2 LYS 13 poor 10 95 - 10 - HE2 LYS 32 - HG2 LYS 13 poor 10 93 - 10 - HB3 TYR 81 - HG2 LYS 13 lone 2 96 - 2 - HB3 TYR 55 - HG2 LYS 13 lone 1 63 - 2 - Peak 1028 from cnoeabs.peaks (2.96, 1.42, 24.46 ppm; 4.09 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 75 + HG2 LYS 13 OK 46 100 - 47 - 2.9/1025=3, 2.9/1025=3...(16) HE3 LYS 75 + HG2 LYS 13 OK 46 99 - 47 - 2.9/1025=3, 2.9/1025=3...(16) HE2 LYS 39 - HG2 LYS 13 OK 18 97 - 18 - 4.7/1021=2, 3.6/1867=2 HE3 LYS 39 - HG2 LYS 13 OK 17 95 - 18 - 4.7/1021=2, 3.6/1867=2 HE2 LYS 73 - HG2 LYS 13 OK 17 95 - 18 - 4.7/1021=2, 3.7/1024=2 HE3 LYS 73 - HG2 LYS 13 OK 17 93 - 18 - 4.7/1021=2, 3.7/1024=2 HE3 LYS 32 - HG2 LYS 13 OK 10 96 - 10 - HE2 LYS 32 - HG2 LYS 13 poor 10 95 - 10 - HB3 TYR 81 - HG2 LYS 13 lone 2 95 - 2 - HB3 TYR 55 - HG2 LYS 13 lone 1 65 - 2 - Peak 1030 from cnoeabs.peaks (4.54, 1.46, 24.46 ppm; 5.03 A): 2 out of 9 assignments used, quality = 1.00: * HA LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.9=100 HA LEU 43 + HG3 LYS 13 OK 73 99 - 75 - 1010/3.0=16, 467/4.9=10...(29) HA LYS 13 - HG3 LYS 85 OK 41 99 - 41 - 3.0/1014=5, 3.0/471=4...(14) HA LEU 43 - HG3 LYS 85 OK 33 96 - 34 - 2004/2.9=3, ~2018=3...(16) HA LYS 13 - HG2 LYS 73 OK 23 77 - 30 - 3.0/1014=3, 1000/2.9=3...(10) HA PRO 44 - HG3 LYS 13 OK 15 65 - 23 - 3.6/4400=4, 4.8/994=4...(9) HA PRO 44 - HG3 LYS 85 lone 5 63 - 8 - 3.6/4400=2, 3.6/4403=2 HA LEU 43 - HG2 LYS 73 lone 4 73 - 5 - HA PRO 44 - HG2 LYS 73 lone 1 43 - 2 - Peak 1031 from cnoeabs.peaks (1.79, 1.46, 24.46 ppm; 3.30 A): 3 out of 45 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.0=100 HB2 LYS 85 + HG3 LYS 85 OK 92 92 - 100 - 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 69 69 - 100 - 2.9=100 HB3 LYS 75 - HG3 LYS 13 OK 35 100 - 36 - 1011/3.0=3, 1004=2...(16) HB3 LYS 75 - HG2 LYS 73 OK 27 77 - 36 - 1.8/2972=2, 4.0/5849=2...(13) HB3 LYS 75 - HG3 LYS 85 OK 25 99 - 26 - 4.0/5849=2, 3.0/3464=2...(9) HB3 LYS 73 - HG3 LYS 85 OK 25 93 - 27 - 1.8/2972=2, 3299/2.9=2...(7) HB2 LYS 13 - HG3 LYS 85 OK 23 99 - 24 - 1.8/1014=3, 3.0/1024=2...(7) HB3 LYS 73 - HG3 LYS 13 OK 22 96 - 23 - 1011/3.0=2, 1.8/2972=2...(4) HB3 LYS 39 - HG3 LYS 13 OK 22 99 - 22 - 1011/3.0=2, 1004=1...(4) HB2 LYS 85 - HG3 LYS 13 OK 22 95 - 23 - 1.8/3448=3, 1011/3.0=2...(7) HB2 LYS 83 - HG3 LYS 85 OK 21 96 - 22 - 1.8/3448=3, 3.0/3428=2...(5) HB3 ARG 84 - HG3 LYS 85 OK 18 92 - 20 - 3385/2.9=2, 4.6/5849=2...(7) HB3 LYS 32 - HG2 LYS 73 OK 18 64 - 29 - 3.5/3012=1, 3.5/3022=1...(5) HB2 LYS 32 - HG2 LYS 73 OK 18 64 - 29 - 3.5/3012=1, 3.5/3022=1...(5) HB2 LYS 85 - HG2 LYS 73 OK 18 68 - 27 - 1.8/3448=2, 3.0/3428=2...(6) HB ILE 33 - HG3 LYS 13 OK 17 81 - 21 - 1655=2, 2.1/1662=2...(8) HB3 LYS 39 - HG2 LYS 73 OK 17 74 - 22 - 2982=1, ~1867=1 HB2 LYS 13 - HG2 LYS 73 OK 15 77 - 20 - 1.8/1014=2, 3.0/1024=2 HB2 ARG 69 - HG2 LYS 73 OK 13 68 - 20 - 2797/1.8=2, 2792/4.9=2...(5) HB2 ARG 69 - HG3 LYS 13 OK 13 95 - 14 - 1011/3.0=2, ~4819=1 HB3 ARG 84 - HG2 LYS 73 OK 12 68 - 18 - 3384/3.8=1, 3.0/2962=1 HB2 ARG 69 - HG3 LYS 85 OK 12 92 - 13 - 2797/1.8=2, ~2802=1 HB2 LEU 57 - HG3 LYS 13 OK 11 76 - 14 - 2438=2, 3.1/2459=1, 3.1/2466=1 HB3 LYS 39 - HG3 LYS 85 lone 9 97 - 9 - HB2 LEU 57 - HG2 LYS 73 poor 8 51 - 15 - 2438=2, 3.8/691=1...(6) HB3 LYS 32 - HG3 LYS 13 lone 8 90 - 8 - HB2 LYS 32 - HG3 LYS 13 lone 8 90 - 8 - HB2 LYS 83 - HG2 LYS 73 lone 7 73 - 10 - HB2 LYS 83 - HG3 LYS 13 lone 6 99 - 6 - HB2 LYS 32 - HG3 LYS 85 lone 4 87 - 5 - HB3 LYS 32 - HG3 LYS 85 lone 4 87 - 5 - HB3 ARG 82 - HG2 LYS 73 lone 4 49 - 8 - HB3 ARG 84 - HG3 LYS 13 lone 4 95 - 4 - HB ILE 33 - HG3 LYS 85 lone 3 77 - 4 - HB2 LEU 57 - HG3 LYS 85 lone 3 73 - 4 - HB2 ARG 54 - HG2 LYS 73 lone 3 49 - 5 - ~4967=1 HB2 PRO 34 - HG3 LYS 13 lone 3 97 - 3 - HB3 ARG 82 - HG3 LYS 85 lone 2 70 - 4 - HB3 ARG 82 - HG3 LYS 13 lone 2 73 - 3 - HB2 PRO 34 - HG2 LYS 73 lone 2 72 - 3 - HB2 PRO 34 - HG3 LYS 85 lone 2 95 - 2 - HB ILE 33 - HG2 LYS 73 lone 2 55 - 3 - HB2 ARG 54 - HG3 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HG3 LYS 85 lone 1 70 - 1 - Peak 1032 from cnoeabs.peaks (1.68, 1.46, 24.46 ppm; 3.39 A): 3 out of 36 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 90 90 - 100 - 2.9=100 HD3 LYS 13 + HG3 LYS 13 OK 90 90 - 100 - 2.9=100 HD3 LYS 75 - HG3 LYS 13 OK 31 89 - 35 - 1044=2, 1043/1.8=2...(15) HD2 LYS 75 - HG3 LYS 13 OK 31 89 - 35 - 1054=2, 1043/1.8=2...(15) HB3 LYS 13 - HG3 LYS 85 OK 26 99 - 27 - 1014=3, 1011/2.9=2...(7) HD3 LYS 75 - HG2 LYS 73 OK 24 62 - 39 - 1054=2, 1.8/1044=2...(10) HD2 LYS 75 - HG2 LYS 73 OK 24 62 - 39 - 1044=2, 1.8/1044=2...(10) HD3 LYS 13 - HG3 LYS 85 OK 20 87 - 23 - 2.9/1024=2, 3.5/1014=2...(5) HD2 LYS 13 - HG3 LYS 85 OK 20 87 - 23 - 2.9/1024=2, 3.5/1014=2...(5) HD3 LYS 13 - HG2 LYS 73 OK 20 64 - 31 - 2.9/1024=2, 3.5/1014=1...(4) HD2 LYS 13 - HG2 LYS 73 OK 20 64 - 31 - 2.9/1024=2, 3.5/1014=1...(4) HD3 LYS 75 - HG3 LYS 85 OK 18 86 - 21 - 5.9/5849=1, 1044=1...(6) HD2 LYS 75 - HG3 LYS 85 OK 18 86 - 21 - 5.9/5849=1, 1054=1...(6) HB3 LYS 13 - HG2 LYS 73 OK 18 77 - 23 - 1014=2, 1011/2.9=2...(4) HG LEU 29 - HG2 LYS 73 poor 8 74 - 10 - 1498/3.8=2, 3766/4.9=2 HG LEU 29 - HG3 LYS 13 lone 7 99 - 7 - HB2 ARG 82 - HG2 LYS 73 lone 6 68 - 10 - 3235/3.8=1, 3237/2.9=1 HB3 GLN 61 - HG3 LYS 13 lone 6 78 - 8 - ~2535=1, 1.8/4661=1 HB3 LEU 64 - HG3 LYS 13 lone 6 90 - 7 - HG LEU 29 - HG3 LYS 85 lone 6 97 - 6 - HB2 ARG 82 - HG3 LYS 85 lone 3 92 - 3 - HB2 ARG 82 - HG3 LYS 13 lone 3 95 - 3 - HG2 ARG 70 - HG3 LYS 85 lone 2 63 - 4 - 5488/4.8=1 HB3 LEU 64 - HG3 LYS 85 lone 2 87 - 3 - HB3 GLN 61 - HG2 LYS 73 lone 2 53 - 4 - HG2 ARG 23 - HG3 LYS 13 lone 2 97 - 2 - HG2 ARG 70 - HG2 LYS 73 lone 2 43 - 5 - HG3 ARG 66 - HG3 LYS 13 lone 2 93 - 2 - HB3 LEU 64 - HG2 LYS 73 lone 2 64 - 3 - HG2 ARG 23 - HG2 LYS 73 lone 1 70 - 2 - HB3 GLN 61 - HG3 LYS 85 lone 1 75 - 1 - HG2 ARG 23 - HG3 LYS 85 lone 1 94 - 1 - HG3 ARG 66 - HG3 LYS 85 lone 1 90 - 1 - HG3 ARG 66 - HG2 LYS 73 lone 1 67 - 1 - HG2 ARG 70 - HG3 LYS 13 lone 1 65 - 1 - Peak 1033 from cnoeabs.peaks (1.42, 1.46, 24.46 ppm; 2.40 A): 1 out of 21 assignments used, quality = 1.00: * HG2 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 1.8=100 HB3 LEU 43 - HG3 LYS 13 OK 25 93 - 27 - 2017/3.9=3, 1.8/2012=2...(12) HG13 ILE 89 - HG3 LYS 13 OK 12 90 - 13 - 1.8/3623=2, ~5274=1 HG2 LYS 13 - HG3 LYS 85 OK 10 99 - 11 - 1021/2.9=1, 3.0/1014=1 HG3 LYS 39 - HG3 LYS 13 lone 8 85 - 10 - HG2 LYS 13 - HG2 LYS 73 poor 8 77 - 11 - 1021/2.9=1 HG13 ILE 89 - HG2 LYS 73 poor 8 64 - 13 - ~5274=2, 3627/2.9=2...(5) HG12 ILE 33 - HG3 LYS 13 lone 8 81 - 10 - 2.1/1683=1, 1.8/1676=1 HB3 LEU 43 - HG3 LYS 85 lone 7 90 - 8 - 2018/2.9=1, 1.8/2012=1 HG13 ILE 89 - HG3 LYS 85 lone 6 87 - 7 - 1.8/3623=1 HG3 LYS 39 - HG2 LYS 73 lone 5 59 - 9 - QB ALA 30 - HG3 LYS 13 lone 4 78 - 5 - 2.1/1520=1 HB3 ARG 69 - HG2 LYS 73 lone 4 39 - 9 - HB3 ARG 69 - HG3 LYS 13 lone 3 60 - 5 - HB3 ARG 69 - HG3 LYS 85 lone 3 57 - 5 - HG3 LYS 39 - HG3 LYS 85 lone 3 82 - 3 - QB ALA 30 - HG3 LYS 85 lone 2 75 - 2 - HG12 ILE 33 - HG3 LYS 85 lone 2 77 - 2 - HB3 LEU 43 - HG2 LYS 73 lone 1 67 - 1 - HG12 ILE 33 - HG2 LYS 73 lone 1 55 - 1 - QB ALA 30 - HG2 LYS 73 lone 1 53 - 1 - Peak 1034 from cnoeabs.peaks (1.46, 1.46, 24.46 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG3 LYS 85 + HG3 LYS 85 OK 98 98 - 100 HG2 LYS 73 + HG2 LYS 73 OK 53 53 - 100 Peak 1035 from cnoeabs.peaks (1.67, 1.46, 24.46 ppm; 2.89 A): 3 out of 27 assignments used, quality = 1.00: * HD2 LYS 13 + HG3 LYS 13 OK 97 100 - 97 - 2.9=95, 1053/1.8=7...(14) HD3 LYS 13 + HG3 LYS 13 OK 97 100 - 97 - 2.9=95, 1053/1.8=7...(14) HB3 LYS 13 + HG3 LYS 13 OK 86 90 - 95 - 3.0=93, 3.9/471=4...(13) HD3 LYS 75 - HG3 LYS 13 OK 27 100 - 27 - 1044=3, 1043/1.8=2...(9) HD2 LYS 75 - HG3 LYS 13 OK 27 100 - 27 - 1054=3, 1053/1.8=2...(9) HD2 LYS 75 - HG2 LYS 73 OK 22 77 - 30 - 1044=2, 1.8/1044=1, 3.5/2972=1 HD3 LYS 75 - HG2 LYS 73 OK 22 77 - 30 - 1054=2, 1.8/1044=1, 3.5/2972=1 HD3 LYS 13 - HG2 LYS 73 OK 18 77 - 23 - 1044=2, 2.9/1024=1...(4) HD2 LYS 13 - HG2 LYS 73 OK 18 77 - 23 - 1044=2, 2.9/1024=1...(4) HD3 LYS 13 - HG3 LYS 85 OK 17 99 - 17 - 2.9/1024=2, 1044=2...(4) HD2 LYS 13 - HG3 LYS 85 OK 17 99 - 17 - 2.9/1024=2, 1054=2...(4) HB3 LYS 13 - HG3 LYS 85 OK 16 87 - 19 - 1014=2, 1011/2.9=2...(5) HD2 LYS 75 - HG3 LYS 85 OK 16 99 - 16 - 1044=1 HD3 LYS 75 - HG3 LYS 85 OK 16 99 - 16 - 1054=1 HB3 LYS 13 - HG2 LYS 73 OK 10 64 - 16 - 1011/2.9=1, 3.0/1024=1, 1014=1 HB3 GLN 61 - HG3 LYS 13 lone 6 99 - 6 - HG LEU 29 - HG2 LYS 73 lone 5 73 - 7 - 1498/3.8=1, 3766/4.9=1 HG LEU 29 - HG3 LYS 13 lone 5 98 - 5 - HG LEU 29 - HG3 LYS 85 lone 4 96 - 4 - HB2 ARG 82 - HG2 LYS 73 lone 2 39 - 6 - HB3 GLN 61 - HG2 LYS 73 lone 2 75 - 3 - HG2 ARG 23 - HG3 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HG3 LYS 85 lone 1 57 - 2 - HB3 GLN 61 - HG3 LYS 85 lone 1 98 - 1 - HB2 ARG 82 - HG3 LYS 13 lone 1 60 - 2 - HG2 ARG 23 - HG2 LYS 73 lone 1 75 - 1 - HG2 ARG 23 - HG3 LYS 85 lone 1 98 - 1 - Peak 1036 from cnoeabs.peaks (1.67, 1.46, 24.46 ppm; 2.89 A): 3 out of 27 assignments used, quality = 1.00: HD2 LYS 13 + HG3 LYS 13 OK 97 100 - 97 - 2.9=95, 1053/1.8=7...(14) * HD3 LYS 13 + HG3 LYS 13 OK 97 100 - 97 - 2.9=95, 1053/1.8=7...(14) HB3 LYS 13 + HG3 LYS 13 OK 86 90 - 95 - 3.0=93, 3.9/471=4...(13) HD3 LYS 75 - HG3 LYS 13 OK 27 100 - 27 - 1044=3, 1043/1.8=2...(9) HD2 LYS 75 - HG3 LYS 13 OK 27 100 - 27 - 1054=3, 1053/1.8=2...(9) HD2 LYS 75 - HG2 LYS 73 OK 22 77 - 30 - 1044=2, 1.8/1044=1, 3.5/2972=1 HD3 LYS 75 - HG2 LYS 73 OK 22 77 - 30 - 1054=2, 1.8/1044=1, 3.5/2972=1 HD3 LYS 13 - HG2 LYS 73 OK 18 77 - 23 - 1044=2, 2.9/1024=1...(4) HD2 LYS 13 - HG2 LYS 73 OK 18 77 - 23 - 1044=2, 2.9/1024=1...(4) HD3 LYS 13 - HG3 LYS 85 OK 17 99 - 17 - 2.9/1024=2, 1044=2...(4) HD2 LYS 13 - HG3 LYS 85 OK 17 99 - 17 - 2.9/1024=2, 1054=2...(4) HB3 LYS 13 - HG3 LYS 85 OK 16 87 - 19 - 1014=2, 1011/2.9=2...(5) HD2 LYS 75 - HG3 LYS 85 OK 16 99 - 16 - 1044=1 HD3 LYS 75 - HG3 LYS 85 OK 16 99 - 16 - 1054=1 HB3 LYS 13 - HG2 LYS 73 OK 10 64 - 16 - 1011/2.9=1, 3.0/1024=1, 1014=1 HB3 GLN 61 - HG3 LYS 13 lone 6 99 - 6 - HG LEU 29 - HG2 LYS 73 lone 5 73 - 7 - 1498/3.8=1, 3766/4.9=1 HG LEU 29 - HG3 LYS 13 lone 5 98 - 5 - HG LEU 29 - HG3 LYS 85 lone 4 96 - 4 - HB2 ARG 82 - HG2 LYS 73 lone 2 39 - 6 - HB3 GLN 61 - HG2 LYS 73 lone 2 75 - 3 - HG2 ARG 23 - HG3 LYS 13 lone 1 100 - 1 - HB2 ARG 82 - HG3 LYS 85 lone 1 57 - 2 - HB3 GLN 61 - HG3 LYS 85 lone 1 98 - 1 - HB2 ARG 82 - HG3 LYS 13 lone 1 60 - 2 - HG2 ARG 23 - HG2 LYS 73 lone 1 75 - 1 - HG2 ARG 23 - HG3 LYS 85 lone 1 98 - 1 - Peak 1037 from cnoeabs.peaks (2.97, 1.46, 24.46 ppm; 3.81 A): 4 out of 36 assignments used, quality = 1.00: * HE2 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.8=100 HE3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 67 67 - 100 - 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 65 65 - 100 - 3.7=100 HE2 LYS 75 - HG3 LYS 13 OK 42 99 - 43 - 2.9/1044=2, 2.9/1054=2...(15) HE3 LYS 75 - HG3 LYS 13 OK 42 99 - 43 - 2.9/1054=2, 2.9/1044=2...(15) HE2 LYS 75 - HG2 LYS 73 OK 33 75 - 44 - 3032=2, 1.8/3042=2...(9) HE3 LYS 75 - HG2 LYS 73 OK 32 74 - 44 - 3032=2, 1.8/3042=2...(9) HE2 LYS 13 - HG2 LYS 73 OK 22 77 - 29 - 3.8/1024=2, 2.9/1035=1...(5) HE3 LYS 13 - HG2 LYS 73 OK 22 77 - 29 - 3.8/1024=2, 2.9/1035=1...(5) HE2 LYS 75 - HG3 LYS 85 OK 22 98 - 22 - 6.7/5849=1, 3.5/3467=1...(5) HE3 LYS 75 - HG3 LYS 85 OK 22 97 - 22 - 6.7/5849=1, 3.5/3467=1...(5) HE3 LYS 32 - HG2 LYS 73 OK 20 68 - 30 - 3.0/3022=2, 3.0/3012=2...(4) HE2 LYS 32 - HG2 LYS 73 OK 20 67 - 30 - 3.0/3022=2, 3.0/3022=2...(4) HE2 LYS 13 - HG3 LYS 85 OK 19 99 - 19 - 3.8/1024=2, 5.2/1014=2...(5) HE3 LYS 13 - HG3 LYS 85 OK 19 99 - 19 - 3.8/1024=2, 5.2/1014=2...(5) HE2 LYS 73 - HG3 LYS 85 OK 15 90 - 17 - 3.7/3458=1, 4.7/2972=1 HE3 LYS 73 - HG3 LYS 85 OK 15 89 - 17 - 3.7/3458=1, 4.7/2972=1 HE2 LYS 73 - HG3 LYS 13 OK 14 93 - 15 - HE3 LYS 73 - HG3 LYS 13 OK 14 92 - 15 - HE2 LYS 39 - HG3 LYS 13 OK 13 97 - 13 - 3.6/1033=1 HE3 LYS 39 - HG3 LYS 13 OK 13 96 - 13 - 3.6/1033=1 HE2 LYS 39 - HG2 LYS 73 OK 12 72 - 17 - HE3 LYS 39 - HG2 LYS 73 OK 12 69 - 18 - HE3 LYS 32 - HG3 LYS 13 lone 8 95 - 8 - HE2 LYS 32 - HG3 LYS 13 lone 8 93 - 8 - HE3 LYS 32 - HG3 LYS 85 lone 5 92 - 6 - HE2 LYS 32 - HG3 LYS 85 lone 5 90 - 6 - HE2 LYS 39 - HG3 LYS 85 lone 5 95 - 5 - HE3 LYS 39 - HG3 LYS 85 lone 5 93 - 5 - HB3 TYR 81 - HG2 LYS 73 lone 4 69 - 6 - ~4685=2, 5459/3.8=1, ~4683=1 HB3 TYR 81 - HG3 LYS 85 lone 2 93 - 2 - HB3 TYR 81 - HG3 LYS 13 lone 1 96 - 1 - HB3 TYR 55 - HG3 LYS 13 lone 1 63 - 2 - HB3 TYR 55 - HG2 LYS 73 lone 1 41 - 3 - HB3 TYR 55 - HG3 LYS 85 lone 1 60 - 1 - Peak 1038 from cnoeabs.peaks (2.96, 1.46, 24.46 ppm; 3.81 A): 4 out of 36 assignments used, quality = 1.00: * HE3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 100 100 - 100 - 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 68 68 - 100 - 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 67 67 - 100 - 3.7=100 HE2 LYS 75 - HG3 LYS 13 OK 42 100 - 43 - 2.9/1044=2, 2.9/1054=2...(15) HE3 LYS 75 - HG3 LYS 13 OK 42 99 - 43 - 2.9/1044=2, 2.9/1054=2...(15) HE2 LYS 75 - HG2 LYS 73 OK 33 75 - 44 - 3032=2, 1.8/3042=2...(9) HE3 LYS 75 - HG2 LYS 73 OK 33 75 - 44 - 3032=2, 1.8/3042=2...(9) HE2 LYS 13 - HG2 LYS 73 OK 22 77 - 29 - 3.8/1024=2, 2.9/1035=1...(5) HE3 LYS 13 - HG2 LYS 73 OK 22 77 - 29 - 3.8/1024=2, 2.9/1035=1...(5) HE2 LYS 75 - HG3 LYS 85 OK 22 98 - 22 - 6.7/5849=1, 3.5/3467=1...(5) HE3 LYS 75 - HG3 LYS 85 OK 22 98 - 22 - 6.7/5849=1, 3.5/3467=1...(5) HE3 LYS 32 - HG2 LYS 73 OK 21 69 - 30 - 3.0/3022=2, 3.0/3022=2...(4) HE2 LYS 32 - HG2 LYS 73 OK 20 68 - 30 - 3.0/3022=2, 3.0/3022=2...(4) HE2 LYS 13 - HG3 LYS 85 OK 19 99 - 19 - 3.8/1024=2, 5.2/1014=2...(5) HE3 LYS 13 - HG3 LYS 85 OK 19 99 - 19 - 3.8/1024=2, 5.2/1014=2...(5) HE2 LYS 73 - HG3 LYS 85 OK 16 92 - 17 - 3.7/3458=1, 4.7/2972=1 HE3 LYS 73 - HG3 LYS 85 OK 15 90 - 17 - 3.7/3458=1, 4.7/2972=1 HE2 LYS 73 - HG3 LYS 13 OK 14 95 - 15 - HE3 LYS 73 - HG3 LYS 13 OK 14 93 - 15 - HE2 LYS 39 - HG3 LYS 13 OK 13 97 - 13 - 3.6/1033=1 HE3 LYS 39 - HG3 LYS 13 OK 13 95 - 13 - 3.6/1033=1 HE2 LYS 39 - HG2 LYS 73 OK 12 70 - 17 - HE3 LYS 39 - HG2 LYS 73 OK 12 68 - 18 - HE3 LYS 32 - HG3 LYS 13 lone 8 96 - 8 - HE2 LYS 32 - HG3 LYS 13 lone 8 95 - 8 - HE3 LYS 32 - HG3 LYS 85 lone 5 93 - 6 - HE2 LYS 32 - HG3 LYS 85 lone 5 92 - 6 - HE2 LYS 39 - HG3 LYS 85 lone 5 94 - 5 - HE3 LYS 39 - HG3 LYS 85 lone 5 92 - 5 - HB3 TYR 81 - HG2 LYS 73 lone 4 68 - 6 - ~4685=2, 5459/3.8=1, ~4683=1 HB3 TYR 81 - HG3 LYS 85 lone 2 92 - 2 - HB3 TYR 55 - HG3 LYS 13 lone 1 65 - 2 - HB3 TYR 81 - HG3 LYS 13 lone 1 95 - 1 - HB3 TYR 55 - HG2 LYS 73 lone 1 43 - 3 - HB3 TYR 55 - HG3 LYS 85 lone 1 63 - 1 - Peak 1040 from cnoeabs.peaks (4.54, 1.67, 28.78 ppm; 4.89 A): 4 out of 12 assignments used, quality = 1.00: HA LYS 13 + HD3 LYS 13 OK 92 100 - 92 - 5.4=74, 993/2.9=10...(20) * HA LYS 13 + HD2 LYS 13 OK 92 100 - 92 - 5.4=74, 993/2.9=10...(20) HA LEU 43 + HD2 LYS 13 OK 60 99 - 61 - 1010/3.5=14, 1020/2.9=13...(18) HA LEU 43 + HD3 LYS 13 OK 60 99 - 61 - 1010/3.5=14, 1020/2.9=13...(18) HA LYS 13 - HD2 LYS 75 OK 41 100 - 41 - 995=3, 3.9/1025=3...(10) HA LYS 13 - HD3 LYS 75 OK 41 100 - 41 - 995=3, 3.9/1026=3...(10) HA PRO 44 - HD2 LYS 13 poor 8 65 - 13 - 1020/2.9=3, 1010/3.5=2...(6) HA PRO 44 - HD3 LYS 13 poor 8 65 - 13 - 1020/2.9=3, 1010/3.5=2...(6) HA LEU 43 - HD2 LYS 75 lone 6 99 - 7 - HA LEU 43 - HD3 LYS 75 lone 6 99 - 7 - HA PRO 44 - HD3 LYS 75 lone 2 65 - 2 - HA PRO 44 - HD2 LYS 75 lone 2 65 - 2 - Peak 1041 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.52 A): 8 out of 60 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 100 100 - 100 - 3.5=100 * HB2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3073=4...(18) HB3 LYS 75 + HD3 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3073=4...(18) HB3 LYS 39 + HD3 LYS 75 OK 45 99 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 39 + HD2 LYS 75 OK 45 99 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 73 - HD3 LYS 75 OK 38 96 - 40 - 1.8/3118=2, 3069/4.7=2...(13) HB3 LYS 73 - HD2 LYS 75 OK 38 96 - 40 - 1.8/3118=2, 3069/4.7=2...(13) HB2 LYS 13 - HD2 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1054=2...(19) HB2 LYS 13 - HD3 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1044=2...(19) HB3 LYS 39 - HD3 LYS 13 OK 31 99 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 39 - HD2 LYS 13 OK 31 99 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 73 - HD2 LYS 13 OK 30 96 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 73 - HD3 LYS 13 OK 30 96 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB2 LYS 85 - HD2 LYS 13 OK 23 95 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD3 LYS 13 OK 23 95 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD2 LYS 75 OK 21 94 - 23 - 3069/4.7=1, ~3447=1 HB2 LYS 85 - HD3 LYS 75 OK 21 94 - 23 - 3069/4.7=1, ~3447=1 HB2 ARG 69 - HD3 LYS 75 OK 15 94 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB2 ARG 69 - HD2 LYS 75 OK 15 94 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB ILE 33 - HD2 LYS 13 OK 11 81 - 14 - 1021/2.9=2, 3.2/4222=2...(5) HB ILE 33 - HD3 LYS 13 OK 11 81 - 14 - 1021/2.9=2, 3.2/4222=2...(5) HB2 LEU 57 - HD2 LYS 13 OK 11 76 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LEU 57 - HD3 LYS 13 OK 11 76 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LYS 32 - HD3 LYS 75 poor 10 90 - 11 - HB3 LYS 32 - HD2 LYS 75 poor 10 90 - 11 - HB3 LYS 32 - HD3 LYS 75 poor 10 90 - 11 - HB2 LYS 32 - HD2 LYS 75 poor 10 90 - 11 - HB2 LYS 32 - HD3 LYS 13 lone 9 90 - 10 - HB2 LYS 32 - HD2 LYS 13 lone 9 90 - 10 - HB3 LYS 32 - HD2 LYS 13 lone 9 90 - 10 - HB3 LYS 32 - HD3 LYS 13 lone 9 90 - 10 - HB2 ARG 69 - HD2 LYS 13 lone 9 95 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 ARG 69 - HD3 LYS 13 lone 9 95 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 LYS 83 - HD3 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 13 lone 6 99 - 6 - HB2 LYS 83 - HD3 LYS 13 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 75 lone 5 76 - 7 - 3.1/4985=1 HB2 LEU 57 - HD3 LYS 75 lone 5 76 - 7 - 3.1/4985=1 HB3 ARG 84 - HD3 LYS 75 lone 3 94 - 3 - HB3 ARG 84 - HD2 LYS 75 lone 3 94 - 3 - HB2 PRO 34 - HD3 LYS 13 lone 3 97 - 3 - HB2 PRO 34 - HD2 LYS 13 lone 3 97 - 3 - HB3 ARG 84 - HD2 LYS 13 lone 3 95 - 3 - HB3 ARG 84 - HD3 LYS 13 lone 3 95 - 3 - HB2 PRO 34 - HD2 LYS 75 lone 2 97 - 3 - HB2 PRO 34 - HD3 LYS 75 lone 2 97 - 3 - HB ILE 33 - HD3 LYS 75 lone 2 81 - 3 - HB ILE 33 - HD2 LYS 75 lone 2 81 - 3 - HB3 ARG 82 - HD3 LYS 13 lone 2 73 - 3 - HB3 ARG 82 - HD2 LYS 13 lone 2 73 - 3 - HB2 ARG 54 - HD3 LYS 75 lone 2 73 - 3 - HB2 ARG 54 - HD2 LYS 75 lone 2 73 - 3 - HB3 ARG 82 - HD3 LYS 75 lone 1 73 - 2 - HB3 ARG 82 - HD2 LYS 75 lone 1 73 - 2 - HB2 ARG 54 - HD2 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HD3 LYS 13 lone 1 73 - 2 - Peak 1042 from cnoeabs.peaks (1.68, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 90 90 - 100 HD2 LYS 13 + HD2 LYS 13 OK 90 90 - 100 HD3 LYS 75 + HD3 LYS 75 OK 89 89 - 100 HD2 LYS 75 + HD2 LYS 75 OK 89 89 - 100 Reference assignment not found: HB3 LYS 13 - HD2 LYS 13 Peak 1043 from cnoeabs.peaks (1.42, 1.67, 28.78 ppm; 2.82 A): 2 out of 28 assignments used, quality = 0.99: HG2 LYS 13 + HD3 LYS 13 OK 92 100 - 92 - 2.9=88, 1.8/1036=6...(9) * HG2 LYS 13 + HD2 LYS 13 OK 92 100 - 92 - 2.9=88, 1.8/1035=6...(9) HG2 LYS 13 - HD3 LYS 75 OK 27 100 - 27 - 1025=3, 1026/1.8=2...(6) HG2 LYS 13 - HD2 LYS 75 OK 27 100 - 27 - 1026=3, 1026/1.8=2...(6) HB3 LEU 43 - HD2 LYS 13 OK 25 93 - 27 - 1013/3.5=3, 1033/2.9=3...(11) HB3 LEU 43 - HD3 LYS 13 OK 25 93 - 27 - 1013/3.5=3, 1033/2.9=3...(11) HG3 LYS 39 - HD2 LYS 75 OK 23 85 - 28 - 1874/3.5=2, ~1867=2...(7) HG3 LYS 39 - HD3 LYS 75 OK 23 85 - 28 - 1874/3.5=2, ~1867=2...(7) HG3 LYS 39 - HD2 LYS 13 OK 16 85 - 18 - 1013/3.5=1 HG3 LYS 39 - HD3 LYS 13 OK 16 85 - 18 - 1013/3.5=1 HG13 ILE 89 - HD3 LYS 13 OK 11 90 - 12 - 1033/2.9=1, ~5274=1, 1013/3.5=1 HG13 ILE 89 - HD2 LYS 13 OK 11 90 - 12 - 1033/2.9=1, ~5274=1, 1013/3.5=1 HG12 ILE 33 - HD2 LYS 13 lone 7 81 - 9 - 2.1/4222=1 HG12 ILE 33 - HD3 LYS 13 lone 7 81 - 9 - 2.1/4222=1 QB ALA 30 - HD3 LYS 13 lone 5 78 - 7 - 2.9/83=1 QB ALA 30 - HD2 LYS 13 lone 5 78 - 7 - 2.9/83=1 HB3 ARG 69 - HD3 LYS 75 lone 5 60 - 9 - HB3 ARG 69 - HD2 LYS 75 lone 5 60 - 9 - HG13 ILE 89 - HD3 LYS 75 lone 4 90 - 4 - HG13 ILE 89 - HD2 LYS 75 lone 4 90 - 4 - HB3 ARG 69 - HD3 LYS 13 lone 3 60 - 5 - HB3 ARG 69 - HD2 LYS 13 lone 3 60 - 5 - HB3 LEU 43 - HD2 LYS 75 lone 2 93 - 2 - HB3 LEU 43 - HD3 LYS 75 lone 2 93 - 2 - QB ALA 30 - HD3 LYS 75 lone 2 78 - 3 - QB ALA 30 - HD2 LYS 75 lone 2 78 - 3 - HG12 ILE 33 - HD2 LYS 75 lone 1 81 - 2 - HG12 ILE 33 - HD3 LYS 75 lone 1 81 - 2 - Peak 1044 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 2.77 A): 2 out of 36 assignments used, quality = 0.99: HG3 LYS 13 + HD3 LYS 13 OK 89 100 - 89 - 2.9=84, 1036/1.8=6...(10) * HG3 LYS 13 + HD2 LYS 13 OK 89 100 - 89 - 2.9=84, 1035/1.8=6...(10) HG3 LYS 13 - HD3 LYS 75 OK 26 100 - 26 - 1.8/1025=2, 1035=2...(8) HG3 LYS 13 - HD2 LYS 75 OK 26 100 - 26 - 1.8/1025=2, 1036=2...(8) HB3 LEU 43 - HD2 LYS 13 OK 21 85 - 25 - 1024/2.9=3, 2017/5.4=2...(8) HB3 LEU 43 - HD3 LYS 13 OK 21 85 - 25 - 1024/2.9=3, 2017/5.4=2...(8) HG2 LYS 73 - HD2 LYS 75 OK 21 78 - 27 - 1036=2, 1036/1.8=1...(4) HG2 LYS 73 - HD3 LYS 75 OK 21 78 - 27 - 1035=2, 1036/1.8=1...(4) HG2 LYS 73 - HD2 LYS 13 OK 16 78 - 20 - 1036=1, 1024/2.9=1, 1036/1.8=1 HG2 LYS 73 - HD3 LYS 13 OK 16 78 - 20 - 1036=1, 1024/2.9=1, 1036/1.8=1 HG3 LYS 85 - HD3 LYS 13 OK 16 100 - 16 - 1024/2.9=2, 1036=1, 1014/3.5=1 HG3 LYS 85 - HD2 LYS 13 OK 16 100 - 16 - 1024/2.9=2, 1036=1, 1014/3.5=1 HG3 LYS 85 - HD3 LYS 75 OK 14 100 - 14 - 1036=1 HG3 LYS 85 - HD2 LYS 75 OK 14 100 - 14 - 1035=1 HG13 ILE 89 - HD2 LYS 13 OK 10 89 - 12 - 1024/2.9=2, ~5274=1 HG13 ILE 89 - HD3 LYS 13 OK 10 89 - 12 - 1024/2.9=2, ~5274=1 HG12 ILE 33 - HD3 LYS 13 lone 9 96 - 9 - 1024/2.9=1, 2.1/4222=1 HG12 ILE 33 - HD2 LYS 13 lone 9 96 - 9 - 1024/2.9=1, 2.1/4222=1 HB3 LEU 57 - HD2 LYS 13 lone 8 96 - 9 - 3.1/4985=1 HB3 LEU 57 - HD3 LYS 13 lone 8 96 - 9 - 3.1/4985=1 QB ALA 30 - HD3 LYS 13 lone 7 97 - 7 - 2.9/83=1 QB ALA 30 - HD2 LYS 13 lone 7 97 - 7 - 2.9/83=1 HB3 LEU 57 - HD3 LYS 75 lone 4 96 - 4 - HB3 LEU 57 - HD2 LYS 75 lone 4 96 - 4 - HG13 ILE 89 - HD3 LYS 75 lone 4 89 - 5 - HG13 ILE 89 - HD2 LYS 75 lone 4 89 - 5 - QB ALA 30 - HD2 LYS 75 lone 3 97 - 3 - QB ALA 30 - HD3 LYS 75 lone 3 97 - 3 - HB3 LEU 52 - HD3 LYS 13 lone 3 89 - 3 - HB3 LEU 52 - HD2 LYS 13 lone 3 89 - 3 - HB3 LEU 43 - HD3 LYS 75 lone 2 85 - 2 - HB3 LEU 43 - HD2 LYS 75 lone 2 85 - 2 - HG12 ILE 33 - HD3 LYS 75 lone 2 96 - 2 - HG12 ILE 33 - HD2 LYS 75 lone 2 96 - 2 - HB3 LEU 52 - HD3 LYS 75 lone 1 89 - 1 - HB3 LEU 52 - HD2 LYS 75 lone 1 89 - 1 - Peak 1045 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Peak 1046 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 1047 from cnoeabs.peaks (2.97, 1.67, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1043=3...(17) * HE2 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1043=3...(17) HE3 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 85 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 85 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 39 - HD2 LYS 75 OK 10 97 - 11 - HE2 LYS 39 - HD3 LYS 75 OK 10 97 - 11 - HE3 LYS 39 - HD3 LYS 75 OK 10 96 - 11 - HE3 LYS 39 - HD2 LYS 75 OK 10 96 - 11 - HE2 LYS 73 - HD2 LYS 75 poor 10 93 - 11 - HE2 LYS 73 - HD3 LYS 75 poor 10 93 - 11 - HE3 LYS 73 - HD3 LYS 75 poor 10 92 - 11 - HE3 LYS 73 - HD2 LYS 75 poor 10 92 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 7 93 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 7 93 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 7 92 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 7 92 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 7 97 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 7 97 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 7 96 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 7 96 - 7 - HE3 LYS 32 - HD2 LYS 75 lone 5 94 - 5 - HE3 LYS 32 - HD3 LYS 75 lone 5 94 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 93 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 93 - 5 - HE3 LYS 32 - HD3 LYS 13 lone 4 95 - 4 - HE3 LYS 32 - HD2 LYS 13 lone 4 95 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 93 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 93 - 4 - HB3 TYR 81 - HD2 LYS 75 lone 1 96 - 1 - HB3 TYR 81 - HD3 LYS 75 lone 1 96 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 63 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 63 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 96 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 96 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 63 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 63 - 1 - Peak 1048 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) * HE3 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE2 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 39 - HD2 LYS 75 OK 10 97 - 11 - HE2 LYS 39 - HD3 LYS 75 OK 10 97 - 11 - HE2 LYS 73 - HD3 LYS 75 OK 10 94 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 10 94 - 11 - HE3 LYS 39 - HD2 LYS 75 OK 10 94 - 11 - HE3 LYS 39 - HD3 LYS 75 OK 10 94 - 11 - HE3 LYS 73 - HD2 LYS 75 poor 10 93 - 11 - HE3 LYS 73 - HD3 LYS 75 poor 10 93 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 95 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 95 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 93 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 93 - 8 - HE2 LYS 39 - HD3 LYS 13 lone 7 97 - 7 - HE2 LYS 39 - HD2 LYS 13 lone 7 97 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 7 95 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 7 95 - 7 - HE3 LYS 32 - HD2 LYS 75 lone 5 96 - 5 - HE3 LYS 32 - HD3 LYS 75 lone 5 96 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 94 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 94 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 96 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 96 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 95 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 95 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 94 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 94 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 65 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 65 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 95 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 95 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 65 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 65 - 1 - Peak 1050 from cnoeabs.peaks (4.54, 1.67, 28.78 ppm; 4.89 A): 4 out of 12 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 92 100 - 92 - 5.4=74, 993/2.9=10...(20) HA LYS 13 + HD2 LYS 13 OK 92 100 - 92 - 5.4=74, 993/2.9=10...(20) HA LEU 43 + HD2 LYS 13 OK 60 99 - 61 - 1010/3.5=14, 1020/2.9=13...(18) HA LEU 43 + HD3 LYS 13 OK 60 99 - 61 - 1010/3.5=14, 1020/2.9=13...(18) HA LYS 13 - HD2 LYS 75 OK 41 100 - 41 - 995=3, 3.9/1025=3...(10) HA LYS 13 - HD3 LYS 75 OK 41 100 - 41 - 995=3, 3.9/1026=3...(10) HA PRO 44 - HD2 LYS 13 poor 8 65 - 13 - 1020/2.9=3, 1010/3.5=2...(6) HA PRO 44 - HD3 LYS 13 poor 8 65 - 13 - 1020/2.9=3, 1010/3.5=2...(6) HA LEU 43 - HD2 LYS 75 lone 6 99 - 7 - HA LEU 43 - HD3 LYS 75 lone 6 99 - 7 - HA PRO 44 - HD3 LYS 75 lone 2 65 - 2 - HA PRO 44 - HD2 LYS 75 lone 2 65 - 2 - Peak 1051 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.52 A): 8 out of 60 assignments used, quality = 1.00: * HB2 LYS 13 + HD3 LYS 13 OK 100 100 - 100 - 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3073=4...(18) HB3 LYS 75 + HD3 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3073=4...(18) HB3 LYS 39 + HD3 LYS 75 OK 45 99 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 39 + HD2 LYS 75 OK 45 99 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 73 - HD3 LYS 75 OK 38 96 - 40 - 1.8/3118=2, 3069/4.7=2...(13) HB3 LYS 73 - HD2 LYS 75 OK 38 96 - 40 - 1.8/3118=2, 3069/4.7=2...(13) HB2 LYS 13 - HD2 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1054=2...(19) HB2 LYS 13 - HD3 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1044=2...(19) HB3 LYS 39 - HD3 LYS 13 OK 31 99 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 39 - HD2 LYS 13 OK 31 99 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 73 - HD2 LYS 13 OK 30 96 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 73 - HD3 LYS 13 OK 30 96 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB2 LYS 85 - HD2 LYS 13 OK 23 95 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD3 LYS 13 OK 23 95 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD2 LYS 75 OK 21 94 - 23 - 3069/4.7=1, ~3447=1 HB2 LYS 85 - HD3 LYS 75 OK 21 94 - 23 - 3069/4.7=1, ~3447=1 HB2 ARG 69 - HD3 LYS 75 OK 15 94 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB2 ARG 69 - HD2 LYS 75 OK 15 94 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB ILE 33 - HD2 LYS 13 OK 11 81 - 14 - 1021/2.9=2, 3.2/4222=2...(5) HB ILE 33 - HD3 LYS 13 OK 11 81 - 14 - 1021/2.9=2, 3.2/4222=2...(5) HB2 LEU 57 - HD2 LYS 13 OK 11 76 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LEU 57 - HD3 LYS 13 OK 11 76 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LYS 32 - HD3 LYS 75 poor 10 90 - 11 - HB3 LYS 32 - HD2 LYS 75 poor 10 90 - 11 - HB3 LYS 32 - HD3 LYS 75 poor 10 90 - 11 - HB2 LYS 32 - HD2 LYS 75 poor 10 90 - 11 - HB2 LYS 32 - HD3 LYS 13 lone 9 90 - 10 - HB2 LYS 32 - HD2 LYS 13 lone 9 90 - 10 - HB3 LYS 32 - HD2 LYS 13 lone 9 90 - 10 - HB3 LYS 32 - HD3 LYS 13 lone 9 90 - 10 - HB2 ARG 69 - HD2 LYS 13 lone 9 95 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 ARG 69 - HD3 LYS 13 lone 9 95 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 LYS 83 - HD3 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 13 lone 6 99 - 6 - HB2 LYS 83 - HD3 LYS 13 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 75 lone 5 76 - 7 - 3.1/4985=1 HB2 LEU 57 - HD3 LYS 75 lone 5 76 - 7 - 3.1/4985=1 HB3 ARG 84 - HD3 LYS 75 lone 3 94 - 3 - HB3 ARG 84 - HD2 LYS 75 lone 3 94 - 3 - HB2 PRO 34 - HD3 LYS 13 lone 3 97 - 3 - HB2 PRO 34 - HD2 LYS 13 lone 3 97 - 3 - HB3 ARG 84 - HD2 LYS 13 lone 3 95 - 3 - HB3 ARG 84 - HD3 LYS 13 lone 3 95 - 3 - HB2 PRO 34 - HD2 LYS 75 lone 2 97 - 3 - HB2 PRO 34 - HD3 LYS 75 lone 2 97 - 3 - HB ILE 33 - HD3 LYS 75 lone 2 81 - 3 - HB ILE 33 - HD2 LYS 75 lone 2 81 - 3 - HB3 ARG 82 - HD3 LYS 13 lone 2 73 - 3 - HB3 ARG 82 - HD2 LYS 13 lone 2 73 - 3 - HB2 ARG 54 - HD3 LYS 75 lone 2 73 - 3 - HB2 ARG 54 - HD2 LYS 75 lone 2 73 - 3 - HB3 ARG 82 - HD3 LYS 75 lone 1 73 - 2 - HB3 ARG 82 - HD2 LYS 75 lone 1 73 - 2 - HB2 ARG 54 - HD2 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HD3 LYS 13 lone 1 73 - 2 - Peak 1052 from cnoeabs.peaks (1.68, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 90 90 - 100 HD2 LYS 13 + HD2 LYS 13 OK 90 90 - 100 HD3 LYS 75 + HD3 LYS 75 OK 89 89 - 100 HD2 LYS 75 + HD2 LYS 75 OK 89 89 - 100 Reference assignment not found: HB3 LYS 13 - HD3 LYS 13 Peak 1053 from cnoeabs.peaks (1.42, 1.67, 28.78 ppm; 2.82 A): 2 out of 28 assignments used, quality = 0.99: * HG2 LYS 13 + HD3 LYS 13 OK 92 100 - 92 - 2.9=88, 1.8/1036=6...(9) HG2 LYS 13 + HD2 LYS 13 OK 92 100 - 92 - 2.9=88, 1.8/1035=6...(9) HG2 LYS 13 - HD3 LYS 75 OK 27 100 - 27 - 1025=3, 1026/1.8=2...(6) HG2 LYS 13 - HD2 LYS 75 OK 27 100 - 27 - 1026=3, 1026/1.8=2...(6) HB3 LEU 43 - HD2 LYS 13 OK 25 93 - 27 - 1013/3.5=3, 1033/2.9=3...(11) HB3 LEU 43 - HD3 LYS 13 OK 25 93 - 27 - 1013/3.5=3, 1033/2.9=3...(11) HG3 LYS 39 - HD2 LYS 75 OK 23 85 - 28 - 1874/3.5=2, ~1867=2...(7) HG3 LYS 39 - HD3 LYS 75 OK 23 85 - 28 - 1874/3.5=2, ~1867=2...(7) HG3 LYS 39 - HD2 LYS 13 OK 16 85 - 18 - 1013/3.5=1 HG3 LYS 39 - HD3 LYS 13 OK 16 85 - 18 - 1013/3.5=1 HG13 ILE 89 - HD3 LYS 13 OK 11 90 - 12 - 1033/2.9=1, ~5274=1, 1013/3.5=1 HG13 ILE 89 - HD2 LYS 13 OK 11 90 - 12 - 1033/2.9=1, ~5274=1, 1013/3.5=1 HG12 ILE 33 - HD2 LYS 13 lone 7 81 - 9 - 2.1/4222=1 HG12 ILE 33 - HD3 LYS 13 lone 7 81 - 9 - 2.1/4222=1 QB ALA 30 - HD3 LYS 13 lone 5 78 - 7 - 2.9/83=1 QB ALA 30 - HD2 LYS 13 lone 5 78 - 7 - 2.9/83=1 HB3 ARG 69 - HD3 LYS 75 lone 5 60 - 9 - HB3 ARG 69 - HD2 LYS 75 lone 5 60 - 9 - HG13 ILE 89 - HD3 LYS 75 lone 4 90 - 4 - HG13 ILE 89 - HD2 LYS 75 lone 4 90 - 4 - HB3 ARG 69 - HD3 LYS 13 lone 3 60 - 5 - HB3 ARG 69 - HD2 LYS 13 lone 3 60 - 5 - HB3 LEU 43 - HD2 LYS 75 lone 2 93 - 2 - HB3 LEU 43 - HD3 LYS 75 lone 2 93 - 2 - QB ALA 30 - HD3 LYS 75 lone 2 78 - 3 - QB ALA 30 - HD2 LYS 75 lone 2 78 - 3 - HG12 ILE 33 - HD2 LYS 75 lone 1 81 - 2 - HG12 ILE 33 - HD3 LYS 75 lone 1 81 - 2 - Peak 1054 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 2.77 A): 2 out of 36 assignments used, quality = 0.99: * HG3 LYS 13 + HD3 LYS 13 OK 89 100 - 89 - 2.9=84, 1036/1.8=6...(10) HG3 LYS 13 + HD2 LYS 13 OK 89 100 - 89 - 2.9=84, 1035/1.8=6...(10) HG3 LYS 13 - HD3 LYS 75 OK 26 100 - 26 - 1.8/1025=2, 1035=2...(8) HG3 LYS 13 - HD2 LYS 75 OK 26 100 - 26 - 1.8/1025=2, 1036=2...(8) HB3 LEU 43 - HD2 LYS 13 OK 21 85 - 25 - 1024/2.9=3, 2017/5.4=2...(8) HB3 LEU 43 - HD3 LYS 13 OK 21 85 - 25 - 1024/2.9=3, 2017/5.4=2...(8) HG2 LYS 73 - HD2 LYS 75 OK 21 78 - 27 - 1036=2, 1036/1.8=1...(4) HG2 LYS 73 - HD3 LYS 75 OK 21 78 - 27 - 1035=2, 1036/1.8=1...(4) HG2 LYS 73 - HD2 LYS 13 OK 16 78 - 20 - 1036=1, 1024/2.9=1, 1036/1.8=1 HG2 LYS 73 - HD3 LYS 13 OK 16 78 - 20 - 1036=1, 1024/2.9=1, 1036/1.8=1 HG3 LYS 85 - HD3 LYS 13 OK 16 100 - 16 - 1024/2.9=2, 1036=1, 1014/3.5=1 HG3 LYS 85 - HD2 LYS 13 OK 16 100 - 16 - 1024/2.9=2, 1036=1, 1014/3.5=1 HG3 LYS 85 - HD3 LYS 75 OK 14 100 - 14 - 1036=1 HG3 LYS 85 - HD2 LYS 75 OK 14 100 - 14 - 1035=1 HG13 ILE 89 - HD2 LYS 13 OK 10 89 - 12 - 1024/2.9=2, ~5274=1 HG13 ILE 89 - HD3 LYS 13 OK 10 89 - 12 - 1024/2.9=2, ~5274=1 HG12 ILE 33 - HD3 LYS 13 lone 9 96 - 9 - 1024/2.9=1, 2.1/4222=1 HG12 ILE 33 - HD2 LYS 13 lone 9 96 - 9 - 1024/2.9=1, 2.1/4222=1 HB3 LEU 57 - HD2 LYS 13 lone 8 96 - 9 - 3.1/4985=1 HB3 LEU 57 - HD3 LYS 13 lone 8 96 - 9 - 3.1/4985=1 QB ALA 30 - HD3 LYS 13 lone 7 97 - 7 - 2.9/83=1 QB ALA 30 - HD2 LYS 13 lone 7 97 - 7 - 2.9/83=1 HB3 LEU 57 - HD3 LYS 75 lone 4 96 - 4 - HB3 LEU 57 - HD2 LYS 75 lone 4 96 - 4 - HG13 ILE 89 - HD3 LYS 75 lone 4 89 - 5 - HG13 ILE 89 - HD2 LYS 75 lone 4 89 - 5 - QB ALA 30 - HD2 LYS 75 lone 3 97 - 3 - QB ALA 30 - HD3 LYS 75 lone 3 97 - 3 - HB3 LEU 52 - HD3 LYS 13 lone 3 89 - 3 - HB3 LEU 52 - HD2 LYS 13 lone 3 89 - 3 - HB3 LEU 43 - HD3 LYS 75 lone 2 85 - 2 - HB3 LEU 43 - HD2 LYS 75 lone 2 85 - 2 - HG12 ILE 33 - HD3 LYS 75 lone 2 96 - 2 - HG12 ILE 33 - HD2 LYS 75 lone 2 96 - 2 - HB3 LEU 52 - HD3 LYS 75 lone 1 89 - 1 - HB3 LEU 52 - HD2 LYS 75 lone 1 89 - 1 - Peak 1055 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 1056 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 Peak 1057 from cnoeabs.peaks (2.97, 1.67, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: * HE2 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1043=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1043=3...(17) HE3 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 85 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 85 99 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 39 - HD2 LYS 75 OK 10 97 - 11 - HE2 LYS 39 - HD3 LYS 75 OK 10 97 - 11 - HE3 LYS 39 - HD3 LYS 75 OK 10 96 - 11 - HE3 LYS 39 - HD2 LYS 75 OK 10 96 - 11 - HE2 LYS 73 - HD2 LYS 75 poor 10 93 - 11 - HE2 LYS 73 - HD3 LYS 75 poor 10 93 - 11 - HE3 LYS 73 - HD3 LYS 75 poor 10 92 - 11 - HE3 LYS 73 - HD2 LYS 75 poor 10 92 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 7 93 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 7 93 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 7 92 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 7 92 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 7 97 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 7 97 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 7 96 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 7 96 - 7 - HE3 LYS 32 - HD2 LYS 75 lone 5 94 - 5 - HE3 LYS 32 - HD3 LYS 75 lone 5 94 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 93 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 93 - 5 - HE3 LYS 32 - HD3 LYS 13 lone 4 95 - 4 - HE3 LYS 32 - HD2 LYS 13 lone 4 95 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 93 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 93 - 4 - HB3 TYR 81 - HD2 LYS 75 lone 1 96 - 1 - HB3 TYR 81 - HD3 LYS 75 lone 1 96 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 63 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 63 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 96 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 96 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 63 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 63 - 1 - Peak 1058 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD2 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) * HE3 LYS 13 + HD3 LYS 13 OK 88 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 86 99 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 75 - HD2 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 99 - 22 - 1028/2.9=2 HE2 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE2 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1025=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 39 - HD2 LYS 75 OK 10 97 - 11 - HE2 LYS 39 - HD3 LYS 75 OK 10 97 - 11 - HE2 LYS 73 - HD3 LYS 75 OK 10 94 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 10 94 - 11 - HE3 LYS 39 - HD2 LYS 75 OK 10 94 - 11 - HE3 LYS 39 - HD3 LYS 75 OK 10 94 - 11 - HE3 LYS 73 - HD2 LYS 75 poor 10 93 - 11 - HE3 LYS 73 - HD3 LYS 75 poor 10 93 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 95 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 95 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 93 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 93 - 8 - HE2 LYS 39 - HD3 LYS 13 lone 7 97 - 7 - HE2 LYS 39 - HD2 LYS 13 lone 7 97 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 7 95 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 7 95 - 7 - HE3 LYS 32 - HD2 LYS 75 lone 5 96 - 5 - HE3 LYS 32 - HD3 LYS 75 lone 5 96 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 94 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 94 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 96 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 96 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 95 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 95 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 94 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 94 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 65 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 65 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 95 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 95 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 65 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 65 - 1 - Peak 1061 from cnoeabs.peaks (1.79, 2.97, 41.89 ppm; 3.48 A): 12 out of 150 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 62 92 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 60 90 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 75 + HE2 LYS 75 OK 59 97 - 61 - 5.0=34, 3092/2.9=3...(30) HB3 LYS 75 + HE3 LYS 75 OK 59 97 - 61 - 5.0=34, 3092/2.9=3...(30) * HB2 LYS 13 + HE2 LYS 13 OK 58 100 - 58 - 5.2=30, 3.0/1063=3...(25) HB2 LYS 13 + HE3 LYS 13 OK 58 100 - 58 - 5.2=30, 3.0/1063=3...(25) HB2 LYS 32 + HE3 LYS 32 OK 55 78 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 32 + HE3 LYS 32 OK 55 78 - 70 - 4.6=44, 2.9/1638=5...(19) HB2 LYS 32 + HE2 LYS 32 OK 54 76 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 32 + HE2 LYS 32 OK 54 76 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 73 + HE2 LYS 73 OK 47 82 - 58 - 4.7=41, 2.9/3032=2...(14) HB3 LYS 73 + HE3 LYS 73 OK 47 81 - 58 - 4.7=41, 2.9/3032=2...(14) HB3 LYS 39 - HE2 LYS 75 OK 40 95 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE3 LYS 75 OK 40 95 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 75 - HE2 LYS 13 OK 32 100 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE3 LYS 13 OK 32 100 - 33 - 1021/3.8=3, ~3073=1...(12) HB2 LYS 13 - HE2 LYS 75 OK 32 97 - 33 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE3 LYS 75 OK 32 97 - 33 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 73 - HE2 LYS 75 OK 30 91 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 73 - HE3 LYS 75 OK 30 90 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 32 - HE2 LYS 73 OK 29 76 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB2 LYS 32 - HE2 LYS 73 OK 29 76 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB3 LYS 75 - HE2 LYS 39 OK 28 94 - 30 - 1865/3.6=3, 1875/3.6=3...(8) HB2 LYS 32 - HE3 LYS 73 OK 28 75 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB3 LYS 32 - HE3 LYS 73 OK 28 75 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB3 LYS 75 - HE3 LYS 39 OK 28 92 - 30 - 1865/3.6=3, 1875/3.6=3...(8) HB3 LYS 39 - HE3 LYS 13 OK 27 99 - 27 - 1021/3.8=2, 2.9/1880=2...(7) HB3 LYS 39 - HE2 LYS 13 OK 27 99 - 27 - 1021/3.8=2, 2.9/1880=2...(7) HB3 LYS 73 - HE2 LYS 13 OK 21 96 - 22 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 73 OK 21 90 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 73 - HE3 LYS 13 OK 21 96 - 22 - 1021/3.8=2 HB3 LYS 75 - HE3 LYS 73 OK 21 88 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 73 - HE3 LYS 32 OK 21 84 - 25 - 2.9/6146=1, 1597/3.9=1 HB3 LYS 73 - HE2 LYS 32 OK 20 82 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 39 - HE2 LYS 73 OK 20 87 - 22 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE3 LYS 73 OK 19 86 - 23 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 85 - HE2 LYS 75 OK 17 89 - 19 - HB2 LYS 85 - HE3 LYS 75 OK 17 89 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 16 89 - 18 - HB3 LYS 39 - HE2 LYS 32 OK 16 87 - 18 - HB2 LYS 85 - HE2 LYS 13 OK 14 95 - 15 - 1021/3.8=2, 1011/5.2=1 HB2 LYS 85 - HE3 LYS 13 OK 14 94 - 15 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE2 LYS 39 OK 14 87 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE3 LYS 39 OK 13 85 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 13 82 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 13 82 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 79 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 79 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 75 OK 12 85 - 14 - HB2 LYS 32 - HE2 LYS 75 OK 12 85 - 14 - HB2 LYS 32 - HE3 LYS 75 OK 12 84 - 14 - HB3 LYS 32 - HE3 LYS 75 OK 12 84 - 14 - HB2 LYS 13 - HE2 LYS 39 OK 12 95 - 12 - 1875/3.6=1, 1865/3.6=1 HB3 LYS 75 - HE3 LYS 32 OK 12 91 - 13 - HB2 LYS 13 - HE3 LYS 39 OK 12 93 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 69 - HE2 LYS 75 OK 12 89 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE3 LYS 75 OK 11 89 - 13 - 2795/3.5=2, 2795/3.5=2 HB3 LYS 75 - HE2 LYS 32 OK 11 90 - 13 - HB2 ARG 54 - HE2 LYS 39 OK 11 65 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 PRO 34 - HE3 LYS 32 OK 11 86 - 13 - ~4863=1, ~5567=1...(4) HB2 PRO 34 - HE2 LYS 32 OK 11 85 - 13 - ~4863=1, ~5567=1...(4) HB2 ARG 54 - HE3 LYS 39 OK 11 63 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - HB2 LYS 13 - HE3 LYS 73 OK 10 88 - 12 - HB2 LYS 85 - HE2 LYS 73 OK 10 81 - 13 - HB2 LYS 85 - HE3 LYS 73 poor 10 79 - 13 - HB2 PRO 34 - HE2 LYS 39 poor 9 90 - 10 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 PRO 34 - HE3 LYS 39 poor 9 87 - 10 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB3 LYS 32 - HE2 LYS 13 lone 9 90 - 9 - HB2 LYS 32 - HE2 LYS 13 lone 9 90 - 9 - HB3 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB2 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB2 ARG 54 - HE3 LYS 32 poor 8 61 - 12 - 1597/3.9=1, 1586/3.9=1 HB2 ARG 54 - HE2 LYS 32 poor 7 60 - 12 - 1597/3.9=1, 1586/3.9=1 HB2 LYS 13 - HE3 LYS 32 lone 6 91 - 6 - HB2 LYS 13 - HE2 LYS 32 lone 6 90 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 95 - 6 - HB2 LEU 57 - HE3 LYS 13 lone 6 76 - 7 - HB2 LEU 57 - HE2 LYS 13 lone 6 76 - 7 - HB3 ARG 84 - HE2 LYS 73 lone 6 81 - 7 - HB2 LYS 83 - HE3 LYS 75 lone 6 94 - 6 - HB2 LEU 57 - HE2 LYS 73 lone 6 62 - 9 - 3.8/5745=1, 3.1/4604=1 HB3 ARG 84 - HE3 LYS 73 lone 6 79 - 7 - HB2 ARG 69 - HE2 LYS 73 lone 6 81 - 7 - 2797/3.7=2 HB2 LEU 57 - HE3 LYS 73 lone 6 61 - 9 - 3.8/5745=1, 3.1/4604=1 HB ILE 33 - HE2 LYS 13 lone 5 81 - 7 - 1021/3.8=1, 1655/3.8=1 HB ILE 33 - HE3 LYS 13 lone 5 81 - 7 - 1021/3.8=1, 1655/3.8=1 HB2 ARG 69 - HE3 LYS 73 lone 5 79 - 7 - 2797/3.7=2 HB2 ARG 69 - HE2 LYS 13 lone 5 95 - 6 - 1021/3.8=1 HB2 ARG 69 - HE3 LYS 13 lone 5 94 - 6 - 1021/3.8=1 HB2 LEU 57 - HE3 LYS 32 lone 5 64 - 8 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 5 62 - 8 - 3.1/4604=1 HB2 LYS 85 - HE2 LYS 39 lone 5 86 - 5 - HB2 LYS 85 - HE3 LYS 39 lone 5 84 - 5 - HB2 ARG 69 - HE2 LYS 39 lone 4 86 - 5 - HB2 ARG 69 - HE3 LYS 39 lone 4 84 - 5 - HB ILE 33 - HE3 LYS 32 lone 4 68 - 6 - 4219/3.9=2, 1586/3.9=1 HB ILE 33 - HE2 LYS 32 lone 4 67 - 6 - 4219/3.9=2, 1586/3.9=1 HB2 PRO 34 - HE2 LYS 73 lone 4 85 - 5 - HB2 PRO 34 - HE3 LYS 73 lone 4 83 - 5 - HB2 LEU 57 - HE2 LYS 39 lone 4 67 - 6 - HB2 LEU 57 - HE2 LYS 75 lone 4 70 - 6 - HB2 LEU 57 - HE3 LYS 75 lone 4 70 - 6 - HB2 LEU 57 - HE3 LYS 39 lone 4 65 - 6 - HB2 LYS 83 - HE2 LYS 13 lone 4 99 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 4 99 - 3 - HB2 LYS 85 - HE3 LYS 32 lone 3 82 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 3 81 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 92 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 3 82 - 4 - HB2 LYS 83 - HE3 LYS 39 lone 3 89 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 3 81 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 3 87 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 3 85 - 4 - HB3 ARG 84 - HE3 LYS 32 lone 3 82 - 4 - HB3 ARG 84 - HE2 LYS 39 lone 3 86 - 3 - HB3 ARG 84 - HE2 LYS 32 lone 3 81 - 4 - HB2 PRO 34 - HE2 LYS 75 lone 3 93 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 92 - 3 - HB3 ARG 84 - HE3 LYS 39 lone 3 84 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 3 97 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 97 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 65 - 4 - HB ILE 33 - HE2 LYS 39 lone 2 72 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 2 68 - 3 - HB3 ARG 82 - HE3 LYS 39 lone 2 63 - 4 - HB2 ARG 54 - HE3 LYS 75 lone 2 67 - 3 - HB2 ARG 54 - HE2 LYS 73 lone 2 60 - 4 - HB ILE 33 - HE3 LYS 39 lone 2 69 - 3 - HB2 ARG 54 - HE3 LYS 73 lone 2 59 - 4 - HB3 ARG 84 - HE2 LYS 75 lone 2 89 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 2 89 - 2 - HB3 ARG 82 - HE2 LYS 73 lone 2 60 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 59 - 3 - HB3 ARG 84 - HE2 LYS 13 lone 2 95 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 2 94 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 75 - 2 - HB ILE 33 - HE3 LYS 75 lone 2 74 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 1 88 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 1 87 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE3 LYS 32 lone 1 61 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 1 60 - 2 - HB ILE 33 - HE2 LYS 73 lone 1 67 - 2 - HB ILE 33 - HE3 LYS 73 lone 1 65 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 68 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 67 - 2 - Peak 1062 from cnoeabs.peaks (1.68, 2.97, 41.89 ppm; 2.71 A): 8 out of 120 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1047=3...(15) HD2 LYS 13 + HE2 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD2 LYS 13 + HE3 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD3 LYS 13 + HE3 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD2 LYS 75 + HE2 LYS 75 OK 69 83 - 83 - 2.9=78, 1.8/1048=3...(11) HD3 LYS 75 + HE2 LYS 75 OK 69 83 - 83 - 2.9=78, 1.8/1048=3...(11) HD3 LYS 75 + HE3 LYS 75 OK 69 82 - 83 - 2.9=78, 1.8/1048=3...(11) HD2 LYS 75 + HE3 LYS 75 OK 69 82 - 83 - 2.9=78, 1.8/1048=3...(11) ! HB3 LYS 13 - HE2 LYS 13 OK 38 100 - 38 - 5.2=14, 3.0/1063=2...(8) HB3 LYS 13 - HE3 LYS 13 OK 38 100 - 38 - 5.2=14, 3.0/1063=2...(8) HB3 LYS 13 - HE2 LYS 75 OK 20 97 - 21 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 20 97 - 21 - 3.0/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 85 - 21 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 18 85 - 21 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 17 84 - 21 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 17 84 - 21 - 2.9/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD2 LYS 75 - HE2 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD2 LYS 75 - HE3 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD3 LYS 75 - HE3 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD3 LYS 75 - HE2 LYS 39 poor 8 80 - 10 - HD2 LYS 75 - HE2 LYS 39 poor 8 80 - 10 - HD3 LYS 75 - HE3 LYS 39 poor 8 77 - 10 - HD2 LYS 75 - HE3 LYS 39 poor 8 77 - 10 - HD3 LYS 75 - HE2 LYS 73 poor 7 75 - 10 - HD2 LYS 75 - HE2 LYS 73 poor 7 75 - 10 - HD2 LYS 75 - HE3 LYS 73 poor 7 73 - 10 - HD3 LYS 75 - HE3 LYS 73 poor 7 73 - 10 - HB3 LYS 13 - HE2 LYS 73 lone 7 90 - 8 - HB3 LYS 13 - HE3 LYS 73 lone 7 88 - 8 - HB3 LEU 64 - HE2 LYS 39 lone 7 82 - 8 - 2630/3.6=2 HB3 LYS 13 - HE2 LYS 39 lone 6 95 - 7 - HB3 LYS 13 - HE3 LYS 39 lone 6 93 - 7 - HB3 LEU 64 - HE3 LYS 39 lone 6 79 - 8 - 2630/3.6=2 HD2 LYS 13 - HE2 LYS 73 lone 6 76 - 8 - HD3 LYS 13 - HE2 LYS 73 lone 6 76 - 8 - HD2 LYS 13 - HE3 LYS 73 lone 6 75 - 8 - HD3 LYS 13 - HE3 LYS 73 lone 6 75 - 8 - HD2 LYS 13 - HE2 LYS 39 lone 5 82 - 7 - HD3 LYS 13 - HE2 LYS 39 lone 5 82 - 7 - HD3 LYS 13 - HE3 LYS 39 lone 5 79 - 7 - HD2 LYS 13 - HE3 LYS 39 lone 5 79 - 7 - HD2 LYS 75 - HE3 LYS 32 lone 4 76 - 5 - HD3 LYS 75 - HE3 LYS 32 lone 4 76 - 5 - HD2 LYS 75 - HE2 LYS 32 lone 4 75 - 5 - HD3 LYS 75 - HE2 LYS 32 lone 4 75 - 5 - HB3 LYS 13 - HE3 LYS 32 lone 4 91 - 4 - HB3 LYS 13 - HE2 LYS 32 lone 4 90 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 78 - 4 - HD2 LYS 13 - HE3 LYS 32 lone 3 78 - 4 - HD2 LYS 13 - HE2 LYS 32 lone 3 76 - 4 - HD3 LYS 13 - HE2 LYS 32 lone 3 76 - 4 - HG2 ARG 23 - HE2 LYS 39 lone 3 89 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 3 86 - 3 - HG LEU 29 - HE2 LYS 39 lone 3 92 - 3 - HG LEU 29 - HE2 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE3 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE3 LYS 39 lone 3 90 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 2 78 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 2 78 - 3 - HG LEU 29 - HE2 LYS 75 lone 2 95 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 95 - 2 - HB3 GLN 61 - HE2 LYS 75 lone 2 73 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 2 72 - 3 - HB2 ARG 82 - HE2 LYS 39 lone 2 86 - 2 - HB3 LEU 64 - HE2 LYS 13 lone 2 90 - 2 - HB3 LEU 64 - HE3 LYS 13 lone 2 90 - 2 - HB2 ARG 82 - HE3 LYS 39 lone 2 84 - 2 - HB2 ARG 82 - HE2 LYS 73 lone 2 81 - 2 - HB2 ARG 82 - HE3 LYS 73 lone 2 79 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 92 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 91 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 87 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 86 - 2 - HB3 LEU 64 - HE2 LYS 75 lone 1 85 - 2 - HB3 LEU 64 - HE3 LYS 75 lone 1 84 - 2 - HG3 ARG 66 - HE3 LYS 32 lone 1 81 - 2 - HG3 ARG 66 - HE2 LYS 32 lone 1 80 - 2 - HG2 ARG 70 - HE3 LYS 32 lone 1 54 - 2 - HG2 ARG 70 - HE2 LYS 32 lone 1 53 - 2 - HB2 ARG 82 - HE3 LYS 32 lone 1 82 - 2 - HB2 ARG 82 - HE2 LYS 32 lone 1 81 - 2 - HG LEU 29 - HE3 LYS 32 lone 1 89 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 87 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 97 - 1 - HB3 LEU 64 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 64 - HE2 LYS 32 lone 1 76 - 1 - HB2 ARG 82 - HE2 LYS 13 lone 1 95 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 1 94 - 1 - HG2 ARG 70 - HE2 LYS 73 lone 1 53 - 1 - HG2 ARG 70 - HE3 LYS 73 lone 1 52 - 1 - HB2 ARG 82 - HE2 LYS 75 lone 1 89 - 1 - HB3 LEU 64 - HE2 LYS 73 lone 1 76 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 1 89 - 1 - HB3 LEU 64 - HE3 LYS 73 lone 1 75 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 84 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 82 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 66 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 65 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 85 - 1 - HG3 ARG 66 - HE2 LYS 13 lone 0 93 - 1 - HG3 ARG 66 - HE3 LYS 13 lone 0 93 - 1 - HG2 ARG 23 - HE2 LYS 32 lone 0 84 - 1 - HG3 ARG 66 - HE2 LYS 39 lone 0 85 - 1 - HG3 ARG 66 - HE3 LYS 39 lone 0 82 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 0 65 - 1 - HG3 ARG 66 - HE2 LYS 73 lone 0 80 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 0 63 - 1 - HG3 ARG 66 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 66 - HE2 LYS 75 lone 0 88 - 0 - HG3 ARG 66 - HE3 LYS 75 lone 0 87 - 0 - HG2 ARG 70 - HE2 LYS 75 lone 0 60 - 1 - HG2 ARG 70 - HE3 LYS 75 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 69 - 0 - HG2 ARG 70 - HE2 LYS 13 lone 0 65 - 0 - HG2 ARG 70 - HE3 LYS 13 lone 0 65 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 67 - 0 - HG2 ARG 70 - HE2 LYS 39 lone 0 57 - 0 - HG2 ARG 70 - HE3 LYS 39 lone 0 55 - 0 - Peak 1063 from cnoeabs.peaks (1.42, 2.97, 41.89 ppm; 3.22 A): 4 out of 70 assignments used, quality = 0.99: * HG2 LYS 13 + HE2 LYS 13 OK 78 100 - 78 - 3.8=60, 1043/2.9=6...(28) HG2 LYS 13 + HE3 LYS 13 OK 78 100 - 78 - 3.8=60, 1043/2.9=6...(28) HG3 LYS 39 + HE2 LYS 39 OK 65 76 - 85 - 3.6=72, 1879/3.0=7...(14) HG3 LYS 39 + HE3 LYS 39 OK 63 74 - 85 - 3.6=72, 1879/3.0=7...(14) HG2 LYS 13 - HE2 LYS 75 OK 32 97 - 33 - 1028=3, 1028/1.8=3...(6) HG2 LYS 13 - HE3 LYS 75 OK 31 97 - 33 - 1028=3, 1028/1.8=3...(6) HG3 LYS 39 - HE2 LYS 75 OK 30 79 - 39 - 1.8/1870=2, 1880=2...(13) HG3 LYS 39 - HE3 LYS 75 OK 30 79 - 39 - 1.8/1870=2, 1880=2...(13) HG3 LYS 39 - HE2 LYS 13 OK 21 85 - 24 - 1.8/1870=2, 1880=1...(7) HG3 LYS 39 - HE3 LYS 13 OK 21 85 - 24 - 1.8/1870=2, 1880=1...(7) HB3 LEU 43 - HE2 LYS 13 OK 20 93 - 21 - 1033/3.8=3, 1013/5.2=2...(8) HB3 LEU 43 - HE3 LYS 13 OK 20 93 - 21 - 1033/3.8=3, 1013/5.2=2...(8) HG3 LYS 39 - HE2 LYS 73 OK 14 71 - 20 - 1.8/1870=1 HG3 LYS 39 - HE3 LYS 73 OK 14 69 - 20 - 1.8/1870=1 HG3 LYS 39 - HE3 LYS 32 OK 12 72 - 17 - HG3 LYS 39 - HE2 LYS 32 OK 12 71 - 17 - HG2 LYS 13 - HE2 LYS 39 OK 11 95 - 12 - 1021/4.7=1, 1027=1...(4) HG2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - 1024/3.7=1, 1021/4.7=1...(4) HG2 LYS 13 - HE3 LYS 39 OK 11 93 - 12 - 1021/4.7=1, 1027=1...(4) HG2 LYS 13 - HE3 LYS 73 OK 11 88 - 12 - 1024/3.7=1, 1021/4.7=1...(4) HB3 LEU 43 - HE2 LYS 39 poor 9 85 - 11 - 3.1/4909=2, ~4909=2 HB3 LEU 43 - HE3 LYS 39 poor 9 82 - 11 - 3.1/4909=2, ~4909=2 HG13 ILE 89 - HE2 LYS 13 lone 7 90 - 8 - 1033/3.8=1 HG13 ILE 89 - HE3 LYS 13 lone 7 90 - 8 - 1033/3.8=1 HG2 LYS 13 - HE3 LYS 32 lone 6 91 - 6 - HG2 LYS 13 - HE2 LYS 32 lone 6 90 - 6 - HG13 ILE 89 - HE2 LYS 73 lone 6 76 - 8 - 3627/4.7=2 HG13 ILE 89 - HE3 LYS 73 lone 6 75 - 8 - 3627/4.7=2 HB3 ARG 69 - HE2 LYS 75 lone 5 55 - 10 - ~2795=1 HB3 ARG 69 - HE3 LYS 75 lone 5 55 - 10 - ~2795=1 HG12 ILE 33 - HE3 LYS 13 lone 4 81 - 5 - HG12 ILE 33 - HE2 LYS 13 lone 4 81 - 5 - HG13 ILE 89 - HE2 LYS 75 lone 4 85 - 5 - HG13 ILE 89 - HE3 LYS 75 lone 4 84 - 5 - QB ALA 30 - HE2 LYS 13 lone 3 78 - 4 - QB ALA 30 - HE3 LYS 13 lone 3 78 - 4 - HG12 ILE 33 - HE3 LYS 32 lone 3 68 - 4 - HG12 ILE 33 - HE2 LYS 32 lone 3 67 - 4 - HB3 LEU 43 - HE2 LYS 75 lone 2 88 - 3 - HB3 LEU 43 - HE3 LYS 75 lone 2 87 - 3 - HB3 ARG 69 - HE2 LYS 73 lone 2 48 - 5 - HB3 ARG 69 - HE3 LYS 73 lone 2 47 - 5 - HB3 ARG 69 - HE2 LYS 13 lone 2 60 - 4 - HB3 ARG 69 - HE3 LYS 13 lone 2 60 - 4 - HG13 ILE 89 - HE2 LYS 39 lone 2 82 - 3 - HG13 ILE 89 - HE3 LYS 39 lone 2 79 - 3 - HB3 ARG 69 - HE2 LYS 39 lone 2 52 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 2 50 - 4 - QB ALA 30 - HE3 LYS 32 lone 2 66 - 2 - 5541/7.0=1 HB3 ARG 69 - HE3 LYS 32 lone 2 49 - 3 - QB ALA 30 - HE2 LYS 32 lone 2 65 - 2 - 5541/7.0=1 HB3 ARG 69 - HE2 LYS 32 lone 2 48 - 3 - HG13 ILE 89 - HE3 LYS 32 lone 1 78 - 2 - HG13 ILE 89 - HE2 LYS 32 lone 1 76 - 2 - HG12 ILE 33 - HE2 LYS 75 lone 1 75 - 2 - HG12 ILE 33 - HE3 LYS 75 lone 1 74 - 2 - HB3 LEU 43 - HE2 LYS 73 lone 1 80 - 1 - HB3 LEU 43 - HE3 LYS 73 lone 1 78 - 1 - HB3 LEU 43 - HE3 LYS 32 lone 1 81 - 1 - HB3 LEU 43 - HE2 LYS 32 lone 1 80 - 1 - QB ALA 30 - HE2 LYS 75 lone 1 73 - 1 - QB ALA 30 - HE3 LYS 75 lone 1 72 - 1 - HG12 ILE 33 - HE2 LYS 73 lone 1 67 - 2 - HG12 ILE 33 - HE3 LYS 73 lone 1 65 - 2 - QB ALA 30 - HE2 LYS 73 lone 1 65 - 1 - HG12 ILE 33 - HE2 LYS 39 lone 1 72 - 1 - QB ALA 30 - HE3 LYS 73 lone 1 63 - 1 - HG12 ILE 33 - HE3 LYS 39 lone 1 69 - 1 - QB ALA 30 - HE2 LYS 39 lone 1 69 - 1 - QB ALA 30 - HE3 LYS 39 lone 1 67 - 1 - Peak 1064 from cnoeabs.peaks (1.46, 2.97, 41.89 ppm; 3.32 A): 4 out of 90 assignments used, quality = 0.99: * HG3 LYS 13 + HE2 LYS 13 OK 81 100 - 81 - 3.8=66, 1036/2.9=5...(26) HG3 LYS 13 + HE3 LYS 13 OK 81 100 - 81 - 3.8=66, 1036/2.9=5...(26) HG2 LYS 73 + HE2 LYS 73 OK 52 65 - 80 - 3.7=72, 789/7.3=2...(11) HG2 LYS 73 + HE3 LYS 73 OK 51 63 - 80 - 3.7=72, 789/7.3=2...(11) HG3 LYS 13 - HE2 LYS 75 OK 34 97 - 36 - 1.8/1028=3, ~1028=2...(12) HG3 LYS 13 - HE3 LYS 75 OK 34 97 - 36 - 1.8/1028=3, ~1028=2...(12) HG2 LYS 73 - HE2 LYS 75 OK 26 73 - 36 - 1.8/6146=2, 1038=1...(8) HG2 LYS 73 - HE3 LYS 75 OK 26 72 - 36 - 1.8/6146=2, 1038=1...(8) HG2 LYS 73 - HE2 LYS 13 OK 18 78 - 23 - 1024/3.8=1 HB3 LEU 43 - HE2 LYS 13 OK 18 85 - 21 - 1024/3.8=3, 2017/6.5=2...(10) HB3 LEU 43 - HE3 LYS 13 OK 18 85 - 21 - 1024/3.8=3, 2017/6.5=2...(10) HG2 LYS 73 - HE3 LYS 13 OK 18 78 - 23 - 1024/3.8=1, 1.8/6146=1 HG3 LYS 85 - HE2 LYS 75 OK 18 97 - 18 - HG3 LYS 85 - HE3 LYS 75 OK 17 96 - 18 - 1.8/6146=1 HG2 LYS 73 - HE3 LYS 32 OK 16 66 - 24 - 2994/3.0=1, 2994/3.0=1 HG2 LYS 73 - HE2 LYS 32 OK 16 65 - 24 - 2994/3.0=1, 2994/3.0=1 HG3 LYS 85 - HE2 LYS 13 OK 15 100 - 15 - 1024/3.8=2, 1014/5.2=1 HG3 LYS 85 - HE3 LYS 13 OK 15 100 - 15 - 1024/3.8=2, 1014/5.2=1 HG3 LYS 85 - HE2 LYS 73 OK 12 89 - 14 - HG3 LYS 85 - HE3 LYS 73 OK 12 88 - 14 - HG3 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - 1.8/1028=1 HG3 LYS 13 - HE3 LYS 73 OK 11 88 - 12 - 1.8/1028=1 HG3 LYS 13 - HE2 LYS 39 OK 11 95 - 11 - 1.8/1027=1, 1033/3.6=1 HG3 LYS 13 - HE3 LYS 39 OK 10 93 - 11 - 1.8/1027=1, 1033/3.6=1 HG2 LYS 73 - HE2 LYS 39 poor 9 69 - 13 - HG2 LYS 73 - HE3 LYS 39 poor 9 67 - 13 - HB3 LEU 43 - HE2 LYS 39 poor 9 76 - 12 - 3.1/4909=3, ~4909=2 HB3 LEU 43 - HE3 LYS 39 poor 8 74 - 12 - 3.1/4909=3, ~4909=2 HG13 ILE 89 - HE2 LYS 13 lone 7 89 - 8 - 1024/3.8=2 HG13 ILE 89 - HE3 LYS 13 lone 7 89 - 8 - 1024/3.8=2 HB3 LEU 57 - HE2 LYS 73 lone 7 82 - 9 - HB3 LEU 57 - HE3 LYS 73 lone 7 81 - 9 - 3.8/5745=1 HB3 LEU 57 - HE3 LYS 32 lone 7 84 - 8 - 3.1/4604=1 HB3 LEU 57 - HE2 LYS 32 lone 7 82 - 8 - 3.1/4604=1 HB3 LEU 57 - HE3 LYS 13 lone 7 96 - 7 - HB3 LEU 57 - HE2 LYS 13 lone 7 96 - 7 - HG3 LYS 13 - HE3 LYS 32 lone 7 91 - 7 - HG3 LYS 13 - HE2 LYS 32 lone 6 90 - 7 - HG12 ILE 33 - HE2 LYS 13 lone 6 96 - 6 - 1024/3.8=1 HG12 ILE 33 - HE3 LYS 13 lone 6 96 - 6 - 1024/3.8=1 HG13 ILE 89 - HE2 LYS 73 lone 6 75 - 8 - 3627/4.7=2 HG13 ILE 89 - HE3 LYS 73 lone 6 73 - 8 - 3627/4.7=2 HG12 ILE 33 - HE3 LYS 32 lone 5 84 - 6 - 5543/6.4=2, 5541/7.0=1 HB3 LEU 57 - HE2 LYS 75 lone 5 91 - 5 - HG12 ILE 33 - HE2 LYS 32 lone 5 82 - 6 - 5543/6.4=2, 5541/7.0=1 HB3 LEU 57 - HE3 LYS 75 lone 5 90 - 5 - HB3 LEU 52 - HE3 LYS 32 lone 5 76 - 6 - 2267/3.9=1 HG13 ILE 89 - HE2 LYS 75 lone 5 83 - 5 - HB3 LEU 52 - HE2 LYS 32 lone 5 75 - 6 - 2267/3.9=1 HG13 ILE 89 - HE3 LYS 75 lone 5 82 - 5 - HB3 LEU 57 - HE2 LYS 39 lone 4 87 - 5 - QB ALA 30 - HE2 LYS 13 lone 4 97 - 4 - QB ALA 30 - HE3 LYS 13 lone 4 97 - 4 - HB3 LEU 57 - HE3 LYS 39 lone 4 85 - 5 - HG3 LYS 85 - HE3 LYS 32 lone 4 91 - 4 - HG3 LYS 85 - HE2 LYS 32 lone 4 89 - 4 - HG3 LYS 85 - HE2 LYS 39 lone 4 94 - 4 - HG3 LYS 85 - HE3 LYS 39 lone 4 92 - 4 - QB ALA 30 - HE3 LYS 32 lone 3 85 - 4 - 5541/7.0=2, 5543/6.4=1 QB ALA 30 - HE2 LYS 32 lone 3 84 - 4 - 5541/7.0=2, 5543/6.4=1 HB3 LEU 52 - HE2 LYS 73 lone 3 75 - 4 - HB3 LEU 52 - HE3 LYS 73 lone 3 73 - 4 - HB3 LEU 43 - HE2 LYS 75 lone 2 79 - 3 - HB3 LEU 43 - HE3 LYS 75 lone 2 79 - 3 - HB3 LEU 52 - HE3 LYS 13 lone 2 89 - 3 - HB3 LEU 52 - HE2 LYS 13 lone 2 89 - 3 - HG13 ILE 89 - HE2 LYS 39 lone 2 80 - 3 - HG13 ILE 89 - HE3 LYS 39 lone 2 77 - 3 - QB ALA 30 - HE2 LYS 75 lone 2 92 - 2 - QB ALA 30 - HE3 LYS 75 lone 2 91 - 2 - HG12 ILE 33 - HE2 LYS 75 lone 2 91 - 2 - HG12 ILE 33 - HE3 LYS 75 lone 2 90 - 2 - HG13 ILE 89 - HE3 LYS 32 lone 2 76 - 2 - HG13 ILE 89 - HE2 LYS 32 lone 2 75 - 2 - HG12 ILE 33 - HE2 LYS 73 lone 1 82 - 2 - HG12 ILE 33 - HE3 LYS 73 lone 1 81 - 2 - HB3 LEU 43 - HE3 LYS 32 lone 1 72 - 2 - HB3 LEU 52 - HE2 LYS 39 lone 1 80 - 2 - HB3 LEU 43 - HE2 LYS 32 lone 1 71 - 2 - HB3 LEU 52 - HE3 LYS 39 lone 1 77 - 2 - QB ALA 30 - HE2 LYS 73 lone 1 84 - 1 - HB3 LEU 43 - HE2 LYS 73 lone 1 71 - 2 - QB ALA 30 - HE3 LYS 73 lone 1 82 - 1 - HB3 LEU 43 - HE3 LYS 73 lone 1 69 - 2 - HG12 ILE 33 - HE2 LYS 39 lone 1 87 - 1 - HG12 ILE 33 - HE3 LYS 39 lone 1 85 - 1 - QB ALA 30 - HE2 LYS 39 lone 1 89 - 1 - HB3 LEU 52 - HE2 LYS 75 lone 1 83 - 1 - HB3 LEU 52 - HE3 LYS 75 lone 1 82 - 1 - QB ALA 30 - HE3 LYS 39 lone 1 86 - 1 - Peak 1065 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 8 out of 90 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) * HD2 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 75 + HE2 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HB3 LYS 13 - HE2 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HB3 LYS 13 - HE3 LYS 13 OK 30 90 - 34 - 5.2=12, 1035/3.8=2...(5) HD3 LYS 13 - HE2 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 85 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 84 - 19 - 3.0/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 100 - 10 - HD2 LYS 75 - HE3 LYS 13 poor 10 100 - 10 - HD3 LYS 75 - HE3 LYS 39 lone 8 92 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 92 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 95 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 95 - 9 - HD2 LYS 75 - HE2 LYS 73 lone 8 90 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 8 90 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 88 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 88 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 90 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 90 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 88 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 88 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 95 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 95 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 93 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 93 - 6 - HB3 LYS 13 - HE2 LYS 73 lone 5 76 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 5 75 - 7 - HB3 LYS 13 - HE2 LYS 39 lone 5 82 - 6 - HB3 LYS 13 - HE3 LYS 39 lone 5 79 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 91 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 91 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 90 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 90 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 91 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 91 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 90 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 90 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 99 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 78 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 3 93 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 96 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 76 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 95 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 3 91 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 91 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 88 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 94 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 93 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 96 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 96 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 86 - 2 - HG LEU 29 - HE3 LYS 73 lone 1 84 - 2 - HG2 ARG 23 - HE2 LYS 13 lone 1 100 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 100 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 89 - 1 - HB2 ARG 82 - HE2 LYS 39 lone 1 52 - 2 - HB3 GLN 61 - HE2 LYS 32 lone 1 88 - 1 - HB2 ARG 82 - HE3 LYS 39 lone 1 50 - 1 - HB2 ARG 82 - HE2 LYS 73 lone 1 48 - 1 - HB2 ARG 82 - HE3 LYS 73 lone 1 47 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 87 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 86 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 89 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 87 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 88 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 87 - 1 - HB2 ARG 82 - HE3 LYS 32 lone 1 49 - 1 - HB2 ARG 82 - HE2 LYS 32 lone 1 48 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 90 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 89 - 0 - HB2 ARG 82 - HE2 LYS 13 lone 0 60 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 93 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 91 - 0 - HB2 ARG 82 - HE2 LYS 75 lone 0 55 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 0 55 - 1 - Peak 1066 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.56 A): 8 out of 90 assignments used, quality = 1.00: * HD3 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 75 + HE2 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HB3 LYS 13 - HE2 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HB3 LYS 13 - HE3 LYS 13 OK 30 90 - 34 - 5.2=12, 1035/3.8=2...(5) HD3 LYS 13 - HE2 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 85 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 84 - 19 - 3.0/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 100 - 10 - HD2 LYS 75 - HE3 LYS 13 poor 10 100 - 10 - HD3 LYS 75 - HE3 LYS 39 lone 8 92 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 92 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 95 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 95 - 9 - HD2 LYS 75 - HE2 LYS 73 lone 8 90 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 8 90 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 88 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 88 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 90 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 90 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 88 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 88 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 95 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 95 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 93 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 93 - 6 - HB3 LYS 13 - HE2 LYS 73 lone 5 76 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 5 75 - 7 - HB3 LYS 13 - HE2 LYS 39 lone 5 82 - 6 - HB3 LYS 13 - HE3 LYS 39 lone 5 79 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 91 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 91 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 90 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 90 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 91 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 91 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 90 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 90 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 99 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 78 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 3 93 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 96 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 76 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 95 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 3 91 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 91 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 88 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 94 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 93 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 96 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 96 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 86 - 2 - HG LEU 29 - HE3 LYS 73 lone 1 84 - 2 - HG2 ARG 23 - HE2 LYS 13 lone 1 100 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 100 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 89 - 1 - HB2 ARG 82 - HE2 LYS 39 lone 1 52 - 2 - HB3 GLN 61 - HE2 LYS 32 lone 1 88 - 1 - HB2 ARG 82 - HE3 LYS 39 lone 1 50 - 1 - HB2 ARG 82 - HE2 LYS 73 lone 1 48 - 1 - HB2 ARG 82 - HE3 LYS 73 lone 1 47 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 87 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 86 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 89 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 87 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 88 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 87 - 1 - HB2 ARG 82 - HE3 LYS 32 lone 1 49 - 1 - HB2 ARG 82 - HE2 LYS 32 lone 1 48 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 90 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 89 - 0 - HB2 ARG 82 - HE2 LYS 13 lone 0 60 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 93 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 91 - 0 - HB2 ARG 82 - HE2 LYS 75 lone 0 55 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 0 55 - 1 - Peak 1067 from cnoeabs.peaks (2.97, 2.97, 41.89 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 75 + HE3 LYS 75 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 90 90 - 100 HE3 LYS 39 + HE3 LYS 39 OK 85 85 - 100 HE3 LYS 32 + HE3 LYS 32 OK 82 82 - 100 HE2 LYS 32 + HE2 LYS 32 OK 80 80 - 100 HE2 LYS 73 + HE2 LYS 73 OK 80 80 - 100 HE3 LYS 73 + HE3 LYS 73 OK 76 76 - 100 Peak 1068 from cnoeabs.peaks (2.96, 2.97, 41.89 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 75 + HE3 LYS 75 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 89 89 - 100 HE3 LYS 32 + HE3 LYS 32 OK 84 84 - 100 HE3 LYS 39 + HE3 LYS 39 OK 84 84 - 100 HE2 LYS 32 + HE2 LYS 32 OK 81 81 - 100 HE2 LYS 73 + HE2 LYS 73 OK 81 81 - 100 HE3 LYS 73 + HE3 LYS 73 OK 78 78 - 100 Reference assignment not found: HE3 LYS 13 - HE2 LYS 13 Peak 1071 from cnoeabs.peaks (1.79, 2.96, 41.89 ppm; 3.48 A): 12 out of 150 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 61 91 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 60 89 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 75 + HE2 LYS 75 OK 59 98 - 61 - 5.0=34, 3092/2.9=3...(30) HB3 LYS 75 + HE3 LYS 75 OK 59 97 - 61 - 5.0=34, 3092/2.9=3...(30) HB2 LYS 13 + HE2 LYS 13 OK 58 100 - 58 - 5.2=30, 3.0/1063=3...(25) * HB2 LYS 13 + HE3 LYS 13 OK 58 100 - 58 - 5.2=30, 3.0/1063=3...(25) HB2 LYS 32 + HE3 LYS 32 OK 56 79 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 32 + HE3 LYS 32 OK 56 79 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 32 + HE2 LYS 32 OK 55 78 - 70 - 4.6=44, 2.9/1638=5...(19) HB2 LYS 32 + HE2 LYS 32 OK 55 78 - 70 - 4.6=44, 2.9/1638=5...(19) HB3 LYS 73 + HE2 LYS 73 OK 48 84 - 58 - 4.7=41, 2.9/3032=2...(14) HB3 LYS 73 + HE3 LYS 73 OK 48 82 - 58 - 4.7=41, 2.9/3032=2...(14) HB3 LYS 39 - HE2 LYS 75 OK 40 96 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE3 LYS 75 OK 40 95 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 75 - HE2 LYS 13 OK 32 100 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE3 LYS 13 OK 32 100 - 33 - 1021/3.8=3, ~3073=1...(12) HB2 LYS 13 - HE2 LYS 75 OK 32 98 - 33 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE3 LYS 75 OK 32 97 - 33 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 73 - HE2 LYS 75 OK 31 91 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 73 - HE3 LYS 75 OK 31 91 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 32 - HE2 LYS 73 OK 29 78 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB2 LYS 32 - HE2 LYS 73 OK 29 78 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB3 LYS 32 - HE3 LYS 73 OK 29 76 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB2 LYS 32 - HE3 LYS 73 OK 29 76 - 38 - 2.9/1603=2, 2.9/1593=2...(16) HB3 LYS 75 - HE2 LYS 39 OK 28 93 - 30 - 1865/3.6=3, 1875/3.6=3...(8) HB3 LYS 75 - HE3 LYS 39 OK 27 91 - 30 - 1865/3.6=3, 1875/3.6=3...(8) HB3 LYS 39 - HE3 LYS 13 OK 26 99 - 27 - 1021/3.8=2, 2.9/1880=2...(7) HB3 LYS 39 - HE2 LYS 13 OK 26 99 - 27 - 1021/3.8=2, 2.9/1880=2...(7) HB3 LYS 75 - HE2 LYS 73 OK 22 91 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 75 - HE3 LYS 73 OK 21 90 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 73 - HE2 LYS 13 OK 21 96 - 22 - 1021/3.8=2 HB3 LYS 73 - HE3 LYS 13 OK 21 96 - 22 - 1021/3.8=2 HB3 LYS 73 - HE3 LYS 32 OK 21 85 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 73 - HE2 LYS 32 OK 21 84 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 39 - HE2 LYS 73 OK 20 89 - 22 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE3 LYS 73 OK 20 87 - 23 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 85 - HE2 LYS 75 OK 17 90 - 19 - HB2 LYS 85 - HE3 LYS 75 OK 17 89 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 16 90 - 18 - HB3 LYS 39 - HE2 LYS 32 OK 16 89 - 18 - HB2 LYS 85 - HE2 LYS 13 OK 14 94 - 15 - 1021/3.8=2, 1011/5.2=1 HB2 LYS 85 - HE3 LYS 13 OK 14 95 - 15 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE2 LYS 39 OK 13 86 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE3 LYS 39 OK 13 84 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 13 80 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 13 80 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 78 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 78 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 75 OK 12 86 - 14 - 2.9/1603=1 HB2 LYS 32 - HE2 LYS 75 OK 12 86 - 14 - 2.9/1603=1 HB3 LYS 32 - HE3 LYS 75 OK 12 85 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE3 LYS 75 OK 12 85 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 75 - HE3 LYS 32 OK 12 92 - 13 - HB2 ARG 69 - HE2 LYS 75 OK 12 90 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE2 LYS 39 OK 12 94 - 12 - 1875/3.6=1, 1865/3.6=1 HB3 LYS 75 - HE2 LYS 32 OK 12 91 - 13 - HB2 ARG 69 - HE3 LYS 75 OK 12 89 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE3 LYS 39 OK 11 91 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 PRO 34 - HE3 LYS 32 OK 11 87 - 13 - ~4863=1, ~5567=1...(4) HB2 PRO 34 - HE2 LYS 32 OK 11 86 - 13 - ~4863=1, ~5567=1...(4) HB2 ARG 54 - HE2 LYS 39 OK 11 64 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 13 - HE2 LYS 73 OK 11 91 - 12 - HB2 ARG 54 - HE3 LYS 39 OK 11 61 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - HB2 LYS 85 - HE2 LYS 73 OK 10 82 - 13 - HB2 LYS 85 - HE3 LYS 73 OK 10 81 - 13 - HB2 PRO 34 - HE2 LYS 39 poor 9 89 - 10 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 LYS 32 - HE2 LYS 13 lone 9 90 - 9 - HB3 LYS 32 - HE2 LYS 13 lone 9 90 - 9 - HB2 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB3 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB2 PRO 34 - HE3 LYS 39 poor 9 86 - 10 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 ARG 54 - HE3 LYS 32 poor 8 63 - 12 - 1597/3.9=1, 1586/3.9=1 HB2 ARG 54 - HE2 LYS 32 poor 8 61 - 12 - 1597/3.9=1, 1586/3.9=1 HB2 LYS 13 - HE3 LYS 32 lone 6 93 - 6 - HB2 LYS 13 - HE2 LYS 32 lone 6 91 - 6 - HB2 LEU 57 - HE2 LYS 73 lone 6 64 - 9 - 3.8/5745=1, 3.1/4604=1 HB3 ARG 84 - HE2 LYS 73 lone 6 82 - 7 - HB2 LYS 83 - HE2 LYS 75 lone 6 95 - 6 - HB2 LEU 57 - HE3 LYS 13 lone 6 76 - 7 - HB2 LEU 57 - HE3 LYS 73 lone 6 62 - 9 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 13 lone 6 76 - 7 - HB2 LYS 83 - HE3 LYS 75 lone 6 95 - 6 - HB3 ARG 84 - HE3 LYS 73 lone 6 81 - 7 - HB2 ARG 69 - HE2 LYS 73 lone 6 82 - 7 - 2797/3.7=2 HB2 ARG 69 - HE3 LYS 73 lone 6 81 - 7 - 2797/3.7=2 HB ILE 33 - HE3 LYS 13 lone 5 81 - 7 - 1021/3.8=1, 1655/3.8=1 HB ILE 33 - HE2 LYS 13 lone 5 81 - 7 - 1021/3.8=1, 1655/3.8=1 HB2 ARG 69 - HE3 LYS 13 lone 5 95 - 6 - 1021/3.8=1 HB2 ARG 69 - HE2 LYS 13 lone 5 94 - 6 - 1021/3.8=1 HB2 LEU 57 - HE3 LYS 32 lone 5 65 - 8 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 5 64 - 8 - 3.1/4604=1 HB2 LYS 85 - HE2 LYS 39 lone 5 85 - 5 - HB2 LYS 85 - HE3 LYS 39 lone 4 82 - 5 - HB ILE 33 - HE3 LYS 32 lone 4 69 - 6 - 4219/3.9=2, 1586/3.9=1 HB2 ARG 69 - HE2 LYS 39 lone 4 85 - 5 - HB ILE 33 - HE2 LYS 32 lone 4 68 - 6 - 4219/3.9=2, 1586/3.9=1 HB2 ARG 69 - HE3 LYS 39 lone 4 82 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 4 86 - 5 - HB2 PRO 34 - HE3 LYS 73 lone 4 85 - 5 - HB2 LEU 57 - HE2 LYS 75 lone 4 71 - 6 - HB2 LEU 57 - HE3 LYS 75 lone 4 70 - 6 - HB2 LEU 57 - HE2 LYS 39 lone 4 66 - 6 - HB2 LEU 57 - HE3 LYS 39 lone 4 64 - 6 - HB2 LYS 83 - HE2 LYS 13 lone 4 99 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 4 99 - 3 - HB2 LYS 85 - HE3 LYS 32 lone 3 84 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 3 82 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 3 84 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 90 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 3 82 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 3 88 - 4 - HB2 LYS 83 - HE3 LYS 39 lone 3 88 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 3 87 - 4 - HB3 ARG 84 - HE3 LYS 32 lone 3 84 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 3 82 - 4 - HB3 ARG 84 - HE2 LYS 39 lone 3 85 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 93 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 93 - 3 - HB3 ARG 84 - HE3 LYS 39 lone 3 82 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 97 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 3 97 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 64 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 2 69 - 3 - HB2 ARG 54 - HE3 LYS 75 lone 2 68 - 3 - HB2 ARG 54 - HE2 LYS 73 lone 2 61 - 4 - HB ILE 33 - HE2 LYS 39 lone 2 71 - 3 - HB2 ARG 54 - HE3 LYS 73 lone 2 60 - 4 - HB3 ARG 82 - HE3 LYS 39 lone 2 61 - 4 - HB ILE 33 - HE3 LYS 39 lone 2 68 - 3 - HB3 ARG 84 - HE2 LYS 75 lone 2 90 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 2 89 - 2 - HB3 ARG 82 - HE2 LYS 73 lone 2 61 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 60 - 3 - HB ILE 33 - HE2 LYS 75 lone 2 76 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 2 95 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 2 94 - 2 - HB ILE 33 - HE3 LYS 75 lone 2 75 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 1 89 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 1 88 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE3 LYS 32 lone 1 63 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 1 61 - 2 - HB ILE 33 - HE2 LYS 73 lone 1 68 - 2 - HB ILE 33 - HE3 LYS 73 lone 1 67 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 69 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 68 - 2 - Peak 1072 from cnoeabs.peaks (1.68, 2.96, 41.89 ppm; 2.71 A): 8 out of 120 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD2 LYS 13 + HE3 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD2 LYS 13 + HE2 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD3 LYS 13 + HE2 LYS 13 OK 77 90 - 85 - 2.9=78, 1.8/1057=3...(15) HD3 LYS 75 + HE2 LYS 75 OK 70 84 - 83 - 2.9=78, 1.8/1048=3...(11) HD2 LYS 75 + HE2 LYS 75 OK 70 84 - 83 - 2.9=78, 1.8/1048=3...(11) HD3 LYS 75 + HE3 LYS 75 OK 69 83 - 83 - 2.9=78, 1.8/3124=3...(11) HD2 LYS 75 + HE3 LYS 75 OK 69 83 - 83 - 2.9=78, 1.8/3124=3...(11) HB3 LYS 13 - HE2 LYS 13 OK 38 100 - 38 - 5.2=14, 3.0/1063=2...(8) ! HB3 LYS 13 - HE3 LYS 13 OK 38 100 - 38 - 5.2=14, 3.0/1063=2...(8) HB3 LYS 13 - HE2 LYS 75 OK 20 98 - 21 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 20 97 - 21 - 3.0/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 86 - 21 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 18 86 - 21 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 18 85 - 21 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 18 85 - 21 - 2.9/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD2 LYS 75 - HE2 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD2 LYS 75 - HE3 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD3 LYS 75 - HE3 LYS 13 OK 10 89 - 12 - 1022/3.8=1 HD3 LYS 75 - HE2 LYS 39 poor 8 79 - 10 - HD2 LYS 75 - HE2 LYS 39 poor 8 79 - 10 - HD3 LYS 75 - HE3 LYS 39 poor 8 76 - 10 - HD2 LYS 75 - HE3 LYS 39 poor 8 76 - 10 - HD3 LYS 75 - HE2 LYS 73 poor 8 76 - 10 - HD2 LYS 75 - HE2 LYS 73 poor 8 76 - 10 - HD2 LYS 75 - HE3 LYS 73 poor 7 75 - 10 - HD3 LYS 75 - HE3 LYS 73 poor 7 75 - 10 - HB3 LYS 13 - HE2 LYS 73 lone 7 91 - 8 - HB3 LYS 13 - HE3 LYS 73 lone 7 90 - 8 - HB3 LEU 64 - HE2 LYS 39 lone 6 80 - 8 - 2630/3.6=2 HB3 LYS 13 - HE2 LYS 39 lone 6 94 - 7 - HB3 LYS 13 - HE3 LYS 39 lone 6 91 - 7 - HB3 LEU 64 - HE3 LYS 39 lone 6 78 - 8 - 2630/3.6=2 HD2 LYS 13 - HE2 LYS 73 lone 6 78 - 8 - HD3 LYS 13 - HE2 LYS 73 lone 6 78 - 8 - HD2 LYS 13 - HE3 LYS 73 lone 6 76 - 8 - HD3 LYS 13 - HE3 LYS 73 lone 6 76 - 8 - HD2 LYS 13 - HE2 LYS 39 lone 5 80 - 7 - HD3 LYS 13 - HE2 LYS 39 lone 5 80 - 7 - HD3 LYS 13 - HE3 LYS 39 lone 5 78 - 7 - HD2 LYS 13 - HE3 LYS 39 lone 5 78 - 7 - HD2 LYS 75 - HE3 LYS 32 lone 4 77 - 5 - HD3 LYS 75 - HE3 LYS 32 lone 4 77 - 5 - HD2 LYS 75 - HE2 LYS 32 lone 4 76 - 5 - HD3 LYS 75 - HE2 LYS 32 lone 4 76 - 5 - HB3 LYS 13 - HE3 LYS 32 lone 4 93 - 4 - HB3 LYS 13 - HE2 LYS 32 lone 4 91 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 79 - 4 - HD2 LYS 13 - HE3 LYS 32 lone 3 79 - 4 - HD2 LYS 13 - HE2 LYS 32 lone 3 78 - 4 - HD3 LYS 13 - HE2 LYS 32 lone 3 78 - 4 - HG2 ARG 23 - HE2 LYS 39 lone 3 88 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 3 85 - 3 - HG LEU 29 - HE3 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE2 LYS 13 lone 3 99 - 3 - HG LEU 29 - HE2 LYS 39 lone 3 91 - 3 - HG LEU 29 - HE3 LYS 39 lone 2 89 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 2 78 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 2 78 - 3 - HG LEU 29 - HE2 LYS 75 lone 2 96 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 95 - 2 - HB3 GLN 61 - HE2 LYS 75 lone 2 73 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 2 73 - 3 - HB2 ARG 82 - HE2 LYS 39 lone 2 85 - 2 - HB3 LEU 64 - HE2 LYS 13 lone 2 90 - 2 - HB3 LEU 64 - HE3 LYS 13 lone 2 90 - 2 - HB2 ARG 82 - HE2 LYS 73 lone 2 82 - 2 - HB2 ARG 82 - HE3 LYS 73 lone 2 81 - 2 - HB2 ARG 82 - HE3 LYS 39 lone 2 82 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 92 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 92 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 89 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 87 - 2 - HB3 LEU 64 - HE2 LYS 75 lone 1 86 - 2 - HG3 ARG 66 - HE3 LYS 32 lone 1 82 - 2 - HB3 LEU 64 - HE3 LYS 75 lone 1 85 - 2 - HG3 ARG 66 - HE2 LYS 32 lone 1 81 - 2 - HG2 ARG 70 - HE3 LYS 32 lone 1 55 - 2 - HG2 ARG 70 - HE2 LYS 32 lone 1 54 - 2 - HB2 ARG 82 - HE3 LYS 32 lone 1 84 - 2 - HB2 ARG 82 - HE2 LYS 32 lone 1 82 - 2 - HG LEU 29 - HE3 LYS 32 lone 1 90 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 89 - 1 - HB3 LEU 64 - HE3 LYS 32 lone 1 79 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 97 - 1 - HB3 LEU 64 - HE2 LYS 32 lone 1 78 - 1 - HB2 ARG 82 - HE2 LYS 13 lone 1 94 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 1 95 - 1 - HG2 ARG 70 - HE2 LYS 73 lone 1 54 - 1 - HG2 ARG 70 - HE3 LYS 73 lone 1 53 - 1 - HB3 LEU 64 - HE2 LYS 73 lone 1 78 - 1 - HB2 ARG 82 - HE2 LYS 75 lone 1 90 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 1 89 - 1 - HB3 LEU 64 - HE3 LYS 73 lone 1 76 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 85 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 84 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 67 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 66 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 86 - 1 - HG2 ARG 23 - HE2 LYS 32 lone 0 85 - 1 - HG3 ARG 66 - HE3 LYS 13 lone 0 93 - 1 - HG3 ARG 66 - HE2 LYS 13 lone 0 93 - 1 - HG3 ARG 66 - HE2 LYS 39 lone 0 84 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 0 66 - 1 - HG3 ARG 66 - HE3 LYS 39 lone 0 81 - 1 - HG3 ARG 66 - HE2 LYS 73 lone 0 81 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 0 65 - 1 - HG3 ARG 66 - HE3 LYS 73 lone 0 80 - 1 - HG3 ARG 66 - HE2 LYS 75 lone 0 89 - 0 - HG3 ARG 66 - HE3 LYS 75 lone 0 88 - 0 - HG2 ARG 70 - HE2 LYS 75 lone 0 61 - 1 - HG2 ARG 70 - HE3 LYS 75 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 68 - 0 - HG2 ARG 70 - HE3 LYS 13 lone 0 65 - 0 - HG2 ARG 70 - HE2 LYS 13 lone 0 65 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 66 - 0 - HG2 ARG 70 - HE2 LYS 39 lone 0 56 - 0 - HG2 ARG 70 - HE3 LYS 39 lone 0 54 - 0 - Peak 1073 from cnoeabs.peaks (1.42, 2.96, 41.89 ppm; 3.22 A): 4 out of 70 assignments used, quality = 0.99: HG2 LYS 13 + HE2 LYS 13 OK 78 100 - 78 - 3.8=60, 1043/2.9=6...(28) * HG2 LYS 13 + HE3 LYS 13 OK 78 100 - 78 - 3.8=60, 1043/2.9=6...(28) HG3 LYS 39 + HE2 LYS 39 OK 64 75 - 85 - 3.6=72, 1879/3.0=7...(14) HG3 LYS 39 + HE3 LYS 39 OK 62 72 - 85 - 3.6=72, 1879/3.0=7...(14) HG2 LYS 13 - HE2 LYS 75 OK 32 98 - 33 - 1028=3, 1028/1.8=3...(6) HG2 LYS 13 - HE3 LYS 75 OK 32 97 - 33 - 1028=3, 1028/1.8=3...(6) HG3 LYS 39 - HE2 LYS 75 OK 31 80 - 39 - 1.8/1870=2, 1880=2...(13) HG3 LYS 39 - HE3 LYS 75 OK 30 79 - 39 - 1.8/1870=2, 1880/1.8=2...(13) HG3 LYS 39 - HE3 LYS 13 OK 21 85 - 24 - 1.8/1870=2, 1881/1.8=1...(7) HG3 LYS 39 - HE2 LYS 13 OK 21 85 - 24 - 1.8/1870=2, 1880=1...(7) HB3 LEU 43 - HE3 LYS 13 OK 20 93 - 21 - 1033/3.8=3, 1013/5.2=2...(8) HB3 LEU 43 - HE2 LYS 13 OK 20 93 - 21 - 1033/3.8=3, 1013/5.2=2...(8) HG3 LYS 39 - HE2 LYS 73 OK 15 72 - 20 - 1.8/1870=1 HG3 LYS 39 - HE3 LYS 73 OK 14 71 - 20 - 1.8/1870=1 HG3 LYS 39 - HE3 LYS 32 OK 13 74 - 17 - HG3 LYS 39 - HE2 LYS 32 OK 12 72 - 17 - HG2 LYS 13 - HE2 LYS 73 OK 11 91 - 12 - 1024/3.7=1, 1021/4.7=1...(4) HG2 LYS 13 - HE2 LYS 39 OK 11 94 - 12 - 1021/4.7=1, 1027=1...(4) HG2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - 1024/3.7=1, 1021/4.7=1...(4) HG2 LYS 13 - HE3 LYS 39 OK 11 91 - 12 - 1021/4.7=1, 1027=1...(4) HB3 LEU 43 - HE2 LYS 39 poor 9 84 - 11 - 3.1/4909=2, ~4909=2 HB3 LEU 43 - HE3 LYS 39 poor 9 81 - 11 - 3.1/4909=2, ~4909=2 HG13 ILE 89 - HE2 LYS 13 lone 7 90 - 8 - 1033/3.8=1 HG13 ILE 89 - HE3 LYS 13 lone 7 90 - 8 - 1033/3.8=1 HG2 LYS 13 - HE3 LYS 32 lone 6 93 - 6 - HG2 LYS 13 - HE2 LYS 32 lone 6 91 - 6 - HG13 ILE 89 - HE2 LYS 73 lone 6 78 - 8 - 3627/4.7=2 HG13 ILE 89 - HE3 LYS 73 lone 6 76 - 8 - 3627/4.7=2 HB3 ARG 69 - HE2 LYS 75 lone 5 56 - 10 - ~2795=1 HB3 ARG 69 - HE3 LYS 75 lone 5 55 - 10 - ~2795=1 HG12 ILE 33 - HE3 LYS 13 lone 4 81 - 5 - HG12 ILE 33 - HE2 LYS 13 lone 4 81 - 5 - HG13 ILE 89 - HE2 LYS 75 lone 4 86 - 5 - HG13 ILE 89 - HE3 LYS 75 lone 4 85 - 5 - QB ALA 30 - HE3 LYS 13 lone 3 78 - 4 - QB ALA 30 - HE2 LYS 13 lone 3 78 - 4 - HG12 ILE 33 - HE3 LYS 32 lone 3 69 - 4 - HG12 ILE 33 - HE2 LYS 32 lone 3 68 - 4 - HB3 LEU 43 - HE2 LYS 75 lone 2 89 - 3 - HB3 ARG 69 - HE2 LYS 73 lone 2 49 - 5 - HB3 LEU 43 - HE3 LYS 75 lone 2 88 - 3 - HB3 ARG 69 - HE3 LYS 73 lone 2 48 - 5 - HB3 ARG 69 - HE2 LYS 13 lone 2 60 - 4 - HB3 ARG 69 - HE3 LYS 13 lone 2 60 - 4 - HG13 ILE 89 - HE2 LYS 39 lone 2 80 - 3 - HG13 ILE 89 - HE3 LYS 39 lone 2 78 - 3 - HB3 ARG 69 - HE2 LYS 39 lone 2 51 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 2 49 - 4 - QB ALA 30 - HE3 LYS 32 lone 2 67 - 2 - 5541/7.0=1 HB3 ARG 69 - HE3 LYS 32 lone 2 50 - 3 - QB ALA 30 - HE2 LYS 32 lone 2 66 - 2 - 5541/7.0=1 HB3 ARG 69 - HE2 LYS 32 lone 2 49 - 3 - HG13 ILE 89 - HE3 LYS 32 lone 1 79 - 2 - HG13 ILE 89 - HE2 LYS 32 lone 1 78 - 2 - HG12 ILE 33 - HE2 LYS 75 lone 1 76 - 2 - HG12 ILE 33 - HE3 LYS 75 lone 1 75 - 2 - HB3 LEU 43 - HE2 LYS 73 lone 1 81 - 1 - HB3 LEU 43 - HE3 LYS 73 lone 1 80 - 1 - HB3 LEU 43 - HE3 LYS 32 lone 1 82 - 1 - HB3 LEU 43 - HE2 LYS 32 lone 1 81 - 1 - QB ALA 30 - HE2 LYS 75 lone 1 73 - 1 - QB ALA 30 - HE3 LYS 75 lone 1 73 - 1 - HG12 ILE 33 - HE2 LYS 73 lone 1 68 - 2 - HG12 ILE 33 - HE3 LYS 73 lone 1 67 - 2 - QB ALA 30 - HE2 LYS 73 lone 1 66 - 1 - QB ALA 30 - HE3 LYS 73 lone 1 65 - 1 - HG12 ILE 33 - HE2 LYS 39 lone 1 71 - 1 - HG12 ILE 33 - HE3 LYS 39 lone 1 68 - 1 - QB ALA 30 - HE2 LYS 39 lone 1 68 - 1 - QB ALA 30 - HE3 LYS 39 lone 1 66 - 1 - Peak 1074 from cnoeabs.peaks (1.46, 2.96, 41.89 ppm; 3.32 A): 4 out of 90 assignments used, quality = 0.99: HG3 LYS 13 + HE2 LYS 13 OK 81 100 - 81 - 3.8=66, 1036/2.9=5...(26) * HG3 LYS 13 + HE3 LYS 13 OK 81 100 - 81 - 3.8=66, 1036/2.9=5...(26) HG2 LYS 73 + HE2 LYS 73 OK 53 66 - 80 - 3.7=72, 789/7.3=2...(11) HG2 LYS 73 + HE3 LYS 73 OK 52 65 - 80 - 3.7=72, 789/7.3=2...(11) HG3 LYS 13 - HE2 LYS 75 OK 35 98 - 36 - 1.8/1028=3, ~1028=2...(12) HG3 LYS 13 - HE3 LYS 75 OK 34 97 - 36 - 1.8/1028=3, ~1028=2...(12) HG2 LYS 73 - HE2 LYS 75 OK 26 73 - 36 - 1.8/6146=2, 1038=1...(8) HG2 LYS 73 - HE3 LYS 75 OK 26 73 - 36 - 1.8/6146=2, 1038=1...(8) HG2 LYS 73 - HE2 LYS 13 OK 18 78 - 23 - 1024/3.8=1, 1.8/6146=1 HG2 LYS 73 - HE3 LYS 13 OK 18 78 - 23 - 1024/3.8=1, 1.8/6146=1 HB3 LEU 43 - HE3 LYS 13 OK 18 85 - 21 - 1024/3.8=3, 2017/6.5=2...(10) HB3 LEU 43 - HE2 LYS 13 OK 18 85 - 21 - 1024/3.8=3, 2017/6.5=2...(10) HG3 LYS 85 - HE2 LYS 75 OK 18 97 - 18 - 1.8/6146=1 HG3 LYS 85 - HE3 LYS 75 OK 18 97 - 18 - 1.8/6146=1 HG2 LYS 73 - HE3 LYS 32 OK 16 67 - 24 - 2994/3.0=1, 2994/3.0=1 HG2 LYS 73 - HE2 LYS 32 OK 16 66 - 24 - 2994/3.0=1, 2994/3.0=1 HG3 LYS 85 - HE2 LYS 13 OK 15 100 - 15 - 1024/3.8=2, 1014/5.2=1 HG3 LYS 85 - HE3 LYS 13 OK 15 100 - 15 - 1024/3.8=2, 1014/5.2=1 HG3 LYS 85 - HE2 LYS 73 OK 12 91 - 14 - HG3 LYS 85 - HE3 LYS 73 OK 12 89 - 14 - HG3 LYS 13 - HE2 LYS 73 OK 11 91 - 12 - 1.8/1028=1 HG3 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - 1.8/1028=1 HG3 LYS 13 - HE2 LYS 39 OK 10 94 - 11 - 1.8/1027=1, 1033/3.6=1 HG3 LYS 13 - HE3 LYS 39 OK 10 91 - 11 - 1.8/1027=1, 1033/3.6=1 HG2 LYS 73 - HE2 LYS 39 poor 9 68 - 13 - HG2 LYS 73 - HE3 LYS 39 poor 9 66 - 13 - HB3 LEU 43 - HE2 LYS 39 poor 9 75 - 11 - 3.1/4909=3, ~4909=2 HB3 LEU 43 - HE3 LYS 39 poor 8 72 - 11 - 3.1/4909=3, ~4909=2 HB3 LEU 57 - HE2 LYS 73 lone 7 84 - 9 - 3.8/5745=1 HG13 ILE 89 - HE2 LYS 13 lone 7 89 - 8 - 1024/3.8=2 HB3 LEU 57 - HE3 LYS 73 lone 7 82 - 9 - 3.8/5745=1 HG13 ILE 89 - HE3 LYS 13 lone 7 89 - 8 - 1024/3.8=2 HB3 LEU 57 - HE3 LYS 32 lone 7 85 - 8 - 3.1/4604=1 HB3 LEU 57 - HE2 LYS 32 lone 7 84 - 8 - 3.1/4604=1 HB3 LEU 57 - HE3 LYS 13 lone 7 96 - 7 - HB3 LEU 57 - HE2 LYS 13 lone 7 96 - 7 - HG3 LYS 13 - HE3 LYS 32 lone 7 93 - 7 - HG3 LYS 13 - HE2 LYS 32 lone 7 91 - 7 - HG12 ILE 33 - HE3 LYS 13 lone 6 96 - 6 - 1024/3.8=1 HG12 ILE 33 - HE2 LYS 13 lone 6 96 - 6 - 1024/3.8=1 HG13 ILE 89 - HE2 LYS 73 lone 6 76 - 8 - 3627/4.7=2 HG13 ILE 89 - HE3 LYS 73 lone 6 75 - 8 - 3627/4.7=2 HG12 ILE 33 - HE3 LYS 32 lone 5 85 - 6 - 5543/6.4=2, 5541/7.0=1 HG12 ILE 33 - HE2 LYS 32 lone 5 84 - 6 - 5543/6.4=2, 5541/7.0=1 HB3 LEU 57 - HE2 LYS 75 lone 5 91 - 5 - HB3 LEU 57 - HE3 LYS 75 lone 5 91 - 5 - HB3 LEU 52 - HE3 LYS 32 lone 5 77 - 6 - 2267/3.9=1 HB3 LEU 52 - HE2 LYS 32 lone 5 76 - 6 - 2267/3.9=1 HG13 ILE 89 - HE2 LYS 75 lone 5 84 - 5 - HG13 ILE 89 - HE3 LYS 75 lone 5 83 - 5 - HB3 LEU 57 - HE2 LYS 39 lone 4 86 - 5 - QB ALA 30 - HE3 LYS 13 lone 4 97 - 4 - QB ALA 30 - HE2 LYS 13 lone 4 97 - 4 - HG3 LYS 85 - HE3 LYS 32 lone 4 92 - 4 - HB3 LEU 57 - HE3 LYS 39 lone 4 84 - 5 - HG3 LYS 85 - HE2 LYS 32 lone 4 91 - 4 - HG3 LYS 85 - HE2 LYS 39 lone 4 93 - 4 - HG3 LYS 85 - HE3 LYS 39 lone 4 91 - 4 - QB ALA 30 - HE3 LYS 32 lone 3 86 - 4 - 5541/7.0=2, 5543/6.4=1 QB ALA 30 - HE2 LYS 32 lone 3 85 - 4 - 5541/7.0=2, 5543/6.4=1 HB3 LEU 52 - HE2 LYS 73 lone 3 76 - 4 - HB3 LEU 52 - HE3 LYS 73 lone 3 75 - 4 - HB3 LEU 43 - HE2 LYS 75 lone 3 80 - 3 - HB3 LEU 43 - HE3 LYS 75 lone 2 79 - 3 - HB3 LEU 52 - HE3 LYS 13 lone 2 89 - 3 - HB3 LEU 52 - HE2 LYS 13 lone 2 89 - 3 - HG13 ILE 89 - HE2 LYS 39 lone 2 79 - 3 - HG13 ILE 89 - HE3 LYS 39 lone 2 76 - 3 - QB ALA 30 - HE2 LYS 75 lone 2 92 - 2 - QB ALA 30 - HE3 LYS 75 lone 2 92 - 2 - HG12 ILE 33 - HE2 LYS 75 lone 2 91 - 2 - HG12 ILE 33 - HE3 LYS 75 lone 2 91 - 2 - HG13 ILE 89 - HE3 LYS 32 lone 2 77 - 2 - HG13 ILE 89 - HE2 LYS 32 lone 2 76 - 2 - HG12 ILE 33 - HE2 LYS 73 lone 2 84 - 2 - HG12 ILE 33 - HE3 LYS 73 lone 1 82 - 2 - HB3 LEU 43 - HE3 LYS 32 lone 1 74 - 2 - HB3 LEU 43 - HE2 LYS 32 lone 1 72 - 2 - HB3 LEU 52 - HE2 LYS 39 lone 1 79 - 2 - HB3 LEU 52 - HE3 LYS 39 lone 1 76 - 2 - QB ALA 30 - HE2 LYS 73 lone 1 85 - 1 - HB3 LEU 43 - HE2 LYS 73 lone 1 72 - 2 - QB ALA 30 - HE3 LYS 73 lone 1 84 - 1 - HB3 LEU 43 - HE3 LYS 73 lone 1 71 - 2 - HG12 ILE 33 - HE2 LYS 39 lone 1 86 - 1 - HG12 ILE 33 - HE3 LYS 39 lone 1 84 - 1 - HB3 LEU 52 - HE2 LYS 75 lone 1 84 - 1 - HB3 LEU 52 - HE3 LYS 75 lone 1 83 - 1 - QB ALA 30 - HE2 LYS 39 lone 1 88 - 1 - QB ALA 30 - HE3 LYS 39 lone 1 85 - 1 - Peak 1075 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 8 out of 90 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1043/3.8=3...(13) * HD2 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1043/3.8=3...(13) HD3 LYS 75 + HE2 LYS 75 OK 71 98 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 71 98 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HB3 LYS 13 - HE2 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HB3 LYS 13 - HE3 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HD3 LYS 13 - HE2 LYS 75 OK 18 98 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 98 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 86 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 85 - 19 - 3.0/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE3 LYS 13 OK 10 100 - 10 - HD3 LYS 75 - HE3 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 39 lone 8 94 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 94 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 91 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 8 91 - 9 - HD2 LYS 75 - HE2 LYS 73 lone 8 91 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 8 91 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 90 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 90 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 91 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 91 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 90 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 90 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 94 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 94 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 91 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 91 - 6 - HB3 LYS 13 - HE2 LYS 73 lone 5 78 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 5 76 - 7 - HB3 LYS 13 - HE2 LYS 39 lone 5 80 - 6 - HB3 LYS 13 - HE3 LYS 39 lone 5 78 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 92 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 92 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 91 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 91 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 93 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 93 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 91 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 91 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 79 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 78 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 96 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 3 92 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 90 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 90 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 87 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 94 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 94 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 97 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 96 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 87 - 2 - HG LEU 29 - HE3 LYS 73 lone 1 86 - 2 - HG2 ARG 23 - HE2 LYS 13 lone 1 100 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 100 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 91 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 89 - 1 - HB2 ARG 82 - HE2 LYS 39 lone 1 51 - 2 - HB2 ARG 82 - HE3 LYS 39 lone 1 49 - 1 - HB2 ARG 82 - HE2 LYS 73 lone 1 49 - 1 - HB2 ARG 82 - HE3 LYS 73 lone 1 48 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 88 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 87 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 90 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 89 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 89 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 88 - 1 - HB2 ARG 82 - HE3 LYS 32 lone 1 50 - 1 - HB2 ARG 82 - HE2 LYS 32 lone 1 49 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 91 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 90 - 0 - HB2 ARG 82 - HE2 LYS 13 lone 0 60 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 92 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 89 - 0 - HB2 ARG 82 - HE2 LYS 75 lone 0 56 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 0 55 - 1 - Peak 1076 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.56 A): 8 out of 90 assignments used, quality = 1.00: HD3 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE2 LYS 13 OK 75 100 - 75 - 2.9=66, 1053/3.8=3...(13) * HD3 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1043/3.8=3...(13) HD2 LYS 13 + HE3 LYS 13 OK 75 100 - 75 - 2.9=66, 1043/3.8=3...(13) HD3 LYS 75 + HE2 LYS 75 OK 71 98 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 71 98 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 71 97 - 73 - 2.9=66, 3125/1.8=2...(11) HB3 LYS 13 - HE2 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HB3 LYS 13 - HE3 LYS 13 OK 31 90 - 34 - 5.2=12, 1035/3.8=2...(5) HD3 LYS 13 - HE2 LYS 75 OK 18 98 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 18 98 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HD2 LYS 13 - HE3 LYS 75 OK 18 97 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 86 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 85 - 19 - 3.0/1028=1 HD3 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE3 LYS 13 OK 10 100 - 10 - HD3 LYS 75 - HE3 LYS 13 OK 10 100 - 10 - HD2 LYS 75 - HE2 LYS 39 lone 8 94 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 94 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 91 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 8 91 - 9 - HD2 LYS 75 - HE2 LYS 73 lone 8 91 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 8 91 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 90 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 90 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 91 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 91 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 90 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 90 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 94 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 94 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 91 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 91 - 6 - HB3 LYS 13 - HE2 LYS 73 lone 5 78 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 5 76 - 7 - HB3 LYS 13 - HE2 LYS 39 lone 5 80 - 6 - HB3 LYS 13 - HE3 LYS 39 lone 5 78 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 92 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 92 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 91 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 91 - 4 - HD3 LYS 13 - HE3 LYS 32 lone 3 93 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 93 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 91 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 91 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 79 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 99 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 78 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 96 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 3 92 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 90 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 90 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 98 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 87 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 94 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 94 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 97 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 96 - 2 - HG LEU 29 - HE2 LYS 73 lone 1 87 - 2 - HG LEU 29 - HE3 LYS 73 lone 1 86 - 2 - HG2 ARG 23 - HE2 LYS 13 lone 1 100 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 100 - 1 - HB3 GLN 61 - HE3 LYS 32 lone 1 91 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 89 - 1 - HB2 ARG 82 - HE2 LYS 39 lone 1 51 - 2 - HB2 ARG 82 - HE3 LYS 39 lone 1 49 - 1 - HB2 ARG 82 - HE2 LYS 73 lone 1 49 - 1 - HB2 ARG 82 - HE3 LYS 73 lone 1 48 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 88 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 87 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 90 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 89 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 89 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 88 - 1 - HB2 ARG 82 - HE3 LYS 32 lone 1 50 - 1 - HB2 ARG 82 - HE2 LYS 32 lone 1 49 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 91 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 90 - 0 - HB2 ARG 82 - HE2 LYS 13 lone 0 60 - 1 - HB2 ARG 82 - HE3 LYS 13 lone 0 60 - 1 - HB3 GLN 61 - HE2 LYS 39 lone 0 92 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 89 - 0 - HB2 ARG 82 - HE2 LYS 75 lone 0 56 - 1 - HB2 ARG 82 - HE3 LYS 75 lone 0 55 - 1 - Peak 1077 from cnoeabs.peaks (2.97, 2.96, 41.89 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 75 + HE3 LYS 75 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 89 89 - 100 HE3 LYS 32 + HE3 LYS 32 OK 84 84 - 100 HE3 LYS 39 + HE3 LYS 39 OK 84 84 - 100 HE2 LYS 32 + HE2 LYS 32 OK 81 81 - 100 HE2 LYS 73 + HE2 LYS 73 OK 81 81 - 100 HE3 LYS 73 + HE3 LYS 73 OK 78 78 - 100 Reference assignment not found: HE2 LYS 13 - HE3 LYS 13 Peak 1078 from cnoeabs.peaks (2.96, 2.96, 41.89 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 97 97 - 100 HE3 LYS 75 + HE3 LYS 75 OK 96 96 - 100 HE2 LYS 39 + HE2 LYS 39 OK 88 88 - 100 HE3 LYS 32 + HE3 LYS 32 OK 85 85 - 100 HE2 LYS 32 + HE2 LYS 32 OK 82 82 - 100 HE2 LYS 73 + HE2 LYS 73 OK 82 82 - 100 HE3 LYS 39 + HE3 LYS 39 OK 82 82 - 100 HE3 LYS 73 + HE3 LYS 73 OK 80 80 - 100 Peak 1080 from cnoeabs.peaks (2.27, 3.79, 50.51 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 3.0=100 HG2 GLU 25 - HD2 PRO 14 OK 36 89 - 41 - 1087/1.8=8, 1094/3.6=6...(11) HG3 GLU 25 - HD2 PRO 14 OK 26 68 - 38 - ~1087=6, 1087/1.8=6...(11) Peak 1081 from cnoeabs.peaks (1.89, 3.79, 50.51 ppm; 4.44 A): 2 out of 11 assignments used, quality = 1.00: * HB3 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HD2 PRO 14 OK 53 100 - 54 - 1088/1.8=7, 965/2.3=7...(20) HB2 ARG 66 - HD2 PRO 14 OK 32 97 - 34 - 1088/1.8=5, 1095/3.6=3...(17) HB ILE 68 - HD2 PRO 14 OK 29 97 - 30 - 1088/1.8=5, ~5252=3...(12) HG12 ILE 40 - HD2 PRO 14 OK 25 87 - 28 - 1088/1.8=4, ~1951=3...(14) HB3 PRO 34 - HD2 PRO 14 OK 17 95 - 18 - 1.8/4813=3, ~4820=2...(5) HB3 ARG 26 - HD2 PRO 14 OK 15 99 - 14 - 1088/1.8=2, 1102/3.0=2...(5) HB2 ARG 26 - HD2 PRO 14 OK 15 99 - 14 - 1088/1.8=2, 1102/3.0=2...(5) HB2 GLN 91 - HD2 PRO 14 lone 3 97 - 3 - HB2 GLU 19 - HD2 PRO 14 lone 2 76 - 2 - HB3 GLU 87 - HD2 PRO 14 lone 2 81 - 2 - Peak 1082 from cnoeabs.peaks (1.98, 3.79, 50.51 ppm; 3.29 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 2.3=100 * HG2 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 2.3=100 HG LEU 43 - HD2 PRO 14 OK 32 100 - 32 - 4.3/4801=6, 1090/1.8=4...(14) HB3 MET 11 - HD2 PRO 14 OK 22 78 - 29 - 1.8/1081=4, 969/3.0=3...(15) HB2 LEU 64 - HD2 PRO 14 OK 12 95 - 12 - 1090/1.8=2, 1.8/5907=1...(4) HG2 ARG 66 - HD2 PRO 14 OK 11 68 - 17 - 2.8/1081=2, 1.8/5907=2...(8) HB3 GLN 79 - HD2 PRO 14 lone 7 97 - 7 - HB2 GLN 79 - HD2 PRO 14 lone 6 87 - 7 - QE MET 31 - HD2 PRO 14 lone 4 100 - 4 - Peak 1083 from cnoeabs.peaks (1.98, 3.79, 50.51 ppm; 3.29 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 2.3=100 HG LEU 43 - HD2 PRO 14 OK 32 100 - 32 - 4.3/4801=6, 1090/1.8=4...(14) HB3 MET 11 - HD2 PRO 14 OK 22 78 - 29 - 1.8/1081=4, 969/3.0=3...(15) HB2 LEU 64 - HD2 PRO 14 OK 12 95 - 12 - 1090/1.8=2, 1.8/5907=1...(4) HG2 ARG 66 - HD2 PRO 14 OK 11 68 - 17 - 2.8/1081=2, 1.8/5907=2...(8) HB3 GLN 79 - HD2 PRO 14 lone 7 97 - 7 - HB2 GLN 79 - HD2 PRO 14 lone 6 87 - 7 - QE MET 31 - HD2 PRO 14 lone 4 100 - 4 - Peak 1084 from cnoeabs.peaks (3.79, 3.79, 50.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HD2 PRO 14 OK 100 100 - 100 Peak 1085 from cnoeabs.peaks (3.62, 3.79, 50.51 ppm; 2.44 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 14 + HD2 PRO 14 OK 100 100 - 100 - 1.8=100 HA ILE 40 - HD2 PRO 14 poor 9 90 - 10 - 1113/3.0=2, 5125/2.3=1...(4) HA ARG 69 - HD2 PRO 14 lone 9 96 - 9 - 1113/3.0=1, 1106/3.0=1 HA VAL 65 - HD2 PRO 14 lone 8 93 - 8 - 1113/3.0=1 Peak 1087 from cnoeabs.peaks (2.27, 3.62, 50.51 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 3.0=100 HG2 GLU 25 - HD3 PRO 14 OK 42 89 - 47 - 1080/1.8=10, 1094/3.6=7...(13) HG3 GLU 25 - HD3 PRO 14 OK 30 68 - 44 - ~1080=8, 1080/1.8=7...(13) Peak 1088 from cnoeabs.peaks (1.89, 3.62, 50.51 ppm; 4.11 A): 2 out of 11 assignments used, quality = 1.00: * HB3 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 3.0=100 HB2 MET 11 + HD3 PRO 14 OK 50 100 - 50 - 965/2.3=7, 965/2.3=7...(20) HB ILE 68 - HD3 PRO 14 OK 36 97 - 37 - 4750=5, 2.1/4751=4...(14) HB2 ARG 66 - HD3 PRO 14 OK 32 97 - 33 - 1081/1.8=4, 1102/3.0=3...(13) HG12 ILE 40 - HD3 PRO 14 OK 28 87 - 32 - 1944=4, 2.1/1958=3...(14) HB3 PRO 34 - HD3 PRO 14 OK 15 95 - 15 - 1.8/4820=3, 1081/1.8=2...(5) HB3 ARG 26 - HD3 PRO 14 OK 13 99 - 13 - 1081/1.8=2, 1102/3.0=2...(5) HB2 ARG 26 - HD3 PRO 14 OK 13 99 - 13 - 1081/1.8=2, 1102/3.0=2...(5) HB2 GLN 91 - HD3 PRO 14 lone 3 97 - 3 - HB3 GLU 87 - HD3 PRO 14 lone 2 81 - 2 - HB2 GLU 19 - HD3 PRO 14 lone 2 76 - 2 - Peak 1089 from cnoeabs.peaks (1.98, 3.62, 50.51 ppm; 3.46 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 2.3=100 * HG2 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 2.3=100 HG LEU 43 - HD3 PRO 14 OK 36 100 - 36 - 4.3/4802=7, 1083/1.8=4...(17) HB3 MET 11 - HD3 PRO 14 OK 25 78 - 33 - 1.8/1088=4, 969/3.0=4...(15) HB2 LEU 64 - HD3 PRO 14 OK 15 95 - 15 - 4.4/735=2, 1083/1.8=2...(6) HG2 ARG 66 - HD3 PRO 14 OK 14 68 - 20 - 2.8/1088=2, 1.8/4821=2...(10) HB3 GLN 79 - HD3 PRO 14 lone 8 97 - 8 - HB2 GLN 79 - HD3 PRO 14 lone 7 87 - 8 - QE MET 31 - HD3 PRO 14 lone 5 100 - 5 - Peak 1090 from cnoeabs.peaks (1.98, 3.62, 50.51 ppm; 3.46 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 2.3=100 HG LEU 43 - HD3 PRO 14 OK 36 100 - 36 - 4.3/4802=7, 1083/1.8=4...(17) HB3 MET 11 - HD3 PRO 14 OK 25 78 - 33 - 1.8/1088=4, 969/3.0=4...(15) HB2 LEU 64 - HD3 PRO 14 OK 15 95 - 15 - 4.4/735=2, 1083/1.8=2...(6) HG2 ARG 66 - HD3 PRO 14 OK 14 68 - 20 - 2.8/1088=2, 1.8/4821=2...(10) HB3 GLN 79 - HD3 PRO 14 lone 8 97 - 8 - HB2 GLN 79 - HD3 PRO 14 lone 7 87 - 8 - QE MET 31 - HD3 PRO 14 lone 5 100 - 5 - Peak 1091 from cnoeabs.peaks (3.79, 3.62, 50.51 ppm; 2.42 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 14 + HD3 PRO 14 OK 100 100 - 100 - 1.8=100 HA LEU 52 - HD3 PRO 14 lone 8 83 - 9 - ~2266=1, 1105/3.0=1...(5) Peak 1092 from cnoeabs.peaks (3.62, 3.62, 50.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 14 + HD3 PRO 14 OK 100 100 - 100 Peak 1093 from cnoeabs.peaks (4.45, 4.45, 63.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 14 + HA PRO 14 OK 100 100 - 100 Peak 1094 from cnoeabs.peaks (2.27, 4.45, 63.04 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 14 + HA PRO 14 OK 100 100 - 100 - 2.3=100 HG2 GLU 25 - HA PRO 14 OK 23 89 - 26 - 1108/2.3=5, 1080/3.6=3...(10) HG3 GLU 25 - HA PRO 14 OK 15 68 - 22 - 1108/2.3=4, 1356/2.3=3...(10) Peak 1095 from cnoeabs.peaks (1.89, 4.45, 63.04 ppm; 3.95 A): 1 out of 11 assignments used, quality = 1.00: * HB3 PRO 14 + HA PRO 14 OK 100 100 - 100 - 2.3=100 HB2 MET 11 - HA PRO 14 OK 39 100 - 40 - 1102/2.3=6, 965/3.8=4...(15) HB2 ARG 66 - HA PRO 14 OK 25 97 - 26 - 1102/2.3=3, 1088/3.6=3...(14) HB ILE 68 - HA PRO 14 OK 19 97 - 19 - 1088/3.6=3, 1102/2.3=3...(11) HB3 ARG 26 - HA PRO 14 OK 12 99 - 12 - 1102/2.3=2, ~1102=1...(4) HG12 ILE 40 - HA PRO 14 OK 12 87 - 14 - 1088/3.6=2, 1102/2.3=2...(7) HB2 ARG 26 - HA PRO 14 OK 12 99 - 12 - 1102/2.3=2, ~1102=1...(4) HB3 PRO 34 - HA PRO 14 OK 11 95 - 12 - 1.8/6058=2, 1102/2.3=1...(4) HB2 GLN 91 - HA PRO 14 lone 3 97 - 3 - HB2 GLU 19 - HA PRO 14 lone 2 76 - 2 - HB3 GLU 87 - HA PRO 14 lone 2 81 - 2 - Peak 1096 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 14 + HA PRO 14 OK 100 100 - 100 - 3.8=100 * HG2 PRO 14 + HA PRO 14 OK 100 100 - 100 - 3.8=100 HB3 MET 11 - HA PRO 14 OK 27 78 - 36 - 1.8/1095=7, 969/2.3=6...(10) HG LEU 43 - HA PRO 14 OK 22 100 - 22 - 2024/4.8=5, 1089/3.6=4...(7) HG2 ARG 66 - HA PRO 14 OK 15 68 - 22 - 2.8/1095=4, ~2708=2...(12) HB3 GLN 79 - HA PRO 14 OK 12 97 - 11 - 1103/2.3=2, 5906/3.6=2...(5) HB2 LEU 64 - HA PRO 14 OK 11 95 - 12 - 5906/3.6=3, 1103/2.3=2...(5) HB2 GLN 79 - HA PRO 14 OK 10 87 - 11 - 1104/2.3=1, ~1104=1...(4) QE MET 31 - HA PRO 14 lone 5 100 - 5 - Peak 1097 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 14 + HA PRO 14 OK 100 100 - 100 - 3.8=100 HG2 PRO 14 + HA PRO 14 OK 100 100 - 100 - 3.8=100 HB3 MET 11 - HA PRO 14 OK 27 78 - 36 - 1.8/1095=7, 969/2.3=6...(10) HG LEU 43 - HA PRO 14 OK 22 100 - 22 - 2024/4.8=5, 1089/3.6=4...(7) HG2 ARG 66 - HA PRO 14 OK 15 68 - 22 - 2.8/1095=4, ~2708=2...(12) HB3 GLN 79 - HA PRO 14 OK 12 97 - 11 - 1103/2.3=2, 5906/3.6=2...(5) HB2 LEU 64 - HA PRO 14 OK 11 95 - 12 - 5906/3.6=3, 1103/2.3=2...(5) HB2 GLN 79 - HA PRO 14 OK 10 87 - 11 - 1104/2.3=1, ~1104=1...(4) QE MET 31 - HA PRO 14 lone 5 100 - 5 - Peak 1100 from cnoeabs.peaks (4.45, 2.27, 31.85 ppm; 3.52 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 2.3=100 HA SER 22 - HB2 PRO 14 OK 35 99 - 36 - 5500=8, 1107/1.8=7...(12) HA TYR 81 - HB2 PRO 14 OK 10 100 - 10 - 5500=3, 1107/1.8=2 HA ASP 67 - HB2 PRO 14 lone 7 78 - 9 - 1107/1.8=2, ~5807=1, ~278=1 HA THR 58 - HB2 PRO 14 lone 2 78 - 2 - Peak 1101 from cnoeabs.peaks (2.27, 2.27, 31.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 14 + HB2 PRO 14 OK 100 100 - 100 Peak 1102 from cnoeabs.peaks (1.89, 2.27, 31.85 ppm; 2.53 A): 1 out of 11 assignments used, quality = 1.00: * HB3 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 1.8=100 HB2 MET 11 - HB2 PRO 14 OK 24 100 - 24 - 965/2.3=3, 965/2.3=3...(11) HB2 ARG 66 - HB2 PRO 14 OK 12 97 - 12 - 1095/2.3=1, 1088/3.0=1 HB ILE 68 - HB2 PRO 14 lone 10 97 - 10 - 4750/3.0=1 HG12 ILE 40 - HB2 PRO 14 lone 8 87 - 9 - 4.0/1106=1 HB3 ARG 26 - HB2 PRO 14 lone 6 99 - 6 - HB2 ARG 26 - HB2 PRO 14 lone 6 99 - 6 - HB3 PRO 34 - HB2 PRO 14 lone 5 95 - 6 - HB2 GLN 91 - HB2 PRO 14 lone 2 97 - 2 - HB2 GLU 19 - HB2 PRO 14 lone 1 76 - 1 - HB3 GLU 87 - HB2 PRO 14 lone 1 81 - 1 - Peak 1103 from cnoeabs.peaks (1.98, 2.27, 31.85 ppm; 3.54 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 2.3=100 * HG2 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 2.3=100 HB3 MET 11 - HB2 PRO 14 OK 30 78 - 38 - 1.8/1102=6, 969/1.8=5...(17) HG LEU 43 - HB2 PRO 14 OK 28 100 - 28 - 1090/3.0=3, 1082/3.0=3...(15) HG2 ARG 66 - HB2 PRO 14 OK 15 68 - 22 - 2.8/1102=3, 1110/1.8=2...(12) HB2 LEU 64 - HB2 PRO 14 OK 13 95 - 14 - 5906/4.0=1, 1111/1.8=1...(5) HB3 GLN 79 - HB2 PRO 14 OK 10 97 - 10 - 1110/1.8=1 HB2 GLN 79 - HB2 PRO 14 poor 9 87 - 10 - QE MET 31 - HB2 PRO 14 lone 3 100 - 3 - Peak 1104 from cnoeabs.peaks (1.98, 2.27, 31.85 ppm; 3.54 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 2.3=100 HB3 MET 11 - HB2 PRO 14 OK 30 78 - 38 - 1.8/1102=6, 969/1.8=5...(17) HG LEU 43 - HB2 PRO 14 OK 28 100 - 28 - 1090/3.0=3, 1082/3.0=3...(15) HG2 ARG 66 - HB2 PRO 14 OK 15 68 - 22 - 2.8/1102=3, 1110/1.8=2...(12) HB2 LEU 64 - HB2 PRO 14 OK 13 95 - 14 - 5906/4.0=1, 1111/1.8=1...(5) HB3 GLN 79 - HB2 PRO 14 OK 10 97 - 10 - 1110/1.8=1 HB2 GLN 79 - HB2 PRO 14 poor 9 87 - 10 - QE MET 31 - HB2 PRO 14 lone 3 100 - 3 - Peak 1105 from cnoeabs.peaks (3.79, 2.27, 31.85 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 3.0=100 HA LEU 52 - HB2 PRO 14 OK 20 83 - 24 - 1112/1.8=7, ~2266=4...(7) Peak 1106 from cnoeabs.peaks (3.62, 2.27, 31.85 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 14 + HB2 PRO 14 OK 100 100 - 100 - 3.0=100 HA ILE 40 - HB2 PRO 14 OK 32 90 - 35 - 1113/1.8=8, 5125/2.3=6...(12) HA ARG 69 - HB2 PRO 14 OK 28 96 - 29 - 1113/1.8=6, 1085/3.0=4...(11) HA VAL 65 - HB2 PRO 14 OK 26 93 - 27 - 1113/1.8=7, 1085/3.0=3...(12) Peak 1107 from cnoeabs.peaks (4.45, 1.89, 31.85 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 2.3=100 HA SER 22 - HB3 PRO 14 OK 37 99 - 37 - 5500/1.8=11, ~5498=6...(11) HA TYR 81 - HB3 PRO 14 OK 11 100 - 11 - 5500/1.8=3, ~5452=1...(5) HA ASP 67 - HB3 PRO 14 OK 10 78 - 13 - 3.0/278=2, 1100/1.8=2...(5) HA THR 58 - HB3 PRO 14 lone 2 78 - 3 - Peak 1108 from cnoeabs.peaks (2.27, 1.89, 31.85 ppm; 2.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 1.8=100 HG2 GLU 25 - HB3 PRO 14 OK 17 89 - 19 - 1094/2.3=3, 1351/1.8=3...(9) HG3 GLU 25 - HB3 PRO 14 OK 12 68 - 17 - 1356/1.8=2, 1094/2.3=2...(8) Peak 1109 from cnoeabs.peaks (1.89, 1.89, 31.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 14 + HB3 PRO 14 OK 100 100 - 100 Peak 1110 from cnoeabs.peaks (1.98, 1.89, 31.85 ppm; 2.82 A): 2 out of 9 assignments used, quality = 1.00: HG3 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 2.3=100 * HG2 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 2.3=100 HB3 MET 11 - HB3 PRO 14 OK 22 78 - 29 - 969=5, 3.0/974=3...(15) HG LEU 43 - HB3 PRO 14 OK 17 100 - 18 - 1089/3.0=2, 1104/1.8=2...(9) HG2 ARG 66 - HB3 PRO 14 OK 11 68 - 15 - 1.8/2708=1, 1103/1.8=1 HB2 LEU 64 - HB3 PRO 14 lone 8 95 - 9 - HB3 GLN 79 - HB3 PRO 14 lone 6 97 - 6 - HB2 GLN 79 - HB3 PRO 14 lone 6 87 - 6 - QE MET 31 - HB3 PRO 14 lone 2 100 - 2 - Peak 1111 from cnoeabs.peaks (1.98, 1.89, 31.85 ppm; 2.82 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 2.3=100 HB3 MET 11 - HB3 PRO 14 OK 22 78 - 29 - 969=5, 3.0/974=3...(15) HG LEU 43 - HB3 PRO 14 OK 17 100 - 18 - 1089/3.0=2, 1104/1.8=2...(9) HG2 ARG 66 - HB3 PRO 14 OK 11 68 - 15 - 1.8/2708=1, 1103/1.8=1 HB2 LEU 64 - HB3 PRO 14 lone 8 95 - 9 - HB3 GLN 79 - HB3 PRO 14 lone 6 97 - 6 - HB2 GLN 79 - HB3 PRO 14 lone 6 87 - 6 - QE MET 31 - HB3 PRO 14 lone 2 100 - 2 - Peak 1112 from cnoeabs.peaks (3.79, 1.89, 31.85 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 3.0=100 HA LEU 52 - HB3 PRO 14 OK 22 83 - 26 - 1105/1.8=7, ~2266=4...(7) Peak 1113 from cnoeabs.peaks (3.62, 1.89, 31.85 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 14 + HB3 PRO 14 OK 100 100 - 100 - 3.0=100 HA ILE 40 - HB3 PRO 14 OK 30 90 - 33 - 1106/1.8=5, 5125/2.3=5...(14) HA VAL 65 - HB3 PRO 14 OK 26 93 - 28 - 1106/1.8=4, 4704=4...(13) HA ARG 69 - HB3 PRO 14 OK 24 96 - 25 - 1106/1.8=5, 1085/3.0=3...(11) Peak 1114 from cnoeabs.peaks (4.45, 1.98, 27.14 ppm; 5.01 A): 2 out of 15 assignments used, quality = 1.00: HA PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 3.8=100 * HA PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 3.8=100 HA SER 22 - HG3 PRO 14 OK 39 99 - 39 - 5500/2.3=15, 1107/2.3=11...(5) HA SER 22 - HG2 PRO 14 OK 39 99 - 39 - 5500/2.3=15, 1107/2.3=11...(5) HA PRO 14 - HG LEU 43 OK 16 63 - 25 - 3.6/1090=5, 3.6/1083=5...(7) HA ASP 67 - HG LEU 43 OK 12 42 - 28 - ~4744=4, ~4741=4...(10) HA ASP 67 - HG2 PRO 14 OK 12 78 - 15 - ~5807=3, 1107/2.3=3...(6) HA ASP 67 - HG3 PRO 14 OK 12 78 - 15 - ~5807=3, 1107/2.3=3...(6) HA TYR 81 - HG3 PRO 14 lone 10 100 - 10 - 5500/2.3=5, 1107/2.3=3 HA TYR 81 - HG2 PRO 14 lone 10 100 - 10 - 5500/2.3=5, 1107/2.3=3 HA TYR 81 - HG LEU 43 lone 6 61 - 10 - ~4909=5, 5.7/4681=3 HA THR 58 - HG2 PRO 14 lone 4 78 - 4 - HA THR 58 - HG3 PRO 14 lone 4 78 - 4 - HA SER 22 - HG LEU 43 lone 3 60 - 4 - HA THR 58 - HG LEU 43 lone 2 42 - 4 - 3.0/5752=1 Peak 1115 from cnoeabs.peaks (2.27, 1.98, 27.14 ppm; 4.00 A): 2 out of 9 assignments used, quality = 1.00: HB2 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 * HB2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 GLU 25 - HG3 PRO 14 OK 32 89 - 36 - 1080/2.3=6, 1108/2.3=6...(9) HG2 GLU 25 - HG2 PRO 14 OK 32 89 - 36 - 1080/2.3=6, 1108/2.3=6...(9) HG3 GLU 25 - HG2 PRO 14 OK 23 68 - 34 - 1080/2.3=5, ~1080=5...(9) HG3 GLU 25 - HG3 PRO 14 OK 23 68 - 34 - 1080/2.3=5, ~1080=5...(9) HB2 PRO 14 - HG LEU 43 OK 22 63 - 35 - 1103=4, 3.0/1089=4...(15) HG2 GLU 25 - HG LEU 43 lone 1 50 - 3 - HG3 GLU 25 - HG LEU 43 lone 1 35 - 2 - Peak 1116 from cnoeabs.peaks (1.89, 1.98, 27.14 ppm; 3.18 A): 2 out of 33 assignments used, quality = 1.00: HB3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 * HB3 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HB2 MET 11 - HG2 PRO 14 OK 42 100 - 43 - 965/1.8=6, 965=6...(21) HB2 MET 11 - HG3 PRO 14 OK 42 100 - 43 - 965/1.8=6, 965=6...(21) HB2 ARG 66 - HG3 PRO 14 OK 23 97 - 24 - 1102/2.3=2, 1088/2.3=2...(7) HB2 ARG 66 - HG2 PRO 14 OK 23 97 - 24 - 1102/2.3=2, 1088/2.3=2...(7) HB ILE 68 - HG3 PRO 14 OK 19 97 - 20 - 3.2/5252=3, 4750/2.3=3...(9) HB ILE 68 - HG2 PRO 14 OK 19 97 - 20 - 3.2/5252=3, 4750/2.3=3...(9) HB3 PRO 14 - HG LEU 43 OK 15 63 - 24 - 1111=3, 1.8/1104=3...(12) HG12 ILE 40 - HG3 PRO 14 OK 14 87 - 16 - 4.0/5125=2, 1088/2.3=2...(7) HG12 ILE 40 - HG2 PRO 14 OK 14 87 - 16 - 4.0/5125=2, 1088/2.3=2...(7) HG12 ILE 40 - HG LEU 43 OK 10 48 - 21 - 4.0/5125=4, 1946/2.1=2...(13) HB3 ARG 26 - HG3 PRO 14 lone 10 99 - 9 - 1102/2.3=1 HB3 ARG 26 - HG2 PRO 14 lone 10 99 - 9 - 1102/2.3=1 HB2 ARG 26 - HG2 PRO 14 lone 9 99 - 9 - 1102/2.3=1 HB2 ARG 26 - HG3 PRO 14 lone 9 99 - 9 - 1102/2.3=1 HB3 PRO 34 - HG3 PRO 14 lone 8 95 - 9 - 1102/2.3=1, 1088/2.3=1 HB3 PRO 34 - HG2 PRO 14 lone 8 95 - 9 - 1102/2.3=1, 1088/2.3=1 HB ILE 68 - HG LEU 43 poor 8 58 - 14 - 3.2/5252=2, 2752/2.1=2 HB2 ARG 66 - HG LEU 43 lone 4 57 - 7 - HB3 ARG 26 - HG LEU 43 lone 2 61 - 4 - HB2 ARG 26 - HG LEU 43 lone 2 60 - 4 - HB2 GLN 91 - HG3 PRO 14 lone 2 97 - 2 - HB2 GLN 91 - HG2 PRO 14 lone 2 97 - 2 - HB2 MET 11 - HG LEU 43 lone 1 62 - 2 - HB2 GLU 19 - HG3 PRO 14 lone 1 76 - 1 - HB2 GLU 19 - HG2 PRO 14 lone 1 76 - 1 - HB3 GLU 87 - HG3 PRO 14 lone 1 81 - 1 - HB3 GLU 87 - HG2 PRO 14 lone 1 81 - 1 - HB3 PRO 34 - HG LEU 43 lone 1 55 - 1 - HB2 GLU 19 - HG LEU 43 lone 0 40 - 1 - HB2 GLN 91 - HG LEU 43 lone 0 58 - 0 - HB3 GLU 87 - HG LEU 43 lone 0 44 - 1 - Peak 1117 from cnoeabs.peaks (1.98, 1.98, 27.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 * HG2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 62 62 - 100 Peak 1118 from cnoeabs.peaks (1.98, 1.98, 27.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 HG2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 62 62 - 100 Reference assignment not found: HG3 PRO 14 - HG2 PRO 14 Peak 1119 from cnoeabs.peaks (3.79, 1.98, 27.14 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: HD2 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 * HD2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HD2 PRO 14 - HG LEU 43 OK 21 63 - 34 - 4801/4.3=7, 1082=5...(14) HA LEU 52 - HG3 PRO 14 OK 16 83 - 19 - 1105/2.3=4, 1112/2.3=4...(7) HA LEU 52 - HG2 PRO 14 OK 16 83 - 19 - 1105/2.3=4, 1112/2.3=4...(7) HA LEU 52 - HG LEU 43 lone 2 45 - 4 - 5141/5.3=1 Peak 1120 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: HD3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 * HD3 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HA ILE 40 - HG2 PRO 14 OK 24 90 - 27 - 1113/2.3=4, 5125=4...(8) HA ILE 40 - HG3 PRO 14 OK 24 90 - 27 - 1113/2.3=4, 5125=4...(8) HD3 PRO 14 - HG LEU 43 OK 24 63 - 38 - 4802/4.3=7, 1089=6...(17) HA ILE 40 - HG LEU 43 OK 23 51 - 44 - 5125=7, 4296/2.1=5...(17) HA VAL 65 - HG3 PRO 14 OK 21 93 - 22 - 1113/2.3=4, 1106/2.3=3...(8) HA VAL 65 - HG2 PRO 14 OK 21 93 - 22 - 1113/2.3=4, 1106/2.3=3...(8) HA ARG 69 - HG2 PRO 14 OK 18 96 - 19 - 1113/2.3=4, 1085/2.3=3...(8) HA ARG 69 - HG3 PRO 14 OK 18 96 - 19 - 1113/2.3=4, 1085/2.3=3...(8) HA VAL 65 - HG LEU 43 OK 15 54 - 28 - 3.0/266=4, ~269=3...(11) HA ARG 69 - HG LEU 43 lone 4 56 - 8 - 4767/2.1=1 Peak 1121 from cnoeabs.peaks (4.45, 1.98, 27.14 ppm; 5.01 A): 2 out of 15 assignments used, quality = 1.00: * HA PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 3.8=100 HA PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 3.8=100 HA SER 22 - HG3 PRO 14 OK 39 99 - 39 - 5500/2.3=15, 1107/2.3=11...(5) HA SER 22 - HG2 PRO 14 OK 39 99 - 39 - 5500/2.3=15, 1107/2.3=11...(5) HA PRO 14 - HG LEU 43 OK 16 63 - 25 - 3.6/1090=5, 3.6/1083=5...(7) HA ASP 67 - HG LEU 43 OK 12 42 - 28 - ~4744=4, ~4741=4...(10) HA ASP 67 - HG2 PRO 14 OK 12 78 - 15 - ~5807=3, 1107/2.3=3...(6) HA ASP 67 - HG3 PRO 14 OK 12 78 - 15 - ~5807=3, 1107/2.3=3...(6) HA TYR 81 - HG3 PRO 14 lone 10 100 - 10 - 5500/2.3=5, 1107/2.3=3 HA TYR 81 - HG2 PRO 14 lone 10 100 - 10 - 5500/2.3=5, 1107/2.3=3 HA TYR 81 - HG LEU 43 lone 6 61 - 10 - ~4909=5, 5.7/4681=3 HA THR 58 - HG2 PRO 14 lone 4 78 - 4 - HA THR 58 - HG3 PRO 14 lone 4 78 - 4 - HA SER 22 - HG LEU 43 lone 3 60 - 4 - HA THR 58 - HG LEU 43 lone 2 42 - 4 - 3.0/5752=1 Peak 1122 from cnoeabs.peaks (2.27, 1.98, 27.14 ppm; 4.00 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 HB2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HG2 GLU 25 - HG3 PRO 14 OK 32 89 - 36 - 1080/2.3=6, 1108/2.3=6...(9) HG2 GLU 25 - HG2 PRO 14 OK 32 89 - 36 - 1080/2.3=6, 1108/2.3=6...(9) HG3 GLU 25 - HG2 PRO 14 OK 23 68 - 34 - 1080/2.3=5, ~1080=5...(9) HG3 GLU 25 - HG3 PRO 14 OK 23 68 - 34 - 1080/2.3=5, ~1080=5...(9) HB2 PRO 14 - HG LEU 43 OK 22 63 - 35 - 1103=4, 3.0/1089=4...(15) HG2 GLU 25 - HG LEU 43 lone 1 50 - 3 - HG3 GLU 25 - HG LEU 43 lone 1 35 - 2 - Peak 1123 from cnoeabs.peaks (1.89, 1.98, 27.14 ppm; 3.18 A): 2 out of 33 assignments used, quality = 1.00: * HB3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 HB3 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HB2 MET 11 - HG2 PRO 14 OK 42 100 - 43 - 965/1.8=6, 965=6...(21) HB2 MET 11 - HG3 PRO 14 OK 42 100 - 43 - 965/1.8=6, 965=6...(21) HB2 ARG 66 - HG3 PRO 14 OK 23 97 - 24 - 1102/2.3=2, 1088/2.3=2...(7) HB2 ARG 66 - HG2 PRO 14 OK 23 97 - 24 - 1102/2.3=2, 1088/2.3=2...(7) HB ILE 68 - HG3 PRO 14 OK 19 97 - 20 - 3.2/5252=3, 4750/2.3=3...(9) HB ILE 68 - HG2 PRO 14 OK 19 97 - 20 - 3.2/5252=3, 4750/2.3=3...(9) HB3 PRO 14 - HG LEU 43 OK 15 63 - 24 - 1111=3, 1.8/1104=3...(12) HG12 ILE 40 - HG3 PRO 14 OK 14 87 - 16 - 4.0/5125=2, 1088/2.3=2...(7) HG12 ILE 40 - HG2 PRO 14 OK 14 87 - 16 - 4.0/5125=2, 1088/2.3=2...(7) HG12 ILE 40 - HG LEU 43 OK 10 48 - 21 - 4.0/5125=4, 1946/2.1=2...(13) HB3 ARG 26 - HG3 PRO 14 lone 10 99 - 9 - 1102/2.3=1 HB3 ARG 26 - HG2 PRO 14 lone 10 99 - 9 - 1102/2.3=1 HB2 ARG 26 - HG2 PRO 14 lone 9 99 - 9 - 1102/2.3=1 HB2 ARG 26 - HG3 PRO 14 lone 9 99 - 9 - 1102/2.3=1 HB3 PRO 34 - HG3 PRO 14 lone 8 95 - 9 - 1102/2.3=1, 1088/2.3=1 HB3 PRO 34 - HG2 PRO 14 lone 8 95 - 9 - 1102/2.3=1, 1088/2.3=1 HB ILE 68 - HG LEU 43 poor 8 58 - 14 - 3.2/5252=2, 2752/2.1=2 HB2 ARG 66 - HG LEU 43 lone 4 57 - 7 - HB3 ARG 26 - HG LEU 43 lone 2 61 - 4 - HB2 ARG 26 - HG LEU 43 lone 2 60 - 4 - HB2 GLN 91 - HG3 PRO 14 lone 2 97 - 2 - HB2 GLN 91 - HG2 PRO 14 lone 2 97 - 2 - HB2 MET 11 - HG LEU 43 lone 1 62 - 2 - HB2 GLU 19 - HG3 PRO 14 lone 1 76 - 1 - HB2 GLU 19 - HG2 PRO 14 lone 1 76 - 1 - HB3 GLU 87 - HG3 PRO 14 lone 1 81 - 1 - HB3 GLU 87 - HG2 PRO 14 lone 1 81 - 1 - HB3 PRO 34 - HG LEU 43 lone 1 55 - 1 - HB2 GLU 19 - HG LEU 43 lone 0 40 - 1 - HB2 GLN 91 - HG LEU 43 lone 0 58 - 0 - HB3 GLU 87 - HG LEU 43 lone 0 44 - 1 - Peak 1124 from cnoeabs.peaks (1.98, 1.98, 27.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 HG2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 62 62 - 100 Reference assignment not found: HG2 PRO 14 - HG3 PRO 14 Peak 1125 from cnoeabs.peaks (1.98, 1.98, 27.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 HG2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 HG LEU 43 + HG LEU 43 OK 62 62 - 100 Peak 1126 from cnoeabs.peaks (3.79, 1.98, 27.14 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 HD2 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HD2 PRO 14 - HG LEU 43 OK 21 63 - 34 - 4801/4.3=7, 1082=5...(14) HA LEU 52 - HG3 PRO 14 OK 16 83 - 19 - 1105/2.3=4, 1112/2.3=4...(7) HA LEU 52 - HG2 PRO 14 OK 16 83 - 19 - 1105/2.3=4, 1112/2.3=4...(7) HA LEU 52 - HG LEU 43 lone 2 45 - 4 - 5141/5.3=1 Peak 1127 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 14 + HG3 PRO 14 OK 100 100 - 100 - 2.3=100 HD3 PRO 14 + HG2 PRO 14 OK 100 100 - 100 - 2.3=100 HA ILE 40 - HG2 PRO 14 OK 24 90 - 27 - 1113/2.3=4, 5125=4...(8) HA ILE 40 - HG3 PRO 14 OK 24 90 - 27 - 1113/2.3=4, 5125=4...(8) HD3 PRO 14 - HG LEU 43 OK 24 63 - 38 - 4802/4.3=7, 1089=6...(17) HA ILE 40 - HG LEU 43 OK 23 51 - 44 - 5125=7, 4296/2.1=5...(17) HA VAL 65 - HG3 PRO 14 OK 21 93 - 22 - 1113/2.3=4, 1106/2.3=3...(8) HA VAL 65 - HG2 PRO 14 OK 21 93 - 22 - 1113/2.3=4, 1106/2.3=3...(8) HA ARG 69 - HG2 PRO 14 OK 18 96 - 19 - 1113/2.3=4, 1085/2.3=3...(8) HA ARG 69 - HG3 PRO 14 OK 18 96 - 19 - 1113/2.3=4, 1085/2.3=3...(8) HA VAL 65 - HG LEU 43 OK 15 54 - 28 - 3.0/266=4, ~269=3...(11) HA ARG 69 - HG LEU 43 lone 4 56 - 8 - 4767/2.1=1 Peak 1128 from cnoeabs.peaks (8.20, 4.25, 61.70 ppm; 4.83 A): 1 out of 8 assignments used, quality = 1.00: * H THR 15 + HA THR 15 OK 100 100 - 100 - 3.0=100 H GLU 25 - HA THR 15 OK 24 100 - 24 - 523/4.9=4, 50/3.6=4...(8) H ARG 84 - HA THR 15 OK 19 100 - 19 - 1132/3.0=4, 1136/3.2=3...(7) H SER 22 - HA THR 15 OK 16 99 - 16 - 5092/4.9=4, ~10=4...(6) H ALA 28 - HA THR 15 OK 15 98 - 15 - 1136/3.2=3, 1132/3.0=3...(5) H ALA 77 - HA THR 15 poor 8 78 - 10 - 1132/3.0=1, 1136/3.2=1 H GLN 79 - HA THR 15 lone 5 96 - 5 - H ARG 27 - HA THR 15 lone 4 68 - 6 - 4.6/367=1 Peak 1129 from cnoeabs.peaks (4.25, 4.25, 61.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 15 + HA THR 15 OK 100 100 - 100 Peak 1130 from cnoeabs.peaks (4.17, 4.25, 61.70 ppm; 3.29 A): 1 out of 8 assignments used, quality = 1.00: * HB THR 15 + HA THR 15 OK 100 100 - 100 - 3.0=100 HA ARG 84 - HA THR 15 lone 7 89 - 8 - 1138/3.2=1, 3.0/1128=1 HA LEU 29 - HA THR 15 lone 5 99 - 5 - 478/3.0=1, 1138/3.2=1 HA ALA 53 - HA THR 15 lone 4 100 - 3 - HA ARG 82 - HA THR 15 lone 3 98 - 3 - HA LYS 73 - HA THR 15 lone 3 98 - 3 - HA ILE 89 - HA THR 15 lone 3 100 - 3 - HA ASN 49 - HA THR 15 lone 1 60 - 2 - Peak 1131 from cnoeabs.peaks (1.19, 4.25, 61.70 ppm; 3.38 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 15 + HA THR 15 OK 100 100 - 100 - 3.2=100 QG2 THR 37 - HA THR 15 OK 14 83 - 17 - 479/3.0=3, 1818=3...(6) HG LEU 52 - HA THR 15 lone 9 100 - 8 - 1135/3.0=2, 479/3.0=1, 20/3.6=1 QG2 VAL 65 - HA THR 15 lone 4 81 - 4 - HG13 ILE 33 - HA THR 15 lone 1 63 - 2 - Peak 1132 from cnoeabs.peaks (8.20, 4.17, 69.96 ppm; 4.76 A): 1 out of 8 assignments used, quality = 1.00: * H THR 15 + HB THR 15 OK 100 100 - 100 - 4.0=100 H ARG 84 - HB THR 15 OK 18 100 - 18 - 1136/2.1=3, 1128/3.0=3...(8) H GLU 25 - HB THR 15 OK 16 100 - 16 - 1136/2.1=4, 1128/3.0=4...(5) H ALA 28 - HB THR 15 OK 12 98 - 12 - 1136/2.1=3, 1128/3.0=3...(4) H ALA 77 - HB THR 15 lone 6 78 - 8 - 1128/3.0=1, 3.0/1133=1 H SER 22 - HB THR 15 lone 5 99 - 5 - 1128/3.0=3, 1136/2.1=1 H GLN 79 - HB THR 15 lone 3 96 - 3 - H ARG 27 - HB THR 15 lone 3 68 - 4 - Peak 1133 from cnoeabs.peaks (4.25, 4.17, 69.96 ppm; 3.48 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 15 + HB THR 15 OK 100 100 - 100 - 3.0=100 HA LYS 83 - HB THR 15 lone 8 100 - 8 - 1137/2.1=2, 3.6/1132=2 HB THR 37 - HB THR 15 poor 8 76 - 11 - 2.1/1135=3, 1137/2.1=2...(5) HA LEU 64 - HB THR 15 lone 7 93 - 7 - 1137/2.1=2, 477/4.0=1, 18/4.4=1 HA ALA 77 - HB THR 15 lone 4 95 - 5 - 1137/2.1=1 HA LYS 85 - HB THR 15 lone 4 89 - 4 - HA LYS 75 - HB THR 15 lone 4 100 - 3 - HA LYS 39 - HB THR 15 lone 3 100 - 3 - HA GLU 19 - HB THR 15 lone 3 97 - 3 - HA ALA 12 - HB THR 15 lone 3 96 - 3 - HA ALA 20 - HB THR 15 lone 3 92 - 3 - Peak 1134 from cnoeabs.peaks (4.17, 4.17, 69.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 15 + HB THR 15 OK 100 100 - 100 Peak 1135 from cnoeabs.peaks (1.19, 4.17, 69.96 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 15 + HB THR 15 OK 100 100 - 100 - 2.1=100 QG2 THR 37 - HB THR 15 lone 8 83 - 10 - 1131/3.0=3, 479/4.0=2...(5) HG LEU 52 - HB THR 15 lone 8 100 - 8 - 1131/3.0=2 QG2 VAL 65 - HB THR 15 lone 2 81 - 3 - HG13 ILE 33 - HB THR 15 lone 1 63 - 2 - Peak 1136 from cnoeabs.peaks (8.20, 1.19, 21.44 ppm; 4.92 A): 1 out of 8 assignments used, quality = 1.00: * H THR 15 + QG2 THR 15 OK 100 100 - 100 - 3.9=100 H GLU 25 - QG2 THR 15 OK 20 100 - 20 - 1128/3.2=4, 1132/2.1=4...(7) H ARG 84 - QG2 THR 15 OK 15 100 - 15 - 1132/2.1=4, 1128/3.2=3...(5) H ALA 28 - QG2 THR 15 OK 14 98 - 14 - 2.9/5532=4, 1132/2.1=3...(4) H SER 22 - QG2 THR 15 lone 6 99 - 6 - 1128/3.2=3, 1132/2.1=1 H ALA 77 - QG2 THR 15 lone 6 78 - 7 - 1132/2.1=2, 3.0/1137=1 H ARG 27 - QG2 THR 15 lone 3 68 - 5 - H GLN 79 - QG2 THR 15 lone 3 96 - 3 - Peak 1137 from cnoeabs.peaks (4.25, 1.19, 21.44 ppm; 3.77 A): 1 out of 11 assignments used, quality = 1.00: * HA THR 15 + QG2 THR 15 OK 100 100 - 100 - 3.2=100 HB THR 37 - QG2 THR 15 OK 12 76 - 15 - 1133/2.1=2, 1815=2...(8) HA LYS 83 - QG2 THR 15 lone 10 100 - 10 - 1133/2.1=2, 3.6/1136=2...(4) HA LEU 64 - QG2 THR 15 lone 9 93 - 9 - 1133/2.1=2, 477/3.9=2, 18/4.2=1 HA ALA 77 - QG2 THR 15 lone 5 95 - 5 - 1133/2.1=1 HA LYS 85 - QG2 THR 15 lone 4 89 - 4 - 1133/2.1=1 HA LYS 75 - QG2 THR 15 lone 3 100 - 3 - HA GLU 19 - QG2 THR 15 lone 3 97 - 3 - HA ALA 20 - QG2 THR 15 lone 3 92 - 3 - 18/4.2=1 HA LYS 39 - QG2 THR 15 lone 3 100 - 3 - HA ALA 12 - QG2 THR 15 lone 3 96 - 3 - Peak 1138 from cnoeabs.peaks (4.17, 1.19, 21.44 ppm; 3.41 A): 1 out of 8 assignments used, quality = 1.00: * HB THR 15 + QG2 THR 15 OK 100 100 - 100 - 2.1=100 HA ARG 84 - QG2 THR 15 lone 8 89 - 9 - 1130/3.2=2, 3.0/1136=1...(4) HA LEU 29 - QG2 THR 15 lone 7 99 - 7 - 4.9/5532=1, 478/3.9=1 HA ALA 53 - QG2 THR 15 lone 5 100 - 5 - 3.0/204=1 HA LYS 73 - QG2 THR 15 lone 3 98 - 3 - HA ILE 89 - QG2 THR 15 lone 3 100 - 3 - HA ARG 82 - QG2 THR 15 lone 3 98 - 3 - HA ASN 49 - QG2 THR 15 lone 2 60 - 4 - Peak 1139 from cnoeabs.peaks (1.19, 1.19, 21.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 15 + QG2 THR 15 OK 100 100 - 100 Peak 1140 from cnoeabs.peaks (8.36, 4.31, 52.27 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 16 + HA ALA 16 OK 100 100 - 100 - 2.9=100 H ARG 17 + HA ALA 16 OK 76 76 - 100 - 3.6=100 H ASP 24 - HA ALA 16 lone 2 90 - 2 - H VAL 65 - HA ALA 16 lone 1 60 - 1 - Peak 1141 from cnoeabs.peaks (4.31, 4.31, 52.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 16 + HA ALA 16 OK 100 100 - 100 Peak 1142 from cnoeabs.peaks (1.36, 4.31, 52.27 ppm; 3.21 A): 1 out of 11 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 - 100 - 2.1=100 QB ALA 20 - HA ALA 16 lone 6 87 - 7 - 1144=2, 23/3.6=1, 482/2.9=1 QB ALA 77 - HA ALA 16 lone 4 90 - 4 - 1144=1 QB ALA 12 - HA ALA 16 lone 3 65 - 4 - 1144=1 QB ALA 28 - HA ALA 16 lone 2 81 - 3 - HB2 LEU 52 - HA ALA 16 lone 2 73 - 3 - HG2 LYS 85 - HA ALA 16 lone 1 87 - 2 - HG2 LYS 83 - HA ALA 16 lone 1 98 - 1 - HG3 ARG 69 - HA ALA 16 lone 1 89 - 1 - QB ALA 78 - HA ALA 16 lone 1 63 - 1 - HG3 LYS 73 - HA ALA 16 lone 1 63 - 1 - Peak 1143 from cnoeabs.peaks (8.36, 1.36, 19.09 ppm; 4.33 A): 2 out of 16 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 - 100 - 2.9=100 H ARG 17 + QB ALA 16 OK 76 76 - 100 - 3.6=100 H ALA 16 - QB ALA 20 poor 7 55 - 13 - 482=3, 18/2.1=2...(4) H ALA 16 - QB ALA 77 lone 6 63 - 9 - 482=2, 18/2.1=2, 2.9/1142=1 H ASP 24 - QB ALA 16 lone 5 90 - 6 - 4.6/5511=2, 3713/5.0=1, ~5385=1 H ALA 16 - QB ALA 12 lone 5 65 - 8 - 482=1, 18/2.1=1 H ARG 17 - QB ALA 20 poor 5 35 - 13 - 23=4, 484/2.1=2...(5) H VAL 65 - QB ALA 16 lone 2 60 - 4 - H ARG 17 - QB ALA 77 lone 2 41 - 5 - 23=1, 3.6/1142=1, 4.6/482=1 H VAL 65 - QB ALA 20 lone 2 26 - 8 - 265/2.1=2, ~5313=2...(4) H ARG 17 - QB ALA 12 lone 2 42 - 5 - H ASP 24 - QB ALA 77 lone 1 51 - 2 - H ASP 24 - QB ALA 20 lone 1 44 - 2 - H ASP 24 - QB ALA 12 lone 1 53 - 2 - H VAL 65 - QB ALA 12 lone 1 32 - 2 - H VAL 65 - QB ALA 77 lone 1 31 - 2 - Peak 1144 from cnoeabs.peaks (4.31, 1.36, 19.09 ppm; 3.31 A): 1 out of 20 assignments used, quality = 1.00: * HA ALA 16 + QB ALA 16 OK 100 100 - 100 - 2.1=100 HA GLU 87 - QB ALA 20 poor 6 53 - 12 - 3555/2.9=2, ~29=1, ~28=1...(7) HA LEU 86 - QB ALA 16 lone 5 99 - 5 - 22/3.6=2, 481/2.9=1 HA ALA 16 - QB ALA 20 lone 4 55 - 8 - 1142=2, 3.6/23=1, 2.9/482=1 HA PRO 34 - QB ALA 16 lone 3 99 - 3 - HA ALA 16 - QB ALA 77 lone 3 63 - 5 - 1142=2 HA ALA 16 - QB ALA 12 lone 3 65 - 5 - 1142=1 HA GLU 87 - QB ALA 16 lone 3 99 - 3 - HA LEU 86 - QB ALA 12 lone 2 62 - 3 - HA THR 88 - QB ALA 16 lone 1 57 - 2 - HA LEU 86 - QB ALA 20 lone 1 52 - 2 - HA GLU 87 - QB ALA 77 lone 1 61 - 1 - HA GLU 87 - QB ALA 12 lone 1 64 - 1 - HA LEU 86 - QB ALA 77 lone 1 60 - 1 - HA THR 88 - QB ALA 20 lone 1 25 - 3 - HA PRO 34 - QB ALA 12 lone 0 64 - 1 - HA PRO 34 - QB ALA 77 lone 0 61 - 1 - HA PRO 34 - QB ALA 20 lone 0 53 - 1 - HA THR 88 - QB ALA 77 lone 0 29 - 1 - HA THR 88 - QB ALA 12 lone 0 31 - 1 - Peak 1145 from cnoeabs.peaks (1.36, 1.36, 19.09 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * QB ALA 16 + QB ALA 16 OK 100 100 - 100 QB ALA 77 + QB ALA 77 OK 51 51 - 100 QB ALA 20 - QB ALA 20 OK 42 42 - 100 QB ALA 12 - QB ALA 12 OK 36 36 - 100 Peak 1146 from cnoeabs.peaks (8.38, 4.28, 56.26 ppm; 4.04 A): 2 out of 10 assignments used, quality = 1.00: * H ARG 17 + HA ARG 17 OK 100 100 - 100 - 3.0=100 H GLY 18 + HA ARG 17 OK 73 73 - 100 - 3.6=100 H ALA 16 - HA ARG 17 OK 18 76 - 24 - ~22=13, 2.9/5486=9...(4) H GLY 21 - HA GLU 19 OK 14 76 - 18 - 4.5/498=8, 33=4, 3.6/1240=3 H VAL 65 - HA ARG 17 OK 13 99 - 13 - 265=2, 4.4/2627=2...(5) H GLY 18 - HA GLU 19 OK 12 52 - 22 - ~24=7, ~25=7, 4822=4...(5) H ARG 17 - HA GLU 19 poor 9 80 - 11 - 484=2, 4.7/4822=2, 23/4.5=2 H GLY 21 - HA ARG 17 lone 8 98 - 8 - 33=2, 3.6/5486=1 H VAL 65 - HA GLU 19 lone 5 78 - 6 - 265=1 H ALA 16 - HA GLU 19 lone 3 54 - 5 - Peak 1147 from cnoeabs.peaks (4.28, 4.28, 56.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 17 + HA ARG 17 OK 100 100 - 100 HA GLU 19 + HA GLU 19 OK 58 58 - 100 Peak 1148 from cnoeabs.peaks (1.84, 4.28, 56.26 ppm; 3.46 A): 1 out of 22 assignments used, quality = 1.00: * HB2 ARG 17 + HA ARG 17 OK 100 100 - 100 - 3.0=100 HB2 ARG 71 - HA ARG 17 OK 31 95 - 33 - 2.8/1149=4, 1155=4...(11) HB3 ARG 71 - HA ARG 17 OK 30 93 - 33 - 2.8/1149=4, 1155=4...(11) HB2 ARG 27 - HA ARG 17 OK 14 95 - 15 - 2.9/1151=1, 2.9/1151=1...(6) HB3 ARG 27 - HA ARG 17 OK 14 93 - 15 - 2.9/1151=1, 2.9/1151=1...(6) HB2 ARG 23 - HA ARG 17 lone 8 99 - 7 - HB3 ARG 23 - HA ARG 17 lone 7 99 - 7 - HB2 ARG 17 - HA GLU 19 lone 6 80 - 7 - 4.3/4822=2, 1155=1 HB ILE 89 - HA ARG 17 lone 5 90 - 6 - 4.0/408=1 HB2 LYS 73 - HA ARG 17 lone 5 89 - 5 - HB2 LYS 39 - HA ARG 17 lone 5 92 - 5 - HB2 LYS 75 - HA ARG 17 lone 2 100 - 2 - HB2 LYS 39 - HA GLU 19 lone 2 68 - 3 - HB2 ARG 23 - HA GLU 19 lone 2 78 - 2 - HB3 ARG 23 - HA GLU 19 lone 2 77 - 2 - HB2 ARG 27 - HA GLU 19 lone 2 71 - 2 - HB3 ARG 27 - HA GLU 19 lone 2 70 - 2 - HB2 LYS 75 - HA GLU 19 lone 1 80 - 2 - HB2 ARG 71 - HA GLU 19 lone 1 71 - 2 - HB3 ARG 71 - HA GLU 19 lone 1 70 - 2 - HB ILE 89 - HA GLU 19 lone 1 67 - 1 - HB2 LYS 73 - HA GLU 19 lone 1 65 - 1 - Peak 1149 from cnoeabs.peaks (1.74, 4.28, 56.26 ppm; 3.50 A): 1 out of 32 assignments used, quality = 1.00: * HB3 ARG 17 + HA ARG 17 OK 100 100 - 100 - 3.0=100 HG3 ARG 71 - HA ARG 17 OK 35 99 - 37 - 2.8/1148=4, 486/3.0=4...(14) HG3 ARG 26 - HA ARG 17 OK 21 100 - 22 - 486/3.0=2, 1.8/1151=2...(7) HB2 ARG 84 - HA ARG 17 OK 11 89 - 12 - 1163=2 HB2 LEU 62 - HA ARG 17 OK 10 100 - 10 - 4.6/4690=2, 486/3.0=2...(4) HB3 ARG 17 - HA GLU 19 lone 6 80 - 7 - 4.3/4822=2, 1163=1 HB3 LYS 83 - HA GLU 19 lone 3 48 - 6 - HB3 ARG 82 - HA ARG 17 lone 3 78 - 3 - HB3 LYS 85 - HA ARG 17 lone 2 81 - 3 - HG3 ARG 26 - HA GLU 19 lone 2 79 - 3 - HB3 LYS 32 - HA ARG 17 lone 2 57 - 4 - HB2 LYS 32 - HA ARG 17 lone 2 57 - 4 - HB2 LEU 29 - HA ARG 17 lone 2 65 - 3 - HG2 PRO 34 - HA ARG 17 lone 2 90 - 2 - HB2 LEU 43 - HA ARG 17 lone 2 85 - 2 - HB ILE 33 - HA ARG 17 lone 2 71 - 2 - HB2 ARG 54 - HA ARG 17 lone 2 78 - 2 - HB2 LEU 57 - HA ARG 17 lone 2 76 - 2 - HB3 LYS 83 - HA ARG 17 lone 1 68 - 2 - HB3 LYS 85 - HA GLU 19 lone 1 58 - 2 - HB2 LEU 62 - HA GLU 19 lone 1 80 - 2 - HG3 ARG 71 - HA GLU 19 lone 1 77 - 2 - HB2 ARG 84 - HA GLU 19 lone 1 65 - 1 - HB3 ARG 82 - HA GLU 19 lone 1 56 - 1 - HB2 LEU 43 - HA GLU 19 lone 1 62 - 1 - HG2 PRO 34 - HA GLU 19 lone 0 67 - 1 - HB2 LEU 57 - HA GLU 19 lone 0 54 - 1 - HB2 ARG 54 - HA GLU 19 lone 0 56 - 1 - HB2 LEU 29 - HA GLU 19 lone 0 46 - 1 - HB ILE 33 - HA GLU 19 lone 0 50 - 1 - HB2 LYS 32 - HA GLU 19 lone 0 39 - 1 - HB3 LYS 32 - HA GLU 19 lone 0 39 - 1 - Peak 1150 from cnoeabs.peaks (1.62, 4.28, 56.26 ppm; 3.69 A): 2 out of 32 assignments used, quality = 0.99: HG3 ARG 17 + HA ARG 17 OK 90 100 - 90 - 4.0=76, 1167/3.0=7...(27) * HG2 ARG 17 + HA ARG 17 OK 90 100 - 90 - 4.0=76, 1167/3.0=7...(27) HG2 ARG 71 - HA ARG 17 OK 33 100 - 34 - 1.8/1149=6, 2.8/1148=4...(12) HG2 ARG 27 - HA ARG 17 OK 21 95 - 23 - 2.9/1148=2, 2.9/1148=2...(7) HG3 ARG 27 - HA ARG 17 OK 21 93 - 23 - 2.9/1148=2, 2.9/1148=2...(7) HG2 ARG 26 - HA ARG 17 OK 19 100 - 19 - 1.8/1149=4, ~486=2...(5) HB2 LEU 86 - HA ARG 17 OK 14 100 - 13 - 3521=2, 1.8/3528=1 HG2 ARG 84 - HA ARG 17 OK 11 71 - 15 - 3.0/1149=1 HG3 ARG 84 - HA ARG 17 OK 11 71 - 15 - 3.0/1149=1 HG LEU 86 - HA ARG 17 lone 8 83 - 9 - 2.1/3549=1, 3.0/3521=1 HD3 LYS 73 - HA ARG 17 lone 7 99 - 7 - HD2 LYS 73 - HA ARG 17 lone 7 99 - 7 - HD3 LYS 32 - HA ARG 17 lone 6 99 - 5 - HD2 LYS 32 - HA ARG 17 lone 6 99 - 5 - HG2 ARG 17 - HA GLU 19 lone 5 80 - 6 - 5.0/4822=1 HG3 ARG 17 - HA GLU 19 lone 5 80 - 6 - 5.0/4822=1 HG2 ARG 26 - HA GLU 19 lone 2 80 - 3 - HG3 ARG 70 - HA ARG 17 lone 2 99 - 2 - HB2 LEU 86 - HA GLU 19 lone 2 80 - 3 - 4.6/3720=1 HB3 LEU 51 - HA ARG 17 lone 2 85 - 2 - HG2 ARG 27 - HA GLU 19 lone 1 71 - 2 - HG3 ARG 27 - HA GLU 19 lone 1 70 - 2 - HG2 ARG 71 - HA GLU 19 lone 1 80 - 2 - HD2 LYS 73 - HA GLU 19 lone 1 77 - 1 - HD3 LYS 73 - HA GLU 19 lone 1 77 - 1 - HB3 LEU 51 - HA GLU 19 lone 1 62 - 1 - HD3 LYS 32 - HA GLU 19 lone 1 78 - 1 - HG3 ARG 70 - HA GLU 19 lone 1 78 - 1 - HD2 LYS 32 - HA GLU 19 lone 1 77 - 1 - HG3 ARG 84 - HA GLU 19 lone 1 50 - 1 - HG2 ARG 84 - HA GLU 19 lone 1 50 - 1 - HG LEU 86 - HA GLU 19 lone 1 60 - 1 - Peak 1151 from cnoeabs.peaks (1.62, 4.28, 56.26 ppm; 3.69 A): 2 out of 32 assignments used, quality = 0.99: * HG3 ARG 17 + HA ARG 17 OK 90 100 - 90 - 4.0=76, 1167/3.0=7...(27) HG2 ARG 17 + HA ARG 17 OK 90 100 - 90 - 4.0=76, 1167/3.0=7...(27) HG2 ARG 71 - HA ARG 17 OK 33 100 - 34 - 1.8/1149=6, 2.8/1148=4...(12) HG2 ARG 27 - HA ARG 17 OK 22 96 - 23 - 2.9/1148=2, 2.9/1148=2...(7) HG3 ARG 27 - HA ARG 17 OK 21 95 - 23 - 2.9/1148=2, 2.9/1148=2...(7) HG2 ARG 26 - HA ARG 17 OK 19 100 - 19 - 1.8/1149=4, ~486=2...(5) HB2 LEU 86 - HA ARG 17 OK 14 100 - 13 - 3521=2, 1.8/3528=1 HG2 ARG 84 - HA ARG 17 OK 10 68 - 15 - 3.0/1149=1 HG3 ARG 84 - HA ARG 17 OK 10 68 - 15 - 3.0/1149=1 HG LEU 86 - HA ARG 17 lone 8 81 - 9 - 2.1/3549=1, 3.0/3521=1 HD3 LYS 73 - HA ARG 17 lone 7 98 - 7 - HD2 LYS 73 - HA ARG 17 lone 7 98 - 7 - HD3 LYS 32 - HA ARG 17 lone 6 99 - 5 - HD2 LYS 32 - HA ARG 17 lone 5 98 - 5 - HG3 ARG 17 - HA GLU 19 lone 5 80 - 6 - 5.0/4822=1 HG2 ARG 17 - HA GLU 19 lone 5 80 - 6 - 5.0/4822=1 HG2 ARG 26 - HA GLU 19 lone 2 80 - 3 - HG3 ARG 70 - HA ARG 17 lone 2 99 - 2 - HB2 LEU 86 - HA GLU 19 lone 2 79 - 3 - 4.6/3720=1 HB3 LEU 51 - HA ARG 17 lone 2 83 - 2 - HG2 ARG 27 - HA GLU 19 lone 2 73 - 2 - HG3 ARG 27 - HA GLU 19 lone 1 71 - 2 - HG2 ARG 71 - HA GLU 19 lone 1 80 - 2 - HD2 LYS 73 - HA GLU 19 lone 1 76 - 1 - HD3 LYS 73 - HA GLU 19 lone 1 76 - 1 - HB3 LEU 51 - HA GLU 19 lone 1 60 - 1 - HD3 LYS 32 - HA GLU 19 lone 1 78 - 1 - HG3 ARG 70 - HA GLU 19 lone 1 78 - 1 - HD2 LYS 32 - HA GLU 19 lone 1 76 - 1 - HG3 ARG 84 - HA GLU 19 lone 1 48 - 1 - HG2 ARG 84 - HA GLU 19 lone 1 48 - 1 - HG LEU 86 - HA GLU 19 lone 1 58 - 1 - Peak 1152 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.30 A): 2 out of 28 assignments used, quality = 0.98: HD3 ARG 17 + HA ARG 17 OK 87 100 - 87 - 5.0=64, 3.0/1151=9...(40) * HD2 ARG 17 + HA ARG 17 OK 87 100 - 87 - 5.0=64, 3.0/1151=9...(40) HD2 ARG 71 - HA ARG 17 OK 30 83 - 36 - 3.0/1149=6, 3.5/1148=4...(13) HD2 ARG 26 - HA ARG 17 OK 27 93 - 29 - 3.0/1149=4, 3.0/1151=2...(9) HD3 ARG 26 - HA ARG 17 OK 26 92 - 29 - 3.0/1149=4, 3.0/1151=2...(9) HD2 ARG 27 - HA ARG 17 OK 26 98 - 27 - 3.0/1151=2, 3.0/1151=2...(9) HD3 ARG 27 - HA ARG 17 OK 26 98 - 27 - 3.0/1151=2, 3.0/1151=2...(9) HD3 ARG 84 - HA ARG 17 OK 18 97 - 18 - 3.5/1149=2, 2.9/1150=1...(4) HD2 ARG 84 - HA ARG 17 OK 17 95 - 18 - 3.5/1149=2, 2.9/1150=1...(4) HD2 ARG 23 - HA ARG 17 OK 17 100 - 16 - 3.5/1148=1, 3.5/1148=1 HD3 ARG 23 - HA ARG 17 OK 17 100 - 16 - 3.5/1148=1, 3.5/1148=1 HD2 ARG 17 - HA GLU 19 lone 4 80 - 5 - HD3 ARG 17 - HA GLU 19 lone 4 80 - 5 - HD3 ARG 66 - HA ARG 17 lone 3 65 - 4 - HD2 ARG 82 - HA ARG 17 lone 3 96 - 3 - HD2 ARG 26 - HA GLU 19 lone 3 70 - 4 - HD3 ARG 26 - HA GLU 19 lone 3 68 - 4 - HD2 ARG 66 - HA ARG 17 lone 3 60 - 4 - HD3 ARG 27 - HA GLU 19 lone 2 76 - 2 - HD2 ARG 27 - HA GLU 19 lone 2 76 - 2 - HD2 ARG 23 - HA GLU 19 lone 2 79 - 2 - HD3 ARG 23 - HA GLU 19 lone 2 79 - 2 - HD3 ARG 84 - HA GLU 19 lone 1 74 - 2 - HD2 ARG 84 - HA GLU 19 lone 1 71 - 2 - HD2 ARG 71 - HA GLU 19 lone 1 60 - 2 - HD3 ARG 66 - HA GLU 19 lone 1 46 - 2 - HD2 ARG 82 - HA GLU 19 lone 1 73 - 1 - HD2 ARG 66 - HA GLU 19 lone 1 41 - 2 - Peak 1153 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.30 A): 2 out of 28 assignments used, quality = 0.98: * HD3 ARG 17 + HA ARG 17 OK 87 100 - 87 - 5.0=64, 3.0/1151=9...(40) HD2 ARG 17 + HA ARG 17 OK 87 100 - 87 - 5.0=64, 3.0/1151=9...(40) HD2 ARG 71 - HA ARG 17 OK 30 83 - 36 - 3.0/1149=6, 3.5/1148=4...(13) HD2 ARG 26 - HA ARG 17 OK 27 93 - 29 - 3.0/1149=4, 3.0/1151=2...(9) HD3 ARG 26 - HA ARG 17 OK 26 92 - 29 - 3.0/1149=4, 3.0/1151=2...(9) HD2 ARG 27 - HA ARG 17 OK 26 98 - 27 - 3.0/1151=2, 3.0/1151=2...(9) HD3 ARG 27 - HA ARG 17 OK 26 98 - 27 - 3.0/1151=2, 3.0/1151=2...(9) HD3 ARG 84 - HA ARG 17 OK 18 97 - 18 - 3.5/1149=2, 2.9/1150=1...(4) HD2 ARG 84 - HA ARG 17 OK 17 95 - 18 - 3.5/1149=2, 2.9/1150=1...(4) HD2 ARG 23 - HA ARG 17 OK 17 100 - 16 - 3.5/1148=1, 3.5/1148=1 HD3 ARG 23 - HA ARG 17 OK 17 100 - 16 - 3.5/1148=1, 3.5/1148=1 HD2 ARG 17 - HA GLU 19 lone 4 80 - 5 - HD3 ARG 17 - HA GLU 19 lone 4 80 - 5 - HD3 ARG 66 - HA ARG 17 lone 3 65 - 4 - HD2 ARG 82 - HA ARG 17 lone 3 96 - 3 - HD2 ARG 26 - HA GLU 19 lone 3 70 - 4 - HD3 ARG 26 - HA GLU 19 lone 3 68 - 4 - HD2 ARG 66 - HA ARG 17 lone 3 60 - 4 - HD3 ARG 27 - HA GLU 19 lone 2 76 - 2 - HD2 ARG 27 - HA GLU 19 lone 2 76 - 2 - HD2 ARG 23 - HA GLU 19 lone 2 79 - 2 - HD3 ARG 23 - HA GLU 19 lone 2 79 - 2 - HD3 ARG 84 - HA GLU 19 lone 1 74 - 2 - HD2 ARG 84 - HA GLU 19 lone 1 71 - 2 - HD2 ARG 71 - HA GLU 19 lone 1 60 - 2 - HD3 ARG 66 - HA GLU 19 lone 1 46 - 2 - HD2 ARG 82 - HA GLU 19 lone 1 73 - 1 - HD2 ARG 66 - HA GLU 19 lone 1 41 - 2 - Peak 1154 from cnoeabs.peaks (8.38, 1.84, 30.61 ppm; 4.92 A): 2 out of 15 assignments used, quality = 1.00: * H ARG 17 + HB2 ARG 17 OK 100 100 - 100 - 4.0=100 H GLY 18 + HB2 ARG 17 OK 73 73 - 100 - 4.3=100 H ARG 17 - HB2 ARG 71 OK 22 52 - 43 - 485=7, 486/2.8=7...(13) H ARG 17 - HB3 ARG 71 OK 22 51 - 43 - 485=7, 486/2.8=7...(13) H ALA 16 - HB2 ARG 17 OK 13 76 - 17 - ~5486=8, 1146/3.0=3...(4) H VAL 65 - HB2 ARG 17 lone 9 99 - 9 - 3.6/1155=3, 265/3.0=2 H GLY 21 - HB2 ARG 17 lone 8 98 - 9 - 33/3.0=1, 3.6/1155=1, 1162/1.8=1 H GLY 18 - HB2 ARG 71 poor 7 31 - 24 - 3.6/1148=5, 4.7/485=4...(7) H GLY 18 - HB3 ARG 71 poor 7 31 - 24 - 3.6/1148=5, 4.7/485=4...(7) H VAL 65 - HB2 ARG 71 lone 4 50 - 8 - 5796/3.0=4 H VAL 65 - HB3 ARG 71 lone 4 49 - 8 - 5796/3.0=4 H GLY 21 - HB2 ARG 71 lone 2 48 - 5 - H GLY 21 - HB3 ARG 71 lone 2 47 - 5 - H ALA 16 - HB2 ARG 71 lone 2 33 - 6 - 4.6/485=4 H ALA 16 - HB3 ARG 71 lone 2 32 - 6 - 4.6/485=4 Peak 1155 from cnoeabs.peaks (4.28, 1.84, 30.61 ppm; 3.69 A): 1 out of 30 assignments used, quality = 1.00: * HA ARG 17 + HB2 ARG 17 OK 100 100 - 100 - 3.0=100 HA ARG 17 - HB2 ARG 71 OK 20 52 - 39 - 1148=6, 1149/2.8=5...(16) HA ARG 17 - HB3 ARG 71 OK 20 51 - 39 - 1148=6, 1149/2.8=5...(16) HA LEU 64 - HB2 ARG 17 OK 14 87 - 16 - 484/4.0=4, 1163/1.8=2...(6) HA LEU 86 - HB2 ARG 17 OK 10 73 - 14 - 1163/1.8=2, 3515/2.9=1 HA ALA 20 - HB2 ARG 17 lone 7 89 - 8 - 3725/4.3=2, 3725/4.0=2 HA GLU 19 - HB2 ARG 17 lone 6 81 - 8 - 4822/4.3=2, 1148=1, 1163/1.8=1 HA THR 88 - HB2 ARG 17 lone 6 100 - 6 - 3.5/877=1 HA LYS 39 - HB2 ARG 17 lone 4 63 - 7 - HA SER 60 - HB2 ARG 17 lone 3 100 - 3 - HA ASP 38 - HB2 ARG 17 lone 3 100 - 3 - HA LEU 64 - HB2 ARG 71 lone 2 39 - 6 - 3.9/5022=1 HA LEU 64 - HB3 ARG 71 lone 2 38 - 6 - 3.9/5022=1 HA ALA 12 - HB2 ARG 17 lone 2 83 - 2 - HA LYS 39 - HB2 ARG 71 lone 2 26 - 7 - HA LYS 39 - HB3 ARG 71 lone 2 25 - 7 - HA THR 88 - HB2 ARG 71 lone 1 52 - 3 - HA LEU 86 - HB2 ARG 71 lone 1 31 - 4 - HA LEU 86 - HB3 ARG 71 lone 1 31 - 4 - HA THR 88 - HB3 ARG 71 lone 1 51 - 2 - HA ASP 38 - HB2 ARG 71 lone 1 52 - 2 - HA SER 60 - HB2 ARG 71 lone 1 52 - 2 - HA ASP 38 - HB3 ARG 71 lone 1 51 - 2 - HA SER 60 - HB3 ARG 71 lone 1 51 - 2 - HA GLU 19 - HB2 ARG 71 lone 1 36 - 2 - HA GLU 19 - HB3 ARG 71 lone 1 35 - 2 - HA ALA 20 - HB2 ARG 71 lone 0 41 - 1 - HA ALA 20 - HB3 ARG 71 lone 0 40 - 1 - HA ALA 12 - HB2 ARG 71 lone 0 37 - 1 - HA ALA 12 - HB3 ARG 71 lone 0 36 - 1 - Peak 1156 from cnoeabs.peaks (1.84, 1.84, 30.61 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 17 + HB2 ARG 17 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 45 45 - 100 HB3 ARG 71 - HB3 ARG 71 OK 43 43 - 100 Peak 1157 from cnoeabs.peaks (1.74, 1.84, 30.61 ppm; 2.40 A): 1 out of 48 assignments used, quality = 1.00: * HB3 ARG 17 + HB2 ARG 17 OK 100 100 - 100 - 1.8=100 HG3 ARG 71 - HB2 ARG 71 OK 35 49 - 71 - 2.8=63, 2928/4.0=4...(8) HG3 ARG 71 - HB3 ARG 71 OK 34 48 - 71 - 2.8=63, 2928/4.0=4...(8) HG3 ARG 71 - HB2 ARG 17 OK 17 99 - 17 - 1149/3.0=2, 2932/2.9=1...(5) HG3 ARG 26 - HB2 ARG 71 OK 12 51 - 24 - 1394/2.8=2, 1391/3.0=2...(4) HG3 ARG 26 - HB3 ARG 71 OK 12 50 - 24 - 1394/2.8=2, 1391/3.0=2...(4) HG3 ARG 26 - HB2 ARG 17 OK 10 100 - 11 - 1149/3.0=1, 1394/2.9=1 HB3 ARG 17 - HB2 ARG 71 poor 7 52 - 14 - 3.0/1148=1 HB3 ARG 17 - HB3 ARG 71 poor 7 51 - 14 - 3.0/1148=1 HB2 ARG 84 - HB2 ARG 17 lone 4 89 - 5 - HG2 PRO 34 - HB2 ARG 71 lone 4 42 - 10 - 1723/1.8=1 HG2 PRO 34 - HB3 ARG 71 lone 4 41 - 10 - 1723/1.8=1 HB2 LEU 62 - HB2 ARG 17 lone 3 100 - 2 - HB2 LEU 62 - HB2 ARG 71 lone 2 52 - 4 - HB2 LEU 62 - HB3 ARG 71 lone 2 50 - 4 - HB2 LEU 29 - HB2 ARG 71 lone 1 27 - 5 - 5348/3.0=1 HB2 LYS 32 - HB2 ARG 71 lone 1 23 - 6 - HB3 LYS 32 - HB2 ARG 71 lone 1 23 - 6 - HB2 LEU 29 - HB3 ARG 71 lone 1 27 - 5 - 5348/3.0=1 HB3 LYS 32 - HB3 ARG 71 lone 1 23 - 6 - HB2 LYS 32 - HB3 ARG 71 lone 1 23 - 6 - HB2 ARG 84 - HB2 ARG 71 lone 1 41 - 3 - HB2 ARG 84 - HB3 ARG 71 lone 1 40 - 3 - HB3 LYS 32 - HB2 ARG 17 lone 1 57 - 2 - HB2 LYS 32 - HB2 ARG 17 lone 1 57 - 2 - HB3 LYS 85 - HB2 ARG 17 lone 1 81 - 1 - HB3 ARG 82 - HB2 ARG 17 lone 1 78 - 1 - HB2 LEU 29 - HB2 ARG 17 lone 1 65 - 1 - HB2 LEU 43 - HB2 ARG 17 lone 1 85 - 1 - HB2 ARG 54 - HB2 ARG 17 lone 1 78 - 1 - HG2 PRO 34 - HB2 ARG 17 lone 1 90 - 1 - HB3 LYS 83 - HB2 ARG 17 lone 1 68 - 1 - HB ILE 33 - HB2 ARG 17 lone 0 71 - 1 - HB3 LYS 85 - HB2 ARG 71 lone 0 36 - 1 - HB2 LEU 57 - HB2 ARG 17 lone 0 76 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 0 35 - 1 - HB3 ARG 82 - HB2 ARG 71 lone 0 34 - 1 - HB3 ARG 82 - HB3 ARG 71 lone 0 33 - 1 - HB2 ARG 54 - HB2 ARG 71 lone 0 34 - 1 - HB2 ARG 54 - HB3 ARG 71 lone 0 33 - 1 - HB2 LEU 43 - HB2 ARG 71 lone 0 38 - 1 - HB2 LEU 43 - HB3 ARG 71 lone 0 37 - 1 - HB2 LEU 57 - HB2 ARG 71 lone 0 33 - 1 - HB2 LEU 57 - HB3 ARG 71 lone 0 32 - 1 - HB3 LYS 83 - HB2 ARG 71 lone 0 29 - 1 - HB ILE 33 - HB2 ARG 71 lone 0 30 - 1 - HB3 LYS 83 - HB3 ARG 71 lone 0 28 - 1 - HB ILE 33 - HB3 ARG 71 lone 0 29 - 1 - Peak 1158 from cnoeabs.peaks (1.62, 1.84, 30.61 ppm; 2.77 A): 4 out of 48 assignments used, quality = 1.00: HG3 ARG 17 + HB2 ARG 17 OK 89 100 - 89 - 2.9=83, 1181/1.8=4...(16) * HG2 ARG 17 + HB2 ARG 17 OK 89 100 - 89 - 2.9=83, 1181/1.8=4...(14) HG2 ARG 71 + HB2 ARG 71 OK 51 52 - 98 - 2.8=97, 1.8/1157=5...(13) HG2 ARG 71 + HB3 ARG 71 OK 50 51 - 98 - 2.8=97, 1.8/1157=5...(13) HG2 ARG 71 - HB2 ARG 17 OK 20 100 - 20 - 1.8/1157=2, 3020=1...(4) HG2 ARG 26 - HB2 ARG 71 OK 16 52 - 31 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 16 50 - 31 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 17 - HB2 ARG 71 OK 13 52 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB2 ARG 71 OK 13 52 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 13 51 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 13 51 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 17 OK 12 100 - 12 - 1.8/1157=1 HG2 ARG 27 - HB2 ARG 17 OK 11 95 - 11 - HG3 ARG 27 - HB2 ARG 17 OK 10 93 - 11 - HG3 ARG 70 - HB2 ARG 71 poor 7 50 - 15 - 5.0/776=2, 2932/2.8=1...(4) HG3 ARG 70 - HB3 ARG 71 poor 7 49 - 15 - 5.0/776=2, 2932/2.8=1...(4) HG2 ARG 27 - HB2 ARG 71 poor 7 45 - 15 - 2932/2.8=1 HB2 LEU 86 - HB2 ARG 17 lone 7 100 - 7 - HG3 ARG 27 - HB2 ARG 71 poor 7 44 - 15 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 poor 7 44 - 15 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 poor 7 43 - 15 - 2932/2.8=1 HD3 LYS 32 - HB2 ARG 71 poor 6 50 - 12 - 2932/2.8=1 HG2 ARG 84 - HB2 ARG 17 lone 6 71 - 8 - HG3 ARG 84 - HB2 ARG 17 lone 6 71 - 8 - HD3 LYS 32 - HB3 ARG 71 poor 6 49 - 12 - 2932/2.8=1 HD2 LYS 32 - HB2 ARG 71 poor 6 49 - 12 - HD2 LYS 32 - HB3 ARG 71 poor 6 48 - 12 - HG LEU 86 - HB2 ARG 17 lone 4 83 - 5 - HD2 LYS 73 - HB2 ARG 71 lone 4 49 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 4 49 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 4 48 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 4 48 - 9 - HD3 LYS 73 - HB2 ARG 17 lone 3 99 - 3 - HD2 LYS 73 - HB2 ARG 17 lone 3 99 - 3 - HD3 LYS 32 - HB2 ARG 17 lone 3 99 - 3 - HD2 LYS 32 - HB2 ARG 17 lone 3 99 - 3 - HG3 ARG 70 - HB2 ARG 17 lone 3 99 - 3 - HG3 ARG 84 - HB2 ARG 71 lone 3 30 - 8 - HG2 ARG 84 - HB2 ARG 71 lone 3 30 - 8 - HG3 ARG 84 - HB3 ARG 71 lone 2 29 - 8 - HG2 ARG 84 - HB3 ARG 71 lone 2 29 - 8 - HB2 LEU 86 - HB2 ARG 71 lone 2 51 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 2 50 - 4 - HG LEU 86 - HB2 ARG 71 lone 1 37 - 4 - HG LEU 86 - HB3 ARG 71 lone 1 36 - 4 - HB3 LEU 51 - HB2 ARG 17 lone 1 85 - 1 - HB3 LEU 51 - HB2 ARG 71 lone 0 38 - 1 - HB3 LEU 51 - HB3 ARG 71 lone 0 37 - 1 - Peak 1159 from cnoeabs.peaks (1.62, 1.84, 30.61 ppm; 2.77 A): 4 out of 48 assignments used, quality = 1.00: * HG3 ARG 17 + HB2 ARG 17 OK 89 100 - 89 - 2.9=83, 1181/1.8=4...(16) HG2 ARG 17 + HB2 ARG 17 OK 89 100 - 89 - 2.9=83, 1181/1.8=4...(14) HG2 ARG 71 + HB2 ARG 71 OK 51 52 - 98 - 2.8=97, 1.8/1157=5...(13) HG2 ARG 71 + HB3 ARG 71 OK 50 51 - 98 - 2.8=97, 1.8/1157=5...(13) HG2 ARG 71 - HB2 ARG 17 OK 20 100 - 20 - 1.8/1157=2, 3010=1...(4) HG2 ARG 26 - HB2 ARG 71 OK 16 52 - 31 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 16 51 - 31 - 2932/2.8=3, ~1391=2...(9) HG3 ARG 17 - HB2 ARG 71 OK 13 52 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB2 ARG 71 OK 13 52 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 13 51 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 13 51 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 17 OK 12 100 - 12 - 1.8/1157=1 HG2 ARG 27 - HB2 ARG 17 OK 11 96 - 11 - HG3 ARG 27 - HB2 ARG 17 OK 11 95 - 11 - HG3 ARG 70 - HB2 ARG 71 poor 7 50 - 15 - 5.0/776=2, 2932/2.8=1...(4) HG3 ARG 70 - HB3 ARG 71 poor 7 49 - 15 - 5.0/776=2, 2932/2.8=1...(4) HG2 ARG 27 - HB2 ARG 71 poor 7 46 - 15 - 2932/2.8=1 HG3 ARG 27 - HB2 ARG 71 poor 7 45 - 15 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 poor 7 45 - 15 - 2932/2.8=1 HB2 LEU 86 - HB2 ARG 17 lone 7 100 - 7 - HG3 ARG 27 - HB3 ARG 71 poor 7 44 - 15 - 2932/2.8=1 HD3 LYS 32 - HB2 ARG 71 poor 6 50 - 12 - 2932/2.8=1 HD3 LYS 32 - HB3 ARG 71 poor 6 49 - 12 - 2932/2.8=1 HG2 ARG 84 - HB2 ARG 17 lone 6 68 - 8 - HG3 ARG 84 - HB2 ARG 17 lone 6 68 - 8 - HD2 LYS 32 - HB2 ARG 71 poor 6 48 - 12 - HD2 LYS 32 - HB3 ARG 71 poor 6 47 - 12 - HG LEU 86 - HB2 ARG 17 lone 4 81 - 5 - HD2 LYS 73 - HB2 ARG 71 lone 4 48 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 4 48 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 4 47 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 4 47 - 9 - HD2 LYS 73 - HB2 ARG 17 lone 3 98 - 3 - HD3 LYS 73 - HB2 ARG 17 lone 3 98 - 3 - HD3 LYS 32 - HB2 ARG 17 lone 3 99 - 3 - HD2 LYS 32 - HB2 ARG 17 lone 3 98 - 3 - HG3 ARG 70 - HB2 ARG 17 lone 3 99 - 3 - HG3 ARG 84 - HB2 ARG 71 lone 2 29 - 8 - HG2 ARG 84 - HB2 ARG 71 lone 2 29 - 8 - HG3 ARG 84 - HB3 ARG 71 lone 2 28 - 8 - HG2 ARG 84 - HB3 ARG 71 lone 2 28 - 8 - HB2 LEU 86 - HB2 ARG 71 lone 2 51 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 2 50 - 4 - HG LEU 86 - HB2 ARG 71 lone 1 36 - 4 - HG LEU 86 - HB3 ARG 71 lone 1 35 - 4 - HB3 LEU 51 - HB2 ARG 17 lone 1 83 - 1 - HB3 LEU 51 - HB2 ARG 71 lone 0 37 - 1 - HB3 LEU 51 - HB3 ARG 71 lone 0 36 - 1 - Peak 1160 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.34 A): 2 out of 42 assignments used, quality = 0.99: HD3 ARG 17 + HB2 ARG 17 OK 90 100 - 90 - 3.6=81, 3.0/1159=5...(26) * HD2 ARG 17 + HB2 ARG 17 OK 90 100 - 90 - 3.6=81, 3.0/1159=5...(26) HD2 ARG 71 - HB2 ARG 71 OK 33 37 - 91 - 3.5=85, 3.0/1157=4...(21) HD2 ARG 71 - HB3 ARG 71 OK 33 36 - 91 - 3.5=85, 3.0/1157=4...(21) HD2 ARG 26 - HB2 ARG 17 OK 20 93 - 21 - 3.0/1157=1, 1152/3.0=1 HD3 ARG 26 - HB2 ARG 17 OK 19 92 - 21 - 3.0/1157=1, 1152/3.0=1 HD2 ARG 26 - HB2 ARG 71 OK 19 44 - 43 - ~1391=2, ~2935=2...(9) HD2 ARG 26 - HB3 ARG 71 OK 18 43 - 43 - ~1391=2, ~2935=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 18 43 - 43 - ~1391=2, ~2935=2...(8) HD3 ARG 26 - HB3 ARG 71 OK 18 42 - 43 - ~1391=2, ~2935=2...(8) HD2 ARG 27 - HB2 ARG 17 OK 15 98 - 16 - 1153/3.0=1 HD3 ARG 27 - HB2 ARG 17 OK 15 98 - 16 - 1153/3.0=1 HD2 ARG 71 - HB2 ARG 17 OK 15 83 - 18 - 3.0/1157=2, ~1149=1...(4) HD3 ARG 17 - HB2 ARG 71 OK 15 52 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD2 ARG 17 - HB2 ARG 71 OK 15 52 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD3 ARG 17 - HB3 ARG 71 OK 14 51 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD2 ARG 17 - HB3 ARG 71 OK 14 51 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD3 ARG 84 - HB2 ARG 17 OK 12 97 - 13 - HD2 ARG 84 - HB2 ARG 17 OK 12 95 - 13 - HD3 ARG 23 - HB2 ARG 17 OK 11 100 - 11 - HD2 ARG 23 - HB2 ARG 17 OK 11 100 - 11 - HD3 ARG 27 - HB2 ARG 71 poor 9 48 - 18 - HD2 ARG 27 - HB2 ARG 71 poor 9 48 - 18 - HD3 ARG 27 - HB3 ARG 71 poor 8 47 - 17 - HD2 ARG 27 - HB3 ARG 71 poor 8 47 - 17 - HD3 ARG 23 - HB2 ARG 71 poor 8 51 - 16 - 2.9/1286=1 HD2 ARG 23 - HB2 ARG 71 poor 8 51 - 16 - 2.9/1286=1 HD3 ARG 23 - HB3 ARG 71 poor 8 50 - 16 - 2.9/1286=1 HD2 ARG 23 - HB3 ARG 71 poor 8 50 - 16 - 2.9/1286=1 HD3 ARG 66 - HB2 ARG 71 poor 7 27 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 66 - HB3 ARG 71 poor 7 27 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 66 - HB2 ARG 71 poor 7 25 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 66 - HB3 ARG 71 poor 6 24 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 84 - HB2 ARG 71 poor 6 47 - 12 - HD3 ARG 84 - HB3 ARG 71 poor 6 46 - 12 - HD2 ARG 84 - HB2 ARG 71 poor 6 45 - 12 - HD2 ARG 84 - HB3 ARG 71 poor 5 44 - 12 - HD3 ARG 66 - HB2 ARG 17 lone 2 65 - 3 - HD2 ARG 66 - HB2 ARG 17 lone 2 60 - 3 - HD2 ARG 82 - HB2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 1 46 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 45 - 2 - Peak 1161 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.34 A): 2 out of 42 assignments used, quality = 0.99: * HD3 ARG 17 + HB2 ARG 17 OK 90 100 - 90 - 3.6=81, 3.0/1159=5...(26) HD2 ARG 17 + HB2 ARG 17 OK 90 100 - 90 - 3.6=81, 3.0/1159=5...(26) HD2 ARG 71 - HB2 ARG 71 OK 33 37 - 91 - 3.5=85, 3.0/1157=4...(21) HD2 ARG 71 - HB3 ARG 71 OK 33 36 - 91 - 3.5=85, 3.0/1157=4...(21) HD2 ARG 26 - HB2 ARG 17 OK 20 93 - 21 - 3.0/1157=1, 1152/3.0=1 HD3 ARG 26 - HB2 ARG 17 OK 19 92 - 21 - 3.0/1157=1, 1152/3.0=1 HD2 ARG 26 - HB2 ARG 71 OK 19 44 - 43 - ~1391=2, ~2935=2...(9) HD2 ARG 26 - HB3 ARG 71 OK 18 43 - 43 - ~1391=2, ~2935=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 18 43 - 43 - ~1391=2, ~2935=2...(8) HD3 ARG 26 - HB3 ARG 71 OK 18 42 - 43 - ~1391=2, ~2935=2...(8) HD2 ARG 27 - HB2 ARG 17 OK 15 98 - 16 - 1153/3.0=1 HD3 ARG 27 - HB2 ARG 17 OK 15 98 - 16 - 1153/3.0=1 HD2 ARG 71 - HB2 ARG 17 OK 15 83 - 18 - 3.0/1157=2, ~1149=1...(4) HD3 ARG 17 - HB2 ARG 71 OK 15 52 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD2 ARG 17 - HB2 ARG 71 OK 15 52 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD3 ARG 17 - HB3 ARG 71 OK 14 51 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD2 ARG 17 - HB3 ARG 71 OK 14 51 - 29 - 3.6/1164=2, 2934/2.8=2...(5) HD3 ARG 84 - HB2 ARG 17 OK 12 97 - 13 - HD2 ARG 84 - HB2 ARG 17 OK 12 95 - 13 - HD3 ARG 23 - HB2 ARG 17 OK 11 100 - 11 - HD2 ARG 23 - HB2 ARG 17 OK 11 100 - 11 - HD3 ARG 27 - HB2 ARG 71 poor 9 48 - 18 - HD2 ARG 27 - HB2 ARG 71 poor 9 48 - 18 - HD3 ARG 27 - HB3 ARG 71 poor 8 47 - 17 - HD2 ARG 27 - HB3 ARG 71 poor 8 47 - 17 - HD3 ARG 23 - HB2 ARG 71 poor 8 51 - 16 - 2.9/1286=1 HD2 ARG 23 - HB2 ARG 71 poor 8 51 - 16 - 2.9/1286=1 HD3 ARG 23 - HB3 ARG 71 poor 8 50 - 16 - 2.9/1286=1 HD2 ARG 23 - HB3 ARG 71 poor 8 50 - 16 - 2.9/1286=1 HD3 ARG 66 - HB2 ARG 71 poor 7 27 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 66 - HB3 ARG 71 poor 7 27 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 66 - HB2 ARG 71 poor 7 25 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 66 - HB3 ARG 71 poor 6 24 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 84 - HB2 ARG 71 poor 6 47 - 12 - HD3 ARG 84 - HB3 ARG 71 poor 6 46 - 12 - HD2 ARG 84 - HB2 ARG 71 poor 6 45 - 12 - HD2 ARG 84 - HB3 ARG 71 poor 5 44 - 12 - HD3 ARG 66 - HB2 ARG 17 lone 2 65 - 3 - HD2 ARG 66 - HB2 ARG 17 lone 2 60 - 3 - HD2 ARG 82 - HB2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 1 46 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 45 - 2 - Peak 1162 from cnoeabs.peaks (8.38, 1.74, 30.61 ppm; 5.15 A): 2 out of 20 assignments used, quality = 1.00: * H ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 4.0=100 H GLY 18 + HB3 ARG 17 OK 73 73 - 100 - 4.3=100 H ALA 16 - HB3 ARG 17 OK 14 76 - 19 - ~5486=8, 1146/3.0=3...(4) H ARG 17 - HB2 ARG 84 OK 12 77 - 15 - 3.0/1149=2, 486=2...(5) H VAL 65 - HB3 ARG 17 OK 10 99 - 11 - 3.6/1163=2, 265/3.0=2 H VAL 65 - HB3 ARG 82 poor 9 69 - 13 - 268/2.9=4, 267/1.8=3...(5) H GLY 21 - HB3 ARG 17 lone 9 98 - 9 - 33/3.0=1, 3.6/1163=1, 1154/1.8=1 H VAL 65 - HB2 ARG 54 lone 5 48 - 10 - 268/1.8=2, ~5032=1, 4.0/4731=1 H ARG 17 - HB3 ARG 82 lone 4 71 - 5 - H GLY 18 - HB2 ARG 84 lone 4 49 - 7 - 3.6/1149=2, 4.7/486=1 H ALA 16 - HB2 ARG 84 lone 3 51 - 6 - 19/3.0=2, 4.6/486=1 H VAL 65 - HB2 ARG 84 lone 3 75 - 4 - H GLY 21 - HB3 ARG 82 lone 2 67 - 3 - H ARG 17 - HB2 ARG 54 lone 2 49 - 4 - H GLY 18 - HB3 ARG 82 lone 2 45 - 4 - H GLY 21 - HB2 ARG 84 lone 2 72 - 3 - H ALA 16 - HB3 ARG 82 lone 2 47 - 4 - H GLY 21 - HB2 ARG 54 lone 1 46 - 3 - H GLY 18 - HB2 ARG 54 lone 1 30 - 4 - H ALA 16 - HB2 ARG 54 lone 1 31 - 2 - Peak 1163 from cnoeabs.peaks (4.28, 1.74, 30.61 ppm; 3.73 A): 1 out of 40 assignments used, quality = 1.00: * HA ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 3.0=100 HA LEU 64 - HB3 ARG 17 OK 13 87 - 15 - 484/4.0=4, 1155/1.8=2...(5) HA ARG 17 - HB2 ARG 84 OK 11 77 - 14 - 1149=2, 3.0/486=1 HA LEU 86 - HB3 ARG 17 OK 11 73 - 14 - 1155/1.8=2, 3515/2.9=1...(4) HA LEU 64 - HB3 ARG 82 poor 9 55 - 16 - 2615/1.8=2, 2616/2.9=2...(6) HA ALA 20 - HB3 ARG 17 lone 8 89 - 9 - 3725/4.3=2, 3725/4.0=2 HA GLU 19 - HB3 ARG 17 lone 7 81 - 8 - 4822/4.3=2, 1149=1, 1155/1.8=1 HA LYS 39 - HB2 ARG 54 poor 6 25 - 25 - 6081/4.1=3, 1836/1.8=3...(10) HA THR 88 - HB3 ARG 17 lone 6 100 - 6 - 1155/1.8=1 HA LEU 86 - HB2 ARG 84 lone 5 49 - 10 - 3.0/387=2, ~386=1 HA SER 60 - HB3 ARG 17 lone 4 100 - 4 - HA LYS 39 - HB3 ARG 17 lone 3 63 - 5 - HA LYS 39 - HB2 ARG 84 lone 3 41 - 7 - HA ARG 17 - HB3 ARG 82 lone 3 71 - 4 - HA ASP 38 - HB3 ARG 17 lone 3 100 - 3 - HA LEU 64 - HB2 ARG 54 lone 3 37 - 7 - 2616/1.8=2, 4694/4.1=1, ~731=1 HA SER 60 - HB2 ARG 54 lone 3 49 - 5 - 3.6/5769=2, 3898/4.6=1, ~4643=1 HA LYS 39 - HB3 ARG 82 lone 2 37 - 6 - HA ALA 12 - HB3 ARG 17 lone 2 83 - 2 - HA THR 88 - HB2 ARG 84 lone 2 76 - 3 - HA ASP 38 - HB2 ARG 54 lone 2 49 - 3 - 5592/4.7=2 HA LEU 64 - HB2 ARG 84 lone 2 60 - 3 - HA LEU 86 - HB2 ARG 54 lone 2 30 - 5 - HA ARG 17 - HB2 ARG 54 lone 1 49 - 3 - HA GLU 19 - HB2 ARG 84 lone 1 55 - 2 - HA GLU 19 - HB3 ARG 82 lone 1 50 - 2 - HA SER 60 - HB2 ARG 84 lone 1 77 - 1 - HA ASP 38 - HB2 ARG 84 lone 1 77 - 1 - HA SER 60 - HB3 ARG 82 lone 1 71 - 1 - HA ALA 20 - HB2 ARG 84 lone 1 62 - 1 - HA ASP 38 - HB3 ARG 82 lone 1 71 - 1 - HA ALA 20 - HB3 ARG 82 lone 1 57 - 1 - HA ALA 12 - HB2 ARG 84 lone 1 56 - 1 - HA THR 88 - HB3 ARG 82 lone 1 71 - 1 - HA LEU 86 - HB3 ARG 82 lone 1 45 - 1 - HA ALA 12 - HB3 ARG 82 lone 0 52 - 1 - HA ALA 12 - HB2 ARG 54 lone 0 35 - 1 - HA ALA 20 - HB2 ARG 54 lone 0 38 - 1 - HA THR 88 - HB2 ARG 54 lone 0 49 - 1 - HA GLU 19 - HB2 ARG 54 lone 0 34 - 1 - Peak 1164 from cnoeabs.peaks (1.84, 1.74, 30.61 ppm; 2.40 A): 1 out of 44 assignments used, quality = 1.00: * HB2 ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 1.8=100 HB2 ARG 71 - HB3 ARG 17 OK 13 95 - 14 - 1148/3.0=1 HB3 ARG 71 - HB3 ARG 17 OK 13 93 - 14 - 1148/3.0=1 HB2 ARG 27 - HB3 ARG 17 lone 7 95 - 7 - HB3 ARG 27 - HB3 ARG 17 lone 7 93 - 7 - HB2 LYS 73 - HB2 ARG 84 lone 6 62 - 10 - HB2 LYS 39 - HB2 ARG 54 poor 5 41 - 12 - 1846/1.8=1, ~2317=1 HB ILE 89 - HB2 ARG 84 lone 5 63 - 7 - 3605/3.0=1 HB2 ARG 17 - HB2 ARG 84 lone 3 77 - 5 - HB2 ARG 23 - HB3 ARG 17 lone 3 99 - 3 - HB3 ARG 23 - HB3 ARG 17 lone 3 99 - 3 - HB2 ARG 23 - HB3 ARG 82 lone 3 69 - 4 - HB3 ARG 23 - HB3 ARG 82 lone 3 68 - 4 - HB2 LYS 73 - HB3 ARG 82 lone 2 57 - 4 - HB2 LYS 75 - HB2 ARG 84 lone 2 76 - 3 - HB2 LYS 39 - HB2 ARG 84 lone 2 65 - 3 - HB2 LYS 73 - HB3 ARG 17 lone 2 89 - 2 - HB ILE 89 - HB3 ARG 17 lone 2 90 - 2 - HB2 LYS 39 - HB3 ARG 17 lone 2 92 - 2 - HB2 ARG 71 - HB2 ARG 84 lone 2 68 - 3 - HB3 ARG 71 - HB2 ARG 84 lone 2 66 - 3 - HB2 LYS 39 - HB3 ARG 82 lone 1 60 - 2 - HB2 LYS 73 - HB2 ARG 54 lone 1 38 - 3 - HB2 LYS 75 - HB3 ARG 17 lone 1 100 - 1 - HB ILE 89 - HB3 ARG 82 lone 1 58 - 1 - HB2 LYS 75 - HB2 ARG 54 lone 1 49 - 2 - HB2 ARG 71 - HB3 ARG 82 lone 1 63 - 1 - HB2 LYS 75 - HB3 ARG 82 lone 1 71 - 1 - HB3 ARG 71 - HB3 ARG 82 lone 1 61 - 1 - HB2 ARG 17 - HB3 ARG 82 lone 1 71 - 1 - HB2 ARG 27 - HB2 ARG 84 lone 1 68 - 1 - HB3 ARG 27 - HB2 ARG 84 lone 1 66 - 1 - HB2 ARG 27 - HB3 ARG 82 lone 0 63 - 1 - HB2 ARG 23 - HB2 ARG 84 lone 0 74 - 1 - HB3 ARG 23 - HB2 ARG 84 lone 0 73 - 1 - HB3 ARG 27 - HB3 ARG 82 lone 0 61 - 1 - HB2 ARG 71 - HB2 ARG 54 lone 0 43 - 1 - HB3 ARG 71 - HB2 ARG 54 lone 0 42 - 1 - HB2 ARG 17 - HB2 ARG 54 lone 0 49 - 1 - HB2 ARG 23 - HB2 ARG 54 lone 0 47 - 1 - HB3 ARG 23 - HB2 ARG 54 lone 0 47 - 1 - HB2 ARG 27 - HB2 ARG 54 lone 0 43 - 0 - HB3 ARG 27 - HB2 ARG 54 lone 0 42 - 0 - HB ILE 89 - HB2 ARG 54 lone 0 40 - 0 - Peak 1165 from cnoeabs.peaks (1.74, 1.74, 30.61 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 ARG 17 + HB3 ARG 17 OK 100 100 - 100 HB2 ARG 84 + HB2 ARG 84 OK 62 62 - 100 HB3 ARG 82 + HB3 ARG 82 OK 48 48 - 100 HB2 ARG 54 - HB2 ARG 54 OK 32 32 - 100 Peak 1166 from cnoeabs.peaks (1.62, 1.74, 30.61 ppm; 2.68 A): 2 out of 64 assignments used, quality = 0.97: * HG2 ARG 17 + HB3 ARG 17 OK 84 100 - 84 - 2.9=76, 1.8/1181=4...(15) HG3 ARG 17 + HB3 ARG 17 OK 84 100 - 84 - 2.9=76, 1.8/1181=4...(13) HG3 ARG 84 - HB2 ARG 84 OK 39 47 - 83 - 3.0=75, 3394/1.8=4...(11) HG2 ARG 84 - HB2 ARG 84 OK 39 47 - 83 - 3.0=75, 3394/1.8=4...(11) HG2 ARG 71 - HB3 ARG 17 OK 21 100 - 21 - 2.8/1164=2, 2.8/1164=2...(9) HB3 LEU 51 - HB2 ARG 54 OK 16 36 - 43 - ~5145=5, ~5220=4...(22) HG2 ARG 26 - HB3 ARG 17 OK 11 100 - 11 - HG2 ARG 27 - HB3 ARG 17 OK 11 95 - 11 - HG3 ARG 27 - HB3 ARG 17 OK 11 93 - 11 - HD2 LYS 73 - HB2 ARG 84 poor 7 73 - 10 - HD3 LYS 73 - HB2 ARG 84 poor 7 73 - 10 - HB2 LEU 86 - HB3 ARG 17 lone 7 100 - 7 - HD3 LYS 32 - HB2 ARG 54 poor 6 48 - 13 - HD2 LYS 32 - HB2 ARG 54 poor 6 47 - 12 - HG3 ARG 17 - HB2 ARG 84 lone 6 77 - 7 - HG2 ARG 17 - HB2 ARG 84 lone 6 77 - 7 - HG2 ARG 84 - HB3 ARG 17 lone 5 71 - 7 - HG3 ARG 84 - HB3 ARG 17 lone 5 71 - 7 - HG2 ARG 71 - HB2 ARG 84 lone 5 77 - 6 - HG LEU 86 - HB3 ARG 17 lone 4 83 - 5 - HD3 LYS 32 - HB2 ARG 84 lone 4 75 - 5 - HD2 LYS 32 - HB2 ARG 84 lone 4 73 - 5 - HD2 LYS 73 - HB3 ARG 17 lone 4 99 - 4 - HD3 LYS 73 - HB3 ARG 17 lone 4 99 - 4 - HB2 LEU 86 - HB2 ARG 84 lone 3 76 - 4 - HD3 LYS 32 - HB3 ARG 17 lone 3 99 - 3 - HD2 LYS 32 - HB3 ARG 17 lone 3 99 - 3 - HG3 ARG 70 - HB2 ARG 84 lone 3 75 - 4 - HG3 ARG 70 - HB3 ARG 17 lone 3 99 - 3 - HD2 LYS 73 - HB3 ARG 82 lone 2 68 - 4 - HD3 LYS 73 - HB3 ARG 82 lone 2 68 - 4 - HG2 ARG 26 - HB2 ARG 84 lone 2 76 - 3 - HG LEU 86 - HB2 ARG 84 lone 2 56 - 4 - HB2 LEU 86 - HB2 ARG 54 lone 2 49 - 4 - HG2 ARG 71 - HB3 ARG 82 lone 2 71 - 2 - HD3 LYS 32 - HB3 ARG 82 lone 2 69 - 2 - HG2 ARG 17 - HB3 ARG 82 lone 1 71 - 2 - HG3 ARG 17 - HB3 ARG 82 lone 1 71 - 2 - HD2 LYS 32 - HB3 ARG 82 lone 1 68 - 2 - HG2 ARG 84 - HB3 ARG 82 lone 1 43 - 3 - HG3 ARG 84 - HB3 ARG 82 lone 1 43 - 3 - HG2 ARG 27 - HB2 ARG 84 lone 1 68 - 2 - HG LEU 86 - HB2 ARG 54 lone 1 35 - 4 - HG3 ARG 27 - HB2 ARG 84 lone 1 66 - 2 - HD3 LYS 73 - HB2 ARG 54 lone 1 47 - 2 - HD2 LYS 73 - HB2 ARG 54 lone 1 47 - 2 - HG3 ARG 70 - HB3 ARG 82 lone 1 69 - 1 - HB3 LEU 51 - HB2 ARG 84 lone 1 58 - 1 - HG3 ARG 70 - HB2 ARG 54 lone 1 48 - 2 - HG2 ARG 26 - HB3 ARG 82 lone 1 71 - 1 - HB2 LEU 86 - HB3 ARG 82 lone 1 70 - 1 - HB3 LEU 51 - HB3 ARG 17 lone 1 85 - 1 - HG2 ARG 71 - HB2 ARG 54 lone 1 49 - 1 - HG2 ARG 27 - HB3 ARG 82 lone 1 63 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 61 - 1 - HG LEU 86 - HB3 ARG 82 lone 1 52 - 1 - HG2 ARG 84 - HB2 ARG 54 lone 1 28 - 2 - HG3 ARG 84 - HB2 ARG 54 lone 1 28 - 2 - HG2 ARG 17 - HB2 ARG 54 lone 1 49 - 1 - HG3 ARG 17 - HB2 ARG 54 lone 1 49 - 1 - HB3 LEU 51 - HB3 ARG 82 lone 1 54 - 1 - HG2 ARG 26 - HB2 ARG 54 lone 0 49 - 1 - HG2 ARG 27 - HB2 ARG 54 lone 0 43 - 1 - HG3 ARG 27 - HB2 ARG 54 lone 0 42 - 1 - Peak 1167 from cnoeabs.peaks (1.62, 1.74, 30.61 ppm; 2.68 A): 2 out of 64 assignments used, quality = 0.97: HG2 ARG 17 + HB3 ARG 17 OK 84 100 - 84 - 2.9=76, 1.8/1181=4...(15) * HG3 ARG 17 + HB3 ARG 17 OK 84 100 - 84 - 2.9=76, 1.8/1181=4...(13) HG3 ARG 84 - HB2 ARG 84 OK 37 45 - 83 - 3.0=75, 3394/1.8=4...(11) HG2 ARG 84 - HB2 ARG 84 OK 37 45 - 83 - 3.0=75, 3394/1.8=4...(11) HG2 ARG 71 - HB3 ARG 17 OK 21 100 - 21 - 2.8/1164=2, 2.8/1164=2...(9) HB3 LEU 51 - HB2 ARG 54 OK 15 35 - 43 - ~5145=5, ~5220=4...(22) HG2 ARG 26 - HB3 ARG 17 OK 11 100 - 11 - HG2 ARG 27 - HB3 ARG 17 OK 11 96 - 11 - HG3 ARG 27 - HB3 ARG 17 OK 11 95 - 11 - HD2 LYS 73 - HB2 ARG 84 poor 7 72 - 10 - HD3 LYS 73 - HB2 ARG 84 poor 7 72 - 10 - HB2 LEU 86 - HB3 ARG 17 lone 7 100 - 7 - HD3 LYS 32 - HB2 ARG 54 poor 6 47 - 13 - HG3 ARG 17 - HB2 ARG 84 lone 6 77 - 7 - HD2 LYS 32 - HB2 ARG 54 poor 6 46 - 12 - HG2 ARG 17 - HB2 ARG 84 lone 6 77 - 7 - HG2 ARG 84 - HB3 ARG 17 lone 5 68 - 7 - HG3 ARG 84 - HB3 ARG 17 lone 5 68 - 7 - HG2 ARG 71 - HB2 ARG 84 lone 5 77 - 6 - HG LEU 86 - HB3 ARG 17 lone 4 81 - 5 - HD3 LYS 32 - HB2 ARG 84 lone 4 74 - 5 - HD2 LYS 32 - HB2 ARG 84 lone 4 72 - 5 - HD2 LYS 73 - HB3 ARG 17 lone 4 98 - 4 - HD3 LYS 73 - HB3 ARG 17 lone 4 98 - 4 - HB2 LEU 86 - HB2 ARG 84 lone 3 75 - 4 - HD3 LYS 32 - HB3 ARG 17 lone 3 99 - 3 - HD2 LYS 32 - HB3 ARG 17 lone 3 98 - 3 - HG3 ARG 70 - HB2 ARG 84 lone 3 74 - 4 - HG3 ARG 70 - HB3 ARG 17 lone 3 99 - 3 - HD2 LYS 73 - HB3 ARG 82 lone 2 67 - 4 - HD3 LYS 73 - HB3 ARG 82 lone 2 67 - 4 - HG2 ARG 26 - HB2 ARG 84 lone 2 76 - 3 - HG LEU 86 - HB2 ARG 84 lone 2 55 - 4 - HB2 LEU 86 - HB2 ARG 54 lone 2 48 - 4 - HG2 ARG 71 - HB3 ARG 82 lone 2 71 - 2 - HD3 LYS 32 - HB3 ARG 82 lone 1 69 - 2 - HG3 ARG 17 - HB3 ARG 82 lone 1 71 - 2 - HG2 ARG 17 - HB3 ARG 82 lone 1 71 - 2 - HD2 LYS 32 - HB3 ARG 82 lone 1 67 - 2 - HG2 ARG 84 - HB3 ARG 82 lone 1 41 - 3 - HG3 ARG 84 - HB3 ARG 82 lone 1 41 - 3 - HG2 ARG 27 - HB2 ARG 84 lone 1 69 - 2 - HG3 ARG 27 - HB2 ARG 84 lone 1 68 - 2 - HG LEU 86 - HB2 ARG 54 lone 1 34 - 4 - HD3 LYS 73 - HB2 ARG 54 lone 1 46 - 2 - HD2 LYS 73 - HB2 ARG 54 lone 1 46 - 2 - HG3 ARG 70 - HB3 ARG 82 lone 1 69 - 1 - HB3 LEU 51 - HB2 ARG 84 lone 1 56 - 1 - HG2 ARG 26 - HB3 ARG 82 lone 1 71 - 1 - HB2 LEU 86 - HB3 ARG 82 lone 1 70 - 1 - HG3 ARG 70 - HB2 ARG 54 lone 1 47 - 2 - HG2 ARG 71 - HB2 ARG 54 lone 1 49 - 1 - HB3 LEU 51 - HB3 ARG 17 lone 1 83 - 1 - HG2 ARG 27 - HB3 ARG 82 lone 1 64 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 63 - 1 - HG LEU 86 - HB3 ARG 82 lone 1 50 - 1 - HG2 ARG 17 - HB2 ARG 54 lone 1 49 - 1 - HG3 ARG 17 - HB2 ARG 54 lone 1 49 - 1 - HB3 LEU 51 - HB3 ARG 82 lone 0 52 - 1 - HG3 ARG 84 - HB2 ARG 54 lone 1 27 - 2 - HG2 ARG 84 - HB2 ARG 54 lone 1 27 - 2 - HG2 ARG 26 - HB2 ARG 54 lone 0 49 - 1 - HG2 ARG 27 - HB2 ARG 54 lone 0 44 - 1 - HG3 ARG 27 - HB2 ARG 54 lone 0 43 - 1 - Peak 1168 from cnoeabs.peaks (3.16, 1.74, 30.61 ppm; 3.91 A): 5 out of 56 assignments used, quality = 1.00: HD3 ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 3.6=100 * HD2 ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 3.6=100 HD3 ARG 84 + HB2 ARG 84 OK 70 70 - 100 - 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 - 100 - 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 - 100 - 3.6=100 HD2 ARG 26 - HB3 ARG 17 OK 27 93 - 29 - 1153/3.0=2, 1160/1.8=1...(5) HD2 ARG 71 - HB3 ARG 17 OK 26 83 - 32 - 3.5/1164=2, 3.5/1164=2...(13) HD3 ARG 26 - HB3 ARG 17 OK 26 92 - 29 - 1152/3.0=2, 1160/1.8=1...(5) HD2 ARG 27 - HB3 ARG 17 OK 23 98 - 24 - 1153/3.0=2, 3.5/1164=1...(7) HD3 ARG 27 - HB3 ARG 17 OK 23 98 - 24 - 1153/3.0=2, 3.5/1164=1...(7) HD3 ARG 84 - HB3 ARG 17 OK 15 97 - 16 - 1153/3.0=1 HD3 ARG 23 - HB3 ARG 17 OK 15 100 - 15 - 1152/3.0=1 HD2 ARG 23 - HB3 ARG 17 OK 15 100 - 15 - 1153/3.0=1 HD2 ARG 84 - HB3 ARG 17 OK 15 95 - 16 - 1153/3.0=1 HD2 ARG 17 - HB2 ARG 84 OK 12 77 - 16 - 3390/1.8=1, ~3390=1, ~3389=1 HD3 ARG 17 - HB2 ARG 84 OK 12 77 - 16 - 3390/1.8=1, ~3390=1, ~3389=1 HD2 ARG 23 - HB3 ARG 82 OK 10 70 - 14 - ~5480=2 HD3 ARG 23 - HB3 ARG 82 OK 10 70 - 14 - ~5480=2 HD2 ARG 71 - HB2 ARG 84 poor 6 56 - 11 - HD2 ARG 26 - HB2 ARG 84 lone 6 66 - 8 - HD3 ARG 26 - HB2 ARG 84 lone 6 65 - 8 - HD3 ARG 23 - HB2 ARG 84 lone 4 75 - 5 - HD2 ARG 23 - HB2 ARG 84 lone 4 75 - 5 - HD3 ARG 27 - HB2 ARG 84 lone 4 72 - 5 - HD2 ARG 27 - HB2 ARG 84 lone 4 72 - 5 - HD3 ARG 66 - HB3 ARG 17 lone 3 65 - 5 - HD3 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HD2 ARG 66 - HB3 ARG 17 lone 3 60 - 5 - HD2 ARG 84 - HB3 ARG 82 lone 3 63 - 5 - HD2 ARG 17 - HB3 ARG 82 lone 3 71 - 3 - HD3 ARG 17 - HB3 ARG 82 lone 3 71 - 3 - HD2 ARG 82 - HB2 ARG 54 lone 3 44 - 6 - 3.6/3237=1, 6.4/5476=1 HD2 ARG 82 - HB2 ARG 84 lone 2 69 - 4 - HD2 ARG 82 - HB3 ARG 17 lone 2 96 - 2 - HD2 ARG 71 - HB3 ARG 82 lone 2 52 - 4 - HD2 ARG 26 - HB3 ARG 82 lone 2 61 - 2 - HD3 ARG 26 - HB3 ARG 82 lone 2 60 - 2 - HD2 ARG 27 - HB3 ARG 82 lone 1 67 - 2 - HD3 ARG 27 - HB3 ARG 82 lone 1 67 - 2 - HD3 ARG 84 - HB2 ARG 54 lone 1 44 - 3 - HD2 ARG 84 - HB2 ARG 54 lone 1 43 - 3 - HD3 ARG 23 - HB2 ARG 54 lone 1 48 - 2 - HD2 ARG 23 - HB2 ARG 54 lone 1 48 - 2 - HD3 ARG 66 - HB3 ARG 82 lone 1 39 - 3 - HD2 ARG 66 - HB3 ARG 82 lone 1 36 - 3 - HD2 ARG 71 - HB2 ARG 54 lone 1 35 - 2 - HD3 ARG 17 - HB2 ARG 54 lone 1 49 - 2 - HD2 ARG 17 - HB2 ARG 54 lone 1 49 - 2 - HD2 ARG 26 - HB2 ARG 54 lone 1 42 - 2 - HD3 ARG 26 - HB2 ARG 54 lone 1 41 - 2 - HD3 ARG 66 - HB2 ARG 84 lone 1 43 - 2 - HD2 ARG 66 - HB2 ARG 84 lone 1 39 - 2 - HD2 ARG 27 - HB2 ARG 54 lone 1 46 - 1 - HD3 ARG 27 - HB2 ARG 54 lone 1 46 - 1 - HD3 ARG 66 - HB2 ARG 54 lone 0 26 - 1 - HD2 ARG 66 - HB2 ARG 54 lone 0 23 - 1 - Peak 1169 from cnoeabs.peaks (3.16, 1.74, 30.61 ppm; 3.91 A): 5 out of 56 assignments used, quality = 1.00: * HD3 ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 100 100 - 100 - 3.6=100 HD3 ARG 84 + HB2 ARG 84 OK 70 70 - 100 - 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 - 100 - 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 - 100 - 3.6=100 HD2 ARG 26 - HB3 ARG 17 OK 27 93 - 29 - 1153/3.0=2, 1160/1.8=1...(5) HD2 ARG 71 - HB3 ARG 17 OK 26 83 - 32 - 3.5/1164=2, 3.5/1164=2...(13) HD3 ARG 26 - HB3 ARG 17 OK 26 92 - 29 - 1152/3.0=2, 1160/1.8=1...(5) HD2 ARG 27 - HB3 ARG 17 OK 23 98 - 24 - 1153/3.0=2, 3.5/1164=1...(7) HD3 ARG 27 - HB3 ARG 17 OK 23 98 - 24 - 1153/3.0=2, 3.5/1164=1...(7) HD3 ARG 84 - HB3 ARG 17 OK 15 97 - 16 - 1153/3.0=1 HD3 ARG 23 - HB3 ARG 17 OK 15 100 - 15 - 1152/3.0=1 HD2 ARG 23 - HB3 ARG 17 OK 15 100 - 15 - 1153/3.0=1 HD2 ARG 84 - HB3 ARG 17 OK 15 95 - 16 - 1153/3.0=1 HD2 ARG 17 - HB2 ARG 84 OK 12 77 - 16 - 3390/1.8=1, ~3390=1, ~3389=1 HD3 ARG 17 - HB2 ARG 84 OK 12 77 - 16 - 3390/1.8=1, ~3390=1, ~3389=1 HD2 ARG 23 - HB3 ARG 82 OK 10 70 - 14 - ~5480=2 HD3 ARG 23 - HB3 ARG 82 OK 10 70 - 14 - ~5480=2 HD2 ARG 71 - HB2 ARG 84 poor 6 56 - 11 - HD2 ARG 26 - HB2 ARG 84 lone 6 66 - 8 - HD3 ARG 26 - HB2 ARG 84 lone 6 65 - 8 - HD3 ARG 23 - HB2 ARG 84 lone 4 75 - 5 - HD2 ARG 23 - HB2 ARG 84 lone 4 75 - 5 - HD3 ARG 27 - HB2 ARG 84 lone 4 72 - 5 - HD2 ARG 27 - HB2 ARG 84 lone 4 72 - 5 - HD3 ARG 66 - HB3 ARG 17 lone 3 65 - 5 - HD3 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HD2 ARG 66 - HB3 ARG 17 lone 3 60 - 5 - HD2 ARG 84 - HB3 ARG 82 lone 3 63 - 5 - HD2 ARG 17 - HB3 ARG 82 lone 3 71 - 3 - HD3 ARG 17 - HB3 ARG 82 lone 3 71 - 3 - HD2 ARG 82 - HB2 ARG 54 lone 3 44 - 6 - 3.6/3237=1, 6.4/5476=1 HD2 ARG 82 - HB2 ARG 84 lone 2 69 - 4 - HD2 ARG 82 - HB3 ARG 17 lone 2 96 - 2 - HD2 ARG 71 - HB3 ARG 82 lone 2 52 - 4 - HD2 ARG 26 - HB3 ARG 82 lone 2 61 - 2 - HD3 ARG 26 - HB3 ARG 82 lone 2 60 - 2 - HD2 ARG 27 - HB3 ARG 82 lone 1 67 - 2 - HD3 ARG 27 - HB3 ARG 82 lone 1 67 - 2 - HD3 ARG 84 - HB2 ARG 54 lone 1 44 - 3 - HD2 ARG 84 - HB2 ARG 54 lone 1 43 - 3 - HD3 ARG 23 - HB2 ARG 54 lone 1 48 - 2 - HD2 ARG 23 - HB2 ARG 54 lone 1 48 - 2 - HD3 ARG 66 - HB3 ARG 82 lone 1 39 - 3 - HD2 ARG 66 - HB3 ARG 82 lone 1 36 - 3 - HD2 ARG 71 - HB2 ARG 54 lone 1 35 - 2 - HD3 ARG 17 - HB2 ARG 54 lone 1 49 - 2 - HD2 ARG 17 - HB2 ARG 54 lone 1 49 - 2 - HD2 ARG 26 - HB2 ARG 54 lone 1 42 - 2 - HD3 ARG 26 - HB2 ARG 54 lone 1 41 - 2 - HD3 ARG 66 - HB2 ARG 84 lone 1 43 - 2 - HD2 ARG 66 - HB2 ARG 84 lone 1 39 - 2 - HD2 ARG 27 - HB2 ARG 54 lone 1 46 - 1 - HD3 ARG 27 - HB2 ARG 54 lone 1 46 - 1 - HD3 ARG 66 - HB2 ARG 54 lone 0 26 - 1 - HD2 ARG 66 - HB2 ARG 54 lone 0 23 - 1 - Peak 1171 from cnoeabs.peaks (4.28, 1.62, 27.10 ppm; 4.18 A): 3 out of 90 assignments used, quality = 1.00: * HA ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 4.0=100 HA ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 4.0=100 HA LEU 86 + HG LEU 86 OK 49 50 - 97 - 4.3=94, 3519/2.1=13...(16) HA ARG 17 - HG2 ARG 27 OK 25 82 - 30 - 1151=3, 1151/1.8=3...(12) HA ARG 17 - HG3 ARG 27 OK 24 80 - 30 - 1151=3, 1151/1.8=3...(12) HA LEU 64 - HG3 ARG 70 OK 21 85 - 25 - 2615/1.8=3, 4693/4.9=3...(12) HA LEU 86 - HG3 ARG 17 OK 16 73 - 21 - 3.0/860=2, 3515=2...(8) HA LEU 86 - HG2 ARG 17 OK 16 73 - 21 - 3.0/860=2, 3515=2...(7) HA ARG 17 - HG2 ARG 26 OK 15 60 - 25 - 1149/1.8=4, 1151=2...(8) HA LEU 64 - HG3 ARG 17 OK 14 87 - 16 - 484/5.0=3, 4822/5.0=2...(5) HA LEU 64 - HG2 ARG 17 OK 14 87 - 16 - 484/5.0=3, 4822/5.0=2...(5) HA LEU 64 - HG LEU 86 OK 13 62 - 21 - 2617/2.1=3, 2616/3.0=2...(9) HA ARG 17 - HG2 ARG 84 OK 12 58 - 20 - 1149/3.0=2, 1150=1...(5) HA ARG 17 - HG3 ARG 84 OK 12 58 - 20 - 1149/3.0=2, 1150=1...(5) HA THR 88 - HG2 ARG 27 OK 10 82 - 13 - 3587/3.8=4, 4035/5.0=4 HA THR 88 - HG3 ARG 27 OK 10 80 - 13 - 3587/3.8=4, 4035/5.0=4 HA ARG 17 - HG LEU 86 poor 9 79 - 12 - 1151/3.0=1, 1150=1 HA LYS 39 - HG LEU 86 poor 7 42 - 16 - ~5111=2, 1836/3.0=1, ~5110=1 HA ALA 20 - HG2 ARG 17 lone 6 89 - 7 - 3725/5.0=2, 3725/5.0=2...(4) HA ALA 20 - HG3 ARG 17 lone 6 89 - 7 - 3725/5.0=2, 3725/5.0=2...(4) HA THR 88 - HG3 ARG 17 lone 6 100 - 6 - 1155/2.9=1 HA THR 88 - HG2 ARG 17 lone 6 100 - 6 - 1155/2.9=1 HA GLU 19 - HG2 ARG 17 lone 6 81 - 8 - 4822/5.0=2, 1163/2.9=1 HA GLU 19 - HG3 ARG 17 lone 6 81 - 8 - 4822/5.0=2, 1163/2.9=1 HA LEU 86 - HG3 ARG 70 lone 6 71 - 8 - 3.6/396=1 HA LEU 86 - HG2 ARG 84 poor 5 36 - 15 - 3.0/860=2, ~387=1...(7) HA LEU 86 - HG3 ARG 84 poor 5 36 - 15 - 3.0/860=2, ~387=1...(7) HA THR 88 - HG LEU 86 lone 5 78 - 6 - ~4840=1 HA THR 88 - HG2 ARG 26 lone 4 59 - 7 - 5997/4.9=2, ~1390=1 HA LEU 64 - HG2 ARG 27 lone 4 65 - 6 - 3.9/5161=2 HA LEU 64 - HG3 ARG 27 lone 4 64 - 6 - 3.9/5161=2 HA LYS 39 - HG2 ARG 17 lone 3 63 - 5 - HA LYS 39 - HG3 ARG 17 lone 3 63 - 5 - HA SER 60 - HG2 ARG 17 lone 3 100 - 3 - HA SER 60 - HG3 ARG 17 lone 3 100 - 3 - HA LYS 39 - HG2 ARG 84 poor 3 30 - 11 - HA LYS 39 - HG3 ARG 84 poor 3 30 - 11 - HA ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HA ASP 38 - HG3 ARG 17 lone 3 100 - 3 - HA ASP 38 - HG2 ARG 17 lone 3 100 - 3 - HA ASP 38 - HG LEU 86 lone 2 79 - 3 - HA ALA 12 - HG2 ARG 17 lone 2 83 - 3 - HA ALA 12 - HG3 ARG 17 lone 2 83 - 3 - HA LEU 86 - HG2 ARG 27 lone 2 53 - 4 - HA LEU 86 - HG3 ARG 27 lone 2 52 - 4 - HA LEU 86 - HG2 ARG 26 lone 2 37 - 6 - HA ASP 38 - HG3 ARG 70 lone 2 99 - 2 - HA THR 88 - HG3 ARG 70 lone 2 99 - 2 - HA SER 60 - HG LEU 86 lone 2 79 - 2 - HA SER 60 - HG3 ARG 70 lone 2 99 - 2 - HA GLU 19 - HG2 ARG 27 lone 2 59 - 3 - HA GLU 19 - HG3 ARG 27 lone 2 58 - 3 - HA GLU 19 - HG2 ARG 26 lone 2 41 - 4 - HA ALA 12 - HG LEU 86 lone 2 58 - 3 - HA LYS 39 - HG2 ARG 27 lone 2 45 - 3 - HA LEU 64 - HG2 ARG 26 lone 2 46 - 3 - HA LYS 39 - HG3 ARG 27 lone 1 44 - 3 - HA LEU 64 - HG3 ARG 84 lone 1 45 - 3 - HA LEU 64 - HG2 ARG 84 lone 1 45 - 3 - HA LYS 39 - HG3 ARG 70 lone 1 61 - 2 - HA SER 60 - HG2 ARG 27 lone 1 82 - 1 - HA SER 60 - HG3 ARG 27 lone 1 80 - 1 - HA THR 88 - HG2 ARG 84 lone 1 58 - 2 - HA THR 88 - HG3 ARG 84 lone 1 58 - 2 - HA GLU 19 - HG3 ARG 70 lone 1 79 - 1 - HA ALA 20 - HG3 ARG 70 lone 1 87 - 1 - HA ASP 38 - HG2 ARG 27 lone 1 82 - 1 - HA ASP 38 - HG3 ARG 27 lone 1 80 - 1 - HA GLU 19 - HG LEU 86 lone 1 56 - 2 - HA ALA 12 - HG3 ARG 70 lone 1 81 - 1 - HA ASP 38 - HG2 ARG 26 lone 1 59 - 2 - HA ASP 38 - HG2 ARG 84 lone 1 58 - 1 - HA ASP 38 - HG3 ARG 84 lone 1 58 - 1 - HA ALA 20 - HG2 ARG 27 lone 1 67 - 1 - HA ALA 20 - HG3 ARG 27 lone 1 65 - 1 - HA SER 60 - HG3 ARG 84 lone 1 58 - 1 - HA SER 60 - HG2 ARG 84 lone 1 58 - 1 - HA GLU 19 - HG3 ARG 84 lone 1 40 - 2 - HA GLU 19 - HG2 ARG 84 lone 1 40 - 2 - HA ALA 12 - HG2 ARG 27 lone 1 61 - 1 - HA ALA 20 - HG LEU 86 lone 1 64 - 1 - HA ALA 12 - HG3 ARG 27 lone 1 60 - 1 - HA SER 60 - HG2 ARG 26 lone 1 60 - 1 - HA ALA 20 - HG2 ARG 26 lone 1 47 - 1 - HA ALA 12 - HG2 ARG 26 lone 1 43 - 1 - HA ALA 12 - HG3 ARG 84 lone 1 42 - 1 - HA ALA 12 - HG2 ARG 84 lone 1 42 - 1 - HA LYS 39 - HG2 ARG 26 lone 1 30 - 2 - HA ALA 20 - HG2 ARG 84 lone 1 46 - 1 - HA ALA 20 - HG3 ARG 84 lone 1 46 - 1 - Peak 1172 from cnoeabs.peaks (1.84, 1.62, 27.10 ppm; 2.71 A): 6 out of 99 assignments used, quality = 1.00: HB2 ARG 17 + HG3 ARG 17 OK 87 100 - 87 - 2.9=79, 1.8/1167=6...(13) * HB2 ARG 17 + HG2 ARG 17 OK 87 100 - 87 - 2.9=79, 1.8/1167=6...(13) HB2 ARG 27 + HG2 ARG 27 OK 65 73 - 89 - 2.9=82, 3.0/1418=4...(13) HB2 ARG 27 + HG3 ARG 27 OK 63 71 - 89 - 2.9=82, 3.0/1418=4...(13) HB3 ARG 27 + HG2 ARG 27 OK 63 71 - 89 - 2.9=82, 3.0/1418=4...(13) HB3 ARG 27 + HG3 ARG 27 OK 62 70 - 89 - 2.9=82, 3.0/1418=4...(13) HB2 ARG 71 - HG2 ARG 17 OK 22 95 - 24 - 2.8/2932=2, 1164/2.9=2...(4) HB2 ARG 71 - HG3 ARG 17 OK 22 94 - 24 - 2.8/2932=2, 1164/2.9=2...(4) HB3 ARG 71 - HG2 ARG 17 OK 22 93 - 24 - 2.8/2932=2, 1164/2.9=1...(4) HB3 ARG 71 - HG3 ARG 17 OK 22 93 - 24 - 2.8/2932=2, 1164/2.9=1...(4) HB2 ARG 71 - HG2 ARG 26 OK 16 52 - 31 - 2.8/2932=2, ~1391=2...(9) HB3 ARG 71 - HG2 ARG 26 OK 15 51 - 31 - 2.8/2932=2, ~1391=2...(9) HB2 ARG 71 - HG3 ARG 70 OK 13 93 - 14 - 776/5.0=2, 2.8/2932=1...(4) HB3 ARG 71 - HG3 ARG 70 OK 13 92 - 14 - 776/5.0=2, 2.8/2932=1...(4) HB ILE 89 - HG LEU 86 OK 11 65 - 17 - 3607/2.1=2, ~4840=2...(4) HB2 ARG 27 - HG2 ARG 17 OK 11 95 - 11 - HB2 ARG 27 - HG3 ARG 17 OK 11 94 - 11 - HB3 ARG 27 - HG2 ARG 17 OK 11 93 - 11 - HB3 ARG 27 - HG3 ARG 17 OK 11 93 - 11 - HB2 ARG 71 - HG2 ARG 27 OK 10 73 - 14 - 2.8/2932=1 HB2 ARG 71 - HG3 ARG 27 OK 10 71 - 14 - 2.8/2932=1 HB3 ARG 71 - HG2 ARG 27 OK 10 71 - 14 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 27 poor 10 70 - 14 - 2.8/2932=1 HB2 ARG 27 - HG2 ARG 26 poor 10 52 - 19 - 4.1/64=2, 3.0/1418=2 HB2 ARG 17 - HG2 ARG 27 poor 9 82 - 11 - HB3 ARG 27 - HG2 ARG 26 poor 9 51 - 19 - 4.1/64=2, 3.0/1418=2 HB2 ARG 17 - HG3 ARG 27 poor 9 80 - 11 - HB2 ARG 23 - HG2 ARG 27 poor 8 79 - 11 - HB3 ARG 23 - HG2 ARG 27 poor 8 78 - 11 - HB2 ARG 23 - HG3 ARG 27 poor 8 78 - 11 - HB3 ARG 23 - HG3 ARG 27 poor 8 77 - 11 - HB2 LYS 39 - HG LEU 86 poor 8 67 - 11 - 5111/2.1=1, ~5206=1 HB2 ARG 17 - HG2 ARG 26 poor 7 60 - 11 - 1157/1.8=1 HB2 ARG 23 - HG2 ARG 17 lone 5 99 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 5 99 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 5 99 - 5 - HB3 ARG 23 - HG3 ARG 17 lone 5 99 - 5 - HB2 LYS 73 - HG3 ARG 84 poor 5 46 - 11 - HB2 LYS 73 - HG2 ARG 84 poor 5 46 - 11 - HB2 ARG 17 - HG3 ARG 84 lone 5 58 - 8 - HB2 ARG 17 - HG2 ARG 84 lone 5 58 - 8 - HB2 ARG 17 - HG LEU 86 lone 5 79 - 6 - HB2 LYS 73 - HG3 ARG 70 lone 4 87 - 5 - 5061/4.0=2 HB2 ARG 71 - HG3 ARG 84 lone 4 51 - 8 - HB2 ARG 71 - HG2 ARG 84 lone 4 51 - 8 - HB3 ARG 71 - HG2 ARG 84 lone 4 50 - 8 - HB3 ARG 71 - HG3 ARG 84 lone 4 50 - 8 - HB2 LYS 75 - HG3 ARG 70 lone 4 99 - 4 - 5061/4.0=1 HB2 LYS 73 - HG3 ARG 17 lone 3 89 - 4 - HB2 LYS 73 - HG2 ARG 17 lone 3 89 - 4 - HB ILE 89 - HG3 ARG 84 lone 3 47 - 7 - 3605/3.9=1 HB ILE 89 - HG2 ARG 84 lone 3 47 - 7 - 3605/3.9=1 HB2 LYS 73 - HG LEU 86 lone 3 64 - 5 - HB2 ARG 71 - HG LEU 86 lone 3 70 - 4 - HB3 ARG 71 - HG LEU 86 lone 3 68 - 4 - HB ILE 89 - HG2 ARG 27 lone 3 68 - 4 - 3604/5.0=1 HB ILE 89 - HG3 ARG 17 lone 3 90 - 3 - HB ILE 89 - HG2 ARG 17 lone 3 90 - 3 - HB ILE 89 - HG3 ARG 27 lone 3 67 - 4 - 3604/5.0=1 HB2 ARG 17 - HG3 ARG 70 lone 2 99 - 2 - HB2 LYS 39 - HG2 ARG 84 lone 2 49 - 5 - HB2 LYS 39 - HG3 ARG 84 lone 2 49 - 5 - HB2 LYS 39 - HG2 ARG 17 lone 2 92 - 2 - HB2 LYS 39 - HG3 ARG 17 lone 2 92 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 2 93 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 92 - 2 - HB2 ARG 23 - HG2 ARG 26 lone 2 57 - 3 - HB3 ARG 23 - HG2 ARG 26 lone 2 57 - 3 - HB2 LYS 75 - HG2 ARG 84 lone 2 58 - 3 - HB2 LYS 75 - HG3 ARG 84 lone 2 58 - 3 - HB2 LYS 75 - HG LEU 86 lone 1 78 - 2 - HB2 LYS 75 - HG2 ARG 17 lone 1 100 - 1 - HB2 LYS 75 - HG3 ARG 17 lone 1 100 - 1 - HB2 ARG 27 - HG LEU 86 lone 1 70 - 2 - HB3 ARG 27 - HG LEU 86 lone 1 68 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 70 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 90 - 1 - HB2 LYS 39 - HG3 ARG 27 lone 1 69 - 1 - HB2 ARG 23 - HG LEU 86 lone 1 76 - 1 - HB3 ARG 23 - HG LEU 86 lone 1 75 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 98 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 97 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 81 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 80 - 1 - HB2 LYS 73 - HG2 ARG 27 lone 1 67 - 1 - HB2 ARG 27 - HG3 ARG 84 lone 1 51 - 1 - HB2 ARG 27 - HG2 ARG 84 lone 1 51 - 1 - HB2 LYS 73 - HG3 ARG 27 lone 1 65 - 1 - HB3 ARG 27 - HG3 ARG 84 lone 1 50 - 1 - HB3 ARG 27 - HG2 ARG 84 lone 1 50 - 1 - HB2 ARG 23 - HG3 ARG 84 lone 1 56 - 1 - HB2 ARG 23 - HG2 ARG 84 lone 1 56 - 1 - HB2 LYS 73 - HG2 ARG 26 lone 1 47 - 1 - HB3 ARG 23 - HG3 ARG 84 lone 1 56 - 1 - HB3 ARG 23 - HG2 ARG 84 lone 1 56 - 1 - HB ILE 89 - HG2 ARG 26 lone 1 48 - 1 - HB ILE 89 - HG3 ARG 70 lone 1 88 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 59 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 0 50 - 1 - Peak 1173 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 3 out of 144 assignments used, quality = 0.96: * HB3 ARG 17 + HG2 ARG 17 OK 67 100 - 67 - 2.9=55, 1167/1.8=5...(9) HB3 ARG 17 + HG3 ARG 17 OK 67 100 - 67 - 2.9=55, 1167/1.8=5...(9) HG3 ARG 26 + HG2 ARG 26 OK 58 58 - 100 - 1.8=100 HB2 ARG 84 - HG2 ARG 84 OK 30 46 - 66 - 3.0=54, 3380/1.8=5...(11) HB2 ARG 84 - HG3 ARG 84 OK 30 46 - 66 - 3.0=54, 3380/1.8=5...(11) HG3 ARG 71 - HG2 ARG 17 OK 19 99 - 20 - 2932=3, 2932/1.8=2...(6) HG3 ARG 71 - HG3 ARG 17 OK 19 99 - 20 - 2932=3, 2932/1.8=2...(6) HB2 LEU 62 - HG LEU 86 OK 16 78 - 21 - 2577/2.1=3, 2574=2, 2575/3.0=2 HG3 ARG 71 - HG2 ARG 26 OK 13 57 - 24 - 2932=4, 2929/3.7=2...(6) HB2 LEU 29 - HG LEU 86 OK 13 44 - 30 - 1488/2.1=2, 1489/2.1=2...(7) HG3 ARG 71 - HG3 ARG 70 OK 13 97 - 13 - 2928/5.0=3, 2932=2, ~2869=1 HG3 ARG 26 - HG2 ARG 17 OK 11 100 - 11 - 1394=2, 1394/1.8=2 HG3 ARG 26 - HG3 ARG 17 OK 11 100 - 11 - 1394=2, 1394/1.8=2 HG3 ARG 26 - HG2 ARG 27 OK 11 81 - 14 - 1394=3, 1394/1.8=2, 65/5.0=1 HG3 ARG 26 - HG3 ARG 27 OK 11 79 - 14 - 1394=3, 1394/1.8=2, 65/5.0=1 HG3 ARG 71 - HG2 ARG 27 poor 8 78 - 11 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HG3 ARG 27 poor 8 77 - 11 - 2932=2, 2932/1.8=1 HB3 ARG 17 - HG2 ARG 27 lone 7 82 - 9 - HB3 ARG 17 - HG3 ARG 27 lone 7 80 - 9 - HB2 ARG 84 - HG3 ARG 17 lone 5 89 - 6 - HG3 ARG 26 - HG3 ARG 70 lone 5 99 - 5 - 1390/5.0=1 HB3 ARG 17 - HG2 ARG 26 lone 5 60 - 8 - HB2 ARG 84 - HG2 ARG 17 lone 5 89 - 5 - HG3 ARG 71 - HG3 ARG 84 lone 4 56 - 7 - HG3 ARG 71 - HG2 ARG 84 lone 4 56 - 7 - HB3 ARG 17 - HG3 ARG 84 lone 3 58 - 6 - HB3 ARG 17 - HG2 ARG 84 lone 3 58 - 6 - HB3 ARG 17 - HG LEU 86 lone 3 79 - 4 - HB2 LEU 62 - HG3 ARG 70 lone 3 99 - 3 - HB2 LEU 29 - HG2 ARG 84 lone 3 31 - 10 - HB2 LEU 29 - HG3 ARG 84 lone 3 31 - 10 - HB3 LYS 85 - HG2 ARG 84 lone 3 40 - 7 - 3385/3.0=1, 6062/3.9=1 HB3 LYS 85 - HG3 ARG 84 lone 3 40 - 7 - 3385/3.0=1, 6062/3.9=1 HG2 PRO 34 - HG2 ARG 26 lone 3 48 - 6 - HB3 LYS 32 - HG3 ARG 70 lone 3 56 - 5 - HB2 LYS 32 - HG3 ARG 70 lone 3 56 - 5 - HB2 LEU 62 - HG2 ARG 26 lone 3 59 - 4 - HB2 LEU 43 - HG LEU 86 lone 3 60 - 4 - HB2 LEU 62 - HG2 ARG 84 lone 2 58 - 4 - HB2 LEU 62 - HG3 ARG 84 lone 2 58 - 4 - HB2 LEU 62 - HG3 ARG 17 lone 2 100 - 2 - HB2 LEU 62 - HG2 ARG 17 lone 2 100 - 2 - HB2 LEU 29 - HG3 ARG 70 lone 2 64 - 3 - HB3 ARG 17 - HG3 ARG 70 lone 2 99 - 2 - HG3 ARG 26 - HG LEU 86 lone 2 77 - 3 - HB3 LYS 85 - HG LEU 86 lone 2 56 - 4 - 4.6/860=1 HB2 LEU 57 - HG3 ARG 70 lone 2 74 - 3 - HB2 ARG 84 - HG3 ARG 70 lone 2 87 - 2 - HB2 ARG 84 - HG LEU 86 lone 2 64 - 3 - HG3 ARG 71 - HG LEU 86 lone 2 75 - 2 - HG2 PRO 34 - HG2 ARG 27 lone 2 68 - 3 - HG2 PRO 34 - HG3 ARG 27 lone 2 67 - 3 - HB2 ARG 54 - HG LEU 86 lone 2 54 - 3 - HB3 LYS 32 - HG3 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HG3 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HG2 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HG2 ARG 17 lone 2 57 - 3 - HB3 LYS 83 - HG3 ARG 84 lone 2 33 - 5 - HB3 LYS 83 - HG2 ARG 84 lone 2 33 - 5 - HG3 ARG 26 - HG3 ARG 84 lone 1 57 - 3 - HG3 ARG 26 - HG2 ARG 84 lone 1 57 - 3 - HB3 LYS 85 - HG3 ARG 70 lone 1 79 - 2 - HB3 LYS 85 - HG2 ARG 17 lone 1 81 - 2 - HB3 LYS 85 - HG3 ARG 17 lone 1 81 - 2 - HB2 LEU 43 - HG3 ARG 70 lone 1 83 - 1 - HB2 ARG 54 - HG3 ARG 70 lone 1 76 - 1 - HG2 PRO 34 - HG LEU 86 lone 1 65 - 2 - HB2 ARG 84 - HG2 ARG 27 lone 1 67 - 2 - HB2 ARG 84 - HG3 ARG 27 lone 1 65 - 1 - HB2 LEU 29 - HG3 ARG 17 lone 1 65 - 1 - HB2 LEU 29 - HG2 ARG 17 lone 1 65 - 1 - HB2 LYS 32 - HG2 ARG 84 lone 1 27 - 4 - HB2 LYS 32 - HG3 ARG 84 lone 1 27 - 4 - HB3 LYS 32 - HG3 ARG 84 lone 1 27 - 4 - HB3 LYS 32 - HG2 ARG 84 lone 1 27 - 4 - HB3 ARG 82 - HG3 ARG 17 lone 1 78 - 1 - HB3 ARG 82 - HG2 ARG 17 lone 1 78 - 1 - HB2 LEU 57 - HG LEU 86 lone 1 52 - 2 - HB2 ARG 84 - HG2 ARG 26 lone 1 47 - 2 - HB3 ARG 82 - HG3 ARG 84 lone 1 39 - 2 - HB3 ARG 82 - HG2 ARG 84 lone 1 39 - 2 - HB2 LEU 43 - HG2 ARG 84 lone 1 43 - 2 - HB2 LEU 43 - HG3 ARG 84 lone 1 43 - 2 - HB2 LEU 29 - HG2 ARG 26 lone 1 32 - 2 - HG2 PRO 34 - HG2 ARG 17 lone 1 90 - 1 - HG2 PRO 34 - HG3 ARG 17 lone 1 90 - 1 - HB2 LEU 62 - HG2 ARG 27 lone 1 81 - 1 - HB3 LYS 32 - HG LEU 86 lone 1 38 - 2 - HB2 LYS 32 - HG LEU 86 lone 1 38 - 2 - HB2 LEU 62 - HG3 ARG 27 lone 1 80 - 1 - HB3 ARG 82 - HG3 ARG 70 lone 1 76 - 1 - HB2 ARG 54 - HG2 ARG 17 lone 1 78 - 1 - HB2 ARG 54 - HG3 ARG 17 lone 1 78 - 1 - HB2 LEU 43 - HG2 ARG 17 lone 1 85 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 1 85 - 1 - HB2 LYS 32 - HG2 ARG 27 lone 1 40 - 2 - HB3 LYS 32 - HG2 ARG 27 lone 1 40 - 2 - HB2 LYS 32 - HG3 ARG 27 lone 1 39 - 2 - HB3 LYS 32 - HG3 ARG 27 lone 1 39 - 2 - HB2 ARG 54 - HG3 ARG 84 lone 1 39 - 2 - HB2 ARG 54 - HG2 ARG 84 lone 1 39 - 2 - HB ILE 33 - HG LEU 86 lone 1 48 - 1 - HB3 LYS 32 - HG2 ARG 26 lone 1 27 - 2 - HB2 LYS 32 - HG2 ARG 26 lone 1 27 - 2 - HB3 LYS 83 - HG2 ARG 17 lone 1 68 - 1 - HB3 LYS 83 - HG3 ARG 17 lone 1 68 - 1 - HB3 LYS 83 - HG LEU 86 lone 1 46 - 1 - HG2 PRO 34 - HG3 ARG 70 lone 0 88 - 1 - HB3 LYS 83 - HG3 ARG 70 lone 1 66 - 1 - HB2 LEU 29 - HG2 ARG 27 lone 0 47 - 1 - HB2 LEU 43 - HG2 ARG 27 lone 0 63 - 1 - HB2 LEU 29 - HG3 ARG 27 lone 0 46 - 1 - HG2 PRO 34 - HG2 ARG 84 lone 0 47 - 1 - HG2 PRO 34 - HG3 ARG 84 lone 0 47 - 1 - HB2 LEU 43 - HG3 ARG 27 lone 0 62 - 1 - HB2 LEU 43 - HG2 ARG 26 lone 0 44 - 1 - HB2 LEU 57 - HG2 ARG 17 lone 0 76 - 1 - HB2 LEU 57 - HG3 ARG 17 lone 0 76 - 1 - HB3 ARG 82 - HG LEU 86 lone 0 54 - 1 - HB3 ARG 82 - HG2 ARG 27 lone 0 57 - 1 - HB2 LEU 57 - HG2 ARG 27 lone 0 55 - 1 - HB3 ARG 82 - HG3 ARG 27 lone 0 56 - 1 - HB2 LEU 57 - HG3 ARG 27 lone 0 54 - 1 - HB2 LEU 57 - HG2 ARG 26 lone 0 38 - 1 - HB3 LYS 85 - HG2 ARG 27 lone 0 59 - 1 - HB ILE 33 - HG3 ARG 70 lone 0 69 - 0 - HB3 LYS 85 - HG3 ARG 27 lone 0 58 - 1 - HB ILE 33 - HG2 ARG 17 lone 0 71 - 0 - HB ILE 33 - HG3 ARG 17 lone 0 71 - 0 - HB3 ARG 82 - HG2 ARG 26 lone 0 40 - 1 - HB3 LYS 85 - HG2 ARG 26 lone 0 41 - 1 - HB2 ARG 54 - HG2 ARG 27 lone 0 57 - 0 - HB2 ARG 54 - HG3 ARG 27 lone 0 56 - 0 - HB ILE 33 - HG2 ARG 27 lone 0 51 - 0 - HB ILE 33 - HG3 ARG 27 lone 0 50 - 0 - HB2 ARG 54 - HG2 ARG 26 lone 0 40 - 1 - HB ILE 33 - HG2 ARG 26 lone 0 35 - 1 - HB3 LYS 83 - HG2 ARG 27 lone 0 49 - 0 - HB3 LYS 83 - HG3 ARG 27 lone 0 48 - 0 - HB2 LEU 57 - HG2 ARG 84 lone 0 37 - 0 - HB2 LEU 57 - HG3 ARG 84 lone 0 37 - 0 - HB3 LYS 83 - HG2 ARG 26 lone 0 33 - 0 - HB ILE 33 - HG3 ARG 84 lone 0 34 - 0 - HB ILE 33 - HG2 ARG 84 lone 0 34 - 0 - Peak 1174 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: * HG2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 HG3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 HG3 ARG 70 + HG3 ARG 70 OK 98 98 - 100 HG2 ARG 27 + HG2 ARG 27 OK 73 73 - 100 HG3 ARG 27 + HG3 ARG 27 OK 70 70 - 100 HG2 ARG 26 + HG2 ARG 26 OK 59 59 - 100 HG LEU 86 + HG LEU 86 OK 58 58 - 100 HG3 ARG 84 - HG3 ARG 84 OK 34 34 - 100 HG2 ARG 84 - HG2 ARG 84 OK 34 34 - 100 Peak 1175 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: HG3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 HG2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 HG3 ARG 70 + HG3 ARG 70 OK 98 98 - 100 HG2 ARG 27 + HG2 ARG 27 OK 74 74 - 100 HG3 ARG 27 + HG3 ARG 27 OK 71 71 - 100 HG2 ARG 26 + HG2 ARG 26 OK 59 59 - 100 HG LEU 86 + HG LEU 86 OK 56 56 - 100 HG3 ARG 84 - HG3 ARG 84 OK 33 33 - 100 HG2 ARG 84 - HG2 ARG 84 OK 33 33 - 100 Reference assignment not found: HG3 ARG 17 - HG2 ARG 17 Peak 1176 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 126 assignments used, quality = 1.00: HD3 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 * HD2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 76 76 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 76 76 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 53 53 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 - 100 - 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 51 51 - 100 - 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 - 100 - 3.0=100 HD3 ARG 66 - HG3 ARG 70 OK 22 64 - 35 - ~2703=2, 3.0/2876=2...(13) HD2 ARG 66 - HG3 ARG 70 OK 20 58 - 35 - ~2703=2, 3.0/2876=2...(13) HD2 ARG 71 - HG2 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 26 - HG2 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD2 ARG 26 - HG3 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 1421/3.8=1 HD2 ARG 26 - HG3 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 1421/3.8=1 HD3 ARG 26 - HG2 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 13 69 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 71 - HG3 ARG 70 OK 11 81 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD3 ARG 23 - HG2 ARG 27 OK 10 81 - 13 - HD2 ARG 23 - HG2 ARG 27 OK 10 81 - 13 - HD3 ARG 23 - HG3 ARG 27 OK 10 79 - 13 - HD2 ARG 23 - HG3 ARG 27 OK 10 79 - 13 - HD2 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 71 - HG2 ARG 26 poor 9 43 - 22 - 3.0/2932=3, ~1394=2, 2937/3.7=1 HD2 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 84 - HG3 ARG 17 lone 7 97 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 7 97 - 8 - HD2 ARG 84 - HG3 ARG 17 lone 7 94 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 7 95 - 8 - HD3 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 71 - HG2 ARG 27 poor 7 61 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 17 - HG2 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG2 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG3 ARG 27 lone 6 80 - 7 - HD3 ARG 17 - HG3 ARG 27 lone 6 80 - 7 - HD2 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 66 - HG2 ARG 26 poor 5 32 - 17 - HD2 ARG 26 - HG3 ARG 70 lone 5 92 - 5 - HD2 ARG 66 - HG2 ARG 26 poor 5 29 - 17 - HD3 ARG 17 - HG2 ARG 84 lone 5 58 - 8 - HD3 ARG 17 - HG3 ARG 84 lone 5 58 - 8 - HD2 ARG 17 - HG2 ARG 84 lone 5 58 - 8 - HD2 ARG 17 - HG3 ARG 84 lone 5 58 - 8 - HD3 ARG 26 - HG3 ARG 70 lone 4 90 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 79 - 4 - HD2 ARG 17 - HG LEU 86 lone 3 79 - 4 - HD3 ARG 66 - HG2 ARG 27 lone 3 47 - 7 - HD2 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 66 - HG3 ARG 27 lone 3 46 - 7 - HD2 ARG 71 - HG3 ARG 84 lone 3 42 - 7 - HD2 ARG 71 - HG2 ARG 84 lone 3 42 - 7 - HD3 ARG 84 - HG3 ARG 70 lone 3 95 - 3 - HD2 ARG 66 - HG2 ARG 27 lone 3 42 - 7 - HD2 ARG 84 - HG3 ARG 70 lone 3 93 - 3 - HD2 ARG 66 - HG3 ARG 27 lone 3 41 - 7 - HD2 ARG 26 - HG LEU 86 lone 3 68 - 4 - HD3 ARG 26 - HG LEU 86 lone 3 67 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD2 ARG 26 - HG3 ARG 84 lone 3 50 - 5 - HD2 ARG 26 - HG2 ARG 84 lone 3 50 - 5 - HD3 ARG 26 - HG3 ARG 84 lone 2 49 - 5 - HD3 ARG 26 - HG2 ARG 84 lone 2 49 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 60 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 58 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 58 - 4 - HD3 ARG 84 - HG LEU 86 lone 2 72 - 3 - HD2 ARG 84 - HG LEU 86 lone 2 70 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 2 97 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 2 97 - 2 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 52 - 3 - HD2 ARG 71 - HG LEU 86 lone 2 58 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 2 57 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 77 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 77 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 74 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 74 - 2 - HD3 ARG 27 - HG2 ARG 84 lone 1 55 - 2 - HD3 ARG 27 - HG3 ARG 84 lone 1 55 - 2 - HD2 ARG 27 - HG2 ARG 84 lone 1 55 - 2 - HD2 ARG 27 - HG3 ARG 84 lone 1 55 - 2 - HD3 ARG 84 - HG2 ARG 27 lone 1 75 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 74 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 73 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 71 - 2 - HD3 ARG 66 - HG LEU 86 lone 1 44 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 96 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 99 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 99 - 1 - HD2 ARG 66 - HG LEU 86 lone 1 40 - 2 - HD2 ARG 82 - HG3 ARG 70 lone 1 94 - 1 - HD2 ARG 82 - HG2 ARG 84 lone 1 52 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 1 52 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 74 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 73 - 1 - HD2 ARG 82 - HG LEU 86 lone 0 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 53 - 1 - HD3 ARG 66 - HG2 ARG 84 lone 0 31 - 1 - HD3 ARG 66 - HG3 ARG 84 lone 0 31 - 1 - HD2 ARG 66 - HG3 ARG 84 lone 0 28 - 1 - HD2 ARG 66 - HG2 ARG 84 lone 0 28 - 1 - Peak 1177 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 126 assignments used, quality = 1.00: * HD3 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 76 76 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 76 76 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 53 53 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 - 100 - 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 51 51 - 100 - 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 - 100 - 3.0=100 HD3 ARG 66 - HG3 ARG 70 OK 22 64 - 35 - ~2703=2, 3.0/2876=2...(13) HD2 ARG 66 - HG3 ARG 70 OK 20 58 - 35 - ~2703=2, 3.0/2876=2...(13) HD2 ARG 71 - HG2 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 26 - HG2 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD2 ARG 26 - HG3 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 1421/3.8=1 HD2 ARG 26 - HG3 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 1421/3.8=1 HD3 ARG 26 - HG2 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 13 69 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 71 - HG3 ARG 70 OK 11 81 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD3 ARG 23 - HG2 ARG 27 OK 10 81 - 13 - HD2 ARG 23 - HG2 ARG 27 OK 10 81 - 13 - HD3 ARG 23 - HG3 ARG 27 OK 10 79 - 13 - HD2 ARG 23 - HG3 ARG 27 OK 10 79 - 13 - HD2 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 71 - HG2 ARG 26 poor 9 43 - 22 - 3.0/2932=3, ~1394=2, 2937/3.7=1 HD2 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 84 - HG3 ARG 17 lone 7 97 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 7 97 - 8 - HD2 ARG 84 - HG3 ARG 17 lone 7 94 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 7 95 - 8 - HD3 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 71 - HG2 ARG 27 poor 7 61 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 17 - HG2 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG2 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG3 ARG 27 lone 6 80 - 7 - HD3 ARG 17 - HG3 ARG 27 lone 6 80 - 7 - HD2 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 66 - HG2 ARG 26 poor 5 32 - 17 - HD2 ARG 26 - HG3 ARG 70 lone 5 92 - 5 - HD2 ARG 66 - HG2 ARG 26 poor 5 29 - 17 - HD3 ARG 17 - HG2 ARG 84 lone 5 58 - 8 - HD3 ARG 17 - HG3 ARG 84 lone 5 58 - 8 - HD2 ARG 17 - HG2 ARG 84 lone 5 58 - 8 - HD2 ARG 17 - HG3 ARG 84 lone 5 58 - 8 - HD3 ARG 26 - HG3 ARG 70 lone 4 90 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 79 - 4 - HD2 ARG 17 - HG LEU 86 lone 3 79 - 4 - HD3 ARG 66 - HG2 ARG 27 lone 3 47 - 7 - HD2 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 66 - HG3 ARG 27 lone 3 46 - 7 - HD2 ARG 71 - HG3 ARG 84 lone 3 42 - 7 - HD2 ARG 71 - HG2 ARG 84 lone 3 42 - 7 - HD3 ARG 84 - HG3 ARG 70 lone 3 95 - 3 - HD2 ARG 66 - HG2 ARG 27 lone 3 42 - 7 - HD2 ARG 84 - HG3 ARG 70 lone 3 93 - 3 - HD2 ARG 66 - HG3 ARG 27 lone 3 41 - 7 - HD2 ARG 26 - HG LEU 86 lone 3 68 - 4 - HD3 ARG 26 - HG LEU 86 lone 3 67 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD2 ARG 26 - HG3 ARG 84 lone 3 50 - 5 - HD2 ARG 26 - HG2 ARG 84 lone 3 50 - 5 - HD3 ARG 26 - HG3 ARG 84 lone 2 49 - 5 - HD3 ARG 26 - HG2 ARG 84 lone 2 49 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 60 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 58 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 58 - 4 - HD3 ARG 84 - HG LEU 86 lone 2 72 - 3 - HD2 ARG 84 - HG LEU 86 lone 2 70 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 2 97 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 2 97 - 2 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 52 - 3 - HD2 ARG 71 - HG LEU 86 lone 2 58 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 2 57 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 2 57 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 77 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 77 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 74 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 74 - 2 - HD3 ARG 27 - HG2 ARG 84 lone 1 55 - 2 - HD3 ARG 27 - HG3 ARG 84 lone 1 55 - 2 - HD2 ARG 27 - HG2 ARG 84 lone 1 55 - 2 - HD2 ARG 27 - HG3 ARG 84 lone 1 55 - 2 - HD3 ARG 84 - HG2 ARG 27 lone 1 75 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 74 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 73 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 71 - 2 - HD3 ARG 66 - HG LEU 86 lone 1 44 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 96 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 99 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 99 - 1 - HD2 ARG 66 - HG LEU 86 lone 1 40 - 2 - HD2 ARG 82 - HG3 ARG 70 lone 1 94 - 1 - HD2 ARG 82 - HG2 ARG 84 lone 1 52 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 1 52 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 74 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 73 - 1 - HD2 ARG 82 - HG LEU 86 lone 0 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 53 - 1 - HD3 ARG 66 - HG2 ARG 84 lone 0 31 - 1 - HD3 ARG 66 - HG3 ARG 84 lone 0 31 - 1 - HD2 ARG 66 - HG3 ARG 84 lone 0 28 - 1 - HD2 ARG 66 - HG2 ARG 84 lone 0 28 - 1 - Peak 1179 from cnoeabs.peaks (4.28, 1.62, 27.10 ppm; 4.18 A): 3 out of 90 assignments used, quality = 1.00: * HA ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 4.0=100 HA ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 4.0=100 HA LEU 86 + HG LEU 86 OK 47 49 - 97 - 4.3=94, 3519/2.1=13...(16) HA ARG 17 - HG2 ARG 27 OK 25 83 - 30 - 1151=3, 1151/1.8=3...(12) HA ARG 17 - HG3 ARG 27 OK 25 82 - 30 - 1151=3, 1151/1.8=3...(12) HA LEU 64 - HG3 ARG 70 OK 21 84 - 25 - 2615/1.8=3, 4693/4.9=3...(12) HA LEU 86 - HG3 ARG 17 OK 16 73 - 21 - 3.0/860=2, 3515=2...(8) HA LEU 86 - HG2 ARG 17 OK 16 73 - 21 - 3.0/860=2, 3515=2...(7) HA ARG 17 - HG2 ARG 26 OK 15 60 - 25 - 1149/1.8=4, 1151=2...(8) HA LEU 64 - HG3 ARG 17 OK 14 87 - 16 - 484/5.0=3, 4822/5.0=2...(5) HA LEU 64 - HG2 ARG 17 OK 14 87 - 16 - 484/5.0=3, 4822/5.0=2...(5) HA LEU 64 - HG LEU 86 OK 13 60 - 21 - 2617/2.1=3, 2616/3.0=2...(8) HA ARG 17 - HG2 ARG 84 OK 11 56 - 20 - 1149/3.0=2, 1150=1...(5) HA ARG 17 - HG3 ARG 84 OK 11 56 - 20 - 1149/3.0=2, 1150=1...(5) HA THR 88 - HG2 ARG 27 OK 10 83 - 13 - 3587/3.8=4, 4035/5.0=4 HA THR 88 - HG3 ARG 27 OK 10 82 - 13 - 3587/3.8=4, 4035/5.0=4 HA ARG 17 - HG LEU 86 poor 9 76 - 12 - 1151/3.0=1, 1150=1 HA LYS 39 - HG LEU 86 poor 6 41 - 16 - ~5111=2, 1836/3.0=1, ~5110=1 HA ALA 20 - HG3 ARG 17 lone 6 89 - 7 - 3725/5.0=2, 3725/5.0=2...(4) HA ALA 20 - HG2 ARG 17 lone 6 89 - 7 - 3725/5.0=2, 3725/5.0=2...(4) HA THR 88 - HG3 ARG 17 lone 6 100 - 6 - 1155/2.9=1 HA THR 88 - HG2 ARG 17 lone 6 100 - 6 - 1155/2.9=1 HA GLU 19 - HG3 ARG 17 lone 6 81 - 8 - 4822/5.0=2, 1163/2.9=1 HA GLU 19 - HG2 ARG 17 lone 6 81 - 8 - 4822/5.0=2, 1163/2.9=1 HA LEU 86 - HG3 ARG 70 lone 6 71 - 8 - 3.6/396=1 HA LEU 86 - HG2 ARG 84 poor 5 34 - 15 - 3.0/860=2, ~387=1...(7) HA LEU 86 - HG3 ARG 84 poor 5 34 - 15 - 3.0/860=2, ~387=1...(7) HA THR 88 - HG LEU 86 lone 5 76 - 6 - ~4840=1 HA THR 88 - HG2 ARG 26 lone 4 60 - 7 - 5997/4.9=2, ~1390=1 HA LEU 64 - HG2 ARG 27 lone 4 66 - 6 - 3.9/5161=2 HA LEU 64 - HG3 ARG 27 lone 4 65 - 6 - 3.9/5161=2 HA LYS 39 - HG3 ARG 17 lone 3 63 - 5 - HA LYS 39 - HG2 ARG 17 lone 3 63 - 5 - HA SER 60 - HG2 ARG 17 lone 3 100 - 3 - HA SER 60 - HG3 ARG 17 lone 3 100 - 3 - HA ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HA LYS 39 - HG2 ARG 84 poor 3 28 - 11 - HA LYS 39 - HG3 ARG 84 poor 3 28 - 11 - HA ASP 38 - HG3 ARG 17 lone 3 100 - 3 - HA ASP 38 - HG2 ARG 17 lone 3 100 - 3 - HA LEU 86 - HG2 ARG 27 lone 2 54 - 4 - HA ASP 38 - HG LEU 86 lone 2 76 - 3 - HA ALA 12 - HG2 ARG 17 lone 2 83 - 3 - HA ALA 12 - HG3 ARG 17 lone 2 83 - 3 - HA LEU 86 - HG3 ARG 27 lone 2 53 - 4 - HA LEU 86 - HG2 ARG 26 lone 2 37 - 6 - HA ASP 38 - HG3 ARG 70 lone 2 99 - 2 - HA THR 88 - HG3 ARG 70 lone 2 99 - 2 - HA SER 60 - HG3 ARG 70 lone 2 99 - 2 - HA GLU 19 - HG2 ARG 27 lone 2 60 - 3 - HA SER 60 - HG LEU 86 lone 2 76 - 2 - HA GLU 19 - HG3 ARG 27 lone 2 59 - 3 - HA GLU 19 - HG2 ARG 26 lone 2 41 - 4 - HA ALA 12 - HG LEU 86 lone 2 56 - 3 - HA LYS 39 - HG2 ARG 27 lone 2 46 - 3 - HA LEU 64 - HG2 ARG 26 lone 2 46 - 3 - HA LYS 39 - HG3 ARG 27 lone 2 45 - 3 - HA LEU 64 - HG2 ARG 84 lone 1 43 - 3 - HA LEU 64 - HG3 ARG 84 lone 1 43 - 3 - HA SER 60 - HG2 ARG 27 lone 1 83 - 1 - HA SER 60 - HG3 ARG 27 lone 1 82 - 1 - HA LYS 39 - HG3 ARG 70 lone 1 60 - 2 - HA THR 88 - HG2 ARG 84 lone 1 56 - 2 - HA THR 88 - HG3 ARG 84 lone 1 56 - 2 - HA GLU 19 - HG3 ARG 70 lone 1 78 - 1 - HA ALA 20 - HG3 ARG 70 lone 1 86 - 1 - HA ASP 38 - HG2 ARG 27 lone 1 83 - 1 - HA ASP 38 - HG3 ARG 27 lone 1 82 - 1 - HA ASP 38 - HG2 ARG 26 lone 1 60 - 2 - HA ALA 12 - HG3 ARG 70 lone 1 80 - 1 - HA GLU 19 - HG LEU 86 lone 1 55 - 2 - HA ALA 20 - HG2 ARG 27 lone 1 68 - 1 - HA ALA 20 - HG3 ARG 27 lone 1 67 - 1 - HA ASP 38 - HG2 ARG 84 lone 1 56 - 1 - HA ASP 38 - HG3 ARG 84 lone 1 56 - 1 - HA ALA 12 - HG2 ARG 27 lone 1 62 - 1 - HA ALA 12 - HG3 ARG 27 lone 1 61 - 1 - HA SER 60 - HG3 ARG 84 lone 1 56 - 1 - HA SER 60 - HG2 ARG 84 lone 1 56 - 1 - HA GLU 19 - HG2 ARG 84 lone 1 39 - 2 - HA GLU 19 - HG3 ARG 84 lone 1 39 - 2 - HA ALA 20 - HG LEU 86 lone 1 62 - 1 - HA SER 60 - HG2 ARG 26 lone 1 60 - 1 - HA ALA 20 - HG2 ARG 26 lone 1 47 - 1 - HA ALA 12 - HG2 ARG 26 lone 1 43 - 1 - HA LYS 39 - HG2 ARG 26 lone 1 31 - 2 - HA ALA 12 - HG2 ARG 84 lone 1 40 - 1 - HA ALA 12 - HG3 ARG 84 lone 1 40 - 1 - HA ALA 20 - HG3 ARG 84 lone 1 44 - 1 - HA ALA 20 - HG2 ARG 84 lone 1 44 - 1 - Peak 1180 from cnoeabs.peaks (1.84, 1.62, 27.10 ppm; 2.71 A): 6 out of 99 assignments used, quality = 1.00: * HB2 ARG 17 + HG3 ARG 17 OK 87 100 - 87 - 2.9=79, 1.8/1167=6...(13) HB2 ARG 17 + HG2 ARG 17 OK 87 100 - 87 - 2.9=79, 1.8/1167=6...(13) HB2 ARG 27 + HG2 ARG 27 OK 66 74 - 89 - 2.9=82, 3.0/1418=4...(14) HB2 ARG 27 + HG3 ARG 27 OK 65 73 - 89 - 2.9=82, 3.0/1418=4...(14) HB3 ARG 27 + HG2 ARG 27 OK 65 73 - 89 - 2.9=82, 3.0/1418=4...(14) HB3 ARG 27 + HG3 ARG 27 OK 63 71 - 89 - 2.9=82, 3.0/1418=4...(14) HB2 ARG 71 - HG2 ARG 17 OK 22 94 - 24 - 2.8/2932=2, 1164/2.9=2...(4) HB2 ARG 71 - HG3 ARG 17 OK 22 95 - 24 - 2.8/2932=2, 1164/2.9=2...(4) HB3 ARG 71 - HG2 ARG 17 OK 22 93 - 24 - 2.8/2932=2, 1164/2.9=1...(4) HB3 ARG 71 - HG3 ARG 17 OK 22 93 - 24 - 2.8/2932=2, 1164/2.9=1...(4) HB2 ARG 71 - HG2 ARG 26 OK 16 52 - 31 - 2.8/2932=2, ~1391=2...(9) HB3 ARG 71 - HG2 ARG 26 OK 15 51 - 31 - 2.8/2932=2, ~1391=2...(9) HB2 ARG 71 - HG3 ARG 70 OK 13 92 - 14 - 776/5.0=2, 2.8/2932=1...(4) HB3 ARG 71 - HG3 ARG 70 OK 13 91 - 14 - 776/5.0=2, 2.8/2932=1...(4) HB2 ARG 27 - HG2 ARG 17 OK 11 94 - 11 - HB2 ARG 27 - HG3 ARG 17 OK 11 95 - 11 - HB3 ARG 27 - HG2 ARG 17 OK 11 93 - 11 - HB3 ARG 27 - HG3 ARG 17 OK 11 93 - 11 - HB ILE 89 - HG LEU 86 OK 11 63 - 17 - 3607/2.1=2, ~4840=2...(4) HB2 ARG 71 - HG2 ARG 27 OK 10 74 - 14 - 2.8/2932=1 HB2 ARG 71 - HG3 ARG 27 OK 10 73 - 14 - 2.8/2932=1 HB3 ARG 71 - HG2 ARG 27 OK 10 73 - 14 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 27 OK 10 71 - 14 - 2.8/2932=1 HB2 ARG 27 - HG2 ARG 26 poor 10 52 - 19 - 3.0/1418=2, 4.1/64=2 HB2 ARG 17 - HG2 ARG 27 poor 9 83 - 11 - HB2 ARG 17 - HG3 ARG 27 poor 9 82 - 11 - HB3 ARG 27 - HG2 ARG 26 poor 9 51 - 19 - 3.0/1418=2, 4.1/64=2 HB2 ARG 23 - HG2 ARG 27 poor 9 81 - 11 - HB3 ARG 23 - HG2 ARG 27 poor 8 80 - 11 - HB2 ARG 23 - HG3 ARG 27 poor 8 79 - 11 - HB3 ARG 23 - HG3 ARG 27 poor 8 78 - 11 - HB2 LYS 39 - HG LEU 86 poor 7 65 - 11 - 5111/2.1=1, ~5206=1 HB2 ARG 17 - HG2 ARG 26 poor 7 60 - 11 - 1157/1.8=1 HB2 ARG 23 - HG2 ARG 17 lone 5 99 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 5 99 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 5 99 - 5 - HB3 ARG 23 - HG3 ARG 17 lone 5 99 - 5 - HB2 LYS 73 - HG3 ARG 84 poor 5 44 - 11 - HB2 LYS 73 - HG2 ARG 84 poor 5 44 - 11 - HB2 ARG 17 - HG2 ARG 84 lone 5 56 - 8 - HB2 ARG 17 - HG3 ARG 84 lone 5 56 - 8 - HB2 ARG 17 - HG LEU 86 lone 5 76 - 6 - HB2 LYS 73 - HG3 ARG 70 lone 4 86 - 5 - 5061/4.0=2 HB2 LYS 75 - HG3 ARG 70 lone 4 99 - 4 - 5061/4.0=1 HB2 ARG 71 - HG3 ARG 84 lone 4 49 - 8 - HB2 ARG 71 - HG2 ARG 84 lone 4 49 - 8 - HB3 ARG 71 - HG3 ARG 84 lone 4 48 - 8 - HB3 ARG 71 - HG2 ARG 84 lone 4 48 - 8 - HB2 LYS 73 - HG3 ARG 17 lone 3 89 - 4 - HB2 LYS 73 - HG2 ARG 17 lone 3 89 - 4 - HB ILE 89 - HG3 ARG 84 lone 3 45 - 7 - 3605/3.9=1 HB ILE 89 - HG2 ARG 84 lone 3 45 - 7 - 3605/3.9=1 HB2 LYS 73 - HG LEU 86 lone 3 62 - 5 - HB ILE 89 - HG2 ARG 27 lone 3 70 - 4 - 3604/5.0=1 HB ILE 89 - HG3 ARG 27 lone 3 68 - 4 - 3604/5.0=1 HB2 ARG 71 - HG LEU 86 lone 3 68 - 4 - HB ILE 89 - HG3 ARG 17 lone 3 90 - 3 - HB ILE 89 - HG2 ARG 17 lone 3 90 - 3 - HB3 ARG 71 - HG LEU 86 lone 3 66 - 4 - HB2 ARG 17 - HG3 ARG 70 lone 2 99 - 2 - HB2 LYS 39 - HG3 ARG 17 lone 2 92 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 2 92 - 2 - HB2 LYS 39 - HG2 ARG 84 lone 2 47 - 5 - HB2 LYS 39 - HG3 ARG 84 lone 2 47 - 5 - HB2 ARG 27 - HG3 ARG 70 lone 2 92 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 91 - 2 - HB2 ARG 23 - HG2 ARG 26 lone 2 57 - 3 - HB3 ARG 23 - HG2 ARG 26 lone 2 57 - 3 - HB2 LYS 75 - HG2 ARG 84 lone 1 56 - 3 - HB2 LYS 75 - HG3 ARG 84 lone 1 56 - 3 - HB2 LYS 75 - HG2 ARG 17 lone 1 100 - 1 - HB2 LYS 75 - HG3 ARG 17 lone 1 100 - 1 - HB2 LYS 75 - HG LEU 86 lone 1 76 - 2 - HB2 ARG 27 - HG LEU 86 lone 1 68 - 2 - HB3 ARG 27 - HG LEU 86 lone 1 66 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 71 - 1 - HB2 LYS 39 - HG3 ARG 27 lone 1 70 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 89 - 1 - HB2 ARG 23 - HG LEU 86 lone 1 74 - 1 - HB3 ARG 23 - HG LEU 86 lone 1 73 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 83 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 97 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 97 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 81 - 1 - HB2 LYS 73 - HG2 ARG 27 lone 1 68 - 1 - HB2 LYS 73 - HG3 ARG 27 lone 1 67 - 1 - HB2 ARG 27 - HG2 ARG 84 lone 1 49 - 1 - HB2 ARG 27 - HG3 ARG 84 lone 1 49 - 1 - HB3 ARG 27 - HG3 ARG 84 lone 1 48 - 1 - HB3 ARG 27 - HG2 ARG 84 lone 1 48 - 1 - HB2 LYS 73 - HG2 ARG 26 lone 1 47 - 1 - HB ILE 89 - HG2 ARG 26 lone 1 48 - 1 - HB2 ARG 23 - HG3 ARG 84 lone 1 54 - 1 - HB2 ARG 23 - HG2 ARG 84 lone 1 54 - 1 - HB3 ARG 23 - HG3 ARG 84 lone 1 53 - 1 - HB3 ARG 23 - HG2 ARG 84 lone 1 53 - 1 - HB ILE 89 - HG3 ARG 70 lone 1 88 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 59 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 0 50 - 1 - Peak 1181 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 3 out of 144 assignments used, quality = 0.96: * HB3 ARG 17 + HG3 ARG 17 OK 67 100 - 67 - 2.9=55, 1167/1.8=5...(9) HB3 ARG 17 + HG2 ARG 17 OK 67 100 - 67 - 2.9=55, 1167/1.8=5...(9) HG3 ARG 26 + HG2 ARG 26 OK 59 59 - 100 - 1.8=100 HB2 ARG 84 - HG2 ARG 84 OK 29 44 - 66 - 3.0=54, 3380/1.8=5...(11) HB2 ARG 84 - HG3 ARG 84 OK 29 44 - 66 - 3.0=54, 3380/1.8=5...(11) HG3 ARG 71 - HG3 ARG 17 OK 19 99 - 20 - 2932=3, 2932/1.8=2...(6) HG3 ARG 71 - HG2 ARG 17 OK 19 99 - 20 - 2932=3, 2932/1.8=2...(6) HB2 LEU 62 - HG LEU 86 OK 16 76 - 21 - 2577/2.1=3, 2574=2, 2575/3.0=2 HG3 ARG 71 - HG2 ARG 26 OK 13 57 - 24 - 2932=4, 2929/3.7=2...(6) HG3 ARG 71 - HG3 ARG 70 OK 13 97 - 13 - 2928/5.0=3, 2932=2, ~2869=1 HB2 LEU 29 - HG LEU 86 OK 13 43 - 30 - 1488/2.1=2, 1489/2.1=2...(7) HG3 ARG 26 - HG2 ARG 17 OK 11 100 - 11 - 1394=2, 1394/1.8=2 HG3 ARG 26 - HG3 ARG 17 OK 11 100 - 11 - 1394=2, 1394/1.8=2 HG3 ARG 26 - HG2 ARG 27 OK 11 82 - 14 - 1394=3, 1394/1.8=2, 65/5.0=1 HG3 ARG 26 - HG3 ARG 27 OK 11 81 - 14 - 1394=3, 1394/1.8=2, 65/5.0=1 HG3 ARG 71 - HG2 ARG 27 poor 9 80 - 11 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HG3 ARG 27 poor 8 78 - 11 - 2932=2, 2932/1.8=1 HB3 ARG 17 - HG2 ARG 27 lone 8 83 - 9 - HB3 ARG 17 - HG3 ARG 27 lone 7 82 - 9 - HB2 ARG 84 - HG3 ARG 17 lone 5 89 - 6 - HG3 ARG 26 - HG3 ARG 70 lone 5 98 - 5 - 1390/5.0=1 HB3 ARG 17 - HG2 ARG 26 lone 5 60 - 8 - HB2 ARG 84 - HG2 ARG 17 lone 5 89 - 5 - HG3 ARG 71 - HG3 ARG 84 lone 4 53 - 7 - HG3 ARG 71 - HG2 ARG 84 lone 4 53 - 7 - HB3 ARG 17 - HG3 ARG 84 lone 3 56 - 6 - HB3 ARG 17 - HG2 ARG 84 lone 3 56 - 6 - HB3 ARG 17 - HG LEU 86 lone 3 76 - 4 - HB2 LEU 62 - HG3 ARG 70 lone 3 99 - 3 - HB2 LEU 29 - HG2 ARG 84 lone 3 30 - 10 - HB2 LEU 29 - HG3 ARG 84 lone 3 30 - 10 - HG2 PRO 34 - HG2 ARG 26 lone 3 48 - 6 - HB3 LYS 85 - HG3 ARG 84 lone 3 39 - 7 - 3385/3.0=1, 6062/3.9=1 HB3 LYS 85 - HG2 ARG 84 lone 3 39 - 7 - 3385/3.0=1, 6062/3.9=1 HB3 LYS 32 - HG3 ARG 70 lone 3 55 - 5 - HB2 LYS 32 - HG3 ARG 70 lone 3 55 - 5 - HB2 LEU 62 - HG2 ARG 26 lone 3 59 - 4 - HB2 LEU 43 - HG LEU 86 lone 2 58 - 4 - HB2 LEU 62 - HG2 ARG 84 lone 2 56 - 4 - HB2 LEU 62 - HG3 ARG 84 lone 2 56 - 4 - HB2 LEU 62 - HG3 ARG 17 lone 2 100 - 2 - HB2 LEU 62 - HG2 ARG 17 lone 2 100 - 2 - HB3 ARG 17 - HG3 ARG 70 lone 2 99 - 2 - HB2 LEU 29 - HG3 ARG 70 lone 2 63 - 3 - HG3 ARG 26 - HG LEU 86 lone 2 75 - 3 - HB3 LYS 85 - HG LEU 86 lone 2 55 - 4 - 4.6/860=1 HB2 LEU 57 - HG3 ARG 70 lone 2 73 - 3 - HB2 ARG 84 - HG3 ARG 70 lone 2 86 - 2 - HB2 ARG 84 - HG LEU 86 lone 2 62 - 3 - HG2 PRO 34 - HG2 ARG 27 lone 2 70 - 3 - HG2 PRO 34 - HG3 ARG 27 lone 2 68 - 3 - HG3 ARG 71 - HG LEU 86 lone 2 73 - 2 - HB3 LYS 32 - HG3 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HG3 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HG2 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HG2 ARG 17 lone 2 57 - 3 - HB2 ARG 54 - HG LEU 86 lone 2 53 - 3 - HB3 LYS 83 - HG3 ARG 84 lone 1 31 - 5 - HB3 LYS 83 - HG2 ARG 84 lone 1 31 - 5 - HG3 ARG 26 - HG2 ARG 84 lone 1 55 - 2 - HG3 ARG 26 - HG3 ARG 84 lone 1 55 - 2 - HB3 LYS 85 - HG3 ARG 70 lone 1 78 - 2 - HB3 LYS 85 - HG3 ARG 17 lone 1 81 - 2 - HB3 LYS 85 - HG2 ARG 17 lone 1 81 - 2 - HB2 LEU 43 - HG3 ARG 70 lone 1 82 - 1 - HB2 ARG 54 - HG3 ARG 70 lone 1 76 - 1 - HB2 ARG 84 - HG2 ARG 27 lone 1 68 - 2 - HB2 ARG 84 - HG3 ARG 27 lone 1 67 - 1 - HG2 PRO 34 - HG LEU 86 lone 1 63 - 2 - HB2 LEU 29 - HG3 ARG 17 lone 1 65 - 1 - HB2 LEU 29 - HG2 ARG 17 lone 1 65 - 1 - HB3 ARG 82 - HG3 ARG 17 lone 1 78 - 1 - HB3 ARG 82 - HG2 ARG 17 lone 1 78 - 1 - HB2 ARG 84 - HG2 ARG 26 lone 1 47 - 2 - HB2 LYS 32 - HG3 ARG 84 lone 1 26 - 4 - HB2 LYS 32 - HG2 ARG 84 lone 1 26 - 4 - HB3 LYS 32 - HG3 ARG 84 lone 1 26 - 4 - HB3 LYS 32 - HG2 ARG 84 lone 1 26 - 4 - HB2 LEU 57 - HG LEU 86 lone 1 51 - 2 - HB3 ARG 82 - HG3 ARG 84 lone 1 37 - 2 - HB3 ARG 82 - HG2 ARG 84 lone 1 37 - 2 - HB2 LEU 43 - HG3 ARG 84 lone 1 41 - 2 - HB2 LEU 43 - HG2 ARG 84 lone 1 41 - 2 - HB2 LEU 29 - HG2 ARG 26 lone 1 32 - 2 - HG2 PRO 34 - HG3 ARG 17 lone 1 90 - 1 - HG2 PRO 34 - HG2 ARG 17 lone 1 90 - 1 - HB2 LEU 62 - HG2 ARG 27 lone 1 83 - 1 - HB2 LEU 62 - HG3 ARG 27 lone 1 81 - 1 - HB3 LYS 32 - HG LEU 86 lone 1 37 - 2 - HB2 LYS 32 - HG LEU 86 lone 1 37 - 2 - HB3 ARG 82 - HG3 ARG 70 lone 1 76 - 1 - HB3 LYS 32 - HG2 ARG 27 lone 1 41 - 2 - HB2 LYS 32 - HG2 ARG 27 lone 1 41 - 2 - HB2 LYS 32 - HG3 ARG 27 lone 1 40 - 2 - HB3 LYS 32 - HG3 ARG 27 lone 1 40 - 2 - HB2 ARG 54 - HG2 ARG 17 lone 1 78 - 1 - HB2 ARG 54 - HG3 ARG 17 lone 1 78 - 1 - HB2 LEU 43 - HG2 ARG 17 lone 1 85 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 1 85 - 1 - HB2 LYS 32 - HG2 ARG 26 lone 1 27 - 2 - HB3 LYS 32 - HG2 ARG 26 lone 1 27 - 2 - HB ILE 33 - HG LEU 86 lone 1 47 - 1 - HB3 LYS 83 - HG2 ARG 17 lone 1 68 - 1 - HB2 ARG 54 - HG2 ARG 84 lone 1 37 - 1 - HB2 ARG 54 - HG3 ARG 84 lone 1 37 - 1 - HG2 PRO 34 - HG3 ARG 70 lone 0 88 - 1 - HB3 LYS 83 - HG3 ARG 70 lone 1 66 - 1 - HB3 LYS 83 - HG LEU 86 lone 1 45 - 1 - HB2 LEU 29 - HG2 ARG 27 lone 1 48 - 1 - HB3 LYS 83 - HG3 ARG 17 lone 0 68 - 1 - HB2 LEU 43 - HG2 ARG 27 lone 0 64 - 1 - HB2 LEU 29 - HG3 ARG 27 lone 0 47 - 1 - HB2 LEU 43 - HG3 ARG 27 lone 0 63 - 1 - HB2 LEU 43 - HG2 ARG 26 lone 0 44 - 1 - HB2 LEU 57 - HG3 ARG 17 lone 0 76 - 1 - HB2 LEU 57 - HG2 ARG 17 lone 0 76 - 1 - HG2 PRO 34 - HG3 ARG 84 lone 0 45 - 1 - HG2 PRO 34 - HG2 ARG 84 lone 0 45 - 1 - HB2 LEU 57 - HG2 ARG 27 lone 0 56 - 1 - HB3 ARG 82 - HG2 ARG 27 lone 0 58 - 1 - HB3 ARG 82 - HG LEU 86 lone 0 53 - 1 - HB2 LEU 57 - HG3 ARG 27 lone 0 55 - 1 - HB3 ARG 82 - HG3 ARG 27 lone 0 57 - 1 - HB2 LEU 57 - HG2 ARG 26 lone 0 38 - 1 - HB3 LYS 85 - HG2 ARG 27 lone 0 60 - 1 - HB3 LYS 85 - HG3 ARG 27 lone 0 59 - 1 - HB ILE 33 - HG3 ARG 70 lone 0 68 - 0 - HB ILE 33 - HG3 ARG 17 lone 0 71 - 0 - HB ILE 33 - HG2 ARG 17 lone 0 71 - 0 - HB3 ARG 82 - HG2 ARG 26 lone 0 40 - 1 - HB2 ARG 54 - HG2 ARG 27 lone 0 58 - 0 - HB3 LYS 85 - HG2 ARG 26 lone 0 41 - 1 - HB2 ARG 54 - HG3 ARG 27 lone 0 57 - 0 - HB ILE 33 - HG2 ARG 27 lone 0 52 - 0 - HB ILE 33 - HG3 ARG 27 lone 0 51 - 0 - HB2 ARG 54 - HG2 ARG 26 lone 0 40 - 1 - HB ILE 33 - HG2 ARG 26 lone 0 35 - 1 - HB3 LYS 83 - HG2 ARG 27 lone 0 50 - 0 - HB3 LYS 83 - HG3 ARG 27 lone 0 49 - 0 - HB2 LEU 57 - HG2 ARG 84 lone 0 36 - 0 - HB2 LEU 57 - HG3 ARG 84 lone 0 36 - 0 - HB3 LYS 83 - HG2 ARG 26 lone 0 34 - 0 - HB ILE 33 - HG3 ARG 84 lone 0 33 - 0 - HB ILE 33 - HG2 ARG 84 lone 0 33 - 0 - Peak 1182 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: HG3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 HG2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 HG3 ARG 70 + HG3 ARG 70 OK 98 98 - 100 HG2 ARG 27 + HG2 ARG 27 OK 74 74 - 100 HG3 ARG 27 + HG3 ARG 27 OK 71 71 - 100 HG2 ARG 26 + HG2 ARG 26 OK 59 59 - 100 HG LEU 86 + HG LEU 86 OK 56 56 - 100 HG3 ARG 84 - HG3 ARG 84 OK 33 33 - 100 HG2 ARG 84 - HG2 ARG 84 OK 33 33 - 100 Reference assignment not found: HG2 ARG 17 - HG3 ARG 17 Peak 1183 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: * HG3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 HG2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 HG3 ARG 70 + HG3 ARG 70 OK 97 97 - 100 HG2 ARG 27 + HG2 ARG 27 OK 76 76 - 100 HG3 ARG 27 + HG3 ARG 27 OK 73 73 - 100 HG2 ARG 26 + HG2 ARG 26 OK 60 60 - 100 HG LEU 86 + HG LEU 86 OK 55 55 - 100 HG3 ARG 84 - HG3 ARG 84 OK 31 31 - 100 HG2 ARG 84 - HG2 ARG 84 OK 31 31 - 100 Peak 1184 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 126 assignments used, quality = 1.00: HD3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 * HD2 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 79 79 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 51 51 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 - 100 - 2.9=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 - 100 - 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 49 49 - 100 - 2.9=100 HD3 ARG 66 - HG3 ARG 70 OK 22 63 - 35 - ~2703=2, 3.0/2876=2...(12) HD2 ARG 66 - HG3 ARG 70 OK 20 58 - 35 - ~2703=2, 3.0/2876=2...(12) HD2 ARG 71 - HG3 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 26 - HG3 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 27 OK 14 73 - 20 - 3.0/1394=2, 1420/3.8=1 HD2 ARG 26 - HG3 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 1421/3.8=1 HD3 ARG 26 - HG2 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 23 - HG2 ARG 27 OK 11 82 - 13 - HD3 ARG 23 - HG2 ARG 27 OK 11 82 - 13 - HD2 ARG 71 - HG3 ARG 70 OK 11 80 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD3 ARG 23 - HG3 ARG 27 OK 10 81 - 13 - HD2 ARG 23 - HG3 ARG 27 OK 10 81 - 13 - HD3 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 71 - HG2 ARG 26 poor 9 43 - 22 - 3.0/2932=3, ~1394=2, 2937/3.7=1 HD3 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 84 - HG3 ARG 17 lone 7 97 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 7 97 - 8 - HD2 ARG 84 - HG3 ARG 17 lone 7 95 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 7 94 - 8 - HD2 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD3 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 71 - HG2 ARG 27 poor 7 62 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 61 - 11 - 3.0/2932=1 HD2 ARG 17 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 17 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 17 - HG3 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG3 ARG 27 lone 6 82 - 7 - HD3 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD2 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 66 - HG2 ARG 26 poor 5 32 - 17 - HD2 ARG 26 - HG3 ARG 70 lone 5 91 - 5 - HD2 ARG 66 - HG2 ARG 26 poor 5 29 - 17 - HD3 ARG 17 - HG3 ARG 84 lone 5 56 - 8 - HD3 ARG 17 - HG2 ARG 84 lone 5 56 - 8 - HD2 ARG 17 - HG3 ARG 84 lone 5 56 - 8 - HD2 ARG 17 - HG2 ARG 84 lone 5 56 - 8 - HD3 ARG 26 - HG3 ARG 70 lone 4 89 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 76 - 4 - HD2 ARG 17 - HG LEU 86 lone 3 76 - 4 - HD3 ARG 66 - HG2 ARG 27 lone 3 48 - 7 - HD3 ARG 66 - HG3 ARG 27 lone 3 47 - 7 - HD2 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD2 ARG 66 - HG2 ARG 27 lone 3 43 - 7 - HD3 ARG 84 - HG3 ARG 70 lone 3 94 - 3 - HD2 ARG 66 - HG3 ARG 27 lone 3 42 - 7 - HD2 ARG 84 - HG3 ARG 70 lone 3 92 - 3 - HD2 ARG 71 - HG2 ARG 84 lone 3 40 - 7 - HD2 ARG 71 - HG3 ARG 84 lone 3 40 - 7 - HD2 ARG 26 - HG LEU 86 lone 3 66 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD3 ARG 26 - HG LEU 86 lone 3 65 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD2 ARG 26 - HG2 ARG 84 lone 2 48 - 5 - HD2 ARG 26 - HG3 ARG 84 lone 2 48 - 5 - HD3 ARG 26 - HG3 ARG 84 lone 2 47 - 5 - HD3 ARG 26 - HG2 ARG 84 lone 2 47 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 60 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 59 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 59 - 4 - HD3 ARG 84 - HG LEU 86 lone 2 70 - 3 - HD2 ARG 84 - HG LEU 86 lone 2 68 - 3 - HD3 ARG 27 - HG3 ARG 70 lone 2 96 - 2 - HD2 ARG 27 - HG3 ARG 70 lone 2 96 - 2 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 52 - 3 - HD2 ARG 71 - HG LEU 86 lone 2 56 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 1 55 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 75 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 75 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 72 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 72 - 2 - HD3 ARG 27 - HG2 ARG 84 lone 1 53 - 2 - HD3 ARG 27 - HG3 ARG 84 lone 1 53 - 2 - HD2 ARG 27 - HG2 ARG 84 lone 1 53 - 2 - HD2 ARG 27 - HG3 ARG 84 lone 1 53 - 2 - HD3 ARG 84 - HG2 ARG 27 lone 1 77 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 75 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 74 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 73 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 96 - 1 - HD3 ARG 66 - HG LEU 86 lone 1 43 - 2 - HD3 ARG 23 - HG3 ARG 70 lone 1 98 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 98 - 1 - HD2 ARG 66 - HG LEU 86 lone 1 39 - 2 - HD2 ARG 82 - HG3 ARG 70 lone 1 93 - 1 - HD2 ARG 82 - HG2 ARG 84 lone 1 50 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 1 50 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 76 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 74 - 1 - HD2 ARG 82 - HG LEU 86 lone 0 69 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 53 - 1 - HD3 ARG 66 - HG2 ARG 84 lone 0 30 - 1 - HD3 ARG 66 - HG3 ARG 84 lone 0 30 - 1 - HD2 ARG 66 - HG3 ARG 84 lone 0 27 - 1 - HD2 ARG 66 - HG2 ARG 84 lone 0 27 - 1 - Peak 1185 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 126 assignments used, quality = 1.00: * HD3 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 79 79 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 78 78 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 51 51 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 - 100 - 2.9=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 - 100 - 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 49 49 - 100 - 2.9=100 HD3 ARG 66 - HG3 ARG 70 OK 22 63 - 35 - ~2703=2, 3.0/2876=2...(12) HD2 ARG 66 - HG3 ARG 70 OK 20 58 - 35 - ~2703=2, 3.0/2876=2...(12) HD2 ARG 71 - HG3 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 OK 16 83 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 26 - HG3 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 17 OK 16 93 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 15 92 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 27 OK 14 73 - 20 - 3.0/1394=2, 1420/3.8=1 HD2 ARG 26 - HG3 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 1421/3.8=1 HD3 ARG 26 - HG2 ARG 27 OK 14 71 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 14 70 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 23 - HG2 ARG 27 OK 11 82 - 13 - HD3 ARG 23 - HG2 ARG 27 OK 11 82 - 13 - HD2 ARG 71 - HG3 ARG 70 OK 11 80 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD3 ARG 23 - HG3 ARG 27 OK 10 81 - 13 - HD2 ARG 23 - HG3 ARG 27 OK 10 81 - 13 - HD3 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 10 98 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 10 98 - 10 - HD2 ARG 71 - HG2 ARG 26 poor 9 43 - 22 - 3.0/2932=3, ~1394=2, 2937/3.7=1 HD3 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 8 100 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 8 100 - 8 - HD3 ARG 84 - HG3 ARG 17 lone 7 97 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 7 97 - 8 - HD2 ARG 84 - HG3 ARG 17 lone 7 95 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 7 94 - 8 - HD2 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD3 ARG 27 - HG2 ARG 26 poor 7 56 - 13 - HD2 ARG 71 - HG2 ARG 27 poor 7 62 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 61 - 11 - 3.0/2932=1 HD2 ARG 17 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 17 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 17 - HG3 ARG 27 lone 6 82 - 7 - HD2 ARG 17 - HG3 ARG 27 lone 6 82 - 7 - HD3 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD2 ARG 17 - HG2 ARG 26 poor 6 60 - 10 - HD3 ARG 66 - HG2 ARG 26 poor 5 32 - 17 - HD2 ARG 26 - HG3 ARG 70 lone 5 91 - 5 - HD2 ARG 66 - HG2 ARG 26 poor 5 29 - 17 - HD3 ARG 17 - HG3 ARG 84 lone 5 56 - 8 - HD3 ARG 17 - HG2 ARG 84 lone 5 56 - 8 - HD2 ARG 17 - HG3 ARG 84 lone 5 56 - 8 - HD2 ARG 17 - HG2 ARG 84 lone 5 56 - 8 - HD3 ARG 26 - HG3 ARG 70 lone 4 89 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 76 - 4 - HD2 ARG 17 - HG LEU 86 lone 3 76 - 4 - HD3 ARG 66 - HG2 ARG 27 lone 3 48 - 7 - HD3 ARG 66 - HG3 ARG 27 lone 3 47 - 7 - HD2 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 3 99 - 3 - HD2 ARG 66 - HG2 ARG 27 lone 3 43 - 7 - HD3 ARG 84 - HG3 ARG 70 lone 3 94 - 3 - HD2 ARG 66 - HG3 ARG 27 lone 3 42 - 7 - HD2 ARG 84 - HG3 ARG 70 lone 3 92 - 3 - HD2 ARG 71 - HG2 ARG 84 lone 3 40 - 7 - HD2 ARG 71 - HG3 ARG 84 lone 3 40 - 7 - HD2 ARG 26 - HG LEU 86 lone 3 66 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD3 ARG 26 - HG LEU 86 lone 3 65 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD2 ARG 26 - HG2 ARG 84 lone 2 48 - 5 - HD2 ARG 26 - HG3 ARG 84 lone 2 48 - 5 - HD3 ARG 26 - HG3 ARG 84 lone 2 47 - 5 - HD3 ARG 26 - HG2 ARG 84 lone 2 47 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 60 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 59 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 59 - 4 - HD3 ARG 84 - HG LEU 86 lone 2 70 - 3 - HD2 ARG 84 - HG LEU 86 lone 2 68 - 3 - HD3 ARG 27 - HG3 ARG 70 lone 2 96 - 2 - HD2 ARG 27 - HG3 ARG 70 lone 2 96 - 2 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 52 - 3 - HD2 ARG 71 - HG LEU 86 lone 2 56 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 1 55 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 1 55 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 75 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 75 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 72 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 72 - 2 - HD3 ARG 27 - HG2 ARG 84 lone 1 53 - 2 - HD3 ARG 27 - HG3 ARG 84 lone 1 53 - 2 - HD2 ARG 27 - HG2 ARG 84 lone 1 53 - 2 - HD2 ARG 27 - HG3 ARG 84 lone 1 53 - 2 - HD3 ARG 84 - HG2 ARG 27 lone 1 77 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 75 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 74 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 73 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 96 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 96 - 1 - HD3 ARG 66 - HG LEU 86 lone 1 43 - 2 - HD3 ARG 23 - HG3 ARG 70 lone 1 98 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 98 - 1 - HD2 ARG 66 - HG LEU 86 lone 1 39 - 2 - HD2 ARG 82 - HG3 ARG 70 lone 1 93 - 1 - HD2 ARG 82 - HG2 ARG 84 lone 1 50 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 1 50 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 76 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 74 - 1 - HD2 ARG 82 - HG LEU 86 lone 0 69 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 53 - 1 - HD3 ARG 66 - HG2 ARG 84 lone 0 30 - 1 - HD3 ARG 66 - HG3 ARG 84 lone 0 30 - 1 - HD2 ARG 66 - HG3 ARG 84 lone 0 27 - 1 - HD2 ARG 66 - HG2 ARG 84 lone 0 27 - 1 - Peak 1187 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.59 A): 2 out of 140 assignments used, quality = 1.00: HA ARG 17 + HD3 ARG 17 OK 94 100 - 94 - 5.0=78, 1151/3.0=10...(42) * HA ARG 17 + HD2 ARG 17 OK 94 100 - 94 - 5.0=78, 1151/3.0=10...(42) HA ARG 17 - HD2 ARG 71 OK 34 83 - 41 - 1149/3.0=7, 1148/3.5=5...(14) HA ARG 17 - HD2 ARG 26 OK 32 93 - 34 - 1149/3.0=4, 1152=3...(9) HA ARG 17 - HD2 ARG 27 OK 31 98 - 32 - 1152=3, 1153/1.8=3...(12) HA ARG 17 - HD3 ARG 27 OK 31 98 - 32 - 1152=3, 1153/1.8=3...(12) HA ARG 17 - HD3 ARG 26 OK 31 92 - 34 - 1149/3.0=4, 1152=3...(9) HA LEU 64 - HD2 ARG 23 OK 28 86 - 33 - 3.9/5019=5, 2616/2.9=5...(13) HA LEU 64 - HD3 ARG 23 OK 28 86 - 33 - 3.9/5019=5, 2616/2.9=5...(13) HA ARG 17 - HD3 ARG 84 OK 21 97 - 22 - 1152=2, 1149/3.5=2...(5) HA ARG 17 - HD2 ARG 84 OK 21 95 - 22 - 1152=2, 1153/1.8=2...(5) HA ARG 17 - HD3 ARG 23 OK 20 100 - 20 - 1152=2, 1152/1.8=2...(4) HA ARG 17 - HD2 ARG 23 OK 20 100 - 20 - 1152=2, 1152/1.8=2...(4) HA LEU 64 - HD2 ARG 82 OK 13 75 - 18 - 2616/3.0=3, 2615/3.6=2...(8) HA LEU 64 - HD2 ARG 17 OK 13 87 - 15 - 484/5.6=4, 1155/3.6=2...(4) HA LEU 64 - HD3 ARG 17 OK 13 87 - 15 - 484/5.6=4, 1155/3.6=2...(4) HA LEU 86 - HD3 ARG 17 OK 11 73 - 15 - 1163/3.6=2, 1155/3.6=2...(6) HA LEU 86 - HD2 ARG 17 OK 11 73 - 15 - 1163/3.6=2, 1155/3.6=2...(6) HA LYS 39 - HD3 ARG 23 OK 10 62 - 17 - 1836/2.9=2, 1834/3.5=1...(5) HA LYS 39 - HD2 ARG 23 OK 10 62 - 17 - 1836/2.9=2, 1834/3.5=1...(5) HA THR 88 - HD3 ARG 27 OK 10 98 - 10 - 3587/5.4=3, 4035/6.3=3 HA THR 88 - HD2 ARG 27 OK 10 98 - 10 - 3587/5.4=3, 4035/6.3=3 HA LEU 64 - HD3 ARG 66 poor 8 25 - 32 - 5789/6.2=12, 3.9/5019=4...(6) HA THR 88 - HD2 ARG 26 lone 7 93 - 8 - 5997/6.1=1 HA LEU 64 - HD2 ARG 66 poor 7 22 - 32 - 5789/6.2=12, 3.9/5019=4...(6) HA THR 88 - HD3 ARG 26 lone 7 92 - 8 - 5997/6.1=1 HA THR 88 - HD2 ARG 17 lone 6 100 - 6 - 1155/3.6=1 HA THR 88 - HD3 ARG 17 lone 6 100 - 6 - 1155/3.6=1 HA LEU 86 - HD3 ARG 84 lone 6 67 - 9 - HA LEU 86 - HD2 ARG 84 lone 6 65 - 9 - HA LEU 64 - HD3 ARG 27 lone 5 83 - 7 - 3.9/5019=2, 3.9/5098=1 HA LEU 64 - HD2 ARG 27 lone 5 83 - 7 - 3.9/5019=2, 3.9/5098=1 HA ALA 20 - HD2 ARG 17 lone 5 89 - 6 - 3725/5.6=2, 1163/3.6=1 HA ALA 20 - HD3 ARG 17 lone 5 89 - 6 - 3725/5.6=2, 1163/3.6=1 HA LYS 39 - HD3 ARG 84 lone 5 57 - 9 - HA GLU 19 - HD3 ARG 17 lone 5 81 - 6 - 1163/3.6=1, 1155/3.6=1 HA GLU 19 - HD2 ARG 17 lone 5 81 - 6 - 1163/3.6=1, 1155/3.6=1 HA LYS 39 - HD2 ARG 84 lone 5 55 - 9 - HA LEU 64 - HD2 ARG 26 lone 4 76 - 6 - 3.9/5019=1 HA LEU 64 - HD3 ARG 26 lone 4 75 - 6 - 3.9/5019=1 HA THR 88 - HD3 ARG 23 lone 4 100 - 4 - HA THR 88 - HD2 ARG 23 lone 4 100 - 4 - HA LEU 86 - HD2 ARG 26 lone 4 63 - 6 - HA LEU 86 - HD3 ARG 26 lone 3 62 - 5 - HA SER 60 - HD2 ARG 17 lone 3 100 - 3 - HA SER 60 - HD3 ARG 17 lone 3 100 - 3 - HA GLU 19 - HD2 ARG 26 lone 3 70 - 5 - HA ARG 17 - HD2 ARG 82 lone 3 92 - 3 - HA GLU 19 - HD3 ARG 26 lone 3 69 - 5 - HA LYS 39 - HD3 ARG 17 lone 3 63 - 5 - HA LYS 39 - HD2 ARG 17 lone 3 63 - 5 - HA ASP 38 - HD3 ARG 17 lone 3 100 - 3 - HA ASP 38 - HD2 ARG 17 lone 3 100 - 3 - HA LEU 64 - HD3 ARG 84 lone 3 80 - 3 - HA LYS 39 - HD2 ARG 82 lone 2 53 - 5 - HA LEU 64 - HD2 ARG 84 lone 2 78 - 3 - HA SER 60 - HD3 ARG 23 lone 2 100 - 2 - HA SER 60 - HD2 ARG 23 lone 2 100 - 2 - HA LEU 86 - HD2 ARG 23 lone 2 72 - 3 - HA LEU 86 - HD3 ARG 23 lone 2 72 - 3 - HA LEU 86 - HD2 ARG 71 lone 2 54 - 4 - HA GLU 19 - HD2 ARG 27 lone 2 76 - 3 - HA GLU 19 - HD3 ARG 27 lone 2 76 - 3 - HA THR 88 - HD2 ARG 71 lone 2 83 - 3 - HA LEU 86 - HD3 ARG 27 lone 2 69 - 3 - HA LEU 86 - HD2 ARG 27 lone 2 69 - 3 - HA THR 88 - HD3 ARG 84 lone 2 96 - 2 - HA ALA 12 - HD2 ARG 17 lone 2 83 - 3 - HA ALA 12 - HD3 ARG 17 lone 2 83 - 3 - HA THR 88 - HD2 ARG 84 lone 2 94 - 2 - HA GLU 19 - HD2 ARG 23 lone 2 79 - 3 - HA GLU 19 - HD3 ARG 23 lone 2 79 - 3 - HA LYS 39 - HD3 ARG 27 lone 2 59 - 3 - HA LYS 39 - HD2 ARG 27 lone 2 59 - 3 - HA LEU 64 - HD2 ARG 71 lone 2 66 - 3 - HA ASP 38 - HD2 ARG 26 lone 2 93 - 2 - HA LYS 39 - HD2 ARG 71 lone 2 45 - 4 - HA ASP 38 - HD3 ARG 26 lone 2 92 - 2 - HA ARG 17 - HD3 ARG 66 lone 2 33 - 5 - HA ASP 38 - HD2 ARG 23 lone 2 100 - 2 - HA ASP 38 - HD3 ARG 23 lone 2 100 - 2 - HA GLU 19 - HD3 ARG 84 lone 2 74 - 2 - HA ARG 17 - HD2 ARG 66 lone 2 30 - 5 - HA GLU 19 - HD2 ARG 84 lone 2 72 - 2 - HA LYS 39 - HD2 ARG 26 lone 2 54 - 3 - HA LYS 39 - HD3 ARG 26 lone 1 52 - 3 - HA ASP 38 - HD3 ARG 27 lone 1 98 - 1 - HA ASP 38 - HD2 ARG 27 lone 1 98 - 1 - HA ALA 20 - HD2 ARG 23 lone 1 87 - 2 - HA ALA 20 - HD3 ARG 23 lone 1 87 - 2 - HA ASP 38 - HD3 ARG 84 lone 1 97 - 1 - HA ALA 20 - HD2 ARG 26 lone 1 78 - 2 - HA ASP 38 - HD2 ARG 84 lone 1 94 - 1 - HA SER 60 - HD3 ARG 84 lone 1 97 - 1 - HA THR 88 - HD2 ARG 82 lone 1 92 - 1 - HA ALA 20 - HD3 ARG 26 lone 1 77 - 2 - HA SER 60 - HD2 ARG 27 lone 1 98 - 1 - HA SER 60 - HD3 ARG 27 lone 1 98 - 1 - HA SER 60 - HD2 ARG 84 lone 1 95 - 1 - HA ASP 38 - HD2 ARG 82 lone 1 92 - 1 - HA GLU 19 - HD2 ARG 71 lone 1 60 - 2 - HA ALA 20 - HD2 ARG 27 lone 1 84 - 2 - HA ALA 20 - HD3 ARG 27 lone 1 84 - 2 - HA ASP 38 - HD2 ARG 71 lone 1 83 - 2 - HA SER 60 - HD2 ARG 82 lone 1 92 - 1 - HA ALA 12 - HD2 ARG 26 lone 1 72 - 2 - HA SER 60 - HD2 ARG 26 lone 1 93 - 1 - HA ALA 20 - HD3 ARG 84 lone 1 82 - 2 - HA ALA 12 - HD3 ARG 26 lone 1 71 - 2 - HA SER 60 - HD3 ARG 26 lone 1 92 - 1 - HA SER 60 - HD2 ARG 71 lone 1 83 - 1 - HA ALA 20 - HD2 ARG 84 lone 1 80 - 2 - HA ALA 12 - HD3 ARG 84 lone 1 76 - 2 - HA ALA 12 - HD3 ARG 23 lone 1 81 - 1 - HA ALA 12 - HD2 ARG 23 lone 1 81 - 1 - HA GLU 19 - HD2 ARG 82 lone 1 69 - 2 - HA ALA 12 - HD3 ARG 27 lone 1 78 - 1 - HA ALA 12 - HD2 ARG 27 lone 1 78 - 1 - HA ALA 20 - HD2 ARG 82 lone 1 77 - 1 - HA ALA 12 - HD2 ARG 84 lone 1 74 - 2 - HA ASP 38 - HD3 ARG 66 lone 1 33 - 3 - 5355/3.4=1 HA ALA 20 - HD2 ARG 71 lone 1 68 - 2 - HA ALA 12 - HD2 ARG 82 lone 1 71 - 1 - HA ASP 38 - HD2 ARG 66 lone 1 30 - 3 - 5355/3.4=1 HA LEU 86 - HD2 ARG 82 lone 1 62 - 1 - HA ALA 12 - HD2 ARG 71 lone 1 62 - 1 - HA ALA 12 - HD3 ARG 66 lone 1 23 - 3 - HA ALA 20 - HD3 ARG 66 lone 1 25 - 3 - 5037/6.2=1 HA THR 88 - HD3 ARG 66 lone 1 33 - 2 - HA ALA 12 - HD2 ARG 66 lone 1 21 - 3 - HA SER 60 - HD3 ARG 66 lone 1 33 - 2 - HA GLU 19 - HD3 ARG 66 lone 1 22 - 3 - HA ALA 20 - HD2 ARG 66 lone 1 23 - 3 - 5037/6.2=1 HA THR 88 - HD2 ARG 66 lone 1 30 - 2 - HA LYS 39 - HD3 ARG 66 lone 1 16 - 4 - HA SER 60 - HD2 ARG 66 lone 1 30 - 2 - HA GLU 19 - HD2 ARG 66 lone 1 20 - 3 - HA LYS 39 - HD2 ARG 66 lone 1 14 - 4 - HA LEU 86 - HD3 ARG 66 lone 1 19 - 3 - HA LEU 86 - HD2 ARG 66 lone 0 18 - 3 - Peak 1188 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 2.88 A): 12 out of 154 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB2 ARG 23 + HD2 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB3 ARG 23 + HD3 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB3 ARG 23 + HD2 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) * HB2 ARG 17 + HD2 ARG 17 OK 71 100 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 17 + HD3 ARG 17 OK 71 100 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 27 + HD3 ARG 27 OK 65 91 - 71 - 3.5=54, 3.0/1420=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 65 91 - 71 - 3.5=54, 3.0/1420=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 64 89 - 71 - 3.5=54, 3.0/1420=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 64 89 - 71 - 3.5=54, 3.0/1420=2...(13) HB2 ARG 71 + HD2 ARG 71 OK 48 74 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 + HD2 ARG 71 OK 47 72 - 66 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 27 85 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 26 83 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 26 83 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 26 82 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 17 OK 21 95 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 71 - HD2 ARG 17 OK 21 95 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 20 93 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 20 93 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 27 - HD2 ARG 23 OK 20 93 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD3 ARG 23 OK 20 93 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 20 92 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 20 92 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 26 OK 19 85 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD2 ARG 26 OK 19 83 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 19 83 - 23 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD3 ARG 26 OK 18 82 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 17 - HD2 ARG 26 OK 15 93 - 16 - 1157/3.0=1 HB2 ARG 17 - HD3 ARG 26 OK 14 92 - 16 - 1157/3.0=1 HB2 ARG 71 - HD2 ARG 27 OK 12 91 - 13 - HB2 ARG 71 - HD3 ARG 27 OK 12 91 - 13 - HB2 ARG 17 - HD3 ARG 27 OK 12 98 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 12 98 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 89 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 12 89 - 13 - HB2 ARG 23 - HD3 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB2 ARG 23 - HD2 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB3 ARG 23 - HD2 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB3 ARG 23 - HD3 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB2 ARG 71 - HD3 ARG 23 OK 11 93 - 12 - HB2 ARG 71 - HD2 ARG 23 OK 11 93 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 11 92 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 11 92 - 12 - HB2 ARG 17 - HD2 ARG 71 OK 11 83 - 13 - 1157/3.0=2 HB2 ARG 27 - HD2 ARG 17 poor 10 95 - 10 - HB2 ARG 27 - HD3 ARG 17 poor 10 95 - 10 - HB3 ARG 27 - HD2 ARG 17 poor 10 93 - 10 - HB3 ARG 27 - HD3 ARG 17 poor 10 93 - 10 - HB2 ARG 17 - HD3 ARG 84 lone 9 97 - 10 - HB2 ARG 17 - HD2 ARG 84 lone 9 95 - 10 - HB2 ARG 17 - HD3 ARG 23 lone 9 100 - 9 - HB2 ARG 17 - HD2 ARG 23 lone 9 100 - 9 - HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD3 ARG 84 lone 8 87 - 9 - HB2 ARG 71 - HD2 ARG 84 lone 8 86 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB2 ARG 27 - HD2 ARG 71 lone 7 74 - 9 - HB3 ARG 27 - HD2 ARG 71 lone 7 72 - 9 - HB2 ARG 23 - HD2 ARG 17 lone 7 99 - 7 - HB2 ARG 23 - HD3 ARG 17 lone 7 99 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 99 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 99 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 6 91 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 6 90 - 6 - HB2 ARG 23 - HD3 ARG 26 lone 6 89 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 6 89 - 7 - HB2 ARG 71 - HD3 ARG 66 poor 6 28 - 20 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 6 28 - 20 - ~5167=1 HB2 LYS 73 - HD3 ARG 84 lone 5 82 - 6 - HB2 ARG 71 - HD2 ARG 66 poor 5 26 - 20 - ~5167=1 HB2 LYS 39 - HD3 ARG 23 lone 5 91 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 5 91 - 6 - HB2 LYS 73 - HD2 ARG 84 lone 5 80 - 6 - HB3 ARG 71 - HD2 ARG 66 poor 5 25 - 20 - ~5167=1 HB2 ARG 23 - HD2 ARG 71 lone 3 80 - 4 - HB3 ARG 23 - HD2 ARG 71 lone 3 79 - 4 - HB2 ARG 23 - HD2 ARG 82 lone 3 90 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 89 - 4 - HB ILE 89 - HD3 ARG 84 lone 3 84 - 4 - HB ILE 89 - HD2 ARG 84 lone 3 81 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 86 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 83 - 3 - HB2 LYS 73 - HD2 ARG 71 lone 3 68 - 4 - HB2 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HB2 ARG 23 - HD3 ARG 66 lone 2 32 - 7 - HB3 ARG 23 - HD3 ARG 66 lone 2 31 - 7 - HB ILE 89 - HD2 ARG 27 lone 2 86 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 86 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 89 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 89 - 2 - HB2 ARG 23 - HD2 ARG 66 lone 2 29 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 2 28 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HB3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HB2 ARG 23 - HD3 ARG 84 lone 2 94 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 94 - 2 - HB2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HB2 ARG 23 - HD2 ARG 84 lone 2 92 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 91 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 2 96 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD2 ARG 66 lone 2 25 - 6 - HB2 LYS 75 - HD2 ARG 84 lone 2 94 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 87 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 86 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB ILE 89 - HD3 ARG 17 lone 2 90 - 2 - HB ILE 89 - HD2 ARG 17 lone 2 90 - 2 - HB2 LYS 73 - HD2 ARG 82 lone 2 77 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 82 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 1 92 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 1 92 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 81 - 2 - HB ILE 89 - HD2 ARG 26 lone 1 80 - 1 - HB2 ARG 71 - HD2 ARG 82 lone 1 84 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 78 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 87 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 87 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 89 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 89 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 78 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 77 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 100 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 100 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 71 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 79 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 33 - 2 - HB2 LYS 39 - HD3 ARG 27 lone 1 88 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 88 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 84 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 84 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 92 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 82 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 30 - 2 - HB2 LYS 39 - HD3 ARG 26 lone 1 80 - 1 - HB ILE 89 - HD2 ARG 71 lone 1 69 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 98 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 98 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 93 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 91 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 27 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 24 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 33 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 25 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 30 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 23 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 26 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 24 - 0 - Peak 1189 from cnoeabs.peaks (1.74, 3.16, 43.10 ppm; 3.02 A): 7 out of 224 assignments used, quality = 1.00: HG3 ARG 26 + HD2 ARG 26 OK 92 92 - 100 - 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 91 91 - 100 - 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 - 100 - 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 76 100 - 76 - 3.6=59, 1167/3.0=5...(15) * HB3 ARG 17 + HD2 ARG 17 OK 76 100 - 76 - 3.6=59, 1167/3.0=5...(15) HB2 ARG 84 + HD3 ARG 84 OK 63 82 - 77 - 3.5=63, 1.8/3418=6...(14) HB2 ARG 84 + HD2 ARG 84 OK 61 80 - 77 - 3.5=63, 1.8/3418=6...(14) HB3 ARG 82 - HD2 ARG 82 OK 43 67 - 64 - 3.6=56, 5479/3.0=7...(7) HG3 ARG 71 - HD2 ARG 26 OK 29 90 - 32 - 2932/3.0=3, 2935/1.8=3...(8) HG3 ARG 71 - HD3 ARG 26 OK 28 89 - 32 - 2932/3.0=3, 2929/4.8=3...(8) HG3 ARG 71 - HD3 ARG 17 OK 23 99 - 23 - 2934/1.8=2, 2932/3.0=2...(8) HG3 ARG 71 - HD2 ARG 17 OK 23 99 - 23 - 2934/1.8=2, 2932/3.0=2...(8) HG3 ARG 26 - HD2 ARG 71 OK 20 81 - 24 - 1394/3.0=4, 1391/4.7=2...(8) HG3 ARG 26 - HD3 ARG 27 OK 16 97 - 17 - 1394/3.0=2, 1394/3.0=2...(7) HG3 ARG 26 - HD2 ARG 27 OK 16 97 - 17 - 1394/3.0=2, 1394/3.0=2...(7) HB3 ARG 17 - HD2 ARG 26 OK 15 93 - 17 - HB3 ARG 17 - HD3 ARG 26 OK 15 92 - 16 - HB3 ARG 17 - HD2 ARG 71 OK 15 83 - 18 - 1164/3.5=1, 1164/3.5=1...(5) HG3 ARG 71 - HD3 ARG 27 OK 14 96 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HG3 ARG 71 - HD2 ARG 27 OK 14 96 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HB3 ARG 17 - HD3 ARG 27 OK 14 98 - 14 - HB3 ARG 17 - HD2 ARG 27 OK 14 98 - 14 - HG3 ARG 26 - HD2 ARG 17 OK 13 100 - 13 - 1394/3.0=2, 1394/3.0=2, 1396=1 HG3 ARG 26 - HD3 ARG 17 OK 13 100 - 13 - 1394/3.0=2, 1394/3.0=2, 1396=1 HG3 ARG 71 - HD2 ARG 23 OK 10 98 - 10 - HG3 ARG 71 - HD3 ARG 23 OK 10 98 - 10 - HB3 ARG 17 - HD3 ARG 84 lone 9 97 - 9 - HB3 ARG 17 - HD2 ARG 23 lone 9 100 - 9 - HB3 ARG 17 - HD3 ARG 23 lone 9 100 - 9 - HB3 ARG 17 - HD2 ARG 84 lone 9 95 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 9 94 - 9 - 2934/1.8=1, 2934=1 HG3 ARG 71 - HD2 ARG 84 lone 9 91 - 9 - 2934/1.8=1, 2934=1 HB2 ARG 84 - HD3 ARG 17 lone 8 89 - 10 - HB2 ARG 84 - HD2 ARG 17 lone 8 89 - 10 - HG2 PRO 34 - HD2 ARG 26 poor 8 80 - 10 - 1723/3.5=1, 1723/3.5=1 HG2 PRO 34 - HD3 ARG 26 poor 8 78 - 10 - 1723/3.5=1, 1723/3.5=1 HB3 ARG 82 - HD2 ARG 23 poor 8 77 - 10 - 1.8/5889=1, ~5889=1, ~5480=1 HB3 ARG 82 - HD3 ARG 23 poor 8 77 - 10 - 1.8/5889=1, ~5889=1, ~5480=1 HB2 LEU 62 - HD2 ARG 26 lone 8 93 - 9 - 3.1/5958=1, ~5958=1, 4678/4.8=1 HB2 LEU 62 - HD3 ARG 26 lone 8 91 - 9 - ~5958=1, 3.1/5958=1, 4678/4.8=1 HG2 PRO 34 - HD2 ARG 71 lone 6 69 - 9 - 1723/3.5=1, 1723/3.5=1 HG3 ARG 26 - HD3 ARG 66 poor 6 32 - 20 - 1396=2, 1397/1.8=2, 1393/3.4=1 HG3 ARG 26 - HD2 ARG 66 poor 6 29 - 20 - 1396/1.8=2, 1396=2, 1393/3.4=1 HB3 LYS 85 - HD3 ARG 84 lone 5 74 - 7 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 71 - HD3 ARG 66 poor 5 31 - 16 - 2935/1.8=2 HB3 LYS 85 - HD2 ARG 84 lone 5 72 - 7 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 26 - HD3 ARG 23 lone 5 99 - 5 - HG3 ARG 26 - HD2 ARG 23 lone 5 99 - 5 - HB2 LEU 29 - HD3 ARG 84 lone 5 60 - 8 - HG3 ARG 71 - HD2 ARG 66 poor 5 28 - 16 - 2935/1.8=2 HB2 LEU 29 - HD2 ARG 84 lone 5 57 - 8 - HB2 ARG 84 - HD2 ARG 71 lone 4 68 - 6 - HB2 LEU 62 - HD2 ARG 71 lone 4 82 - 5 - HB2 ARG 84 - HD2 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HD3 ARG 26 lone 4 77 - 5 - HB2 LEU 62 - HD3 ARG 84 lone 4 96 - 4 - HG3 ARG 26 - HD3 ARG 84 lone 4 96 - 4 - HB2 LEU 62 - HD2 ARG 84 lone 3 94 - 4 - HG3 ARG 26 - HD2 ARG 84 lone 3 93 - 4 - HB3 LYS 83 - HD3 ARG 84 lone 3 62 - 5 - 4.3/5915=1 HB2 LYS 32 - HD2 ARG 71 lone 3 41 - 8 - HB3 LYS 32 - HD2 ARG 71 lone 3 41 - 8 - HB3 LYS 83 - HD2 ARG 84 lone 3 60 - 5 - 4.3/5915=1 HB2 LEU 62 - HD2 ARG 17 lone 3 100 - 3 - HB2 LEU 62 - HD3 ARG 17 lone 3 100 - 3 - HB3 ARG 82 - HD3 ARG 84 lone 3 72 - 4 - HB2 ARG 84 - HD3 ARG 23 lone 3 87 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 3 87 - 3 - HB2 ARG 84 - HD3 ARG 27 lone 3 84 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 3 84 - 3 - HB3 ARG 82 - HD2 ARG 84 lone 3 69 - 4 - HG2 PRO 34 - HD2 ARG 27 lone 2 86 - 3 - HG2 PRO 34 - HD3 ARG 27 lone 2 86 - 3 - HB2 LEU 62 - HD2 ARG 23 lone 2 99 - 2 - HB2 LEU 62 - HD3 ARG 23 lone 2 99 - 2 - HB2 LYS 32 - HD3 ARG 84 lone 2 52 - 4 - HB3 LYS 32 - HD3 ARG 84 lone 2 52 - 4 - HB2 LEU 29 - HD2 ARG 26 lone 2 56 - 4 - 5348/4.8=1 HB2 LYS 32 - HD2 ARG 84 lone 2 50 - 4 - HB3 LYS 32 - HD2 ARG 84 lone 2 50 - 4 - HB2 LEU 29 - HD3 ARG 26 lone 2 55 - 4 - 5348/4.8=1 HB3 ARG 82 - HD2 ARG 17 lone 2 78 - 2 - HB3 ARG 82 - HD3 ARG 17 lone 2 78 - 2 - HB2 ARG 54 - HD2 ARG 82 lone 2 67 - 3 - HB2 LEU 29 - HD2 ARG 71 lone 2 47 - 4 - 5348/4.7=1 HB2 LEU 62 - HD3 ARG 27 lone 2 98 - 2 - HB2 LEU 62 - HD2 ARG 27 lone 2 98 - 2 - HB2 ARG 84 - HD2 ARG 82 lone 2 77 - 2 - HB3 LYS 32 - HD3 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HD2 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HD3 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HD2 ARG 26 lone 2 49 - 3 - HB2 LYS 32 - HD2 ARG 26 lone 2 49 - 3 - HB3 LYS 32 - HD3 ARG 26 lone 2 48 - 3 - HB2 LYS 32 - HD3 ARG 26 lone 2 48 - 3 - HG2 PRO 34 - HD2 ARG 82 lone 1 79 - 2 - HB2 LEU 43 - HD2 ARG 26 lone 1 74 - 2 - HG3 ARG 71 - HD2 ARG 82 lone 1 89 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 1 73 - 2 - HB2 LEU 43 - HD3 ARG 84 lone 1 78 - 2 - HB2 LEU 62 - HD3 ARG 66 lone 1 33 - 4 - HB2 LEU 43 - HD2 ARG 84 lone 1 76 - 2 - HB2 LEU 29 - HD2 ARG 23 lone 1 64 - 2 - HB2 LEU 29 - HD3 ARG 23 lone 1 64 - 2 - HB3 ARG 82 - HD2 ARG 71 lone 1 58 - 2 - HB2 ARG 54 - HD3 ARG 84 lone 1 72 - 2 - HB2 LEU 62 - HD2 ARG 66 lone 1 30 - 4 - HB2 ARG 54 - HD2 ARG 84 lone 1 69 - 2 - HG2 PRO 34 - HD3 ARG 23 lone 1 89 - 1 - HG2 PRO 34 - HD2 ARG 23 lone 1 89 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 81 - 1 - HB3 LYS 85 - HD3 ARG 17 lone 1 81 - 1 - HB2 LEU 29 - HD2 ARG 82 lone 1 55 - 2 - HB3 LYS 83 - HD2 ARG 82 lone 1 58 - 2 - HG2 PRO 34 - HD3 ARG 17 lone 1 90 - 1 - HG2 PRO 34 - HD2 ARG 17 lone 1 90 - 1 - HB2 ARG 54 - HD2 ARG 23 lone 1 77 - 1 - HB2 ARG 54 - HD3 ARG 23 lone 1 77 - 1 - HB3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HB3 LYS 85 - HD2 ARG 71 lone 1 60 - 2 - HB3 ARG 82 - HD3 ARG 27 lone 1 74 - 1 - HB3 ARG 82 - HD2 ARG 27 lone 1 74 - 1 - HG2 PRO 34 - HD3 ARG 84 lone 1 84 - 1 - HG2 PRO 34 - HD2 ARG 84 lone 1 81 - 1 - HB2 LEU 29 - HD2 ARG 17 lone 1 65 - 1 - HB2 LEU 29 - HD3 ARG 17 lone 1 65 - 1 - HB2 LEU 57 - HD2 ARG 26 lone 1 66 - 1 - HB2 LEU 43 - HD2 ARG 71 lone 1 64 - 1 - HB2 LEU 57 - HD3 ARG 26 lone 1 64 - 1 - HB2 LYS 32 - HD3 ARG 27 lone 1 54 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 54 - 2 - HB3 LYS 32 - HD2 ARG 27 lone 1 54 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 54 - 2 - HB2 LEU 43 - HD2 ARG 27 lone 1 81 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 81 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 1 84 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 1 84 - 1 - HB3 LYS 32 - HD2 ARG 82 lone 1 48 - 2 - HB2 LYS 32 - HD2 ARG 82 lone 1 48 - 2 - HB2 LEU 43 - HD3 ARG 17 lone 1 85 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 1 85 - 1 - HB3 ARG 82 - HD2 ARG 26 lone 1 68 - 1 - HB3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HB2 LEU 43 - HD3 ARG 66 lone 1 24 - 4 - HB2 LEU 29 - HD3 ARG 66 lone 1 17 - 5 - HB3 ARG 82 - HD3 ARG 26 lone 1 66 - 1 - HB2 LEU 57 - HD2 ARG 23 lone 1 75 - 1 - HB2 LEU 57 - HD3 ARG 23 lone 1 75 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 1 91 - 1 - HB2 LEU 29 - HD2 ARG 27 lone 1 61 - 1 - HB2 LEU 29 - HD3 ARG 27 lone 1 61 - 1 - HB3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HB3 LYS 83 - HD2 ARG 17 lone 1 68 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 1 68 - 1 - HB2 ARG 54 - HD2 ARG 17 lone 1 78 - 1 - HB2 ARG 54 - HD3 ARG 17 lone 1 78 - 1 - HB2 LEU 43 - HD2 ARG 66 lone 1 21 - 4 - HB2 LEU 29 - HD2 ARG 66 lone 1 15 - 5 - HB2 ARG 54 - HD2 ARG 71 lone 1 58 - 1 - HB3 LYS 85 - HD2 ARG 82 lone 1 69 - 1 - HB2 LEU 57 - HD3 ARG 27 lone 1 72 - 1 - HB2 LEU 57 - HD2 ARG 27 lone 1 72 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 1 92 - 1 - HB2 ARG 54 - HD2 ARG 26 lone 1 68 - 1 - HB2 ARG 54 - HD3 ARG 26 lone 1 66 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 70 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 69 - 1 - HB2 LEU 57 - HD2 ARG 71 lone 1 56 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 1 76 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 1 76 - 1 - HB2 LEU 57 - HD3 ARG 17 lone 1 76 - 1 - HB2 LEU 57 - HD2 ARG 17 lone 1 76 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 1 79 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 1 79 - 1 - HB ILE 33 - HD2 ARG 26 lone 1 61 - 1 - HB ILE 33 - HD3 ARG 26 lone 1 60 - 1 - HB2 ARG 54 - HD3 ARG 27 lone 1 74 - 1 - HB2 ARG 54 - HD2 ARG 27 lone 1 74 - 1 - HB ILE 33 - HD2 ARG 27 lone 0 67 - 1 - HB ILE 33 - HD3 ARG 27 lone 0 67 - 1 - HB3 LYS 32 - HD3 ARG 66 lone 1 14 - 4 - HB2 LYS 32 - HD3 ARG 66 lone 1 14 - 4 - HB3 LYS 83 - HD2 ARG 71 lone 1 50 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 0 67 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 0 67 - 1 - HB ILE 33 - HD2 ARG 17 lone 0 71 - 1 - HB ILE 33 - HD3 ARG 17 lone 0 71 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 0 56 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 0 56 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 0 56 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 0 56 - 1 - HB ILE 33 - HD3 ARG 23 lone 0 70 - 1 - HB ILE 33 - HD2 ARG 23 lone 0 70 - 1 - HB2 LEU 57 - HD2 ARG 82 lone 0 65 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 0 73 - 1 - HG2 PRO 34 - HD3 ARG 66 lone 0 26 - 2 - HB3 LYS 32 - HD2 ARG 66 lone 0 13 - 4 - HB2 LYS 32 - HD2 ARG 66 lone 0 13 - 4 - HB2 LEU 57 - HD3 ARG 84 lone 0 70 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 0 59 - 1 - HB ILE 33 - HD2 ARG 82 lone 0 60 - 1 - HB2 LEU 57 - HD2 ARG 84 lone 0 67 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 57 - 1 - HB ILE 33 - HD2 ARG 71 lone 0 52 - 1 - HG2 PRO 34 - HD2 ARG 66 lone 0 24 - 2 - HB3 LYS 83 - HD3 ARG 27 lone 0 64 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 64 - 1 - HB2 LEU 57 - HD3 ARG 66 lone 0 20 - 2 - HB2 LEU 57 - HD2 ARG 66 lone 0 18 - 2 - HB ILE 33 - HD3 ARG 84 lone 0 65 - 0 - HB ILE 33 - HD2 ARG 84 lone 0 62 - 0 - HB3 ARG 82 - HD3 ARG 66 lone 0 21 - 1 - HB3 ARG 82 - HD2 ARG 66 lone 0 19 - 1 - HB ILE 33 - HD3 ARG 66 lone 0 19 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 0 25 - 1 - HB ILE 33 - HD2 ARG 66 lone 0 17 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 0 23 - 1 - HB2 ARG 54 - HD3 ARG 66 lone 0 21 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 0 22 - 1 - HB2 ARG 54 - HD2 ARG 66 lone 0 19 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 0 20 - 1 - HB3 LYS 83 - HD3 ARG 66 lone 0 18 - 1 - HB3 LYS 83 - HD2 ARG 66 lone 0 16 - 1 - Peak 1190 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 224 assignments used, quality = 1.00: HG2 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) * HG2 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG3 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 26 + HD2 ARG 26 OK 84 93 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 26 + HD3 ARG 26 OK 83 91 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 27 + HD3 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 81 89 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 81 89 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 71 + HD2 ARG 71 OK 72 83 - 87 - 3.0=85, 3.8/2902=2...(5) HG2 ARG 84 + HD3 ARG 84 OK 62 65 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD3 ARG 84 OK 62 65 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 71 - HD2 ARG 26 OK 24 93 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 26 OK 24 92 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD2 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 27 - HD2 ARG 26 OK 15 85 - 18 - 1394/3.0=2 HG2 ARG 26 - HD2 ARG 71 OK 15 82 - 18 - 2932/3.0=2, ~1394=1 HG3 ARG 27 - HD2 ARG 26 OK 15 83 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 14 83 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 14 82 - 18 - 1394/3.0=2 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG3 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 26 - HD2 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 92 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 92 - 12 - HG2 ARG 71 - HD2 ARG 27 OK 10 98 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 98 - 11 - HG3 ARG 70 - HD3 ARG 66 poor 10 32 - 31 - ~2871=2, ~2870=2...(9) HG3 ARG 70 - HD2 ARG 71 poor 9 81 - 12 - 2932/3.0=1, ~2870=1, 778/5.8=1 HG2 ARG 26 - HD3 ARG 17 lone 9 100 - 9 - HG2 ARG 26 - HD2 ARG 17 lone 9 100 - 9 - HG3 ARG 70 - HD2 ARG 66 poor 9 29 - 30 - ~2871=2, ~2870=2...(9) HG2 ARG 71 - HD3 ARG 23 lone 8 100 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 100 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 71 - HD3 ARG 84 lone 8 97 - 8 - HG2 ARG 71 - HD2 ARG 84 lone 7 94 - 8 - HD3 LYS 32 - HD2 ARG 71 lone 7 81 - 9 - HD2 LYS 32 - HD2 ARG 71 lone 7 79 - 9 - HG3 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG2 ARG 27 - HD2 ARG 71 lone 7 74 - 9 - 2932/3.0=1 HG3 ARG 27 - HD2 ARG 71 lone 6 72 - 9 - 2932/3.0=1 HG2 ARG 27 - HD3 ARG 17 lone 6 95 - 6 - HG2 ARG 27 - HD2 ARG 17 lone 6 95 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 93 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 93 - 6 - HG3 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 6 94 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 6 95 - 6 - HG2 ARG 26 - HD3 ARG 66 poor 5 33 - 16 - 1.8/1396=1 HB2 LEU 86 - HD2 ARG 17 lone 5 100 - 5 - HB2 LEU 86 - HD3 ARG 17 lone 5 100 - 5 - HG2 ARG 84 - HD3 ARG 17 lone 5 71 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 5 71 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 5 71 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 5 71 - 7 - HG2 ARG 26 - HD2 ARG 66 poor 5 30 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 5 33 - 14 - ~2935=1, 2927/1.8=1 HD3 LYS 73 - HD2 ARG 71 lone 4 79 - 5 - HD2 LYS 73 - HD2 ARG 71 lone 4 79 - 5 - HG2 ARG 71 - HD2 ARG 66 poor 4 30 - 14 - ~2935=1, 2927/1.8=1 HG3 ARG 70 - HD2 ARG 26 lone 4 92 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 99 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 99 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 3 90 - 4 - HB2 LEU 86 - HD2 ARG 26 lone 3 93 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 92 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 95 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 90 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 94 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 94 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 94 - 3 - HG2 ARG 84 - HD2 ARG 71 lone 3 52 - 6 - HG3 ARG 84 - HD2 ARG 71 lone 3 52 - 6 - HD3 LYS 32 - HD2 ARG 84 lone 3 93 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 90 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 91 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 83 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 83 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 3 96 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 3 94 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 61 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 61 - 4 - HB2 LEU 86 - HD2 ARG 84 lone 3 94 - 3 - HG3 ARG 84 - HD3 ARG 26 lone 3 60 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 60 - 4 - HG3 ARG 70 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 99 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 72 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 95 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD2 ARG 84 lone 2 93 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 71 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 82 - 2 - HG2 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HG3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HG LEU 86 - HD3 ARG 84 lone 2 76 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 2 99 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 2 99 - 2 - HG LEU 86 - HD2 ARG 84 lone 2 74 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 2 97 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 2 97 - 2 - HG2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HD2 LYS 73 - HD2 ARG 26 lone 2 90 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 90 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 70 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 70 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 2 70 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 2 70 - 2 - HG3 ARG 27 - HD2 ARG 66 lone 2 25 - 6 - HD2 LYS 73 - HD3 ARG 26 lone 2 89 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 89 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD2 ARG 23 lone 1 99 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 99 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 97 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 96 - 1 - HG LEU 86 - HD2 ARG 71 lone 1 62 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 67 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 67 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 67 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 67 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 89 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 87 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 86 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 85 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 92 - 1 - HG2 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG LEU 86 - HD2 ARG 23 lone 1 81 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 81 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 78 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 78 - 1 - HG2 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HD3 LYS 73 - HD3 ARG 23 lone 1 98 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 98 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 78 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 76 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 89 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 89 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 91 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 99 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 99 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 99 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 99 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 89 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 60 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 60 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 74 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 73 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 85 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 85 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 91 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 64 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 1 84 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 1 84 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 33 - 2 - HD3 LYS 32 - HD3 ARG 66 lone 1 32 - 2 - HB2 LEU 86 - HD2 ARG 66 lone 0 29 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 0 31 - 2 - HB2 LEU 86 - HD2 ARG 82 lone 0 92 - 0 - HD3 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HB3 LEU 51 - HD2 ARG 82 lone 0 73 - 1 - HG LEU 86 - HD3 ARG 66 lone 0 23 - 2 - HD2 LYS 32 - HD2 ARG 66 lone 0 28 - 2 - HB3 LEU 51 - HD3 ARG 27 lone 0 81 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 81 - 0 - HG LEU 86 - HD2 ARG 66 lone 0 21 - 2 - HG LEU 86 - HD2 ARG 82 lone 0 71 - 0 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 24 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 21 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 19 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 19 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 17 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 17 - 1 - Peak 1191 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 224 assignments used, quality = 1.00: * HG3 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG3 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 26 + HD2 ARG 26 OK 84 93 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 27 + HD3 ARG 27 OK 83 92 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 83 92 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 26 + HD3 ARG 26 OK 83 92 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG3 ARG 27 + HD3 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 71 + HD2 ARG 71 OK 72 83 - 87 - 3.0=85, 3.8/2902=2...(5) HG3 ARG 84 + HD3 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD3 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 57 60 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 57 60 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 71 - HD2 ARG 26 OK 24 93 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 26 OK 24 92 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD2 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 27 - HD2 ARG 26 OK 15 86 - 18 - 1394/3.0=2 HG3 ARG 27 - HD2 ARG 26 OK 15 85 - 18 - 1394/3.0=2 HG2 ARG 26 - HD2 ARG 71 OK 15 83 - 18 - 2932/3.0=2, ~1394=1 HG2 ARG 27 - HD3 ARG 26 OK 15 84 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 14 83 - 18 - 1394/3.0=2 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 26 - HD2 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 27 - HD3 ARG 23 OK 11 95 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 11 95 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG2 ARG 71 - HD2 ARG 27 OK 10 98 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 98 - 11 - HG3 ARG 70 - HD3 ARG 66 poor 10 32 - 31 - ~2871=2, ~2870=2...(9) HG3 ARG 70 - HD2 ARG 71 poor 9 80 - 12 - 2932/3.0=1, ~2870=1, 778/5.8=1 HG2 ARG 26 - HD2 ARG 17 lone 9 100 - 9 - HG2 ARG 26 - HD3 ARG 17 lone 9 100 - 9 - HG3 ARG 70 - HD2 ARG 66 poor 9 29 - 30 - ~2871=2, ~2870=2...(9) HG2 ARG 71 - HD2 ARG 23 lone 8 100 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 100 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 71 - HD3 ARG 84 lone 8 97 - 8 - HG2 ARG 71 - HD2 ARG 84 lone 7 95 - 8 - HD3 LYS 32 - HD2 ARG 71 lone 7 80 - 9 - HD2 LYS 32 - HD2 ARG 71 lone 7 78 - 9 - HG2 ARG 27 - HD2 ARG 71 lone 7 75 - 9 - 2932/3.0=1 HG3 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG3 ARG 27 - HD2 ARG 71 lone 6 74 - 9 - 2932/3.0=1 HG2 ARG 27 - HD2 ARG 17 lone 6 96 - 6 - HG2 ARG 27 - HD3 ARG 17 lone 6 96 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 95 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 95 - 6 - HG3 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 6 95 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 6 94 - 6 - HG2 ARG 26 - HD3 ARG 66 poor 5 33 - 16 - 1.8/1396=1 HB2 LEU 86 - HD3 ARG 17 lone 5 100 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 5 100 - 5 - HG2 ARG 84 - HD3 ARG 17 lone 5 68 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 5 68 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 5 68 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 5 68 - 7 - HG2 ARG 26 - HD2 ARG 66 poor 5 30 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 5 33 - 14 - ~2935=1, 2927/1.8=1 HD2 LYS 73 - HD2 ARG 71 lone 4 78 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 4 78 - 5 - HG2 ARG 71 - HD2 ARG 66 poor 4 30 - 14 - ~2935=1, 2927/1.8=1 HG3 ARG 70 - HD2 ARG 26 lone 4 91 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 100 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 100 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 3 89 - 4 - HB2 LEU 86 - HD2 ARG 26 lone 3 92 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 94 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 93 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 93 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 93 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 92 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 88 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 91 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HG3 ARG 84 - HD2 ARG 71 lone 3 50 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 3 50 - 6 - HG2 ARG 26 - HD3 ARG 84 lone 3 96 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 3 94 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 81 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 81 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 3 93 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 59 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 59 - 4 - HG3 ARG 70 - HD2 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 84 - HD3 ARG 26 lone 2 57 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 2 57 - 4 - HD3 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD3 ARG 84 lone 2 94 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 98 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 98 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 70 - 3 - HG3 ARG 70 - HD2 ARG 84 lone 2 92 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 69 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 81 - 2 - HG2 ARG 27 - HD3 ARG 66 lone 2 29 - 6 - HG3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HD2 LYS 73 - HD3 ARG 17 lone 2 98 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 2 98 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 2 98 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 2 98 - 2 - HG LEU 86 - HD3 ARG 84 lone 2 74 - 2 - HG2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HG LEU 86 - HD2 ARG 84 lone 2 72 - 2 - HG3 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HG3 ARG 70 - HD3 ARG 27 lone 2 96 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 2 96 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 2 89 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 89 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 97 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 97 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 2 88 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 88 - 2 - HB2 LEU 86 - HD3 ARG 23 lone 1 99 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 99 - 1 - HG2 ARG 84 - HD2 ARG 23 lone 1 67 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 1 67 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 1 67 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 1 67 - 2 - HD3 LYS 32 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 95 - 1 - HG LEU 86 - HD2 ARG 71 lone 1 60 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 64 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 64 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 90 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 89 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 87 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 86 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 92 - 1 - HG2 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG LEU 86 - HD3 ARG 23 lone 1 79 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 79 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 76 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 76 - 1 - HG2 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HD3 LYS 73 - HD3 ARG 23 lone 1 97 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 97 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 76 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 88 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 88 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 74 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 90 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 98 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 98 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 98 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 97 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 88 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 58 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 58 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 72 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 71 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 1 92 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 83 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 83 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 90 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 62 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 32 - 2 - HB3 LEU 51 - HD2 ARG 23 lone 0 81 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 81 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 32 - 2 - HB2 LEU 86 - HD2 ARG 66 lone 0 29 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 0 31 - 2 - HB2 LEU 86 - HD2 ARG 82 lone 0 91 - 0 - HD3 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HB3 LEU 51 - HD2 ARG 82 lone 0 71 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 0 28 - 2 - HG LEU 86 - HD3 ARG 66 lone 0 22 - 2 - HB3 LEU 51 - HD3 ARG 27 lone 0 78 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 78 - 0 - HG LEU 86 - HD2 ARG 82 lone 0 69 - 0 - HG LEU 86 - HD2 ARG 66 lone 0 20 - 2 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 23 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 21 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 18 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 18 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 16 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 16 - 1 - Peak 1192 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 14 assignments used, quality = 1.00: HD3 ARG 17 + HD3 ARG 17 OK 100 100 - 100 * HD2 ARG 17 + HD2 ARG 17 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 95 95 - 100 HD3 ARG 27 + HD3 ARG 27 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 91 91 - 100 HD2 ARG 84 + HD2 ARG 84 OK 86 86 - 100 HD2 ARG 82 + HD2 ARG 82 OK 85 85 - 100 HD2 ARG 26 + HD2 ARG 26 OK 83 83 - 100 HD3 ARG 26 + HD3 ARG 26 OK 80 80 - 100 HD2 ARG 71 + HD2 ARG 71 OK 62 62 - 100 HD3 ARG 66 - HD3 ARG 66 OK 17 17 - 100 HD2 ARG 66 - HD2 ARG 66 OK 14 14 - 100 Peak 1193 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 14 assignments used, quality = 1.00: HD3 ARG 17 + HD3 ARG 17 OK 100 100 - 100 HD2 ARG 17 + HD2 ARG 17 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 95 95 - 100 HD3 ARG 27 + HD3 ARG 27 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 91 91 - 100 HD2 ARG 84 + HD2 ARG 84 OK 86 86 - 100 HD2 ARG 82 + HD2 ARG 82 OK 85 85 - 100 HD2 ARG 26 + HD2 ARG 26 OK 83 83 - 100 HD3 ARG 26 + HD3 ARG 26 OK 80 80 - 100 HD2 ARG 71 + HD2 ARG 71 OK 62 62 - 100 HD3 ARG 66 - HD3 ARG 66 OK 17 17 - 100 HD2 ARG 66 - HD2 ARG 66 OK 14 14 - 100 Reference assignment not found: HD3 ARG 17 - HD2 ARG 17 Peak 1195 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.59 A): 2 out of 140 assignments used, quality = 1.00: * HA ARG 17 + HD3 ARG 17 OK 94 100 - 94 - 5.0=78, 1151/3.0=10...(42) HA ARG 17 + HD2 ARG 17 OK 94 100 - 94 - 5.0=78, 1151/3.0=10...(42) HA ARG 17 - HD2 ARG 71 OK 34 83 - 41 - 1149/3.0=7, 1148/3.5=5...(14) HA ARG 17 - HD2 ARG 26 OK 32 93 - 34 - 1149/3.0=4, 1152=3...(9) HA ARG 17 - HD2 ARG 27 OK 31 98 - 32 - 1152=3, 1153/1.8=3...(12) HA ARG 17 - HD3 ARG 27 OK 31 98 - 32 - 1152=3, 1153/1.8=3...(12) HA ARG 17 - HD3 ARG 26 OK 31 92 - 34 - 1149/3.0=4, 1152=3...(9) HA LEU 64 - HD2 ARG 23 OK 28 86 - 33 - 3.9/5019=5, 2616/2.9=5...(13) HA LEU 64 - HD3 ARG 23 OK 28 86 - 33 - 3.9/5019=5, 2616/2.9=5...(13) HA ARG 17 - HD3 ARG 84 OK 21 97 - 22 - 1152=2, 1149/3.5=2...(5) HA ARG 17 - HD2 ARG 84 OK 21 95 - 22 - 1152=2, 1153/1.8=2...(5) HA ARG 17 - HD3 ARG 23 OK 20 100 - 20 - 1152=2, 1152/1.8=2...(4) HA ARG 17 - HD2 ARG 23 OK 20 100 - 20 - 1152=2, 1152/1.8=2...(4) HA LEU 64 - HD2 ARG 82 OK 13 75 - 18 - 2616/3.0=3, 2615/3.6=2...(8) HA LEU 64 - HD2 ARG 17 OK 13 87 - 15 - 484/5.6=4, 1155/3.6=2...(4) HA LEU 64 - HD3 ARG 17 OK 13 87 - 15 - 484/5.6=4, 1155/3.6=2...(4) HA LEU 86 - HD3 ARG 17 OK 11 73 - 15 - 1163/3.6=2, 1155/3.6=2...(6) HA LEU 86 - HD2 ARG 17 OK 11 73 - 15 - 1163/3.6=2, 1155/3.6=2...(6) HA LYS 39 - HD3 ARG 23 OK 10 62 - 17 - 1836/2.9=2, 1834/3.5=1...(5) HA LYS 39 - HD2 ARG 23 OK 10 62 - 17 - 1836/2.9=2, 1834/3.5=1...(5) HA THR 88 - HD3 ARG 27 OK 10 98 - 10 - 3587/5.4=3, 4035/6.3=3 HA THR 88 - HD2 ARG 27 OK 10 98 - 10 - 3587/5.4=3, 4035/6.3=3 HA LEU 64 - HD3 ARG 66 poor 8 25 - 32 - 5789/6.2=12, 3.9/5019=4...(6) HA THR 88 - HD2 ARG 26 lone 7 93 - 8 - 5997/6.1=1 HA LEU 64 - HD2 ARG 66 poor 7 22 - 32 - 5789/6.2=12, 3.9/5019=4...(6) HA THR 88 - HD3 ARG 26 lone 7 92 - 8 - 5997/6.1=1 HA THR 88 - HD2 ARG 17 lone 6 100 - 6 - 1155/3.6=1 HA THR 88 - HD3 ARG 17 lone 6 100 - 6 - 1155/3.6=1 HA LEU 86 - HD3 ARG 84 lone 6 67 - 9 - HA LEU 86 - HD2 ARG 84 lone 6 65 - 9 - HA LEU 64 - HD3 ARG 27 lone 5 83 - 7 - 3.9/5019=2, 3.9/5098=1 HA LEU 64 - HD2 ARG 27 lone 5 83 - 7 - 3.9/5019=2, 3.9/5098=1 HA ALA 20 - HD2 ARG 17 lone 5 89 - 6 - 3725/5.6=2, 1163/3.6=1 HA ALA 20 - HD3 ARG 17 lone 5 89 - 6 - 3725/5.6=2, 1163/3.6=1 HA LYS 39 - HD3 ARG 84 lone 5 57 - 9 - HA GLU 19 - HD3 ARG 17 lone 5 81 - 6 - 1163/3.6=1, 1155/3.6=1 HA GLU 19 - HD2 ARG 17 lone 5 81 - 6 - 1163/3.6=1, 1155/3.6=1 HA LYS 39 - HD2 ARG 84 lone 5 55 - 9 - HA LEU 64 - HD2 ARG 26 lone 4 76 - 6 - 3.9/5019=1 HA LEU 64 - HD3 ARG 26 lone 4 75 - 6 - 3.9/5019=1 HA THR 88 - HD3 ARG 23 lone 4 100 - 4 - HA THR 88 - HD2 ARG 23 lone 4 100 - 4 - HA LEU 86 - HD2 ARG 26 lone 4 63 - 6 - HA LEU 86 - HD3 ARG 26 lone 3 62 - 5 - HA SER 60 - HD2 ARG 17 lone 3 100 - 3 - HA SER 60 - HD3 ARG 17 lone 3 100 - 3 - HA GLU 19 - HD2 ARG 26 lone 3 70 - 5 - HA ARG 17 - HD2 ARG 82 lone 3 92 - 3 - HA GLU 19 - HD3 ARG 26 lone 3 69 - 5 - HA LYS 39 - HD3 ARG 17 lone 3 63 - 5 - HA LYS 39 - HD2 ARG 17 lone 3 63 - 5 - HA ASP 38 - HD3 ARG 17 lone 3 100 - 3 - HA ASP 38 - HD2 ARG 17 lone 3 100 - 3 - HA LEU 64 - HD3 ARG 84 lone 3 80 - 3 - HA LYS 39 - HD2 ARG 82 lone 2 53 - 5 - HA LEU 64 - HD2 ARG 84 lone 2 78 - 3 - HA SER 60 - HD3 ARG 23 lone 2 100 - 2 - HA SER 60 - HD2 ARG 23 lone 2 100 - 2 - HA LEU 86 - HD2 ARG 23 lone 2 72 - 3 - HA LEU 86 - HD3 ARG 23 lone 2 72 - 3 - HA LEU 86 - HD2 ARG 71 lone 2 54 - 4 - HA GLU 19 - HD2 ARG 27 lone 2 76 - 3 - HA GLU 19 - HD3 ARG 27 lone 2 76 - 3 - HA THR 88 - HD2 ARG 71 lone 2 83 - 3 - HA LEU 86 - HD3 ARG 27 lone 2 69 - 3 - HA LEU 86 - HD2 ARG 27 lone 2 69 - 3 - HA THR 88 - HD3 ARG 84 lone 2 96 - 2 - HA ALA 12 - HD2 ARG 17 lone 2 83 - 3 - HA ALA 12 - HD3 ARG 17 lone 2 83 - 3 - HA THR 88 - HD2 ARG 84 lone 2 94 - 2 - HA GLU 19 - HD2 ARG 23 lone 2 79 - 3 - HA GLU 19 - HD3 ARG 23 lone 2 79 - 3 - HA LYS 39 - HD3 ARG 27 lone 2 59 - 3 - HA LYS 39 - HD2 ARG 27 lone 2 59 - 3 - HA LEU 64 - HD2 ARG 71 lone 2 66 - 3 - HA ASP 38 - HD2 ARG 26 lone 2 93 - 2 - HA LYS 39 - HD2 ARG 71 lone 2 45 - 4 - HA ASP 38 - HD3 ARG 26 lone 2 92 - 2 - HA ARG 17 - HD3 ARG 66 lone 2 33 - 5 - HA ASP 38 - HD2 ARG 23 lone 2 100 - 2 - HA ASP 38 - HD3 ARG 23 lone 2 100 - 2 - HA GLU 19 - HD3 ARG 84 lone 2 74 - 2 - HA ARG 17 - HD2 ARG 66 lone 2 30 - 5 - HA GLU 19 - HD2 ARG 84 lone 2 72 - 2 - HA LYS 39 - HD2 ARG 26 lone 2 54 - 3 - HA LYS 39 - HD3 ARG 26 lone 1 52 - 3 - HA ASP 38 - HD3 ARG 27 lone 1 98 - 1 - HA ASP 38 - HD2 ARG 27 lone 1 98 - 1 - HA ALA 20 - HD2 ARG 23 lone 1 87 - 2 - HA ALA 20 - HD3 ARG 23 lone 1 87 - 2 - HA ASP 38 - HD3 ARG 84 lone 1 97 - 1 - HA ALA 20 - HD2 ARG 26 lone 1 78 - 2 - HA ASP 38 - HD2 ARG 84 lone 1 94 - 1 - HA SER 60 - HD3 ARG 84 lone 1 97 - 1 - HA THR 88 - HD2 ARG 82 lone 1 92 - 1 - HA ALA 20 - HD3 ARG 26 lone 1 77 - 2 - HA SER 60 - HD2 ARG 27 lone 1 98 - 1 - HA SER 60 - HD3 ARG 27 lone 1 98 - 1 - HA SER 60 - HD2 ARG 84 lone 1 95 - 1 - HA ASP 38 - HD2 ARG 82 lone 1 92 - 1 - HA GLU 19 - HD2 ARG 71 lone 1 60 - 2 - HA ALA 20 - HD2 ARG 27 lone 1 84 - 2 - HA ALA 20 - HD3 ARG 27 lone 1 84 - 2 - HA ASP 38 - HD2 ARG 71 lone 1 83 - 2 - HA SER 60 - HD2 ARG 82 lone 1 92 - 1 - HA ALA 12 - HD2 ARG 26 lone 1 72 - 2 - HA SER 60 - HD2 ARG 26 lone 1 93 - 1 - HA ALA 20 - HD3 ARG 84 lone 1 82 - 2 - HA ALA 12 - HD3 ARG 26 lone 1 71 - 2 - HA SER 60 - HD3 ARG 26 lone 1 92 - 1 - HA SER 60 - HD2 ARG 71 lone 1 83 - 1 - HA ALA 20 - HD2 ARG 84 lone 1 80 - 2 - HA ALA 12 - HD3 ARG 84 lone 1 76 - 2 - HA ALA 12 - HD3 ARG 23 lone 1 81 - 1 - HA ALA 12 - HD2 ARG 23 lone 1 81 - 1 - HA GLU 19 - HD2 ARG 82 lone 1 69 - 2 - HA ALA 12 - HD3 ARG 27 lone 1 78 - 1 - HA ALA 12 - HD2 ARG 27 lone 1 78 - 1 - HA ALA 20 - HD2 ARG 82 lone 1 77 - 1 - HA ALA 12 - HD2 ARG 84 lone 1 74 - 2 - HA ASP 38 - HD3 ARG 66 lone 1 33 - 3 - 5355/3.4=1 HA ALA 20 - HD2 ARG 71 lone 1 68 - 2 - HA ALA 12 - HD2 ARG 82 lone 1 71 - 1 - HA ASP 38 - HD2 ARG 66 lone 1 30 - 3 - 5355/3.4=1 HA LEU 86 - HD2 ARG 82 lone 1 62 - 1 - HA ALA 12 - HD2 ARG 71 lone 1 62 - 1 - HA ALA 12 - HD3 ARG 66 lone 1 23 - 3 - HA ALA 20 - HD3 ARG 66 lone 1 25 - 3 - 5037/6.2=1 HA THR 88 - HD3 ARG 66 lone 1 33 - 2 - HA ALA 12 - HD2 ARG 66 lone 1 21 - 3 - HA SER 60 - HD3 ARG 66 lone 1 33 - 2 - HA GLU 19 - HD3 ARG 66 lone 1 22 - 3 - HA ALA 20 - HD2 ARG 66 lone 1 23 - 3 - 5037/6.2=1 HA THR 88 - HD2 ARG 66 lone 1 30 - 2 - HA LYS 39 - HD3 ARG 66 lone 1 16 - 4 - HA SER 60 - HD2 ARG 66 lone 1 30 - 2 - HA GLU 19 - HD2 ARG 66 lone 1 20 - 3 - HA LYS 39 - HD2 ARG 66 lone 1 14 - 4 - HA LEU 86 - HD3 ARG 66 lone 1 19 - 3 - HA LEU 86 - HD2 ARG 66 lone 0 18 - 3 - Peak 1196 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 2.88 A): 12 out of 154 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB2 ARG 23 + HD2 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB3 ARG 23 + HD3 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB3 ARG 23 + HD2 ARG 23 OK 72 98 - 73 - 3.5=55, 1286/2.9=8...(16) HB2 ARG 17 + HD2 ARG 17 OK 71 100 - 71 - 3.6=52, 1159/3.0=4...(23) * HB2 ARG 17 + HD3 ARG 17 OK 71 100 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 27 + HD3 ARG 27 OK 65 91 - 71 - 3.5=54, 3.0/1420=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 65 91 - 71 - 3.5=54, 3.0/1420=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 64 89 - 71 - 3.5=54, 3.0/1420=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 64 89 - 71 - 3.5=54, 3.0/1420=2...(13) HB2 ARG 71 + HD2 ARG 71 OK 48 74 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 + HD2 ARG 71 OK 47 72 - 66 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 27 85 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 26 83 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 26 83 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 26 82 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 17 OK 21 95 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 71 - HD2 ARG 17 OK 21 95 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 20 93 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 20 93 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 27 - HD2 ARG 23 OK 20 93 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD3 ARG 23 OK 20 93 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 20 92 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 20 92 - 22 - 1286/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 26 OK 19 85 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD2 ARG 26 OK 19 83 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 19 83 - 23 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD3 ARG 26 OK 18 82 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 17 - HD2 ARG 26 OK 15 93 - 16 - 1157/3.0=1 HB2 ARG 17 - HD3 ARG 26 OK 14 92 - 16 - 1157/3.0=1 HB2 ARG 71 - HD2 ARG 27 OK 12 91 - 13 - HB2 ARG 71 - HD3 ARG 27 OK 12 91 - 13 - HB2 ARG 17 - HD3 ARG 27 OK 12 98 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 12 98 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 89 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 12 89 - 13 - HB2 ARG 23 - HD3 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB2 ARG 23 - HD2 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB3 ARG 23 - HD2 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB3 ARG 23 - HD3 ARG 27 OK 12 96 - 12 - 3.0/1290=1 HB2 ARG 71 - HD3 ARG 23 OK 11 93 - 12 - HB2 ARG 71 - HD2 ARG 23 OK 11 93 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 11 92 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 11 92 - 12 - HB2 ARG 17 - HD2 ARG 71 OK 11 83 - 13 - 1157/3.0=2 HB2 ARG 27 - HD2 ARG 17 poor 10 95 - 10 - HB2 ARG 27 - HD3 ARG 17 poor 10 95 - 10 - HB3 ARG 27 - HD2 ARG 17 poor 10 93 - 10 - HB3 ARG 27 - HD3 ARG 17 poor 10 93 - 10 - HB2 ARG 17 - HD3 ARG 84 lone 9 97 - 10 - HB2 ARG 17 - HD2 ARG 84 lone 9 95 - 10 - HB2 ARG 17 - HD3 ARG 23 lone 9 100 - 9 - HB2 ARG 17 - HD2 ARG 23 lone 9 100 - 9 - HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD3 ARG 84 lone 8 87 - 9 - HB2 ARG 71 - HD2 ARG 84 lone 8 86 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB2 ARG 27 - HD2 ARG 71 lone 7 74 - 9 - HB3 ARG 27 - HD2 ARG 71 lone 7 72 - 9 - HB2 ARG 23 - HD2 ARG 17 lone 7 99 - 7 - HB2 ARG 23 - HD3 ARG 17 lone 7 99 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 99 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 99 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 6 91 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 6 90 - 6 - HB2 ARG 23 - HD3 ARG 26 lone 6 89 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 6 89 - 7 - HB2 ARG 71 - HD3 ARG 66 poor 6 28 - 20 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 6 28 - 20 - ~5167=1 HB2 LYS 73 - HD3 ARG 84 lone 5 82 - 6 - HB2 ARG 71 - HD2 ARG 66 poor 5 26 - 20 - ~5167=1 HB2 LYS 39 - HD3 ARG 23 lone 5 91 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 5 91 - 6 - HB2 LYS 73 - HD2 ARG 84 lone 5 80 - 6 - HB3 ARG 71 - HD2 ARG 66 poor 5 25 - 20 - ~5167=1 HB2 ARG 23 - HD2 ARG 71 lone 3 80 - 4 - HB3 ARG 23 - HD2 ARG 71 lone 3 79 - 4 - HB2 ARG 23 - HD2 ARG 82 lone 3 90 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 89 - 4 - HB ILE 89 - HD3 ARG 84 lone 3 84 - 4 - HB ILE 89 - HD2 ARG 84 lone 3 81 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 86 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 83 - 3 - HB2 LYS 73 - HD2 ARG 71 lone 3 68 - 4 - HB2 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HB2 ARG 23 - HD3 ARG 66 lone 2 32 - 7 - HB3 ARG 23 - HD3 ARG 66 lone 2 31 - 7 - HB ILE 89 - HD2 ARG 27 lone 2 86 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 86 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 89 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 89 - 2 - HB2 ARG 23 - HD2 ARG 66 lone 2 29 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 2 28 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HB3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HB2 ARG 23 - HD3 ARG 84 lone 2 94 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 94 - 2 - HB2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HB2 ARG 23 - HD2 ARG 84 lone 2 92 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 91 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 2 96 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD2 ARG 66 lone 2 25 - 6 - HB2 LYS 75 - HD2 ARG 84 lone 2 94 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 87 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 86 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB ILE 89 - HD3 ARG 17 lone 2 90 - 2 - HB ILE 89 - HD2 ARG 17 lone 2 90 - 2 - HB2 LYS 73 - HD2 ARG 82 lone 2 77 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 82 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 1 92 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 1 92 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 81 - 2 - HB ILE 89 - HD2 ARG 26 lone 1 80 - 1 - HB2 ARG 71 - HD2 ARG 82 lone 1 84 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 78 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 87 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 87 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 89 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 89 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 78 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 77 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 100 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 100 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 71 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 79 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 33 - 2 - HB2 LYS 39 - HD3 ARG 27 lone 1 88 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 88 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 84 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 84 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 92 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 82 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 30 - 2 - HB2 LYS 39 - HD3 ARG 26 lone 1 80 - 1 - HB ILE 89 - HD2 ARG 71 lone 1 69 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 98 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 98 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 93 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 91 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 27 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 24 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 33 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 25 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 30 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 23 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 26 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 24 - 0 - Peak 1197 from cnoeabs.peaks (1.74, 3.16, 43.10 ppm; 3.02 A): 7 out of 224 assignments used, quality = 1.00: HG3 ARG 26 + HD2 ARG 26 OK 92 92 - 100 - 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 91 91 - 100 - 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 - 100 - 3.0=100 * HB3 ARG 17 + HD3 ARG 17 OK 76 100 - 76 - 3.6=59, 1167/3.0=5...(15) HB3 ARG 17 + HD2 ARG 17 OK 76 100 - 76 - 3.6=59, 1167/3.0=5...(15) HB2 ARG 84 + HD3 ARG 84 OK 63 82 - 77 - 3.5=63, 1.8/3418=6...(14) HB2 ARG 84 + HD2 ARG 84 OK 61 80 - 77 - 3.5=63, 1.8/3418=6...(14) HB3 ARG 82 - HD2 ARG 82 OK 43 67 - 64 - 3.6=56, 5479/3.0=7...(7) HG3 ARG 71 - HD2 ARG 26 OK 29 90 - 32 - 2932/3.0=3, 2935/1.8=3...(8) HG3 ARG 71 - HD3 ARG 26 OK 28 89 - 32 - 2932/3.0=3, 2929/4.8=3...(8) HG3 ARG 71 - HD3 ARG 17 OK 23 99 - 23 - 2934/1.8=2, 2932/3.0=2...(8) HG3 ARG 71 - HD2 ARG 17 OK 23 99 - 23 - 2934/1.8=2, 2932/3.0=2...(8) HG3 ARG 26 - HD2 ARG 71 OK 20 81 - 24 - 1394/3.0=4, 1391/4.7=2...(8) HG3 ARG 26 - HD3 ARG 27 OK 16 97 - 17 - 1394/3.0=2, 1394/3.0=2...(7) HG3 ARG 26 - HD2 ARG 27 OK 16 97 - 17 - 1394/3.0=2, 1394/3.0=2...(7) HB3 ARG 17 - HD2 ARG 26 OK 15 93 - 17 - HB3 ARG 17 - HD3 ARG 26 OK 15 92 - 16 - HB3 ARG 17 - HD2 ARG 71 OK 15 83 - 18 - 1164/3.5=1, 1164/3.5=1...(5) HG3 ARG 71 - HD3 ARG 27 OK 14 96 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HG3 ARG 71 - HD2 ARG 27 OK 14 96 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HB3 ARG 17 - HD3 ARG 27 OK 14 98 - 14 - HB3 ARG 17 - HD2 ARG 27 OK 14 98 - 14 - HG3 ARG 26 - HD2 ARG 17 OK 13 100 - 13 - 1394/3.0=2, 1394/3.0=2, 1396=1 HG3 ARG 26 - HD3 ARG 17 OK 13 100 - 13 - 1394/3.0=2, 1394/3.0=2, 1396=1 HG3 ARG 71 - HD2 ARG 23 OK 10 98 - 10 - HG3 ARG 71 - HD3 ARG 23 OK 10 98 - 10 - HB3 ARG 17 - HD3 ARG 84 lone 9 97 - 9 - HB3 ARG 17 - HD2 ARG 23 lone 9 100 - 9 - HB3 ARG 17 - HD3 ARG 23 lone 9 100 - 9 - HB3 ARG 17 - HD2 ARG 84 lone 9 95 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 9 94 - 9 - 2934/1.8=1, 2934=1 HG3 ARG 71 - HD2 ARG 84 lone 9 91 - 9 - 2934/1.8=1, 2934=1 HB2 ARG 84 - HD3 ARG 17 lone 8 89 - 10 - HB2 ARG 84 - HD2 ARG 17 lone 8 89 - 10 - HG2 PRO 34 - HD2 ARG 26 poor 8 80 - 10 - 1723/3.5=1, 1723/3.5=1 HG2 PRO 34 - HD3 ARG 26 poor 8 78 - 10 - 1723/3.5=1, 1723/3.5=1 HB3 ARG 82 - HD2 ARG 23 poor 8 77 - 10 - 1.8/5889=1, ~5889=1, ~5480=1 HB3 ARG 82 - HD3 ARG 23 poor 8 77 - 10 - 1.8/5889=1, ~5889=1, ~5480=1 HB2 LEU 62 - HD2 ARG 26 lone 8 93 - 9 - 3.1/5958=1, ~5958=1, 4678/4.8=1 HB2 LEU 62 - HD3 ARG 26 lone 8 91 - 9 - ~5958=1, 3.1/5958=1, 4678/4.8=1 HG2 PRO 34 - HD2 ARG 71 lone 6 69 - 9 - 1723/3.5=1, 1723/3.5=1 HG3 ARG 26 - HD3 ARG 66 poor 6 32 - 20 - 1396=2, 1397/1.8=2, 1393/3.4=1 HG3 ARG 26 - HD2 ARG 66 poor 6 29 - 20 - 1396/1.8=2, 1396=2, 1393/3.4=1 HB3 LYS 85 - HD3 ARG 84 lone 5 74 - 7 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 71 - HD3 ARG 66 poor 5 31 - 16 - 2935/1.8=2 HB3 LYS 85 - HD2 ARG 84 lone 5 72 - 7 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 26 - HD3 ARG 23 lone 5 99 - 5 - HG3 ARG 26 - HD2 ARG 23 lone 5 99 - 5 - HB2 LEU 29 - HD3 ARG 84 lone 5 60 - 8 - HG3 ARG 71 - HD2 ARG 66 poor 5 28 - 16 - 2935/1.8=2 HB2 LEU 29 - HD2 ARG 84 lone 5 57 - 8 - HB2 ARG 84 - HD2 ARG 71 lone 4 68 - 6 - HB2 LEU 62 - HD2 ARG 71 lone 4 82 - 5 - HB2 ARG 84 - HD2 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HD3 ARG 26 lone 4 77 - 5 - HB2 LEU 62 - HD3 ARG 84 lone 4 96 - 4 - HG3 ARG 26 - HD3 ARG 84 lone 4 96 - 4 - HB2 LEU 62 - HD2 ARG 84 lone 3 94 - 4 - HG3 ARG 26 - HD2 ARG 84 lone 3 93 - 4 - HB3 LYS 83 - HD3 ARG 84 lone 3 62 - 5 - 4.3/5915=1 HB2 LYS 32 - HD2 ARG 71 lone 3 41 - 8 - HB3 LYS 32 - HD2 ARG 71 lone 3 41 - 8 - HB3 LYS 83 - HD2 ARG 84 lone 3 60 - 5 - 4.3/5915=1 HB2 LEU 62 - HD2 ARG 17 lone 3 100 - 3 - HB2 LEU 62 - HD3 ARG 17 lone 3 100 - 3 - HB3 ARG 82 - HD3 ARG 84 lone 3 72 - 4 - HB2 ARG 84 - HD3 ARG 23 lone 3 87 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 3 87 - 3 - HB2 ARG 84 - HD3 ARG 27 lone 3 84 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 3 84 - 3 - HB3 ARG 82 - HD2 ARG 84 lone 3 69 - 4 - HG2 PRO 34 - HD2 ARG 27 lone 2 86 - 3 - HG2 PRO 34 - HD3 ARG 27 lone 2 86 - 3 - HB2 LEU 62 - HD2 ARG 23 lone 2 99 - 2 - HB2 LEU 62 - HD3 ARG 23 lone 2 99 - 2 - HB2 LYS 32 - HD3 ARG 84 lone 2 52 - 4 - HB3 LYS 32 - HD3 ARG 84 lone 2 52 - 4 - HB2 LEU 29 - HD2 ARG 26 lone 2 56 - 4 - 5348/4.8=1 HB2 LYS 32 - HD2 ARG 84 lone 2 50 - 4 - HB3 LYS 32 - HD2 ARG 84 lone 2 50 - 4 - HB2 LEU 29 - HD3 ARG 26 lone 2 55 - 4 - 5348/4.8=1 HB3 ARG 82 - HD2 ARG 17 lone 2 78 - 2 - HB3 ARG 82 - HD3 ARG 17 lone 2 78 - 2 - HB2 ARG 54 - HD2 ARG 82 lone 2 67 - 3 - HB2 LEU 29 - HD2 ARG 71 lone 2 47 - 4 - 5348/4.7=1 HB2 LEU 62 - HD3 ARG 27 lone 2 98 - 2 - HB2 LEU 62 - HD2 ARG 27 lone 2 98 - 2 - HB2 ARG 84 - HD2 ARG 82 lone 2 77 - 2 - HB3 LYS 32 - HD3 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HD2 ARG 17 lone 2 57 - 3 - HB2 LYS 32 - HD3 ARG 17 lone 2 57 - 3 - HB3 LYS 32 - HD2 ARG 26 lone 2 49 - 3 - HB2 LYS 32 - HD2 ARG 26 lone 2 49 - 3 - HB3 LYS 32 - HD3 ARG 26 lone 2 48 - 3 - HB2 LYS 32 - HD3 ARG 26 lone 2 48 - 3 - HG2 PRO 34 - HD2 ARG 82 lone 1 79 - 2 - HB2 LEU 43 - HD2 ARG 26 lone 1 74 - 2 - HG3 ARG 71 - HD2 ARG 82 lone 1 89 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 1 73 - 2 - HB2 LEU 43 - HD3 ARG 84 lone 1 78 - 2 - HB2 LEU 62 - HD3 ARG 66 lone 1 33 - 4 - HB2 LEU 43 - HD2 ARG 84 lone 1 76 - 2 - HB2 LEU 29 - HD2 ARG 23 lone 1 64 - 2 - HB2 LEU 29 - HD3 ARG 23 lone 1 64 - 2 - HB3 ARG 82 - HD2 ARG 71 lone 1 58 - 2 - HB2 ARG 54 - HD3 ARG 84 lone 1 72 - 2 - HB2 LEU 62 - HD2 ARG 66 lone 1 30 - 4 - HB2 ARG 54 - HD2 ARG 84 lone 1 69 - 2 - HG2 PRO 34 - HD3 ARG 23 lone 1 89 - 1 - HG2 PRO 34 - HD2 ARG 23 lone 1 89 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 81 - 1 - HB3 LYS 85 - HD3 ARG 17 lone 1 81 - 1 - HB2 LEU 29 - HD2 ARG 82 lone 1 55 - 2 - HB3 LYS 83 - HD2 ARG 82 lone 1 58 - 2 - HG2 PRO 34 - HD3 ARG 17 lone 1 90 - 1 - HG2 PRO 34 - HD2 ARG 17 lone 1 90 - 1 - HB2 ARG 54 - HD2 ARG 23 lone 1 77 - 1 - HB2 ARG 54 - HD3 ARG 23 lone 1 77 - 1 - HB3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HB3 LYS 85 - HD2 ARG 71 lone 1 60 - 2 - HB3 ARG 82 - HD3 ARG 27 lone 1 74 - 1 - HB3 ARG 82 - HD2 ARG 27 lone 1 74 - 1 - HG2 PRO 34 - HD3 ARG 84 lone 1 84 - 1 - HG2 PRO 34 - HD2 ARG 84 lone 1 81 - 1 - HB2 LEU 29 - HD2 ARG 17 lone 1 65 - 1 - HB2 LEU 29 - HD3 ARG 17 lone 1 65 - 1 - HB2 LEU 57 - HD2 ARG 26 lone 1 66 - 1 - HB2 LEU 43 - HD2 ARG 71 lone 1 64 - 1 - HB2 LEU 57 - HD3 ARG 26 lone 1 64 - 1 - HB2 LYS 32 - HD3 ARG 27 lone 1 54 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 54 - 2 - HB3 LYS 32 - HD2 ARG 27 lone 1 54 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 54 - 2 - HB2 LEU 43 - HD2 ARG 27 lone 1 81 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 81 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 1 84 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 1 84 - 1 - HB3 LYS 32 - HD2 ARG 82 lone 1 48 - 2 - HB2 LYS 32 - HD2 ARG 82 lone 1 48 - 2 - HB2 LEU 43 - HD3 ARG 17 lone 1 85 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 1 85 - 1 - HB3 ARG 82 - HD2 ARG 26 lone 1 68 - 1 - HB3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HB2 LEU 43 - HD3 ARG 66 lone 1 24 - 4 - HB2 LEU 29 - HD3 ARG 66 lone 1 17 - 5 - HB3 ARG 82 - HD3 ARG 26 lone 1 66 - 1 - HB2 LEU 57 - HD2 ARG 23 lone 1 75 - 1 - HB2 LEU 57 - HD3 ARG 23 lone 1 75 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 1 91 - 1 - HB2 LEU 29 - HD2 ARG 27 lone 1 61 - 1 - HB2 LEU 29 - HD3 ARG 27 lone 1 61 - 1 - HB3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HB3 LYS 83 - HD2 ARG 17 lone 1 68 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 1 68 - 1 - HB2 ARG 54 - HD2 ARG 17 lone 1 78 - 1 - HB2 ARG 54 - HD3 ARG 17 lone 1 78 - 1 - HB2 LEU 43 - HD2 ARG 66 lone 1 21 - 4 - HB2 LEU 29 - HD2 ARG 66 lone 1 15 - 5 - HB2 ARG 54 - HD2 ARG 71 lone 1 58 - 1 - HB3 LYS 85 - HD2 ARG 82 lone 1 69 - 1 - HB2 LEU 57 - HD3 ARG 27 lone 1 72 - 1 - HB2 LEU 57 - HD2 ARG 27 lone 1 72 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 1 92 - 1 - HB2 ARG 54 - HD2 ARG 26 lone 1 68 - 1 - HB2 ARG 54 - HD3 ARG 26 lone 1 66 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 70 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 69 - 1 - HB2 LEU 57 - HD2 ARG 71 lone 1 56 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 1 76 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 1 76 - 1 - HB2 LEU 57 - HD3 ARG 17 lone 1 76 - 1 - HB2 LEU 57 - HD2 ARG 17 lone 1 76 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 1 79 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 1 79 - 1 - HB ILE 33 - HD2 ARG 26 lone 1 61 - 1 - HB ILE 33 - HD3 ARG 26 lone 1 60 - 1 - HB2 ARG 54 - HD3 ARG 27 lone 1 74 - 1 - HB2 ARG 54 - HD2 ARG 27 lone 1 74 - 1 - HB ILE 33 - HD2 ARG 27 lone 0 67 - 1 - HB ILE 33 - HD3 ARG 27 lone 0 67 - 1 - HB3 LYS 32 - HD3 ARG 66 lone 1 14 - 4 - HB2 LYS 32 - HD3 ARG 66 lone 1 14 - 4 - HB3 LYS 83 - HD2 ARG 71 lone 1 50 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 0 67 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 0 67 - 1 - HB ILE 33 - HD2 ARG 17 lone 0 71 - 1 - HB ILE 33 - HD3 ARG 17 lone 0 71 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 0 56 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 0 56 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 0 56 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 0 56 - 1 - HB ILE 33 - HD3 ARG 23 lone 0 70 - 1 - HB ILE 33 - HD2 ARG 23 lone 0 70 - 1 - HB2 LEU 57 - HD2 ARG 82 lone 0 65 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 0 73 - 1 - HG2 PRO 34 - HD3 ARG 66 lone 0 26 - 2 - HB3 LYS 32 - HD2 ARG 66 lone 0 13 - 4 - HB2 LYS 32 - HD2 ARG 66 lone 0 13 - 4 - HB2 LEU 57 - HD3 ARG 84 lone 0 70 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 0 59 - 1 - HB ILE 33 - HD2 ARG 82 lone 0 60 - 1 - HB2 LEU 57 - HD2 ARG 84 lone 0 67 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 57 - 1 - HB ILE 33 - HD2 ARG 71 lone 0 52 - 1 - HG2 PRO 34 - HD2 ARG 66 lone 0 24 - 2 - HB3 LYS 83 - HD3 ARG 27 lone 0 64 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 64 - 1 - HB2 LEU 57 - HD3 ARG 66 lone 0 20 - 2 - HB2 LEU 57 - HD2 ARG 66 lone 0 18 - 2 - HB ILE 33 - HD3 ARG 84 lone 0 65 - 0 - HB ILE 33 - HD2 ARG 84 lone 0 62 - 0 - HB3 ARG 82 - HD3 ARG 66 lone 0 21 - 1 - HB3 ARG 82 - HD2 ARG 66 lone 0 19 - 1 - HB ILE 33 - HD3 ARG 66 lone 0 19 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 0 25 - 1 - HB ILE 33 - HD2 ARG 66 lone 0 17 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 0 23 - 1 - HB2 ARG 54 - HD3 ARG 66 lone 0 21 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 0 22 - 1 - HB2 ARG 54 - HD2 ARG 66 lone 0 19 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 0 20 - 1 - HB3 LYS 83 - HD3 ARG 66 lone 0 18 - 1 - HB3 LYS 83 - HD2 ARG 66 lone 0 16 - 1 - Peak 1198 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 224 assignments used, quality = 1.00: * HG2 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG3 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 26 + HD2 ARG 26 OK 84 93 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 26 + HD3 ARG 26 OK 83 91 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 27 + HD3 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 81 89 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 81 89 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 71 + HD2 ARG 71 OK 72 83 - 87 - 3.0=85, 3.8/2902=2...(5) HG2 ARG 84 + HD3 ARG 84 OK 62 65 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD3 ARG 84 OK 62 65 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 71 - HD2 ARG 26 OK 24 93 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 26 OK 24 92 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD2 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 27 - HD2 ARG 26 OK 15 85 - 18 - 1394/3.0=2 HG2 ARG 26 - HD2 ARG 71 OK 15 82 - 18 - 2932/3.0=2, ~1394=1 HG3 ARG 27 - HD2 ARG 26 OK 15 83 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 14 83 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 14 82 - 18 - 1394/3.0=2 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG3 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 26 - HD2 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 92 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 92 - 12 - HG2 ARG 71 - HD2 ARG 27 OK 10 98 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 98 - 11 - HG3 ARG 70 - HD3 ARG 66 poor 10 32 - 31 - ~2871=2, ~2870=2...(9) HG3 ARG 70 - HD2 ARG 71 poor 9 81 - 12 - 2932/3.0=1, ~2870=1, 778/5.8=1 HG2 ARG 26 - HD3 ARG 17 lone 9 100 - 9 - HG2 ARG 26 - HD2 ARG 17 lone 9 100 - 9 - HG3 ARG 70 - HD2 ARG 66 poor 9 29 - 30 - ~2871=2, ~2870=2...(9) HG2 ARG 71 - HD3 ARG 23 lone 8 100 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 100 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 71 - HD3 ARG 84 lone 8 97 - 8 - HG2 ARG 71 - HD2 ARG 84 lone 7 94 - 8 - HD3 LYS 32 - HD2 ARG 71 lone 7 81 - 9 - HD2 LYS 32 - HD2 ARG 71 lone 7 79 - 9 - HG3 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG2 ARG 27 - HD2 ARG 71 lone 7 74 - 9 - 2932/3.0=1 HG3 ARG 27 - HD2 ARG 71 lone 6 72 - 9 - 2932/3.0=1 HG2 ARG 27 - HD3 ARG 17 lone 6 95 - 6 - HG2 ARG 27 - HD2 ARG 17 lone 6 95 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 93 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 93 - 6 - HG3 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 6 94 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 6 95 - 6 - HG2 ARG 26 - HD3 ARG 66 poor 5 33 - 16 - 1.8/1396=1 HB2 LEU 86 - HD2 ARG 17 lone 5 100 - 5 - HB2 LEU 86 - HD3 ARG 17 lone 5 100 - 5 - HG2 ARG 84 - HD3 ARG 17 lone 5 71 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 5 71 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 5 71 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 5 71 - 7 - HG2 ARG 26 - HD2 ARG 66 poor 5 30 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 5 33 - 14 - ~2935=1, 2927/1.8=1 HD3 LYS 73 - HD2 ARG 71 lone 4 79 - 5 - HD2 LYS 73 - HD2 ARG 71 lone 4 79 - 5 - HG2 ARG 71 - HD2 ARG 66 poor 4 30 - 14 - ~2935=1, 2927/1.8=1 HG3 ARG 70 - HD2 ARG 26 lone 4 92 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 99 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 99 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 3 90 - 4 - HB2 LEU 86 - HD2 ARG 26 lone 3 93 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 92 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 95 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 90 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 94 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 94 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 94 - 3 - HG2 ARG 84 - HD2 ARG 71 lone 3 52 - 6 - HG3 ARG 84 - HD2 ARG 71 lone 3 52 - 6 - HD3 LYS 32 - HD2 ARG 84 lone 3 93 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 90 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 91 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 83 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 83 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 3 96 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 3 94 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 61 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 61 - 4 - HB2 LEU 86 - HD2 ARG 84 lone 3 94 - 3 - HG3 ARG 84 - HD3 ARG 26 lone 3 60 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 60 - 4 - HG3 ARG 70 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 99 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 72 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 95 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD2 ARG 84 lone 2 93 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 71 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 82 - 2 - HG2 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HG3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HG LEU 86 - HD3 ARG 84 lone 2 76 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 2 99 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 2 99 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 2 99 - 2 - HG LEU 86 - HD2 ARG 84 lone 2 74 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 2 97 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 2 97 - 2 - HG2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HD2 LYS 73 - HD2 ARG 26 lone 2 90 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 90 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 70 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 70 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 2 70 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 2 70 - 2 - HG3 ARG 27 - HD2 ARG 66 lone 2 25 - 6 - HD2 LYS 73 - HD3 ARG 26 lone 2 89 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 89 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD2 ARG 23 lone 1 99 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 99 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 97 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 96 - 1 - HG LEU 86 - HD2 ARG 71 lone 1 62 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 67 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 67 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 67 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 67 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 89 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 87 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 86 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 85 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 92 - 1 - HG2 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG LEU 86 - HD2 ARG 23 lone 1 81 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 81 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 78 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 78 - 1 - HG2 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HD3 LYS 73 - HD3 ARG 23 lone 1 98 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 98 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 78 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 76 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 89 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 89 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 91 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 99 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 99 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 99 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 99 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 89 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 60 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 60 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 74 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 73 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 85 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 85 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 91 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 64 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 1 84 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 1 84 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 33 - 2 - HD3 LYS 32 - HD3 ARG 66 lone 1 32 - 2 - HB2 LEU 86 - HD2 ARG 66 lone 0 29 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 0 31 - 2 - HB2 LEU 86 - HD2 ARG 82 lone 0 92 - 0 - HD3 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HB3 LEU 51 - HD2 ARG 82 lone 0 73 - 1 - HG LEU 86 - HD3 ARG 66 lone 0 23 - 2 - HD2 LYS 32 - HD2 ARG 66 lone 0 28 - 2 - HB3 LEU 51 - HD3 ARG 27 lone 0 81 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 81 - 0 - HG LEU 86 - HD2 ARG 66 lone 0 21 - 2 - HG LEU 86 - HD2 ARG 82 lone 0 71 - 0 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 24 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 21 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 19 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 19 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 17 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 17 - 1 - Peak 1199 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 224 assignments used, quality = 1.00: HG3 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) * HG3 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 89 100 - 89 - 3.0=86, 1167/3.6=3...(9) HG2 ARG 26 + HD2 ARG 26 OK 84 93 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG2 ARG 27 + HD3 ARG 27 OK 83 92 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 83 92 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 26 + HD3 ARG 26 OK 83 92 - 90 - 3.0=89, 1362/4.8=1, 4.9/532=1 HG3 ARG 27 + HD3 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 82 91 - 90 - 3.0=88, 1439/5.4=2...(5) HG2 ARG 71 + HD2 ARG 71 OK 72 83 - 87 - 3.0=85, 3.8/2902=2...(5) HG3 ARG 84 + HD3 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD3 ARG 84 OK 59 62 - 95 - 2.9=94, 3.0/3418=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 57 60 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 57 60 - 95 - 2.9=94, 3.0/3418=4...(11) HG2 ARG 71 - HD2 ARG 26 OK 24 93 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 26 OK 24 92 - 26 - 1394/3.0=3, ~2935=2...(5) HG2 ARG 71 - HD3 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD2 ARG 17 OK 17 100 - 18 - 1.8/2934=2, ~2934=1, 2926/1.8=1 HG2 ARG 27 - HD2 ARG 26 OK 15 86 - 18 - 1394/3.0=2 HG3 ARG 27 - HD2 ARG 26 OK 15 85 - 18 - 1394/3.0=2 HG2 ARG 26 - HD2 ARG 71 OK 15 83 - 18 - 2932/3.0=2, ~1394=1 HG2 ARG 27 - HD3 ARG 26 OK 15 84 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 14 83 - 18 - 1394/3.0=2 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 17 - HD2 ARG 71 OK 13 83 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 26 - HD2 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 11 98 - 12 - 1.8/1396=1 HG2 ARG 27 - HD3 ARG 23 OK 11 95 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 11 95 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG2 ARG 71 - HD2 ARG 27 OK 10 98 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 98 - 11 - HG3 ARG 70 - HD3 ARG 66 poor 10 32 - 31 - ~2871=2, ~2870=2...(9) HG3 ARG 70 - HD2 ARG 71 poor 9 80 - 12 - 2932/3.0=1, ~2870=1, 778/5.8=1 HG2 ARG 26 - HD2 ARG 17 lone 9 100 - 9 - HG2 ARG 26 - HD3 ARG 17 lone 9 100 - 9 - HG3 ARG 70 - HD2 ARG 66 poor 9 29 - 30 - ~2871=2, ~2870=2...(9) HG2 ARG 71 - HD2 ARG 23 lone 8 100 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 100 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 98 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 98 - 8 - HG2 ARG 71 - HD3 ARG 84 lone 8 97 - 8 - HG2 ARG 71 - HD2 ARG 84 lone 7 95 - 8 - HD3 LYS 32 - HD2 ARG 71 lone 7 80 - 9 - HD2 LYS 32 - HD2 ARG 71 lone 7 78 - 9 - HG2 ARG 27 - HD2 ARG 71 lone 7 75 - 9 - 2932/3.0=1 HG3 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 7 100 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 7 100 - 6 - HG3 ARG 27 - HD2 ARG 71 lone 6 74 - 9 - 2932/3.0=1 HG2 ARG 27 - HD2 ARG 17 lone 6 96 - 6 - HG2 ARG 27 - HD3 ARG 17 lone 6 96 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 95 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 95 - 6 - HG3 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 6 97 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 6 95 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 6 94 - 6 - HG2 ARG 26 - HD3 ARG 66 poor 5 33 - 16 - 1.8/1396=1 HB2 LEU 86 - HD3 ARG 17 lone 5 100 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 5 100 - 5 - HG2 ARG 84 - HD3 ARG 17 lone 5 68 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 5 68 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 5 68 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 5 68 - 7 - HG2 ARG 26 - HD2 ARG 66 poor 5 30 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 5 33 - 14 - ~2935=1, 2927/1.8=1 HD2 LYS 73 - HD2 ARG 71 lone 4 78 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 4 78 - 5 - HG2 ARG 71 - HD2 ARG 66 poor 4 30 - 14 - ~2935=1, 2927/1.8=1 HG3 ARG 70 - HD2 ARG 26 lone 4 91 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 100 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 100 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 3 89 - 4 - HB2 LEU 86 - HD2 ARG 26 lone 3 92 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 94 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 91 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 93 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 93 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 93 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 92 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 88 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 91 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 91 - 3 - HG3 ARG 84 - HD2 ARG 71 lone 3 50 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 3 50 - 6 - HG2 ARG 26 - HD3 ARG 84 lone 3 96 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 3 94 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 81 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 81 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 3 93 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 59 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 59 - 4 - HG3 ARG 70 - HD2 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 84 - HD3 ARG 26 lone 2 57 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 2 57 - 4 - HD3 LYS 32 - HD2 ARG 17 lone 2 99 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 99 - 2 - HG3 ARG 70 - HD3 ARG 84 lone 2 94 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 98 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 98 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 70 - 3 - HG3 ARG 70 - HD2 ARG 84 lone 2 92 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 69 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 81 - 2 - HG2 ARG 27 - HD3 ARG 66 lone 2 29 - 6 - HG3 ARG 27 - HD3 ARG 66 lone 2 28 - 6 - HD2 LYS 73 - HD3 ARG 17 lone 2 98 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 2 98 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 2 98 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 2 98 - 2 - HG LEU 86 - HD3 ARG 84 lone 2 74 - 2 - HG2 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HG LEU 86 - HD2 ARG 84 lone 2 72 - 2 - HG3 ARG 27 - HD2 ARG 66 lone 2 26 - 6 - HG3 ARG 70 - HD3 ARG 27 lone 2 96 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 2 96 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 2 89 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 89 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 97 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 97 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 2 88 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 88 - 2 - HB2 LEU 86 - HD3 ARG 23 lone 1 99 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 99 - 1 - HG2 ARG 84 - HD2 ARG 23 lone 1 67 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 1 67 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 1 67 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 1 67 - 2 - HD3 LYS 32 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 96 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 95 - 1 - HG LEU 86 - HD2 ARG 71 lone 1 60 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 64 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 64 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 90 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 89 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 87 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 86 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 92 - 1 - HG2 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 1 33 - 3 - HG LEU 86 - HD3 ARG 23 lone 1 79 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 79 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 76 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 76 - 1 - HG2 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 1 30 - 3 - HD3 LYS 73 - HD3 ARG 23 lone 1 97 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 97 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 76 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 92 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 88 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 88 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 74 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 90 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 98 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 98 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 98 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 97 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 88 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 58 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 58 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 72 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 71 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 1 92 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 83 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 83 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 90 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 62 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 1 84 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 32 - 2 - HB3 LEU 51 - HD2 ARG 23 lone 0 81 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 81 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 32 - 2 - HB2 LEU 86 - HD2 ARG 66 lone 0 29 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 0 31 - 2 - HB2 LEU 86 - HD2 ARG 82 lone 0 91 - 0 - HD3 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HB3 LEU 51 - HD2 ARG 82 lone 0 71 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 0 28 - 2 - HG LEU 86 - HD3 ARG 66 lone 0 22 - 2 - HB3 LEU 51 - HD3 ARG 27 lone 0 78 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 78 - 0 - HG LEU 86 - HD2 ARG 82 lone 0 69 - 0 - HG LEU 86 - HD2 ARG 66 lone 0 20 - 2 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 0 28 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 23 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 21 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 18 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 18 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 16 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 16 - 1 - Peak 1200 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 14 assignments used, quality = 1.00: HD3 ARG 17 + HD3 ARG 17 OK 100 100 - 100 HD2 ARG 17 + HD2 ARG 17 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 95 95 - 100 HD3 ARG 27 + HD3 ARG 27 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 91 91 - 100 HD2 ARG 84 + HD2 ARG 84 OK 86 86 - 100 HD2 ARG 82 + HD2 ARG 82 OK 85 85 - 100 HD2 ARG 26 + HD2 ARG 26 OK 83 83 - 100 HD3 ARG 26 + HD3 ARG 26 OK 80 80 - 100 HD2 ARG 71 + HD2 ARG 71 OK 62 62 - 100 HD3 ARG 66 - HD3 ARG 66 OK 17 17 - 100 HD2 ARG 66 - HD2 ARG 66 OK 14 14 - 100 Reference assignment not found: HD2 ARG 17 - HD3 ARG 17 Peak 1201 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 14 assignments used, quality = 1.00: * HD3 ARG 17 + HD3 ARG 17 OK 100 100 - 100 HD2 ARG 17 + HD2 ARG 17 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 95 95 - 100 HD3 ARG 27 + HD3 ARG 27 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 91 91 - 100 HD2 ARG 84 + HD2 ARG 84 OK 86 86 - 100 HD2 ARG 82 + HD2 ARG 82 OK 85 85 - 100 HD2 ARG 26 + HD2 ARG 26 OK 83 83 - 100 HD3 ARG 26 + HD3 ARG 26 OK 80 80 - 100 HD2 ARG 71 + HD2 ARG 71 OK 62 62 - 100 HD3 ARG 66 - HD3 ARG 66 OK 17 17 - 100 HD2 ARG 66 - HD2 ARG 66 OK 14 14 - 100 Peak 1202 from cnoeabs.peaks (3.93, 3.93, 45.09 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HA2 GLY 18 + HA2 GLY 18 OK 100 100 - 100 HA3 GLY 18 + HA3 GLY 18 OK 100 100 - 100 HA3 GLY 21 - HA3 GLY 21 OK 44 44 - 100 HA2 GLY 21 - HA2 GLY 21 OK 40 40 - 100 Peak 1203 from cnoeabs.peaks (3.93, 3.93, 45.09 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HA3 GLY 18 + HA3 GLY 18 OK 100 100 - 100 HA2 GLY 18 + HA2 GLY 18 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 45 45 - 100 HA2 GLY 21 - HA2 GLY 21 OK 42 42 - 100 Reference assignment not found: HA3 GLY 18 - HA2 GLY 18 Peak 1204 from cnoeabs.peaks (3.93, 3.93, 45.09 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HA3 GLY 18 + HA3 GLY 18 OK 100 100 - 100 HA2 GLY 18 + HA2 GLY 18 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 45 45 - 100 HA2 GLY 21 - HA2 GLY 21 OK 42 42 - 100 Reference assignment not found: HA2 GLY 18 - HA3 GLY 18 Peak 1205 from cnoeabs.peaks (3.93, 3.93, 45.09 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA3 GLY 18 + HA3 GLY 18 OK 100 100 - 100 HA2 GLY 18 + HA2 GLY 18 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 47 47 - 100 HA2 GLY 21 - HA2 GLY 21 OK 44 44 - 100 Peak 1206 from cnoeabs.peaks (8.32, 4.26, 56.28 ppm; 3.68 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 19 + HA GLU 19 OK 100 100 - 100 - 3.0=100 H LYS 83 + HA LYS 83 OK 87 87 - 100 - 2.9=100 H LYS 83 - HA LYS 85 OK 13 49 - 27 - 831=5, 3297/3.0=5...(11) H LYS 83 - HA GLU 19 OK 11 97 - 11 - 831=3, 1218/3.0=1, 1212/3.0=1 H GLU 19 - HA LYS 83 poor 9 92 - 10 - 492=3 H GLU 19 - HA ARG 17 lone 5 80 - 6 - 492=1 H ASP 24 - HA GLU 19 lone 4 93 - 4 - H ASP 24 - HA ARG 17 lone 2 70 - 3 - H LYS 83 - HA ARG 17 lone 2 75 - 3 - H ASP 24 - HA LYS 83 lone 2 82 - 2 - H GLU 19 - HA LYS 85 lone 2 54 - 4 - H ASP 24 - HA LYS 85 lone 1 46 - 1 - Peak 1207 from cnoeabs.peaks (4.26, 4.26, 56.28 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA GLU 19 + HA GLU 19 OK 100 100 - 100 HA LYS 83 + HA LYS 83 OK 82 82 - 100 HA ARG 17 + HA ARG 17 OK 58 58 - 100 HA LYS 85 - HA LYS 85 OK 27 27 - 100 Peak 1208 from cnoeabs.peaks (1.91, 4.26, 56.28 ppm; 3.53 A): 2 out of 44 assignments used, quality = 1.00: * HB2 GLU 19 + HA GLU 19 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 + HA GLU 19 OK 52 100 - 53 - 1.8/1209=7, 1213=6...(25) HB ILE 68 - HA GLU 19 OK 12 95 - 12 - 2749/3.6=4, 3.9/3720=2 HG13 ILE 68 - HA GLU 19 OK 12 93 - 12 - 2770/3.6=4, 4.5/3720=1...(4) HB2 GLU 19 - HA LYS 83 OK 11 92 - 12 - 1213=2, 1.8/1209=1...(4) HB2 GLN 91 - HA GLU 19 OK 11 95 - 11 - 1.8/1209=1, ~3661=1, ~3662=1 HB VAL 41 - HA GLU 19 lone 8 83 - 9 - 2.1/4337=2, 4333=1, 2.1/4334=1 HB3 ARG 26 - HA ARG 17 poor 6 41 - 16 - 3.0/1149=2, 4.6/5485=1 HG12 ILE 40 - HA GLU 19 lone 5 100 - 5 - 493/3.0=1 HB2 GLU 19 - HA ARG 17 lone 5 80 - 6 - HB VAL 41 - HA LYS 83 lone 4 71 - 5 - HB3 GLU 87 - HA LYS 83 lone 3 92 - 3 - HB ILE 68 - HA LYS 83 lone 3 83 - 3 - HG12 ILE 40 - HA LYS 83 lone 3 91 - 3 - HG13 ILE 68 - HA LYS 83 lone 3 82 - 3 - HB3 GLU 87 - HA ARG 17 lone 3 80 - 3 - HB ILE 68 - HA LYS 85 lone 2 47 - 5 - HB3 ARG 26 - HA GLU 19 lone 2 60 - 3 - HG12 ILE 40 - HA LYS 85 lone 2 53 - 4 - HB3 PRO 14 - HA GLU 19 lone 2 76 - 2 - HB VAL 41 - HA ARG 17 lone 2 60 - 3 - HB3 PRO 14 - HA LYS 83 lone 2 64 - 3 - 4.0/477=1 HB2 GLU 19 - HA LYS 85 lone 2 54 - 3 - HG13 ILE 68 - HA LYS 85 lone 2 46 - 3 - HB ILE 68 - HA ARG 17 lone 1 71 - 2 - HB2 MET 31 - HA GLU 19 lone 1 68 - 2 - HB3 GLU 87 - HA LYS 85 lone 1 54 - 3 - HG13 ILE 68 - HA ARG 17 lone 1 70 - 2 - HB2 MET 11 - HA GLU 19 lone 1 71 - 2 - HG12 ILE 40 - HA ARG 17 lone 1 79 - 1 - HB3 PRO 14 - HA LYS 85 lone 1 34 - 3 - HB VAL 41 - HA LYS 85 lone 1 38 - 2 - HB2 GLN 91 - HA LYS 83 lone 1 83 - 1 - HB3 ARG 26 - HA LYS 83 lone 1 50 - 2 - HB2 MET 31 - HA ARG 17 lone 1 48 - 2 - HB2 MET 31 - HA LYS 83 lone 1 57 - 1 - HB2 GLN 91 - HA ARG 17 lone 1 71 - 1 - HB3 ARG 26 - HA LYS 85 lone 1 26 - 2 - HB2 MET 11 - HA LYS 83 lone 1 59 - 1 - HB2 MET 11 - HA ARG 17 lone 1 50 - 1 - HB3 PRO 14 - HA ARG 17 lone 0 54 - 1 - HB2 GLN 91 - HA LYS 85 lone 0 47 - 1 - HB2 MET 31 - HA LYS 85 lone 0 30 - 1 - HB2 MET 11 - HA LYS 85 lone 0 31 - 1 - Peak 1209 from cnoeabs.peaks (2.04, 4.26, 56.28 ppm; 3.42 A): 2 out of 64 assignments used, quality = 1.00: * HB3 GLU 19 + HA GLU 19 OK 100 100 - 100 - 3.0=100 HB2 GLU 87 + HA GLU 19 OK 50 99 - 51 - 1.8/1208=6, 1219=5...(26) HB3 GLU 19 - HA LYS 83 OK 10 92 - 11 - 1.8/1208=1, 1219=1...(4) HB3 GLN 91 - HA GLU 19 OK 10 100 - 10 - 1.8/1208=1, ~3661=1 HB2 GLU 50 - HA GLU 19 lone 8 100 - 8 - HB3 GLU 50 - HA GLU 19 lone 8 100 - 8 - HB2 GLU 25 - HA GLU 19 lone 7 92 - 7 - HB3 GLU 25 - HA GLU 19 lone 7 90 - 7 - HB3 GLU 19 - HA ARG 17 lone 5 80 - 6 - HD2 ARG 69 - HA GLU 19 lone 4 99 - 4 - HD3 ARG 69 - HA GLU 19 lone 4 99 - 4 - HB VAL 76 - HA LYS 83 lone 3 90 - 4 - HD2 ARG 69 - HA LYS 85 lone 3 51 - 6 - HD3 ARG 69 - HA LYS 85 lone 3 51 - 6 - HD2 ARG 69 - HA LYS 83 lone 3 89 - 3 - HD3 ARG 69 - HA LYS 83 lone 3 89 - 3 - HB2 GLU 87 - HA LYS 83 lone 3 89 - 3 - HB VAL 76 - HA GLU 19 lone 3 99 - 2 - HB2 GLU 87 - HA ARG 17 lone 2 78 - 3 - HB VAL 76 - HA LYS 85 lone 2 52 - 4 - HB3 PRO 56 - HA GLU 19 lone 1 99 - 1 - HB2 GLU 25 - HA LYS 83 lone 1 80 - 2 - HB3 GLU 25 - HA LYS 83 lone 1 78 - 2 - HB3 GLU 19 - HA LYS 85 lone 1 54 - 3 - HB2 GLU 25 - HA ARG 17 lone 1 68 - 2 - HG2 PRO 44 - HA LYS 83 lone 1 88 - 1 - HB3 GLU 25 - HA ARG 17 lone 1 67 - 2 - HG2 PRO 44 - HA GLU 19 lone 1 98 - 1 - HG2 PRO 56 - HA GLU 19 lone 1 100 - 1 - HB VAL 90 - HA GLU 19 lone 1 83 - 2 - HB2 GLU 87 - HA LYS 85 lone 1 52 - 2 - HG2 ARG 66 - HA GLU 19 lone 1 63 - 2 - HG2 PRO 44 - HA LYS 85 lone 1 50 - 2 - HB2 GLU 50 - HA LYS 83 lone 1 92 - 1 - HB3 GLU 50 - HA LYS 83 lone 1 92 - 1 - HB3 GLN 91 - HA LYS 83 lone 1 92 - 1 - HG2 ARG 66 - HA ARG 17 lone 1 44 - 2 - HB3 GLU 50 - HA ARG 17 lone 1 80 - 1 - HB2 GLU 50 - HA ARG 17 lone 1 80 - 1 - HG2 ARG 66 - HA LYS 83 lone 1 52 - 1 - HB2 GLU 25 - HA LYS 85 lone 1 44 - 2 - HB3 GLU 25 - HA LYS 85 lone 1 43 - 2 - HB VAL 90 - HA LYS 83 lone 1 71 - 1 - HB3 PRO 56 - HA LYS 83 lone 1 89 - 1 - HD3 ARG 69 - HA ARG 17 lone 1 77 - 1 - HD2 ARG 69 - HA ARG 17 lone 1 77 - 1 - HB3 GLN 91 - HA ARG 17 lone 1 80 - 1 - HG2 PRO 56 - HA LYS 83 lone 1 92 - 1 - HB VAL 90 - HA LYS 85 lone 1 38 - 2 - HB VAL 76 - HA ARG 17 lone 1 78 - 1 - HG2 PRO 44 - HA ARG 17 lone 1 76 - 1 - HB3 PRO 56 - HA ARG 17 lone 0 78 - 1 - HB3 GLU 50 - HA LYS 85 lone 1 54 - 1 - HB2 GLU 50 - HA LYS 85 lone 1 54 - 1 - HB VAL 45 - HA GLU 19 lone 0 65 - 1 - HG2 PRO 56 - HA ARG 17 lone 0 80 - 1 - HB VAL 90 - HA ARG 17 lone 0 60 - 1 - HB3 GLN 91 - HA LYS 85 lone 0 54 - 1 - HG2 ARG 66 - HA LYS 85 lone 0 27 - 1 - HB3 PRO 56 - HA LYS 85 lone 0 52 - 1 - HB VAL 45 - HA LYS 83 lone 0 55 - 1 - HG2 PRO 56 - HA LYS 85 lone 0 54 - 1 - HB VAL 45 - HA ARG 17 lone 0 46 - 0 - HB VAL 45 - HA LYS 85 lone 0 28 - 0 - Peak 1210 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.67 A): 4 out of 24 assignments used, quality = 1.00: HG3 GLU 19 + HA GLU 19 OK 93 100 - 93 - 3.9=86, 496/3.0=7...(22) * HG2 GLU 19 + HA GLU 19 OK 93 100 - 93 - 3.9=86, 496/3.0=7...(22) HG3 GLU 87 + HA GLU 19 OK 47 92 - 52 - 3.0/1208=6, 3.0/1209=5...(28) HG2 GLU 87 + HA GLU 19 OK 46 90 - 52 - 3.0/1208=6, 3.0/1209=5...(28) HG3 GLU 19 - HA LYS 83 lone 8 92 - 8 - 3.0/1208=1, 3.0/1209=1 HG2 GLU 19 - HA LYS 83 lone 8 92 - 8 - 3.0/1208=1, 3.0/1209=1 HG3 GLU 50 - HA GLU 19 lone 5 73 - 6 - HG2 GLU 25 - HA GLU 19 lone 4 63 - 6 - HG2 GLU 19 - HA ARG 17 lone 3 80 - 3 - HG3 GLU 19 - HA ARG 17 lone 3 80 - 3 - HG3 GLU 87 - HA LYS 83 lone 3 80 - 3 - HG2 GLU 87 - HA LYS 83 lone 3 78 - 3 - HG3 GLU 87 - HA ARG 17 lone 1 68 - 2 - HG2 GLU 87 - HA ARG 17 lone 1 67 - 2 - HG2 GLU 25 - HA LYS 83 lone 1 52 - 2 - HG3 GLU 19 - HA LYS 85 lone 1 54 - 2 - HG2 GLU 19 - HA LYS 85 lone 1 54 - 2 - HG3 GLU 87 - HA LYS 85 lone 1 44 - 2 - HG2 GLU 87 - HA LYS 85 lone 1 43 - 2 - HG2 GLU 25 - HA ARG 17 lone 1 44 - 2 - HG3 GLU 50 - HA LYS 83 lone 1 62 - 1 - HG3 GLU 50 - HA ARG 17 lone 1 52 - 1 - HG2 GLU 25 - HA LYS 85 lone 0 27 - 2 - HG3 GLU 50 - HA LYS 85 lone 0 33 - 1 - Peak 1211 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.67 A): 4 out of 24 assignments used, quality = 1.00: * HG3 GLU 19 + HA GLU 19 OK 93 100 - 93 - 3.9=86, 496/3.0=7...(22) HG2 GLU 19 + HA GLU 19 OK 93 100 - 93 - 3.9=86, 496/3.0=7...(22) HG3 GLU 87 + HA GLU 19 OK 47 92 - 52 - 3.0/1208=6, 3.0/1209=5...(28) HG2 GLU 87 + HA GLU 19 OK 46 90 - 52 - 3.0/1208=6, 3.0/1209=5...(28) HG3 GLU 19 - HA LYS 83 lone 8 92 - 8 - 3.0/1208=1, 3.0/1209=1 HG2 GLU 19 - HA LYS 83 lone 8 92 - 8 - 3.0/1208=1, 3.0/1209=1 HG3 GLU 50 - HA GLU 19 lone 5 73 - 6 - HG2 GLU 25 - HA GLU 19 lone 4 63 - 6 - HG2 GLU 19 - HA ARG 17 lone 3 80 - 3 - HG3 GLU 19 - HA ARG 17 lone 3 80 - 3 - HG3 GLU 87 - HA LYS 83 lone 3 80 - 3 - HG2 GLU 87 - HA LYS 83 lone 3 78 - 3 - HG3 GLU 87 - HA ARG 17 lone 1 68 - 2 - HG2 GLU 87 - HA ARG 17 lone 1 67 - 2 - HG2 GLU 25 - HA LYS 83 lone 1 52 - 2 - HG3 GLU 19 - HA LYS 85 lone 1 54 - 2 - HG2 GLU 19 - HA LYS 85 lone 1 54 - 2 - HG3 GLU 87 - HA LYS 85 lone 1 44 - 2 - HG2 GLU 87 - HA LYS 85 lone 1 43 - 2 - HG2 GLU 25 - HA ARG 17 lone 1 44 - 2 - HG3 GLU 50 - HA LYS 83 lone 1 62 - 1 - HG3 GLU 50 - HA ARG 17 lone 1 52 - 1 - HG2 GLU 25 - HA LYS 85 lone 0 27 - 2 - HG3 GLU 50 - HA LYS 85 lone 0 33 - 1 - Peak 1212 from cnoeabs.peaks (8.32, 1.91, 30.05 ppm; 4.55 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.9=100 H GLU 19 + HB3 GLU 87 OK 46 92 - 51 - 493=11, 494/1.8=9...(15) H LYS 83 - HB2 GLU 19 OK 13 97 - 13 - 1218/1.8=3, 831/3.0=2...(7) H ASP 24 - HB3 ARG 26 poor 9 50 - 18 - 903/4.6=4, ~4157=3...(8) H GLU 19 - HB2 GLN 91 poor 6 55 - 10 - 493=2, 494/1.8=2...(4) H LYS 83 - HB3 GLU 87 lone 4 86 - 5 - H ASP 24 - HB2 GLU 19 lone 4 93 - 4 - 1218/1.8=1 H GLU 19 - HB3 ARG 26 lone 2 59 - 4 - H ASP 24 - HB3 GLU 87 lone 2 81 - 2 - H LYS 83 - HB3 ARG 26 lone 1 55 - 2 - H ASP 24 - HB2 GLN 91 lone 1 46 - 2 - H LYS 83 - HB2 GLN 91 lone 1 50 - 2 - Peak 1213 from cnoeabs.peaks (4.26, 1.91, 30.05 ppm; 3.74 A): 2 out of 56 assignments used, quality = 1.00: * HA GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.0=100 HA GLU 19 + HB3 GLU 87 OK 54 92 - 60 - 1208=9, 1209/1.8=7...(26) HA ALA 20 - HB2 GLU 19 OK 37 100 - 38 - ~29=7, ~498=4, ~27=4...(17) HA ALA 20 - HB3 GLU 87 OK 19 91 - 22 - 3.0/28=3, ~29=3...(9) HA THR 88 - HB2 GLU 19 OK 13 76 - 18 - 3.0/5901=4, ~5275=3...(7) HA LYS 83 - HB2 GLU 19 OK 13 93 - 14 - 1208=2, 1209/1.8=2...(5) HA THR 88 - HB3 GLU 87 OK 12 64 - 19 - ~402=10, 3.0/4032=5...(4) HA LEU 64 - HB2 GLU 19 lone 10 100 - 10 - 6135/4.6=3, 492/3.9=1 HA ARG 17 - HB3 ARG 26 poor 8 41 - 19 - 1149/3.0=2, 5485/4.6=1...(7) HA GLU 19 - HB2 GLN 91 poor 7 55 - 14 - 1208=2, 1209/1.8=2...(5) HA LEU 64 - HB3 GLU 87 lone 7 91 - 7 - 6135/4.0=3 HA ARG 17 - HB2 GLU 19 lone 6 81 - 7 - HA LYS 39 - HB2 GLU 19 lone 4 99 - 4 - HA THR 15 - HB2 GLU 19 lone 4 97 - 4 - HA THR 88 - HB3 ARG 26 lone 3 38 - 9 - 4035/4.6=2, 5997/3.9=1 HA LYS 83 - HB3 GLU 87 lone 3 81 - 4 - HA ALA 77 - HB2 GLU 19 lone 3 73 - 4 - HA ALA 12 - HB2 GLU 19 lone 3 100 - 3 - HA ASP 38 - HB2 GLU 19 lone 3 78 - 4 - HA LYS 75 - HB2 GLU 19 lone 3 95 - 3 - HA ARG 17 - HB3 GLU 87 lone 3 68 - 4 - HA GLU 19 - HB3 ARG 26 lone 2 59 - 4 - HA THR 15 - HB3 ARG 26 lone 2 54 - 4 - HA THR 88 - HB2 GLN 91 lone 2 35 - 6 - 3.0/5901=1 HA LEU 64 - HB3 ARG 26 lone 2 59 - 4 - HA LYS 85 - HB2 GLU 19 lone 2 63 - 3 - HA ALA 12 - HB3 GLU 87 lone 2 92 - 2 - HA ASP 38 - HB3 GLU 87 lone 2 66 - 2 - HA LYS 39 - HB3 GLU 87 lone 2 89 - 2 - HA LYS 85 - HB3 GLU 87 lone 2 52 - 3 - HA ALA 20 - HB2 GLN 91 lone 1 54 - 2 - HA SER 60 - HB2 GLU 19 lone 1 81 - 1 - HA LYS 39 - HB3 ARG 26 lone 1 57 - 2 - HA THR 15 - HB3 GLU 87 lone 1 85 - 1 - HA ALA 77 - HB3 GLU 87 lone 1 62 - 2 - HA ALA 12 - HB3 ARG 26 lone 1 59 - 2 - HA LYS 75 - HB3 GLU 87 lone 1 83 - 1 - HA LYS 83 - HB3 ARG 26 lone 1 50 - 2 - HA LYS 85 - HB3 ARG 26 lone 1 30 - 3 - HA SER 60 - HB3 GLU 87 lone 1 68 - 1 - HA LYS 75 - HB3 ARG 26 lone 1 52 - 1 - HA ASP 38 - HB3 ARG 26 lone 1 39 - 2 - HA LEU 64 - HB2 GLN 91 lone 1 54 - 1 - HA ALA 20 - HB3 ARG 26 lone 1 58 - 1 - HA LYS 83 - HB2 GLN 91 lone 1 46 - 1 - HA ALA 12 - HB2 GLN 91 lone 1 54 - 1 - HA THR 15 - HB2 GLN 91 lone 1 49 - 1 - HA LYS 39 - HB2 GLN 91 lone 1 52 - 1 - HA ASP 38 - HB2 GLN 91 lone 0 36 - 1 - HA ARG 17 - HB2 GLN 91 lone 0 37 - 1 - HA SER 60 - HB3 ARG 26 lone 0 41 - 1 - HA ALA 77 - HB3 ARG 26 lone 0 36 - 1 - HA LYS 75 - HB2 GLN 91 lone 0 47 - 1 - HA ALA 77 - HB2 GLN 91 lone 0 33 - 1 - HA SER 60 - HB2 GLN 91 lone 0 37 - 1 - HA LYS 85 - HB2 GLN 91 lone 0 28 - 1 - Peak 1214 from cnoeabs.peaks (1.91, 1.91, 30.05 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 19 + HB2 GLU 19 OK 100 100 - 100 HB3 GLU 87 + HB3 GLU 87 OK 91 91 - 100 HB2 GLN 91 + HB2 GLN 91 OK 47 47 - 100 HB3 ARG 26 - HB3 ARG 26 OK 29 29 - 100 Peak 1215 from cnoeabs.peaks (2.04, 1.91, 30.05 ppm; 2.40 A): 3 out of 64 assignments used, quality = 1.00: * HB3 GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 1.8=100 HB2 GLU 87 + HB3 GLU 87 OK 89 89 - 100 - 1.8=100 HB3 GLN 91 + HB2 GLN 91 OK 54 54 - 100 - 1.8=100 HB2 GLU 87 - HB2 GLU 19 OK 28 99 - 28 - 1220=4, 1209/3.0=2...(11) HB3 GLU 19 - HB3 GLU 87 OK 26 92 - 29 - 1220=4, 3557/3.0=3...(10) HB2 GLU 25 - HB3 ARG 26 poor 9 49 - 18 - 56/3.9=3, 5926/3.0=2...(4) HB2 GLU 50 - HB3 GLU 87 lone 8 91 - 9 - 2196/3.0=1, 2190/3.0=1 HB3 GLU 50 - HB3 GLU 87 lone 8 91 - 9 - 2196/3.0=1, 2190/3.0=1 HB3 GLU 25 - HB3 ARG 26 poor 8 48 - 18 - 56/3.9=3, 5926/3.0=2...(4) HB3 GLN 91 - HB3 GLU 87 lone 8 91 - 9 - 3677=1, 3.0/3661=1 HB3 GLN 91 - HB2 GLU 19 lone 7 100 - 7 - 3.6/889=1 HB2 GLU 50 - HB2 GLU 19 lone 4 100 - 4 - HB3 GLU 50 - HB2 GLU 19 lone 4 100 - 4 - HB2 GLU 87 - HB2 GLN 91 lone 4 52 - 8 - 3677=1 HG2 ARG 66 - HB3 ARG 26 poor 4 30 - 14 - ~2708=1 HB3 GLU 19 - HB2 GLN 91 lone 4 55 - 7 - HB2 GLU 25 - HB2 GLU 19 lone 3 92 - 4 - HB3 GLU 25 - HB2 GLU 19 lone 3 90 - 4 - HB3 GLN 91 - HB3 ARG 26 lone 2 59 - 3 - HD3 ARG 69 - HB2 GLU 19 lone 2 99 - 2 - HD2 ARG 69 - HB2 GLU 19 lone 2 99 - 2 - HB2 GLU 87 - HB3 ARG 26 lone 1 57 - 2 - HB2 GLU 25 - HB3 GLU 87 lone 1 80 - 1 - HB VAL 90 - HB2 GLU 19 lone 1 83 - 1 - HB3 GLU 25 - HB3 GLU 87 lone 1 78 - 1 - HD3 ARG 69 - HB3 GLU 87 lone 1 88 - 1 - HD2 ARG 69 - HB3 GLU 87 lone 1 88 - 1 - HB3 GLU 19 - HB3 ARG 26 lone 1 59 - 2 - HB3 PRO 56 - HB3 GLU 87 lone 1 89 - 1 - HB VAL 76 - HB2 GLU 19 lone 1 99 - 1 - HB VAL 90 - HB3 GLU 87 lone 1 70 - 1 - HB2 GLU 25 - HB2 GLN 91 lone 1 45 - 2 - HG2 PRO 56 - HB3 GLU 87 lone 1 92 - 1 - HB3 GLU 25 - HB2 GLN 91 lone 1 44 - 2 - HB3 PRO 56 - HB2 GLU 19 lone 1 99 - 1 - HB VAL 90 - HB2 GLN 91 lone 1 39 - 2 - HG2 PRO 44 - HB2 GLU 19 lone 1 98 - 1 - HG2 PRO 56 - HB2 GLU 19 lone 1 100 - 1 - HB VAL 90 - HB3 ARG 26 lone 1 42 - 1 - HB3 GLU 50 - HB3 ARG 26 lone 1 59 - 1 - HB2 GLU 50 - HB3 ARG 26 lone 1 59 - 1 - HB VAL 76 - HB3 GLU 87 lone 1 90 - 1 - HG2 PRO 44 - HB3 GLU 87 lone 0 87 - 1 - HB3 PRO 56 - HB3 ARG 26 lone 0 57 - 1 - HB VAL 76 - HB3 ARG 26 lone 0 57 - 1 - HG2 PRO 56 - HB3 ARG 26 lone 0 59 - 1 - HB2 GLU 50 - HB2 GLN 91 lone 0 54 - 1 - HB3 GLU 50 - HB2 GLN 91 lone 0 54 - 1 - HB VAL 76 - HB2 GLN 91 lone 0 53 - 1 - HD2 ARG 69 - HB2 GLN 91 lone 0 52 - 1 - HD3 ARG 69 - HB2 GLN 91 lone 0 52 - 1 - HB3 PRO 56 - HB2 GLN 91 lone 0 52 - 1 - HG2 ARG 66 - HB2 GLU 19 lone 0 63 - 0 - HD3 ARG 69 - HB3 ARG 26 lone 0 56 - 0 - HD2 ARG 69 - HB3 ARG 26 lone 0 56 - 0 - HG2 PRO 44 - HB3 ARG 26 lone 0 55 - 0 - HG2 PRO 56 - HB2 GLN 91 lone 0 54 - 0 - HG2 ARG 66 - HB3 GLU 87 lone 0 52 - 0 - HG2 PRO 44 - HB2 GLN 91 lone 0 51 - 0 - HB VAL 45 - HB2 GLU 19 lone 0 65 - 0 - HG2 ARG 66 - HB2 GLN 91 lone 0 28 - 1 - HB VAL 45 - HB3 GLU 87 lone 0 55 - 0 - HB VAL 45 - HB3 ARG 26 lone 0 32 - 0 - HB VAL 45 - HB2 GLN 91 lone 0 29 - 0 - Peak 1216 from cnoeabs.peaks (2.23, 1.91, 30.05 ppm; 3.10 A): 4 out of 24 assignments used, quality = 1.00: HG3 GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.0=100 * HG2 GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 - 100 - 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 - 100 - 3.0=100 HG2 GLU 19 - HB3 GLU 87 OK 37 92 - 41 - 3.9/1208=3, 1223/1.8=3...(21) HG3 GLU 19 - HB3 GLU 87 OK 37 92 - 41 - 3.9/1208=3, 1223/1.8=3...(21) HG3 GLU 87 - HB2 GLU 19 OK 34 92 - 38 - 4.0/3558=3, 1210/3.0=3...(20) HG2 GLU 87 - HB2 GLU 19 OK 34 90 - 38 - 4.0/3558=3, 1210/3.0=3...(20) HG3 GLU 50 - HB3 GLU 87 poor 7 62 - 11 - ~2202=2, ~2207=2...(4) HG2 GLU 25 - HB3 ARG 26 poor 6 30 - 20 - 58/3.9=5, ~1353=3...(6) HG2 GLU 19 - HB2 GLN 91 poor 6 55 - 11 - 5905/3.6=2 HG3 GLU 19 - HB2 GLN 91 poor 6 55 - 11 - 5905/3.6=2 HG3 GLU 87 - HB2 GLN 91 poor 5 45 - 11 - 4.0/3558=1 HG2 GLU 87 - HB2 GLN 91 poor 5 44 - 12 - 4.0/3558=1 HG3 GLU 50 - HB2 GLU 19 lone 4 73 - 6 - HG2 GLU 25 - HB2 GLU 19 lone 3 63 - 5 - HG2 GLU 19 - HB3 ARG 26 lone 2 59 - 3 - HG3 GLU 19 - HB3 ARG 26 lone 2 59 - 3 - HG2 GLU 25 - HB3 GLU 87 lone 1 52 - 3 - HG3 GLU 87 - HB3 ARG 26 lone 1 49 - 2 - HG2 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG2 GLU 25 - HB2 GLN 91 lone 1 28 - 4 - 5905/3.6=2 HG3 GLU 50 - HB3 ARG 26 lone 0 36 - 1 - HG3 GLU 50 - HB2 GLN 91 lone 0 33 - 1 - Peak 1217 from cnoeabs.peaks (2.23, 1.91, 30.05 ppm; 3.10 A): 4 out of 24 assignments used, quality = 1.00: * HG3 GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 100 100 - 100 - 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 - 100 - 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 - 100 - 3.0=100 HG2 GLU 19 - HB3 GLU 87 OK 37 92 - 41 - 3.9/1208=3, 1223/1.8=3...(21) HG3 GLU 19 - HB3 GLU 87 OK 37 92 - 41 - 3.9/1208=3, 1223/1.8=3...(21) HG3 GLU 87 - HB2 GLU 19 OK 34 92 - 38 - 4.0/3558=3, 1210/3.0=3...(20) HG2 GLU 87 - HB2 GLU 19 OK 34 90 - 38 - 4.0/3558=3, 1210/3.0=3...(20) HG3 GLU 50 - HB3 GLU 87 poor 7 62 - 11 - ~2202=2, ~2207=2...(4) HG2 GLU 25 - HB3 ARG 26 poor 6 30 - 20 - 58/3.9=5, ~1353=3...(6) HG2 GLU 19 - HB2 GLN 91 poor 6 55 - 11 - 5905/3.6=2 HG3 GLU 19 - HB2 GLN 91 poor 6 55 - 11 - 5905/3.6=2 HG3 GLU 87 - HB2 GLN 91 poor 5 45 - 11 - 4.0/3558=1 HG2 GLU 87 - HB2 GLN 91 poor 5 44 - 12 - 4.0/3558=1 HG3 GLU 50 - HB2 GLU 19 lone 4 73 - 6 - HG2 GLU 25 - HB2 GLU 19 lone 3 63 - 5 - HG2 GLU 19 - HB3 ARG 26 lone 2 59 - 3 - HG3 GLU 19 - HB3 ARG 26 lone 2 59 - 3 - HG2 GLU 25 - HB3 GLU 87 lone 1 52 - 3 - HG3 GLU 87 - HB3 ARG 26 lone 1 49 - 2 - HG2 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG2 GLU 25 - HB2 GLN 91 lone 1 28 - 4 - 5905/3.6=2 HG3 GLU 50 - HB3 ARG 26 lone 0 36 - 1 - HG3 GLU 50 - HB2 GLN 91 lone 0 33 - 1 - Peak 1218 from cnoeabs.peaks (8.32, 2.04, 30.05 ppm; 4.85 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 19 + HB3 GLU 19 OK 100 100 - 100 - 3.9=100 H GLU 19 + HB2 GLU 87 OK 49 89 - 55 - 494=11, 493/1.8=11...(15) H LYS 83 - HB3 GLU 19 OK 15 97 - 15 - 1212/1.8=3, 831/3.0=2...(7) H GLU 19 - HB3 GLN 91 poor 7 62 - 11 - 494=2, 493/1.8=2...(4) H ASP 24 - HB3 GLU 19 lone 6 93 - 6 - 4.6/521=1 H LYS 83 - HB2 GLU 87 lone 5 84 - 5 - H ASP 24 - HB2 GLU 87 lone 3 79 - 3 - H ASP 24 - HB3 GLN 91 lone 2 53 - 3 - H LYS 83 - HB3 GLN 91 lone 1 57 - 2 - Peak 1219 from cnoeabs.peaks (4.26, 2.04, 30.05 ppm; 3.94 A): 2 out of 42 assignments used, quality = 1.00: * HA GLU 19 + HB3 GLU 19 OK 100 100 - 100 - 3.0=100 HA GLU 19 + HB2 GLU 87 OK 56 89 - 63 - 1209=9, 1208/1.8=8...(27) HA ALA 20 - HB3 GLU 19 OK 43 100 - 43 - 3.0/29=12, ~498=5, ~27=5...(17) HA ALA 20 - HB2 GLU 87 OK 21 89 - 24 - 3.0/29=4, ~28=3, ~3721=2...(12) HA THR 88 - HB3 GLU 19 OK 15 76 - 20 - 3.0/5275=4, ~5901=3...(7) HA LYS 83 - HB3 GLU 19 OK 14 93 - 15 - 1209=2, 2.9/1218=2...(5) HA THR 88 - HB2 GLU 87 OK 14 62 - 23 - ~402=12, ~4032=5...(6) HA GLU 19 - HB3 GLN 91 poor 9 62 - 15 - 1209=2, 1208/1.8=2...(6) HA LEU 64 - HB3 GLU 19 lone 9 100 - 9 - 6135/4.6=3, 492/3.9=1 HA ARG 17 - HB3 GLU 19 lone 6 81 - 8 - 3720/4.6=1 HA LEU 64 - HB2 GLU 87 lone 6 89 - 7 - 6135/4.0=3 HA THR 15 - HB3 GLU 19 lone 4 97 - 4 - HA ALA 77 - HB3 GLU 19 lone 4 73 - 5 - HA LYS 39 - HB3 GLU 19 lone 3 99 - 3 - HA LYS 83 - HB2 GLU 87 lone 3 79 - 4 - HA LYS 75 - HB3 GLU 19 lone 3 95 - 3 - HA ALA 12 - HB3 GLU 19 lone 3 100 - 3 - HA THR 88 - HB3 GLN 91 lone 3 40 - 7 - 3.0/5275=1, 3587/3.0=1 HA ARG 17 - HB2 GLU 87 lone 3 66 - 4 - HA ASP 38 - HB3 GLU 19 lone 2 78 - 3 - HA LYS 85 - HB3 GLU 19 lone 2 63 - 4 - HA ALA 12 - HB2 GLU 87 lone 2 89 - 2 - HA LYS 85 - HB2 GLU 87 lone 2 50 - 3 - HA ALA 20 - HB3 GLN 91 lone 2 61 - 3 - HA ASP 38 - HB2 GLU 87 lone 1 64 - 2 - HA LYS 39 - HB2 GLU 87 lone 1 87 - 2 - HA SER 60 - HB3 GLU 19 lone 1 81 - 2 - HA ALA 77 - HB2 GLU 87 lone 1 59 - 2 - HA LYS 75 - HB2 GLU 87 lone 1 80 - 2 - HA THR 15 - HB2 GLU 87 lone 1 83 - 1 - HA LYS 83 - HB3 GLN 91 lone 1 53 - 2 - HA SER 60 - HB2 GLU 87 lone 1 66 - 1 - HA ALA 12 - HB3 GLN 91 lone 1 62 - 1 - HA LEU 64 - HB3 GLN 91 lone 1 62 - 1 - HA THR 15 - HB3 GLN 91 lone 1 57 - 1 - HA LYS 75 - HB3 GLN 91 lone 1 54 - 1 - HA LYS 39 - HB3 GLN 91 lone 1 60 - 1 - HA ARG 17 - HB3 GLN 91 lone 1 43 - 1 - HA ALA 77 - HB3 GLN 91 lone 0 38 - 1 - HA ASP 38 - HB3 GLN 91 lone 0 42 - 1 - HA SER 60 - HB3 GLN 91 lone 0 43 - 1 - HA LYS 85 - HB3 GLN 91 lone 0 32 - 1 - Peak 1220 from cnoeabs.peaks (1.91, 2.04, 30.05 ppm; 2.40 A): 3 out of 33 assignments used, quality = 1.00: * HB2 GLU 19 + HB3 GLU 19 OK 100 100 - 100 - 1.8=100 HB3 GLU 87 + HB2 GLU 87 OK 89 89 - 100 - 1.8=100 HB2 GLN 91 + HB3 GLN 91 OK 54 54 - 100 - 1.8=100 HB3 GLU 87 - HB3 GLU 19 OK 28 100 - 28 - 3670=3, 3.0/3557=3...(10) HB2 GLU 19 - HB2 GLU 87 OK 25 89 - 28 - 1215=3, 3568/3.0=2...(10) HB2 GLN 91 - HB2 GLU 87 lone 7 80 - 8 - 3670=1 HB2 GLN 91 - HB3 GLU 19 lone 6 95 - 6 - HB3 GLU 87 - HB3 GLN 91 lone 5 62 - 9 - 3670=1, 3668/3.0=1 HB ILE 68 - HB2 GLU 87 lone 5 80 - 6 - 2749/4.0=2 HB ILE 68 - HB3 GLU 19 lone 4 95 - 5 - 2749/4.6=1 HG13 ILE 68 - HB3 GLU 19 lone 4 93 - 5 - 2770/4.6=1 HG13 ILE 68 - HB2 GLU 87 lone 4 79 - 6 - 2770/4.0=2 HB2 GLU 19 - HB3 GLN 91 lone 4 62 - 7 - 889/3.6=1 HB VAL 41 - HB3 GLU 19 lone 2 83 - 2 - HG12 ILE 40 - HB3 GLU 19 lone 2 100 - 2 - HG12 ILE 40 - HB2 GLU 87 lone 1 88 - 2 - HB3 ARG 26 - HB3 GLU 19 lone 1 60 - 2 - HB3 ARG 26 - HB2 GLU 87 lone 1 48 - 2 - HB3 ARG 26 - HB3 GLN 91 lone 1 30 - 3 - HB2 MET 11 - HB2 GLU 87 lone 1 57 - 1 - HB VAL 41 - HB2 GLU 87 lone 1 68 - 1 - HB3 PRO 14 - HB3 GLU 19 lone 1 76 - 1 - HB ILE 68 - HB3 GLN 91 lone 1 54 - 1 - HG13 ILE 68 - HB3 GLN 91 lone 0 53 - 1 - HB3 PRO 14 - HB2 GLU 87 lone 0 62 - 1 - HB2 MET 11 - HB3 GLU 19 lone 0 71 - 1 - HB2 MET 31 - HB3 GLU 19 lone 0 68 - 1 - HB3 PRO 14 - HB3 GLN 91 lone 0 40 - 1 - HG12 ILE 40 - HB3 GLN 91 lone 0 61 - 1 - HB2 MET 31 - HB2 GLU 87 lone 0 55 - 1 - HB2 MET 11 - HB3 GLN 91 lone 0 37 - 1 - HB2 MET 31 - HB3 GLN 91 lone 0 35 - 0 - HB VAL 41 - HB3 GLN 91 lone 0 45 - 0 - Peak 1221 from cnoeabs.peaks (2.04, 2.04, 30.05 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 19 + HB3 GLU 19 OK 100 100 - 100 HB2 GLU 87 + HB2 GLU 87 OK 87 87 - 100 HB3 GLN 91 + HB3 GLN 91 OK 62 62 - 100 Peak 1222 from cnoeabs.peaks (2.23, 2.04, 30.05 ppm; 2.66 A): 4 out of 18 assignments used, quality = 0.99: HG3 GLU 19 + HB3 GLU 19 OK 75 100 - 75 - 3.0=69, 1210/3.0=4...(7) * HG2 GLU 19 + HB3 GLU 19 OK 75 100 - 75 - 3.0=69, 1210/3.0=4...(7) HG3 GLU 87 + HB2 GLU 87 OK 57 77 - 74 - 3.0=71, 1.8/2205=3...(4) HG2 GLU 87 + HB2 GLU 87 OK 56 76 - 74 - 3.0=71, 1.8/2206=3...(4) HG3 GLU 19 - HB2 GLU 87 OK 26 89 - 29 - 3.9/1209=2, 1227=2...(15) HG2 GLU 19 - HB2 GLU 87 OK 26 89 - 29 - 3.9/1209=2, 1233=2...(15) HG3 GLU 87 - HB3 GLU 19 OK 25 92 - 28 - 4.0/3557=2, 1211/3.0=2...(11) HG2 GLU 87 - HB3 GLU 19 OK 24 90 - 28 - 4.0/3557=2, 1211/3.0=2...(11) HG3 GLU 50 - HB2 GLU 87 lone 5 59 - 8 - 1.8/2199=1, ~2202=1, ~2207=1 HG3 GLU 19 - HB3 GLN 91 lone 4 62 - 7 - 5905/3.6=1 HG2 GLU 19 - HB3 GLN 91 lone 4 62 - 7 - 5905/3.6=1 HG3 GLU 87 - HB3 GLN 91 lone 4 52 - 8 - HG2 GLU 87 - HB3 GLN 91 lone 4 51 - 8 - HG3 GLU 50 - HB3 GLU 19 lone 3 73 - 4 - HG2 GLU 25 - HB3 GLU 19 lone 2 63 - 3 - HG2 GLU 25 - HB2 GLU 87 lone 1 50 - 2 - HG2 GLU 25 - HB3 GLN 91 lone 1 32 - 3 - 5905/3.6=1 HG3 GLU 50 - HB3 GLN 91 lone 0 38 - 1 - Peak 1223 from cnoeabs.peaks (2.23, 2.04, 30.05 ppm; 2.66 A): 4 out of 18 assignments used, quality = 0.99: * HG3 GLU 19 + HB3 GLU 19 OK 75 100 - 75 - 3.0=69, 1210/3.0=4...(7) HG2 GLU 19 + HB3 GLU 19 OK 75 100 - 75 - 3.0=69, 1210/3.0=4...(7) HG3 GLU 87 + HB2 GLU 87 OK 57 77 - 74 - 3.0=71, 1.8/2205=3...(4) HG2 GLU 87 + HB2 GLU 87 OK 56 76 - 74 - 3.0=71, 1.8/2206=3...(4) HG3 GLU 19 - HB2 GLU 87 OK 26 89 - 29 - 3.9/1209=2, 1227=2...(15) HG2 GLU 19 - HB2 GLU 87 OK 26 89 - 29 - 3.9/1209=2, 1233=2...(15) HG3 GLU 87 - HB3 GLU 19 OK 25 92 - 28 - 4.0/3557=2, 1211/3.0=2...(11) HG2 GLU 87 - HB3 GLU 19 OK 24 90 - 28 - 4.0/3557=2, 1211/3.0=2...(11) HG3 GLU 50 - HB2 GLU 87 lone 5 59 - 8 - 1.8/2199=1, ~2202=1, ~2207=1 HG3 GLU 19 - HB3 GLN 91 lone 4 62 - 7 - 5905/3.6=1 HG2 GLU 19 - HB3 GLN 91 lone 4 62 - 7 - 5905/3.6=1 HG3 GLU 87 - HB3 GLN 91 lone 4 52 - 8 - HG2 GLU 87 - HB3 GLN 91 lone 4 51 - 8 - HG3 GLU 50 - HB3 GLU 19 lone 3 73 - 4 - HG2 GLU 25 - HB3 GLU 19 lone 2 63 - 3 - HG2 GLU 25 - HB2 GLU 87 lone 1 50 - 2 - HG2 GLU 25 - HB3 GLN 91 lone 1 32 - 3 - 5905/3.6=1 HG3 GLU 50 - HB3 GLN 91 lone 0 38 - 1 - Peak 1224 from cnoeabs.peaks (8.32, 2.23, 36.01 ppm; 4.86 A): 4 out of 18 assignments used, quality = 1.00: H GLU 19 + HG3 GLU 19 OK 99 100 - 99 - 4.9=97, 493/3.0=23...(10) * H GLU 19 + HG2 GLU 19 OK 99 100 - 99 - 4.9=97, 493/3.0=23...(10) H GLU 19 + HG3 GLU 87 OK 51 92 - 56 - 493/3.0=9, 1218/3.0=9...(16) H GLU 19 + HG2 GLU 87 OK 50 90 - 56 - 493/3.0=9, 1218/3.0=9...(16) H LYS 83 - HG3 GLU 19 OK 15 97 - 15 - 1218/3.0=3, 1212/3.0=3...(4) H LYS 83 - HG2 GLU 19 OK 15 97 - 15 - 1218/3.0=3, 1212/3.0=3...(4) H ASP 24 - HG2 GLU 25 OK 10 53 - 19 - 50/5.0=17, 5320/5498=1 H GLU 19 - HG2 GLU 25 poor 7 62 - 12 - 50/5.0=3, 494/3.0=2...(4) H GLU 19 - HG3 GLU 50 lone 6 73 - 8 - 494/3.0=1, 494/3.0=1 H LYS 83 - HG3 GLU 87 lone 5 87 - 5 - H ASP 24 - HG2 GLU 19 lone 5 93 - 5 - 4.6/523=1, 1218/3.0=1 H ASP 24 - HG3 GLU 19 lone 5 93 - 5 - 4.6/523=1, 1218/3.0=1 H LYS 83 - HG2 GLU 87 lone 5 85 - 5 - H ASP 24 - HG3 GLU 87 lone 2 82 - 2 - H LYS 83 - HG2 GLU 25 lone 2 57 - 3 - H ASP 24 - HG2 GLU 87 lone 2 80 - 2 - H LYS 83 - HG3 GLU 50 lone 1 68 - 2 - H ASP 24 - HG3 GLU 50 lone 1 63 - 1 - Peak 1225 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.94 A): 4 out of 84 assignments used, quality = 1.00: * HA GLU 19 + HG2 GLU 19 OK 100 100 - 100 - 3.9=100 HA GLU 19 + HG3 GLU 19 OK 100 100 - 100 - 3.9=100 HA GLU 19 + HG3 GLU 87 OK 55 92 - 60 - 1210=7, 1208/3.0=6...(32) HA GLU 19 + HG2 GLU 87 OK 54 90 - 60 - 1210=7, 1208/3.0=6...(32) HA ALA 20 - HG2 GLU 19 OK 35 100 - 35 - 3.0/30=6, ~29=6, ~31=4...(12) HA ALA 20 - HG3 GLU 19 OK 35 100 - 35 - 3.0/30=6, ~29=6, ~31=4...(12) HA ALA 20 - HG3 GLU 87 OK 23 91 - 26 - 3.0/31=4, ~31=3, ~30=3...(12) HA ALA 20 - HG2 GLU 87 OK 23 90 - 26 - 3.0/31=4, ~31=3, ~30=3...(12) HA THR 88 - HG3 GLU 19 OK 15 76 - 20 - 3.0/5921=4, ~5921=3...(9) HA THR 88 - HG2 GLU 19 OK 15 76 - 20 - 3.0/5921=4, ~5921=3...(9) HA LYS 83 - HG2 GLU 19 poor 10 93 - 11 - 1208/3.0=1, 1209/3.0=1...(5) HA LYS 83 - HG3 GLU 19 poor 10 93 - 11 - 1208/3.0=1, 1209/3.0=1...(5) HA THR 88 - HG3 GLU 87 poor 9 64 - 15 - 3.0/5921=4, ~4032=3...(5) HA THR 88 - HG2 GLU 87 poor 9 63 - 15 - 3.0/5921=4, ~4032=3...(5) HA THR 15 - HG2 GLU 25 poor 6 56 - 10 - 1128/5.0=2, ~11=2...(4) HA GLU 19 - HG3 GLU 50 lone 5 73 - 7 - HA LEU 64 - HG3 GLU 87 lone 5 91 - 5 - 6135/4.8=3 HA LEU 64 - HG2 GLU 87 lone 5 90 - 5 - 6135/4.8=3 HA GLU 19 - HG2 GLU 25 lone 5 62 - 8 - HA LEU 64 - HG2 GLU 19 lone 4 100 - 4 - HA LEU 64 - HG3 GLU 19 lone 4 100 - 4 - HA LYS 39 - HG3 GLU 50 lone 4 71 - 5 - 5790/4.9=4 HA THR 88 - HG2 GLU 25 lone 4 40 - 10 - ~5513=2, ~3746=2...(4) HA LYS 83 - HG3 GLU 87 lone 3 82 - 4 - HA ARG 17 - HG3 GLU 19 lone 3 81 - 4 - HA ARG 17 - HG2 GLU 19 lone 3 81 - 4 - HA LYS 83 - HG2 GLU 87 lone 3 80 - 4 - HA ALA 20 - HG3 GLU 50 lone 3 73 - 4 - HA LEU 64 - HG3 GLU 50 lone 3 73 - 4 - ~4698=2 HA THR 15 - HG3 GLU 19 lone 3 97 - 3 - HA THR 15 - HG2 GLU 19 lone 3 97 - 3 - HA ALA 12 - HG2 GLU 19 lone 2 100 - 2 - HA ALA 12 - HG3 GLU 19 lone 2 100 - 2 - HA ALA 77 - HG3 GLU 19 lone 2 73 - 3 - HA ALA 77 - HG2 GLU 19 lone 2 73 - 3 - HA ALA 20 - HG2 GLU 25 lone 2 61 - 4 - HA LYS 39 - HG3 GLU 19 lone 2 99 - 2 - HA LYS 39 - HG2 GLU 19 lone 2 99 - 2 - HA ARG 17 - HG3 GLU 87 lone 2 69 - 3 - HA ALA 77 - HG2 GLU 25 lone 2 38 - 5 - ~5512=1 HA ARG 17 - HG2 GLU 87 lone 2 67 - 3 - HA ASP 38 - HG3 GLU 19 lone 2 78 - 2 - HA ASP 38 - HG2 GLU 19 lone 2 78 - 2 - HA LYS 75 - HG2 GLU 19 lone 2 95 - 2 - HA LYS 75 - HG3 GLU 19 lone 2 95 - 2 - HA ALA 12 - HG3 GLU 87 lone 2 92 - 2 - HA ALA 12 - HG2 GLU 87 lone 2 90 - 2 - HA LYS 39 - HG3 GLU 87 lone 2 89 - 2 - HA LYS 39 - HG2 GLU 87 lone 2 88 - 2 - HA LYS 85 - HG3 GLU 19 lone 1 63 - 2 - HA LYS 85 - HG2 GLU 19 lone 1 63 - 2 - HA ALA 77 - HG3 GLU 50 lone 1 46 - 3 - HA LYS 85 - HG3 GLU 87 lone 1 52 - 2 - HA LYS 85 - HG2 GLU 87 lone 1 51 - 2 - HA LEU 64 - HG2 GLU 25 lone 1 61 - 2 - HA THR 15 - HG3 GLU 87 lone 1 86 - 1 - HA THR 15 - HG2 GLU 87 lone 1 84 - 1 - HA LYS 83 - HG2 GLU 25 lone 1 53 - 2 - HA ASP 38 - HG3 GLU 87 lone 1 66 - 2 - HA ASP 38 - HG2 GLU 87 lone 1 65 - 2 - HA ALA 77 - HG3 GLU 87 lone 1 62 - 2 - HA ALA 77 - HG2 GLU 87 lone 1 60 - 2 - HA THR 88 - HG3 GLU 50 lone 1 48 - 2 - HA SER 60 - HG2 GLU 19 lone 1 81 - 1 - HA SER 60 - HG3 GLU 19 lone 1 81 - 1 - HA LYS 75 - HG3 GLU 87 lone 1 83 - 1 - HA LYS 75 - HG2 GLU 87 lone 1 81 - 1 - HA ALA 12 - HG2 GLU 25 lone 1 62 - 1 - HA LYS 83 - HG3 GLU 50 lone 1 63 - 1 - HA ARG 17 - HG2 GLU 25 lone 1 43 - 2 - HA ALA 12 - HG3 GLU 50 lone 1 73 - 1 - HA LYS 75 - HG3 GLU 50 lone 1 65 - 1 - HA THR 15 - HG3 GLU 50 lone 1 67 - 1 - HA SER 60 - HG3 GLU 87 lone 1 69 - 1 - HA SER 60 - HG2 GLU 87 lone 1 67 - 1 - HA ARG 17 - HG3 GLU 50 lone 1 52 - 1 - HA LYS 85 - HG2 GLU 25 lone 1 32 - 2 - HA LYS 39 - HG2 GLU 25 lone 1 60 - 1 - HA LYS 75 - HG2 GLU 25 lone 1 54 - 1 - HA SER 60 - HG2 GLU 25 lone 0 43 - 1 - HA LYS 85 - HG3 GLU 50 lone 0 39 - 1 - HA ASP 38 - HG3 GLU 50 lone 0 50 - 1 - HA SER 60 - HG3 GLU 50 lone 0 52 - 1 - HA ASP 38 - HG2 GLU 25 lone 0 41 - 1 - Peak 1226 from cnoeabs.peaks (1.91, 2.23, 36.01 ppm; 3.61 A): 7 out of 66 assignments used, quality = 1.00: HB2 GLU 19 + HG3 GLU 19 OK 100 100 - 100 - 3.0=100 * HB2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 - 100 - 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 - 100 - 3.0=100 HB3 GLU 87 + HG3 GLU 19 OK 53 100 - 53 - 1208/3.9=4, 3.0/3560=4...(30) HB3 GLU 87 + HG2 GLU 19 OK 53 100 - 53 - 1208/3.9=4, 3.0/3560=4...(30) HB2 GLU 19 + HG3 GLU 87 OK 45 92 - 50 - 3568/4.0=4, 3.0/1211=4...(30) HB2 GLU 19 - HG2 GLU 87 OK 44 90 - 50 - 3568/4.0=4, 3.0/1211=4...(32) HB2 GLN 91 - HG2 GLU 19 OK 14 95 - 15 - 3.6/5905=3, ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 19 OK 14 95 - 15 - 3.6/5905=3, ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 87 OK 13 83 - 16 - 3558/4.0=1, ~3661=1...(5) HB2 GLN 91 - HG2 GLU 87 OK 13 81 - 16 - 3558/4.0=1, ~3661=1...(5) HB3 GLU 87 - HG3 GLU 50 OK 12 73 - 16 - ~2202=2, ~2207=2...(4) HB ILE 68 - HG3 GLU 87 poor 8 83 - 10 - 2749/4.8=3, 3558/4.0=2 HB3 ARG 26 - HG2 GLU 25 poor 8 30 - 28 - 3.9/58=7, ~1353=4...(12) HB ILE 68 - HG2 GLU 87 poor 8 81 - 10 - 2749/4.8=3, 3558/4.0=2 HB3 PRO 14 - HG2 GLU 25 poor 8 40 - 21 - ~1356=3, 1108/1.8=3...(8) HG13 ILE 68 - HG3 GLU 87 lone 8 82 - 9 - 2770/4.8=3, 3558/4.0=2 HG13 ILE 68 - HG2 GLU 87 lone 8 80 - 9 - 2770/4.8=3, 3558/4.0=2 HB ILE 68 - HG2 GLU 19 lone 6 95 - 7 - HB ILE 68 - HG3 GLU 19 lone 6 95 - 7 - HB2 GLU 19 - HG3 GLU 50 lone 6 73 - 8 - HG13 ILE 68 - HG3 GLU 19 lone 6 93 - 6 - HG13 ILE 68 - HG2 GLU 19 lone 6 93 - 6 - HB2 MET 11 - HG3 GLU 50 poor 5 45 - 11 - ~4511=3, ~6110=2, ~972=2 HB2 MET 31 - HG3 GLU 50 poor 5 43 - 11 - 4203/3.7=1, 1530/4.9=1...(4) HB2 GLU 19 - HG2 GLU 25 lone 4 62 - 7 - HB VAL 41 - HG2 GLU 19 lone 3 83 - 4 - HB VAL 41 - HG3 GLU 19 lone 3 83 - 4 - HG12 ILE 40 - HG2 GLU 19 lone 3 100 - 3 - HG12 ILE 40 - HG3 GLU 19 lone 3 100 - 3 - HB2 GLN 91 - HG2 GLU 25 lone 3 54 - 5 - 3.6/5905=3 HG12 ILE 40 - HG3 GLU 87 lone 3 91 - 3 - HB3 ARG 26 - HG2 GLU 19 lone 3 60 - 4 - HB3 ARG 26 - HG3 GLU 19 lone 3 60 - 4 - HG12 ILE 40 - HG2 GLU 87 lone 3 89 - 3 - HB VAL 41 - HG3 GLU 50 lone 2 54 - 4 - 3821/4.9=2 HB3 GLU 87 - HG2 GLU 25 lone 2 62 - 4 - HB2 MET 11 - HG3 GLU 87 lone 2 60 - 3 - HB2 MET 11 - HG2 GLU 87 lone 2 58 - 3 - HB2 MET 31 - HG2 GLU 25 lone 2 35 - 4 - HB3 ARG 26 - HG3 GLU 87 lone 1 50 - 3 - HB VAL 41 - HG3 GLU 87 lone 1 71 - 2 - HB3 ARG 26 - HG2 GLU 87 lone 1 49 - 3 - HB VAL 41 - HG2 GLU 87 lone 1 69 - 2 - HB3 PRO 14 - HG3 GLU 19 lone 1 76 - 2 - HB3 PRO 14 - HG2 GLU 19 lone 1 76 - 2 - HG12 ILE 40 - HG3 GLU 50 lone 1 72 - 2 - HB2 MET 31 - HG2 GLU 19 lone 1 68 - 2 - HB2 MET 31 - HG3 GLU 19 lone 1 68 - 2 - HB2 MET 31 - HG3 GLU 87 lone 1 57 - 2 - HB2 MET 31 - HG2 GLU 87 lone 1 56 - 2 - HB2 MET 11 - HG3 GLU 19 lone 1 71 - 1 - HB2 MET 11 - HG2 GLU 19 lone 1 71 - 1 - HB2 GLN 91 - HG3 GLU 50 lone 1 65 - 1 - HB3 PRO 14 - HG3 GLU 87 lone 1 64 - 1 - HB3 PRO 14 - HG2 GLU 87 lone 1 63 - 1 - HB ILE 68 - HG2 GLU 25 lone 1 54 - 2 - HG12 ILE 40 - HG2 GLU 25 lone 1 61 - 1 - HG13 ILE 68 - HG3 GLU 50 lone 1 63 - 1 - HB ILE 68 - HG3 GLU 50 lone 1 65 - 1 - HB3 ARG 26 - HG3 GLU 50 lone 1 37 - 1 - HG13 ILE 68 - HG2 GLU 25 lone 0 53 - 1 - HB3 PRO 14 - HG3 GLU 50 lone 0 48 - 1 - HB VAL 41 - HG2 GLU 25 lone 0 45 - 1 - HB2 MET 11 - HG2 GLU 25 lone 0 37 - 1 - Peak 1227 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 6 out of 96 assignments used, quality = 1.00: HB3 GLU 19 + HG3 GLU 19 OK 69 100 - 69 - 3.0=62, 1222/1.8=6...(7) * HB3 GLU 19 + HG2 GLU 19 OK 69 100 - 69 - 3.0=62, 1222/1.8=6...(7) HB2 GLU 87 + HG3 GLU 87 OK 61 89 - 68 - 3.0=64, 3566/1.8=6...(4) HB2 GLU 87 + HG2 GLU 87 OK 60 88 - 68 - 3.0=64, 3566/1.8=6...(4) HB2 GLU 50 + HG3 GLU 50 OK 50 73 - 69 - 3.0=64, 1.8/2196=5...(6) HB3 GLU 50 + HG3 GLU 50 OK 50 73 - 69 - 3.0=64, 1.8/2196=5...(6) HB2 GLU 25 - HG2 GLU 25 OK 39 52 - 76 - 3.0=63, 1354/1.8=8...(12) HB3 GLU 25 - HG2 GLU 25 OK 38 50 - 76 - 3.0=63, 1354/1.8=8...(12) HB2 GLU 87 - HG2 GLU 19 OK 27 99 - 28 - 1223=3, 3566/1.8=2...(11) HB2 GLU 87 - HG3 GLU 19 OK 27 99 - 28 - 1222=3, 3566/1.8=2...(11) HB3 GLU 19 - HG3 GLU 87 OK 25 92 - 27 - 1222=3, 3557/4.0=2...(8) HB3 GLU 19 - HG2 GLU 87 OK 24 90 - 27 - 1223=3, 3557/4.0=2...(10) HB3 GLU 50 - HG3 GLU 87 OK 16 92 - 18 - 2196/1.8=2, 2196=2...(7) HB2 GLU 50 - HG3 GLU 87 OK 16 92 - 18 - 2196/1.8=2, 2196=2...(7) HB2 GLU 50 - HG2 GLU 87 OK 16 90 - 18 - 2190/1.8=2, 2190=2...(7) HB3 GLU 50 - HG2 GLU 87 OK 16 90 - 18 - 2190/1.8=2, 2190=2...(7) HB3 GLU 50 - HG3 GLU 19 lone 8 100 - 8 - HB2 GLU 50 - HG2 GLU 19 lone 8 100 - 8 - HB2 GLU 50 - HG3 GLU 19 lone 8 100 - 8 - HB3 GLU 50 - HG2 GLU 19 lone 8 100 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 7 92 - 8 - HB3 GLN 91 - HG2 GLU 87 lone 7 90 - 8 - HB3 GLN 91 - HG2 GLU 19 lone 6 100 - 7 - 3.6/5905=1 HB3 GLN 91 - HG3 GLU 19 lone 6 100 - 7 - 3.6/5905=1 HB2 GLU 25 - HG3 GLU 19 lone 6 92 - 6 - HB2 GLU 25 - HG2 GLU 19 lone 6 92 - 6 - HB3 GLU 25 - HG3 GLU 19 lone 6 90 - 6 - HB3 GLU 25 - HG2 GLU 19 lone 6 90 - 6 - HB2 GLU 87 - HG3 GLU 50 lone 5 71 - 7 - 2199/1.8=1 HD2 ARG 69 - HG3 GLU 50 lone 3 70 - 5 - HD3 ARG 69 - HG3 GLU 50 lone 3 70 - 5 - HB3 GLU 19 - HG3 GLU 50 lone 3 73 - 3 - HB3 GLU 50 - HG2 GLU 25 lone 2 62 - 3 - HB2 GLU 50 - HG2 GLU 25 lone 2 62 - 3 - HB2 GLU 25 - HG3 GLU 50 lone 2 62 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 2 60 - 3 - HG2 PRO 44 - HG3 GLU 50 lone 2 69 - 3 - HB3 GLU 19 - HG2 GLU 25 lone 2 62 - 3 - HB VAL 76 - HG3 GLU 50 lone 2 71 - 2 - HB3 GLN 91 - HG2 GLU 25 lone 1 62 - 2 - 3.6/5905=1 HD3 ARG 69 - HG2 GLU 19 lone 1 99 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 99 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 99 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 99 - 1 - HG2 PRO 56 - HG2 GLU 25 lone 1 62 - 2 - HG2 PRO 44 - HG2 GLU 25 lone 1 58 - 2 - HB3 PRO 56 - HG2 GLU 25 lone 1 60 - 2 - HB2 GLU 25 - HG3 GLU 87 lone 1 80 - 1 - HB2 GLU 25 - HG2 GLU 87 lone 1 78 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 78 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 89 - 1 - HD3 ARG 69 - HG3 GLU 87 lone 1 89 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 77 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 87 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 87 - 1 - HB2 GLU 87 - HG2 GLU 25 lone 1 60 - 1 - HB VAL 90 - HG2 GLU 25 lone 1 45 - 2 - 4.4/5905=1 HB VAL 76 - HG2 GLU 19 lone 1 99 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 99 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 89 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 71 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 88 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 73 - 1 - HD3 ARG 69 - HG2 GLU 25 lone 1 59 - 1 - HD2 ARG 69 - HG2 GLU 25 lone 1 59 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 1 99 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 1 99 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 92 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 90 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 90 - 1 - HB VAL 90 - HG2 GLU 19 lone 1 83 - 1 - HB VAL 90 - HG3 GLU 19 lone 1 83 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 1 100 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 1 100 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 89 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 1 98 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 1 98 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 0 88 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 0 86 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 0 73 - 1 - HB VAL 76 - HG2 GLU 25 lone 0 60 - 1 - HB VAL 90 - HG3 GLU 87 lone 0 71 - 1 - HB VAL 90 - HG2 GLU 87 lone 0 69 - 1 - HB VAL 45 - HG3 GLU 50 lone 0 41 - 1 - HB VAL 90 - HG3 GLU 50 lone 0 54 - 1 - HG2 ARG 66 - HG3 GLU 19 lone 0 63 - 0 - HG2 ARG 66 - HG2 GLU 19 lone 0 63 - 0 - HG2 ARG 66 - HG3 GLU 87 lone 0 52 - 0 - HG2 ARG 66 - HG2 GLU 87 lone 0 51 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 65 - 0 - HB VAL 45 - HG3 GLU 19 lone 0 65 - 0 - HB VAL 45 - HG3 GLU 87 lone 0 55 - 0 - HB VAL 45 - HG2 GLU 25 lone 0 33 - 0 - HB VAL 45 - HG2 GLU 87 lone 0 53 - 0 - HG2 ARG 66 - HG3 GLU 50 lone 0 39 - 0 - HG2 ARG 66 - HG2 GLU 25 lone 0 32 - 0 - Peak 1228 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HG3 GLU 19 + HG3 GLU 19 OK 100 100 - 100 * HG2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 80 80 - 100 HG2 GLU 87 + HG2 GLU 87 OK 77 77 - 100 HG3 GLU 50 + HG3 GLU 50 OK 46 46 - 100 HG2 GLU 25 - HG2 GLU 25 OK 32 32 - 100 Peak 1229 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HG3 GLU 19 + HG3 GLU 19 OK 100 100 - 100 HG2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 80 80 - 100 HG2 GLU 87 + HG2 GLU 87 OK 77 77 - 100 HG3 GLU 50 + HG3 GLU 50 OK 46 46 - 100 HG2 GLU 25 - HG2 GLU 25 OK 32 32 - 100 Reference assignment not found: HG3 GLU 19 - HG2 GLU 19 Peak 1230 from cnoeabs.peaks (8.32, 2.23, 36.01 ppm; 4.86 A): 4 out of 18 assignments used, quality = 1.00: * H GLU 19 + HG3 GLU 19 OK 99 100 - 99 - 4.9=97, 493/3.0=23...(10) H GLU 19 + HG2 GLU 19 OK 99 100 - 99 - 4.9=97, 493/3.0=23...(10) H GLU 19 + HG3 GLU 87 OK 51 92 - 56 - 493/3.0=9, 1218/3.0=9...(16) H GLU 19 + HG2 GLU 87 OK 50 90 - 56 - 493/3.0=9, 1218/3.0=9...(16) H LYS 83 - HG3 GLU 19 OK 15 97 - 15 - 1218/3.0=3, 1212/3.0=3...(4) H LYS 83 - HG2 GLU 19 OK 15 97 - 15 - 1218/3.0=3, 1212/3.0=3...(4) H ASP 24 - HG2 GLU 25 OK 10 53 - 19 - 50/5.0=17, 5320/5498=1 H GLU 19 - HG2 GLU 25 poor 7 62 - 12 - 50/5.0=3, 494/3.0=2...(4) H GLU 19 - HG3 GLU 50 lone 6 73 - 8 - 494/3.0=1, 494/3.0=1 H LYS 83 - HG3 GLU 87 lone 5 87 - 5 - H ASP 24 - HG2 GLU 19 lone 5 93 - 5 - 4.6/523=1, 1218/3.0=1 H ASP 24 - HG3 GLU 19 lone 5 93 - 5 - 4.6/523=1, 1218/3.0=1 H LYS 83 - HG2 GLU 87 lone 5 85 - 5 - H ASP 24 - HG3 GLU 87 lone 2 82 - 2 - H LYS 83 - HG2 GLU 25 lone 2 57 - 3 - H ASP 24 - HG2 GLU 87 lone 2 80 - 2 - H LYS 83 - HG3 GLU 50 lone 1 68 - 2 - H ASP 24 - HG3 GLU 50 lone 1 63 - 1 - Peak 1231 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.94 A): 4 out of 84 assignments used, quality = 1.00: HA GLU 19 + HG2 GLU 19 OK 100 100 - 100 - 3.9=100 * HA GLU 19 + HG3 GLU 19 OK 100 100 - 100 - 3.9=100 HA GLU 19 + HG3 GLU 87 OK 55 92 - 60 - 1210=7, 1208/3.0=6...(32) HA GLU 19 + HG2 GLU 87 OK 54 90 - 60 - 1210=7, 1208/3.0=6...(32) HA ALA 20 - HG2 GLU 19 OK 35 100 - 35 - 3.0/30=6, ~29=6, ~31=4...(12) HA ALA 20 - HG3 GLU 19 OK 35 100 - 35 - 3.0/30=6, ~29=6, ~31=4...(12) HA ALA 20 - HG3 GLU 87 OK 23 91 - 26 - 3.0/31=4, ~31=3, ~30=3...(12) HA ALA 20 - HG2 GLU 87 OK 23 90 - 26 - 3.0/31=4, ~31=3, ~30=3...(12) HA THR 88 - HG3 GLU 19 OK 15 76 - 20 - 3.0/5921=4, ~5921=3...(9) HA THR 88 - HG2 GLU 19 OK 15 76 - 20 - 3.0/5921=4, ~5921=3...(9) HA LYS 83 - HG2 GLU 19 poor 10 93 - 11 - 1208/3.0=1, 1209/3.0=1...(5) HA LYS 83 - HG3 GLU 19 poor 10 93 - 11 - 1208/3.0=1, 1209/3.0=1...(5) HA THR 88 - HG3 GLU 87 poor 9 64 - 15 - 3.0/5921=4, ~4032=3...(5) HA THR 88 - HG2 GLU 87 poor 9 63 - 15 - 3.0/5921=4, ~4032=3...(5) HA THR 15 - HG2 GLU 25 poor 6 56 - 10 - 1128/5.0=2, ~11=2...(4) HA GLU 19 - HG3 GLU 50 lone 5 73 - 7 - HA LEU 64 - HG3 GLU 87 lone 5 91 - 5 - 6135/4.8=3 HA LEU 64 - HG2 GLU 87 lone 5 90 - 5 - 6135/4.8=3 HA GLU 19 - HG2 GLU 25 lone 5 62 - 8 - HA LEU 64 - HG2 GLU 19 lone 4 100 - 4 - HA LEU 64 - HG3 GLU 19 lone 4 100 - 4 - HA LYS 39 - HG3 GLU 50 lone 4 71 - 5 - 5790/4.9=4 HA THR 88 - HG2 GLU 25 lone 4 40 - 10 - ~5513=2, ~3746=2...(4) HA LYS 83 - HG3 GLU 87 lone 3 82 - 4 - HA ARG 17 - HG3 GLU 19 lone 3 81 - 4 - HA ARG 17 - HG2 GLU 19 lone 3 81 - 4 - HA LYS 83 - HG2 GLU 87 lone 3 80 - 4 - HA ALA 20 - HG3 GLU 50 lone 3 73 - 4 - HA LEU 64 - HG3 GLU 50 lone 3 73 - 4 - ~4698=2 HA THR 15 - HG3 GLU 19 lone 3 97 - 3 - HA THR 15 - HG2 GLU 19 lone 3 97 - 3 - HA ALA 12 - HG2 GLU 19 lone 2 100 - 2 - HA ALA 12 - HG3 GLU 19 lone 2 100 - 2 - HA ALA 77 - HG3 GLU 19 lone 2 73 - 3 - HA ALA 77 - HG2 GLU 19 lone 2 73 - 3 - HA ALA 20 - HG2 GLU 25 lone 2 61 - 4 - HA LYS 39 - HG3 GLU 19 lone 2 99 - 2 - HA LYS 39 - HG2 GLU 19 lone 2 99 - 2 - HA ARG 17 - HG3 GLU 87 lone 2 69 - 3 - HA ALA 77 - HG2 GLU 25 lone 2 38 - 5 - ~5512=1 HA ARG 17 - HG2 GLU 87 lone 2 67 - 3 - HA ASP 38 - HG3 GLU 19 lone 2 78 - 2 - HA ASP 38 - HG2 GLU 19 lone 2 78 - 2 - HA LYS 75 - HG2 GLU 19 lone 2 95 - 2 - HA LYS 75 - HG3 GLU 19 lone 2 95 - 2 - HA ALA 12 - HG3 GLU 87 lone 2 92 - 2 - HA ALA 12 - HG2 GLU 87 lone 2 90 - 2 - HA LYS 39 - HG3 GLU 87 lone 2 89 - 2 - HA LYS 39 - HG2 GLU 87 lone 2 88 - 2 - HA LYS 85 - HG3 GLU 19 lone 1 63 - 2 - HA LYS 85 - HG2 GLU 19 lone 1 63 - 2 - HA ALA 77 - HG3 GLU 50 lone 1 46 - 3 - HA LYS 85 - HG3 GLU 87 lone 1 52 - 2 - HA LYS 85 - HG2 GLU 87 lone 1 51 - 2 - HA LEU 64 - HG2 GLU 25 lone 1 61 - 2 - HA THR 15 - HG3 GLU 87 lone 1 86 - 1 - HA THR 15 - HG2 GLU 87 lone 1 84 - 1 - HA LYS 83 - HG2 GLU 25 lone 1 53 - 2 - HA ASP 38 - HG3 GLU 87 lone 1 66 - 2 - HA ASP 38 - HG2 GLU 87 lone 1 65 - 2 - HA ALA 77 - HG3 GLU 87 lone 1 62 - 2 - HA ALA 77 - HG2 GLU 87 lone 1 60 - 2 - HA THR 88 - HG3 GLU 50 lone 1 48 - 2 - HA SER 60 - HG2 GLU 19 lone 1 81 - 1 - HA SER 60 - HG3 GLU 19 lone 1 81 - 1 - HA LYS 75 - HG3 GLU 87 lone 1 83 - 1 - HA LYS 75 - HG2 GLU 87 lone 1 81 - 1 - HA ALA 12 - HG2 GLU 25 lone 1 62 - 1 - HA LYS 83 - HG3 GLU 50 lone 1 63 - 1 - HA ARG 17 - HG2 GLU 25 lone 1 43 - 2 - HA ALA 12 - HG3 GLU 50 lone 1 73 - 1 - HA LYS 75 - HG3 GLU 50 lone 1 65 - 1 - HA THR 15 - HG3 GLU 50 lone 1 67 - 1 - HA SER 60 - HG3 GLU 87 lone 1 69 - 1 - HA SER 60 - HG2 GLU 87 lone 1 67 - 1 - HA ARG 17 - HG3 GLU 50 lone 1 52 - 1 - HA LYS 85 - HG2 GLU 25 lone 1 32 - 2 - HA LYS 39 - HG2 GLU 25 lone 1 60 - 1 - HA LYS 75 - HG2 GLU 25 lone 1 54 - 1 - HA SER 60 - HG2 GLU 25 lone 0 43 - 1 - HA LYS 85 - HG3 GLU 50 lone 0 39 - 1 - HA ASP 38 - HG3 GLU 50 lone 0 50 - 1 - HA SER 60 - HG3 GLU 50 lone 0 52 - 1 - HA ASP 38 - HG2 GLU 25 lone 0 41 - 1 - Peak 1232 from cnoeabs.peaks (1.91, 2.23, 36.01 ppm; 3.61 A): 7 out of 66 assignments used, quality = 1.00: * HB2 GLU 19 + HG3 GLU 19 OK 100 100 - 100 - 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 - 100 - 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 - 100 - 3.0=100 HB3 GLU 87 + HG3 GLU 19 OK 53 100 - 53 - 1208/3.9=4, 3.0/3560=4...(30) HB3 GLU 87 + HG2 GLU 19 OK 53 100 - 53 - 1208/3.9=4, 3.0/3560=4...(30) HB2 GLU 19 + HG3 GLU 87 OK 45 92 - 50 - 3568/4.0=4, 3.0/1211=4...(30) HB2 GLU 19 - HG2 GLU 87 OK 44 90 - 50 - 3568/4.0=4, 3.0/1211=4...(32) HB2 GLN 91 - HG2 GLU 19 OK 14 95 - 15 - 3.6/5905=3, ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 19 OK 14 95 - 15 - 3.6/5905=3, ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 87 OK 13 83 - 16 - 3558/4.0=1, ~3661=1...(5) HB2 GLN 91 - HG2 GLU 87 OK 13 81 - 16 - 3558/4.0=1, ~3661=1...(5) HB3 GLU 87 - HG3 GLU 50 OK 12 73 - 16 - ~2202=2, ~2207=2...(4) HB ILE 68 - HG3 GLU 87 poor 8 83 - 10 - 2749/4.8=3, 3558/4.0=2 HB3 ARG 26 - HG2 GLU 25 poor 8 30 - 28 - 3.9/58=7, ~1353=4...(12) HB ILE 68 - HG2 GLU 87 poor 8 81 - 10 - 2749/4.8=3, 3558/4.0=2 HB3 PRO 14 - HG2 GLU 25 poor 8 40 - 21 - ~1356=3, 1108/1.8=3...(8) HG13 ILE 68 - HG3 GLU 87 lone 8 82 - 9 - 2770/4.8=3, 3558/4.0=2 HG13 ILE 68 - HG2 GLU 87 lone 8 80 - 9 - 2770/4.8=3, 3558/4.0=2 HB ILE 68 - HG2 GLU 19 lone 6 95 - 7 - HB ILE 68 - HG3 GLU 19 lone 6 95 - 7 - HB2 GLU 19 - HG3 GLU 50 lone 6 73 - 8 - HG13 ILE 68 - HG3 GLU 19 lone 6 93 - 6 - HG13 ILE 68 - HG2 GLU 19 lone 6 93 - 6 - HB2 MET 11 - HG3 GLU 50 poor 5 45 - 11 - ~4511=3, ~6110=2, ~972=2 HB2 MET 31 - HG3 GLU 50 poor 5 43 - 11 - 4203/3.7=1, 1530/4.9=1...(4) HB2 GLU 19 - HG2 GLU 25 lone 4 62 - 7 - HB VAL 41 - HG2 GLU 19 lone 3 83 - 4 - HB VAL 41 - HG3 GLU 19 lone 3 83 - 4 - HG12 ILE 40 - HG2 GLU 19 lone 3 100 - 3 - HG12 ILE 40 - HG3 GLU 19 lone 3 100 - 3 - HB2 GLN 91 - HG2 GLU 25 lone 3 54 - 5 - 3.6/5905=3 HG12 ILE 40 - HG3 GLU 87 lone 3 91 - 3 - HB3 ARG 26 - HG2 GLU 19 lone 3 60 - 4 - HB3 ARG 26 - HG3 GLU 19 lone 3 60 - 4 - HG12 ILE 40 - HG2 GLU 87 lone 3 89 - 3 - HB VAL 41 - HG3 GLU 50 lone 2 54 - 4 - 3821/4.9=2 HB3 GLU 87 - HG2 GLU 25 lone 2 62 - 4 - HB2 MET 11 - HG3 GLU 87 lone 2 60 - 3 - HB2 MET 11 - HG2 GLU 87 lone 2 58 - 3 - HB2 MET 31 - HG2 GLU 25 lone 2 35 - 4 - HB3 ARG 26 - HG3 GLU 87 lone 1 50 - 3 - HB VAL 41 - HG3 GLU 87 lone 1 71 - 2 - HB3 ARG 26 - HG2 GLU 87 lone 1 49 - 3 - HB VAL 41 - HG2 GLU 87 lone 1 69 - 2 - HB3 PRO 14 - HG3 GLU 19 lone 1 76 - 2 - HB3 PRO 14 - HG2 GLU 19 lone 1 76 - 2 - HG12 ILE 40 - HG3 GLU 50 lone 1 72 - 2 - HB2 MET 31 - HG2 GLU 19 lone 1 68 - 2 - HB2 MET 31 - HG3 GLU 19 lone 1 68 - 2 - HB2 MET 31 - HG3 GLU 87 lone 1 57 - 2 - HB2 MET 31 - HG2 GLU 87 lone 1 56 - 2 - HB2 MET 11 - HG3 GLU 19 lone 1 71 - 1 - HB2 MET 11 - HG2 GLU 19 lone 1 71 - 1 - HB2 GLN 91 - HG3 GLU 50 lone 1 65 - 1 - HB3 PRO 14 - HG3 GLU 87 lone 1 64 - 1 - HB3 PRO 14 - HG2 GLU 87 lone 1 63 - 1 - HB ILE 68 - HG2 GLU 25 lone 1 54 - 2 - HG12 ILE 40 - HG2 GLU 25 lone 1 61 - 1 - HG13 ILE 68 - HG3 GLU 50 lone 1 63 - 1 - HB ILE 68 - HG3 GLU 50 lone 1 65 - 1 - HB3 ARG 26 - HG3 GLU 50 lone 1 37 - 1 - HG13 ILE 68 - HG2 GLU 25 lone 0 53 - 1 - HB3 PRO 14 - HG3 GLU 50 lone 0 48 - 1 - HB VAL 41 - HG2 GLU 25 lone 0 45 - 1 - HB2 MET 11 - HG2 GLU 25 lone 0 37 - 1 - Peak 1233 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 6 out of 96 assignments used, quality = 1.00: * HB3 GLU 19 + HG3 GLU 19 OK 69 100 - 69 - 3.0=62, 1222/1.8=6...(7) HB3 GLU 19 + HG2 GLU 19 OK 69 100 - 69 - 3.0=62, 1222/1.8=6...(7) HB2 GLU 87 + HG3 GLU 87 OK 61 89 - 68 - 3.0=64, 3566/1.8=6...(4) HB2 GLU 87 + HG2 GLU 87 OK 60 88 - 68 - 3.0=64, 3566/1.8=6...(4) HB2 GLU 50 + HG3 GLU 50 OK 50 73 - 69 - 3.0=64, 1.8/2196=5...(6) HB3 GLU 50 + HG3 GLU 50 OK 50 73 - 69 - 3.0=64, 1.8/2196=5...(6) HB2 GLU 25 - HG2 GLU 25 OK 39 52 - 76 - 3.0=63, 1354/1.8=8...(12) HB3 GLU 25 - HG2 GLU 25 OK 38 50 - 76 - 3.0=63, 1354/1.8=8...(12) HB2 GLU 87 - HG2 GLU 19 OK 27 99 - 28 - 1223=3, 3566/1.8=2...(11) HB2 GLU 87 - HG3 GLU 19 OK 27 99 - 28 - 1222=3, 3566/1.8=2...(11) HB3 GLU 19 - HG3 GLU 87 OK 25 92 - 27 - 1222=3, 3557/4.0=2...(8) HB3 GLU 19 - HG2 GLU 87 OK 24 90 - 27 - 1223=3, 3557/4.0=2...(10) HB3 GLU 50 - HG3 GLU 87 OK 16 92 - 18 - 2196/1.8=2, 2196=2...(7) HB2 GLU 50 - HG3 GLU 87 OK 16 92 - 18 - 2196/1.8=2, 2196=2...(7) HB2 GLU 50 - HG2 GLU 87 OK 16 90 - 18 - 2190/1.8=2, 2190=2...(7) HB3 GLU 50 - HG2 GLU 87 OK 16 90 - 18 - 2190/1.8=2, 2190=2...(7) HB3 GLU 50 - HG3 GLU 19 lone 8 100 - 8 - HB2 GLU 50 - HG2 GLU 19 lone 8 100 - 8 - HB2 GLU 50 - HG3 GLU 19 lone 8 100 - 8 - HB3 GLU 50 - HG2 GLU 19 lone 8 100 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 7 92 - 8 - HB3 GLN 91 - HG2 GLU 87 lone 7 90 - 8 - HB3 GLN 91 - HG2 GLU 19 lone 6 100 - 7 - 3.6/5905=1 HB3 GLN 91 - HG3 GLU 19 lone 6 100 - 7 - 3.6/5905=1 HB2 GLU 25 - HG3 GLU 19 lone 6 92 - 6 - HB2 GLU 25 - HG2 GLU 19 lone 6 92 - 6 - HB3 GLU 25 - HG3 GLU 19 lone 6 90 - 6 - HB3 GLU 25 - HG2 GLU 19 lone 6 90 - 6 - HB2 GLU 87 - HG3 GLU 50 lone 5 71 - 7 - 2199/1.8=1 HD2 ARG 69 - HG3 GLU 50 lone 3 70 - 5 - HD3 ARG 69 - HG3 GLU 50 lone 3 70 - 5 - HB3 GLU 19 - HG3 GLU 50 lone 3 73 - 3 - HB3 GLU 50 - HG2 GLU 25 lone 2 62 - 3 - HB2 GLU 50 - HG2 GLU 25 lone 2 62 - 3 - HB2 GLU 25 - HG3 GLU 50 lone 2 62 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 2 60 - 3 - HG2 PRO 44 - HG3 GLU 50 lone 2 69 - 3 - HB3 GLU 19 - HG2 GLU 25 lone 2 62 - 3 - HB VAL 76 - HG3 GLU 50 lone 2 71 - 2 - HB3 GLN 91 - HG2 GLU 25 lone 1 62 - 2 - 3.6/5905=1 HD3 ARG 69 - HG2 GLU 19 lone 1 99 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 99 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 99 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 99 - 1 - HG2 PRO 56 - HG2 GLU 25 lone 1 62 - 2 - HG2 PRO 44 - HG2 GLU 25 lone 1 58 - 2 - HB3 PRO 56 - HG2 GLU 25 lone 1 60 - 2 - HB2 GLU 25 - HG3 GLU 87 lone 1 80 - 1 - HB2 GLU 25 - HG2 GLU 87 lone 1 78 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 78 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 89 - 1 - HD3 ARG 69 - HG3 GLU 87 lone 1 89 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 77 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 87 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 87 - 1 - HB2 GLU 87 - HG2 GLU 25 lone 1 60 - 1 - HB VAL 90 - HG2 GLU 25 lone 1 45 - 2 - 4.4/5905=1 HB VAL 76 - HG2 GLU 19 lone 1 99 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 99 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 89 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 71 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 88 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 73 - 1 - HD3 ARG 69 - HG2 GLU 25 lone 1 59 - 1 - HD2 ARG 69 - HG2 GLU 25 lone 1 59 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 1 99 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 1 99 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 92 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 90 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 90 - 1 - HB VAL 90 - HG2 GLU 19 lone 1 83 - 1 - HB VAL 90 - HG3 GLU 19 lone 1 83 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 1 100 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 1 100 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 89 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 1 98 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 1 98 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 0 88 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 0 86 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 0 73 - 1 - HB VAL 76 - HG2 GLU 25 lone 0 60 - 1 - HB VAL 90 - HG3 GLU 87 lone 0 71 - 1 - HB VAL 90 - HG2 GLU 87 lone 0 69 - 1 - HB VAL 45 - HG3 GLU 50 lone 0 41 - 1 - HB VAL 90 - HG3 GLU 50 lone 0 54 - 1 - HG2 ARG 66 - HG3 GLU 19 lone 0 63 - 0 - HG2 ARG 66 - HG2 GLU 19 lone 0 63 - 0 - HG2 ARG 66 - HG3 GLU 87 lone 0 52 - 0 - HG2 ARG 66 - HG2 GLU 87 lone 0 51 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 65 - 0 - HB VAL 45 - HG3 GLU 19 lone 0 65 - 0 - HB VAL 45 - HG3 GLU 87 lone 0 55 - 0 - HB VAL 45 - HG2 GLU 25 lone 0 33 - 0 - HB VAL 45 - HG2 GLU 87 lone 0 53 - 0 - HG2 ARG 66 - HG3 GLU 50 lone 0 39 - 0 - HG2 ARG 66 - HG2 GLU 25 lone 0 32 - 0 - Peak 1234 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HG3 GLU 19 + HG3 GLU 19 OK 100 100 - 100 HG2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 80 80 - 100 HG2 GLU 87 + HG2 GLU 87 OK 77 77 - 100 HG3 GLU 50 + HG3 GLU 50 OK 46 46 - 100 HG2 GLU 25 - HG2 GLU 25 OK 32 32 - 100 Reference assignment not found: HG2 GLU 19 - HG3 GLU 19 Peak 1235 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HG3 GLU 19 + HG3 GLU 19 OK 100 100 - 100 HG2 GLU 19 + HG2 GLU 19 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 80 80 - 100 HG2 GLU 87 + HG2 GLU 87 OK 77 77 - 100 HG3 GLU 50 + HG3 GLU 50 OK 46 46 - 100 HG2 GLU 25 - HG2 GLU 25 OK 32 32 - 100 Peak 1236 from cnoeabs.peaks (8.45, 4.26, 52.94 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 20 + HA ALA 20 OK 100 100 - 100 - 3.0=100 H ILE 68 - HA ALA 20 OK 22 92 - 24 - 5810=5, 4.6/4738=4...(7) H GLU 87 - HA ALA 20 poor 8 60 - 13 - ~3555=2, 4.0/1219=2...(5) H ALA 20 - HA ALA 77 poor 6 49 - 12 - 1239/2.1=3, 4.5/3725=1, 27=1 H ILE 68 - HA ALA 77 lone 2 40 - 5 - H GLU 87 - HA ALA 77 lone 1 23 - 3 - Peak 1237 from cnoeabs.peaks (4.26, 4.26, 52.94 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ALA 20 + HA ALA 20 OK 100 100 - 100 HA ALA 77 - HA ALA 77 OK 24 24 - 100 Peak 1238 from cnoeabs.peaks (1.38, 4.26, 52.94 ppm; 2.85 A): 2 out of 26 assignments used, quality = 1.00: * QB ALA 20 + HA ALA 20 OK 100 100 - 100 - 2.1=100 QB ALA 77 + HA ALA 77 OK 49 49 - 100 - 2.1=100 QB ALA 78 - HA ALA 77 OK 13 45 - 29 - 821/3.6=9, 818/3.0=3...(10) QB ALA 77 - HA ALA 20 lone 6 100 - 6 - 1239/3.0=1, 34/3.6=1 QB ALA 16 - HA ALA 20 lone 5 87 - 5 - 3.6/3725=1 HG3 ARG 69 - HA ALA 20 lone 4 100 - 4 - 499/3.0=1 QB ALA 78 - HA ALA 20 lone 3 97 - 3 - HB3 ARG 69 - HA ALA 20 lone 3 89 - 3 - 499/3.0=1 HG3 LYS 75 - HA ALA 77 lone 3 43 - 7 - 4.9/339=2, 818/3.0=1 HG2 LYS 75 - HA ALA 77 lone 3 43 - 7 - 4.9/339=2, 818/3.0=1 QB ALA 20 - HA ALA 77 lone 3 49 - 6 - HG3 LYS 75 - HA ALA 20 lone 2 96 - 3 - HG2 LYS 75 - HA ALA 20 lone 2 96 - 3 - HG3 ARG 69 - HA ALA 77 lone 2 49 - 4 - 818/3.0=2 HG3 LYS 39 - HA ALA 20 lone 2 65 - 2 - HG2 LYS 85 - HA ALA 77 lone 1 49 - 3 - HB3 ARG 69 - HA ALA 77 lone 1 38 - 4 - 818/3.0=1 HG2 LYS 83 - HA ALA 20 lone 1 98 - 1 - HG3 LYS 73 - HA ALA 77 lone 1 45 - 3 - HG3 LYS 73 - HA ALA 20 lone 1 97 - 1 - HG2 LYS 85 - HA ALA 20 lone 1 100 - 1 - QB ALA 16 - HA ALA 77 lone 1 37 - 3 - HG2 LYS 83 - HA ALA 77 lone 1 46 - 2 - QB ALA 53 - HA ALA 20 lone 1 92 - 1 - QB ALA 53 - HA ALA 77 lone 0 40 - 1 - HG3 LYS 39 - HA ALA 77 lone 0 26 - 2 - Peak 1239 from cnoeabs.peaks (8.45, 1.38, 18.75 ppm; 3.84 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 20 + QB ALA 20 OK 100 100 - 100 - 2.9=100 H ALA 20 - QB ALA 77 OK 11 100 - 11 - 499=3, 4.5/34=2...(4) H ILE 68 - QB ALA 20 OK 11 92 - 12 - 1236/2.1=4, ~2742=2...(4) H ALA 20 - QB ALA 78 lone 7 96 - 7 - 499=2, 499/4.6=1 H GLU 87 - QB ALA 20 lone 6 60 - 9 - 3720/4.5=2, ~3555=1...(5) H ALA 20 - QB ALA 16 lone 5 55 - 9 - 499=2 H ILE 68 - QB ALA 77 lone 3 91 - 3 - H ILE 68 - QB ALA 78 lone 1 85 - 2 - H GLU 87 - QB ALA 77 lone 1 60 - 2 - H ILE 68 - QB ALA 16 lone 1 45 - 2 - H GLU 87 - QB ALA 78 lone 1 54 - 2 - H GLU 87 - QB ALA 16 lone 1 26 - 3 - Peak 1240 from cnoeabs.peaks (4.26, 1.38, 18.75 ppm; 2.60 A): 2 out of 52 assignments used, quality = 1.00: * HA ALA 20 + QB ALA 20 OK 100 100 - 100 - 2.1=100 HA ALA 77 + QB ALA 77 OK 62 62 - 100 - 2.1=100 HA GLU 19 - QB ALA 20 OK 29 100 - 29 - 4.5=19, 498/2.9=6, ~29=2 HA ALA 77 - QB ALA 78 OK 14 56 - 25 - 3.6/821=7, 3.0/818=3...(9) HA ARG 17 - QB ALA 16 poor 9 43 - 20 - 5.0=14, ~22=6 HA LEU 64 - QB ALA 20 lone 7 100 - 7 - 33/3.6=2, 6135/2.9=2 HA THR 15 - QB ALA 16 poor 7 45 - 15 - 5.0=14 HA LYS 75 - QB ALA 77 lone 6 88 - 7 - 817/2.9=1, 4.7/6114=1 HA ALA 20 - QB ALA 77 lone 5 100 - 5 - 1238=1 HA ARG 17 - QB ALA 20 lone 4 89 - 4 - HA ALA 77 - QB ALA 20 lone 3 63 - 5 - HA ALA 20 - QB ALA 78 lone 3 96 - 3 - HA ALA 20 - QB ALA 16 lone 3 55 - 5 - HA LYS 75 - QB ALA 78 lone 2 81 - 3 - HA LYS 39 - QB ALA 20 lone 2 97 - 2 - HA THR 15 - QB ALA 77 lone 2 91 - 2 - HA LYS 83 - QB ALA 77 lone 2 86 - 2 - HA GLU 19 - QB ALA 77 lone 2 100 - 2 - HA LYS 75 - QB ALA 20 lone 2 89 - 2 - HA THR 15 - QB ALA 20 lone 2 92 - 2 - HA LEU 64 - QB ALA 16 lone 2 55 - 3 - 484/3.6=2 HA LYS 83 - QB ALA 20 lone 2 87 - 2 - HA LYS 39 - QB ALA 77 lone 1 96 - 1 - HA LYS 83 - QB ALA 78 lone 1 79 - 2 - HA THR 88 - QB ALA 20 lone 1 85 - 1 - HA ALA 12 - QB ALA 77 lone 1 100 - 1 - HA GLU 19 - QB ALA 78 lone 1 95 - 1 - HA LEU 64 - QB ALA 77 lone 1 100 - 1 - HA GLU 19 - QB ALA 16 lone 1 54 - 2 - HA ALA 12 - QB ALA 16 lone 1 54 - 2 - HA LYS 39 - QB ALA 78 lone 1 90 - 1 - HA ASP 38 - QB ALA 20 lone 1 87 - 1 - HA ALA 12 - QB ALA 20 lone 1 100 - 1 - HA ARG 17 - QB ALA 77 lone 1 88 - 1 - HA THR 15 - QB ALA 78 lone 1 85 - 1 - HA ALA 77 - QB ALA 16 lone 1 28 - 2 - HA SER 60 - QB ALA 20 lone 1 89 - 1 - HA ALA 12 - QB ALA 78 lone 1 95 - 1 - HA LEU 64 - QB ALA 78 lone 0 96 - 0 - HA THR 88 - QB ALA 77 lone 0 84 - 1 - HA ASP 38 - QB ALA 77 lone 0 86 - 0 - HA THR 88 - QB ALA 78 lone 0 77 - 1 - HA ARG 17 - QB ALA 78 lone 0 81 - 1 - HA LYS 83 - QB ALA 16 lone 0 42 - 1 - HA ASP 38 - QB ALA 78 lone 0 79 - 0 - HA THR 88 - QB ALA 16 lone 0 40 - 1 - HA LYS 39 - QB ALA 16 lone 0 50 - 1 - HA SER 60 - QB ALA 77 lone 0 88 - 0 - HA LYS 75 - QB ALA 16 lone 0 43 - 1 - HA SER 60 - QB ALA 78 lone 0 81 - 0 - HA SER 60 - QB ALA 16 lone 0 43 - 0 - HA ASP 38 - QB ALA 16 lone 0 42 - 0 - Peak 1241 from cnoeabs.peaks (1.38, 1.38, 18.75 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * QB ALA 20 + QB ALA 20 OK 100 100 - 100 QB ALA 77 + QB ALA 77 OK 100 100 - 100 QB ALA 78 + QB ALA 78 OK 91 91 - 100 QB ALA 16 - QB ALA 16 OK 42 42 - 100 Peak 1242 from cnoeabs.peaks (8.39, 3.95, 45.26 ppm; 3.67 A): 4 out of 16 assignments used, quality = 1.00: * H GLY 21 + HA2 GLY 21 OK 100 100 - 100 - 2.9=100 H GLY 21 + HA3 GLY 21 OK 100 100 - 100 - 2.9=100 H GLY 18 + HA3 GLY 18 OK 56 56 - 100 - 3.0=100 H GLY 18 + HA2 GLY 18 OK 54 54 - 100 - 3.0=100 H VAL 65 - HA3 GLY 21 OK 23 100 - 23 - 4720=4, 4720/1.8=3...(10) H VAL 65 - HA2 GLY 21 OK 23 100 - 23 - 4720=4, 4720/1.8=3...(10) H VAL 65 - HA3 GLY 18 poor 9 67 - 14 - 4720=3, 4720/1.8=2...(6) H VAL 65 - HA2 GLY 18 poor 9 64 - 14 - 4720=3, 4720/1.8=2...(6) H ARG 17 - HA3 GLY 21 lone 7 98 - 7 - 23/4.8=1 H ARG 17 - HA2 GLY 21 lone 7 98 - 7 - 23/4.8=1 H GLY 18 - HA3 GLY 21 lone 6 92 - 6 - H GLY 18 - HA2 GLY 21 lone 5 92 - 6 - H GLY 21 - HA3 GLY 18 lone 4 67 - 6 - 3.6/5494=2 H GLY 21 - HA2 GLY 18 lone 4 65 - 6 - 3.6/5494=2 H ARG 17 - HA3 GLY 18 lone 1 63 - 2 - H ARG 17 - HA2 GLY 18 lone 1 61 - 2 - Peak 1243 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HA2 GLY 21 + HA2 GLY 21 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 100 100 - 100 HA3 GLY 18 - HA3 GLY 18 OK 44 44 - 100 HA2 GLY 18 - HA2 GLY 18 OK 40 40 - 100 Peak 1244 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HA2 GLY 21 + HA2 GLY 21 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 100 100 - 100 HA3 GLY 18 + HA3 GLY 18 OK 45 45 - 100 HA2 GLY 18 - HA2 GLY 18 OK 42 42 - 100 Reference assignment not found: HA3 GLY 21 - HA2 GLY 21 Peak 1245 from cnoeabs.peaks (8.39, 3.95, 45.26 ppm; 3.67 A): 4 out of 16 assignments used, quality = 1.00: * H GLY 21 + HA3 GLY 21 OK 100 100 - 100 - 2.9=100 H GLY 21 + HA2 GLY 21 OK 100 100 - 100 - 2.9=100 H GLY 18 + HA3 GLY 18 OK 58 58 - 100 - 3.0=100 H GLY 18 + HA2 GLY 18 OK 56 56 - 100 - 3.0=100 H VAL 65 - HA3 GLY 21 OK 23 100 - 23 - 4720=4, 4720/1.8=3...(10) H VAL 65 - HA2 GLY 21 OK 23 100 - 23 - 4720=4, 4720/1.8=3...(10) H VAL 65 - HA3 GLY 18 poor 10 69 - 14 - 4720=3, 4720/1.8=2...(6) H VAL 65 - HA2 GLY 18 poor 9 67 - 14 - 4720=3, 4720/1.8=2...(6) H ARG 17 - HA3 GLY 21 lone 7 98 - 7 - 23/4.8=1 H ARG 17 - HA2 GLY 21 lone 7 98 - 7 - 23/4.8=1 H GLY 18 - HA3 GLY 21 lone 6 92 - 6 - H GLY 18 - HA2 GLY 21 lone 6 92 - 6 - H GLY 21 - HA3 GLY 18 lone 4 70 - 6 - 3.6/5494=2 H GLY 21 - HA2 GLY 18 lone 4 67 - 6 - 3.6/5494=2 H ARG 17 - HA3 GLY 18 lone 1 65 - 2 - H ARG 17 - HA2 GLY 18 lone 1 63 - 2 - Peak 1246 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HA2 GLY 21 + HA2 GLY 21 OK 100 100 - 100 HA3 GLY 21 + HA3 GLY 21 OK 100 100 - 100 HA3 GLY 18 + HA3 GLY 18 OK 45 45 - 100 HA2 GLY 18 - HA2 GLY 18 OK 42 42 - 100 Reference assignment not found: HA2 GLY 21 - HA3 GLY 21 Peak 1247 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA3 GLY 21 + HA3 GLY 21 OK 100 100 - 100 HA2 GLY 21 + HA2 GLY 21 OK 100 100 - 100 HA3 GLY 18 + HA3 GLY 18 OK 47 47 - 100 HA2 GLY 18 - HA2 GLY 18 OK 44 44 - 100 Peak 1248 from cnoeabs.peaks (8.21, 4.45, 58.33 ppm; 4.22 A): 1 out of 16 assignments used, quality = 1.00: * H SER 22 + HA SER 22 OK 100 100 - 100 - 2.9=100 H GLU 25 - HA SER 22 OK 45 97 - 46 - 5084/3.0=16, 5085/3.0=14...(7) H SER 22 - HA TYR 81 OK 31 95 - 33 - 504=8, 3.9/1251=5...(10) H THR 15 - HA SER 22 OK 29 99 - 29 - 4.0/5500=8, 10=8...(7) H ARG 84 - HA TYR 81 OK 15 88 - 17 - 4.6/5501=4, 4.0/6058=3...(7) H ALA 77 - HA TYR 81 OK 14 84 - 17 - 6039/4.8=8, ~5882=2...(6) H GLN 79 - HA TYR 81 OK 13 94 - 14 - ~5882=3, ~5459=3...(5) H ALA 28 - HA SER 22 OK 11 100 - 11 - 3.6/5503=2, 1252/3.0=2...(4) H THR 15 - HA TYR 81 lone 8 93 - 8 - 4.0/5500=3, 10=2, 4.0/1107=2 H ARG 84 - HA SER 22 lone 7 96 - 7 - 4.6/5501=2 H GLU 25 - HA TYR 81 lone 7 91 - 7 - 4.6/5501=2, 5084/1251=1 H ALA 77 - HA SER 22 lone 3 92 - 4 - H ALA 28 - HA TYR 81 lone 3 95 - 3 - H GLN 79 - HA SER 22 lone 2 100 - 2 - H ALA 12 - HA SER 22 lone 1 63 - 2 - H ALA 12 - HA TYR 81 lone 1 56 - 1 - Peak 1249 from cnoeabs.peaks (4.45, 4.45, 58.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 22 + HA SER 22 OK 100 100 - 100 HA TYR 81 + HA TYR 81 OK 88 88 - 100 Peak 1250 from cnoeabs.peaks (4.01, 4.45, 58.33 ppm; 3.11 A): 1 out of 10 assignments used, quality = 1.00: * HB2 SER 22 + HA SER 22 OK 100 100 - 100 - 3.0=100 HB2 SER 22 - HA TYR 81 OK 20 95 - 21 - 1253=6, 1.8/1251=5...(8) HA ARG 54 - HA SER 22 OK 15 100 - 15 - 1258/3.0=4, ~2316=2...(9) HA ARG 54 - HA TYR 81 OK 12 95 - 12 - 2306/3.0=3, ~2322=1...(5) HA ARG 70 - HA SER 22 lone 5 98 - 5 - HA PHE 48 - HA TYR 81 lone 5 79 - 6 - 2142/3.7=3, 3.7/5466=2 HA ARG 70 - HA TYR 81 lone 4 92 - 4 - 2.9/4792=1 HD2 PRO 44 - HA SER 22 lone 4 65 - 5 - HA PHE 48 - HA SER 22 lone 3 87 - 4 - HD2 PRO 44 - HA TYR 81 lone 0 58 - 1 - Peak 1251 from cnoeabs.peaks (3.89, 4.45, 58.33 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 22 + HA SER 22 OK 100 100 - 100 - 3.0=100 HB3 SER 22 - HA TYR 81 OK 21 95 - 23 - 1257=7, 1.8/1253=5...(9) HA LEU 51 - HA SER 22 OK 13 100 - 13 - 1255/3.0=4, ~2224=1...(7) HA LEU 51 - HA TYR 81 lone 3 95 - 3 - 4513/3.0=1 HA ILE 33 - HA SER 22 lone 3 100 - 3 - HD2 PRO 36 - HA SER 22 lone 1 78 - 2 - HD2 PRO 36 - HA TYR 81 lone 1 70 - 1 - HA ILE 33 - HA TYR 81 lone 1 94 - 1 - Peak 1252 from cnoeabs.peaks (8.21, 4.01, 63.89 ppm; 4.61 A): 2 out of 8 assignments used, quality = 1.00: * H SER 22 + HB2 SER 22 OK 100 100 - 100 - 3.9=100 H GLU 25 + HB2 SER 22 OK 56 97 - 58 - 5084/1.8=22, 5085=22...(6) H THR 15 - HB2 SER 22 OK 20 99 - 20 - 10/3.0=7, 3.6/1253=6...(4) H ALA 28 - HB2 SER 22 OK 12 100 - 12 - 4.3/5499=2, 4.3/5499=2...(5) H ARG 84 - HB2 SER 22 lone 7 96 - 7 - 4.6/5319=2, 6057/3.0=1 H ALA 77 - HB2 SER 22 lone 3 92 - 4 - H GLN 79 - HB2 SER 22 lone 2 100 - 2 - H ALA 12 - HB2 SER 22 lone 1 63 - 2 - Peak 1253 from cnoeabs.peaks (4.45, 4.01, 63.89 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 22 + HB2 SER 22 OK 100 100 - 100 - 3.0=100 HA PRO 14 - HB2 SER 22 OK 22 99 - 23 - 1257/1.8=5, ~5498=4...(9) HA TYR 81 - HB2 SER 22 OK 21 96 - 22 - 1250=6, 1251/1.8=5...(9) HA MET 31 - HB2 SER 22 lone 3 65 - 5 - HA THR 58 - HB2 SER 22 lone 3 92 - 3 - HA ASP 67 - HB2 SER 22 lone 1 60 - 1 - Peak 1254 from cnoeabs.peaks (4.01, 4.01, 63.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 22 + HB2 SER 22 OK 100 100 - 100 Peak 1255 from cnoeabs.peaks (3.89, 4.01, 63.89 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 22 + HB2 SER 22 OK 100 100 - 100 - 1.8=100 HA LEU 51 - HB2 SER 22 OK 14 100 - 14 - 3.0/4523=1, 3.0/4524=1...(7) HA ILE 33 - HB2 SER 22 lone 3 100 - 3 - HD2 PRO 36 - HB2 SER 22 lone 1 78 - 2 - Peak 1256 from cnoeabs.peaks (8.21, 3.89, 63.89 ppm; 4.47 A): 2 out of 8 assignments used, quality = 1.00: * H SER 22 + HB3 SER 22 OK 100 100 - 100 - 3.9=100 H GLU 25 + HB3 SER 22 OK 57 97 - 59 - 5084=21, 5085/1.8=20...(7) H THR 15 - HB3 SER 22 OK 30 99 - 30 - 4.0/5498=10, 10/3.0=7...(6) H ALA 28 - HB3 SER 22 OK 10 100 - 10 - 1252/1.8=2, 6057/3.0=2...(4) H ARG 84 - HB3 SER 22 lone 7 96 - 7 - 4.6/5320=2, 1252/1.8=1 H ALA 77 - HB3 SER 22 lone 3 92 - 3 - H GLN 79 - HB3 SER 22 lone 2 100 - 2 - H ALA 12 - HB3 SER 22 lone 1 63 - 2 - Peak 1257 from cnoeabs.peaks (4.45, 3.89, 63.89 ppm; 3.24 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 22 + HB3 SER 22 OK 100 100 - 100 - 3.0=100 HA PRO 14 - HB3 SER 22 OK 24 99 - 25 - 2.3/5498=5, 1253/1.8=5...(9) HA TYR 81 - HB3 SER 22 OK 23 96 - 24 - 1251=7, 1253/1.8=5...(9) HA MET 31 - HB3 SER 22 lone 4 65 - 5 - 6117/3.9=1 HA THR 58 - HB3 SER 22 lone 3 92 - 3 - HA ASP 67 - HB3 SER 22 lone 1 60 - 1 - Peak 1258 from cnoeabs.peaks (4.01, 3.89, 63.89 ppm; 2.41 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 22 + HB3 SER 22 OK 100 100 - 100 - 1.8=100 HA ARG 54 - HB3 SER 22 OK 14 100 - 15 - 3.0/4567=2, 3.0/4569=2...(8) HA PHE 48 - HB3 SER 22 lone 3 87 - 4 - HA ARG 70 - HB3 SER 22 lone 2 98 - 2 - HD2 PRO 44 - HB3 SER 22 lone 2 65 - 3 - Peak 1259 from cnoeabs.peaks (3.89, 3.89, 63.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 22 + HB3 SER 22 OK 100 100 - 100 Peak 1260 from cnoeabs.peaks (8.49, 4.13, 58.01 ppm; 5.29 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 - 100 - 3.0=100 H ARG 23 - HA ARG 27 OK 38 74 - 51 - 508=13, 4.6/43=10...(15) H SER 60 - HA ARG 23 lone 6 95 - 7 - 5509/3.6=2, ~2512=1 H SER 60 - HA ARG 27 lone 3 66 - 5 - 4.6/5518=1, 4643/5.0=1 Peak 1261 from cnoeabs.peaks (4.13, 4.13, 58.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 23 + HA ARG 23 OK 100 100 - 100 HA ARG 27 + HA ARG 27 OK 68 68 - 100 Peak 1262 from cnoeabs.peaks (1.85, 4.13, 58.01 ppm; 2.89 A): 4 out of 26 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 93 100 - 93 - 3.0=90, 3.0/1285=11...(9) HB3 ARG 23 + HA ARG 23 OK 93 100 - 93 - 3.0=90, 3.0/1285=11...(9) HB2 ARG 27 + HA ARG 27 OK 69 73 - 95 - 3.0=92, 4.3/69=6...(18) HB3 ARG 27 + HA ARG 27 OK 68 72 - 95 - 3.0=92, 4.3/69=6...(18) HB2 ARG 27 - HA ARG 23 OK 18 99 - 18 - 45/3.6=2, 1287/3.8=1...(7) HB3 ARG 27 - HA ARG 23 OK 18 99 - 18 - 45/3.6=2, 4.1/534=1...(7) HB2 ARG 23 - HA ARG 27 OK 17 74 - 23 - 3.0/1285=4, 4.2/43=3...(7) HB3 ARG 23 - HA ARG 27 OK 17 74 - 23 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 71 - HA ARG 27 OK 13 73 - 17 - 536/3.0=2, ~65=1, 1423=1 HB3 ARG 71 - HA ARG 27 OK 12 72 - 17 - 536/3.0=2, ~65=1, 1423=1 HB ILE 89 - HA ARG 27 poor 7 49 - 15 - ~5521=2, 4.0/409=2...(7) HB2 ARG 17 - HA ARG 27 lone 7 72 - 9 - HB2 ARG 71 - HA ARG 23 lone 6 99 - 6 - HB3 ARG 71 - HA ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HA ARG 23 lone 5 99 - 5 - HB2 ARG 17 - HA ARG 23 lone 3 99 - 3 - HB2 LYS 75 - HA ARG 23 lone 3 100 - 3 - HB2 ARG 66 - HA ARG 23 lone 2 60 - 4 - HB ILE 89 - HA ARG 23 lone 2 76 - 2 - HB3 PRO 34 - HA ARG 27 lone 2 41 - 4 - HB2 LYS 39 - HA ARG 27 lone 2 71 - 2 - HB2 LYS 75 - HA ARG 27 lone 1 74 - 2 - HB2 ARG 66 - HA ARG 27 lone 1 38 - 4 - HB2 LYS 73 - HA ARG 23 lone 1 73 - 1 - HB2 LYS 73 - HA ARG 27 lone 1 47 - 2 - HB3 PRO 34 - HA ARG 23 lone 1 65 - 1 - Peak 1263 from cnoeabs.peaks (1.85, 4.13, 58.01 ppm; 2.89 A): 4 out of 26 assignments used, quality = 1.00: * HB3 ARG 23 + HA ARG 23 OK 93 100 - 93 - 3.0=90, 3.0/1285=11...(9) HB2 ARG 23 + HA ARG 23 OK 93 100 - 93 - 3.0=90, 3.0/1285=11...(9) HB2 ARG 27 + HA ARG 27 OK 70 73 - 95 - 3.0=92, 4.3/69=6...(18) HB3 ARG 27 + HA ARG 27 OK 69 73 - 95 - 3.0=92, 4.3/69=6...(18) HB2 ARG 27 - HA ARG 23 OK 18 100 - 18 - 45/3.6=2, 1287/3.8=1...(7) HB3 ARG 27 - HA ARG 23 OK 18 99 - 18 - 45/3.6=2, 4.1/534=1...(7) HB3 ARG 23 - HA ARG 27 OK 17 74 - 23 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 23 - HA ARG 27 OK 17 74 - 23 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 71 - HA ARG 27 OK 13 73 - 17 - 536/3.0=2, ~65=1, 1423=1 HB3 ARG 71 - HA ARG 27 OK 13 73 - 17 - 536/3.0=2, ~65=1, 1423=1 HB ILE 89 - HA ARG 27 poor 7 47 - 15 - ~5521=2, 4.0/409=2...(7) HB2 ARG 17 - HA ARG 27 lone 7 71 - 9 - HB2 ARG 71 - HA ARG 23 lone 6 100 - 6 - HB3 ARG 71 - HA ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HA ARG 23 lone 5 99 - 5 - HB2 ARG 17 - HA ARG 23 lone 3 99 - 3 - HB2 LYS 75 - HA ARG 23 lone 3 100 - 3 - HB2 ARG 66 - HA ARG 23 lone 2 63 - 4 - HB ILE 89 - HA ARG 23 lone 2 73 - 2 - HB3 PRO 34 - HA ARG 27 lone 2 43 - 4 - HB2 LYS 39 - HA ARG 27 lone 2 72 - 2 - HB2 ARG 66 - HA ARG 27 lone 1 40 - 4 - HB2 LYS 75 - HA ARG 27 lone 1 73 - 2 - HB2 LYS 73 - HA ARG 23 lone 1 71 - 1 - HB2 LYS 73 - HA ARG 27 lone 1 45 - 2 - HB3 PRO 34 - HA ARG 23 lone 1 68 - 1 - Peak 1264 from cnoeabs.peaks (1.67, 4.13, 58.01 ppm; 3.68 A): 2 out of 22 assignments used, quality = 0.95: * HG2 ARG 23 + HA ARG 23 OK 93 100 - 93 - 3.8=89, 1286/3.0=12...(5) HG2 ARG 23 + HA ARG 27 OK 29 74 - 39 - 1285=11, 1.8/1265=5...(12) HB3 LEU 64 - HA ARG 23 OK 11 65 - 18 - 3.0/1265=3, 2630/3.8=2...(6) HB2 ARG 82 - HA ARG 23 lone 7 73 - 9 - 5480/3.8=2, 2.9/1265=1 HD3 LYS 75 - HA ARG 23 lone 5 99 - 5 - HD2 LYS 75 - HA ARG 23 lone 5 99 - 5 - HB3 GLN 61 - HA ARG 23 lone 5 97 - 5 - 5504/3.6=2 HG3 ARG 66 - HA ARG 23 lone 5 71 - 7 - HB3 LEU 64 - HA ARG 27 poor 4 41 - 10 - ~5521=2, 3.0/1265=2 HD3 LYS 13 - HA ARG 23 lone 4 100 - 4 - HD2 LYS 13 - HA ARG 23 lone 4 100 - 4 - HG LEU 29 - HA ARG 27 lone 4 74 - 5 - ~5521=2, 4.9/5386=1 HG3 ARG 66 - HA ARG 27 lone 3 45 - 7 - HG LEU 29 - HA ARG 23 lone 3 100 - 3 - HB3 LYS 13 - HA ARG 23 lone 3 97 - 3 - HB3 GLN 61 - HA ARG 27 lone 2 68 - 3 - HD2 LYS 13 - HA ARG 27 lone 2 73 - 3 - HD3 LYS 13 - HA ARG 27 lone 2 73 - 3 - HB3 LYS 13 - HA ARG 27 lone 2 68 - 3 - HD2 LYS 75 - HA ARG 27 lone 1 73 - 2 - HD3 LYS 75 - HA ARG 27 lone 1 73 - 2 - HB2 ARG 82 - HA ARG 27 lone 1 47 - 2 - Peak 1265 from cnoeabs.peaks (1.54, 4.13, 58.01 ppm; 3.90 A): 1 out of 14 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 - 100 - 3.8=100 HG3 ARG 23 - HA ARG 27 OK 30 74 - 41 - 1.8/1285=9, 1293=6...(14) HG LEU 64 - HA ARG 23 OK 25 100 - 26 - 1289/3.8=6, 1293=4...(9) HG LEU 64 - HA ARG 27 OK 15 74 - 20 - 5321/5.0=5, ~5521=3...(5) HG2 LYS 39 - HA ARG 23 OK 12 99 - 12 - 1864/3.0=3, 1864/3.0=2...(4) HG2 ARG 82 - HA ARG 23 lone 9 95 - 9 - 1289/3.8=1, 1293=1, 2.9/1264=1 HG2 LYS 39 - HA ARG 27 lone 4 72 - 5 - HB3 ARG 54 - HA ARG 23 lone 3 99 - 3 - ~40=1 HB3 LEU 86 - HA ARG 27 lone 3 51 - 6 - 5321/5.0=2, ~5521=1 HB3 ARG 54 - HA ARG 27 lone 2 72 - 3 - HG2 ARG 82 - HA ARG 27 lone 2 66 - 3 - HG LEU 62 - HA ARG 27 lone 2 45 - 4 - 5321/5.0=2 HG LEU 62 - HA ARG 23 lone 1 71 - 2 - HB3 LEU 86 - HA ARG 23 lone 1 78 - 2 - Peak 1266 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 3.99 A): 4 out of 28 assignments used, quality = 0.99: HD3 ARG 23 + HA ARG 23 OK 76 100 - 76 - 5.2=45, 2.9/1285=20...(17) * HD2 ARG 23 + HA ARG 23 OK 76 100 - 76 - 5.2=45, 2.9/1285=20...(17) HD3 ARG 27 + HA ARG 27 OK 56 74 - 76 - 5.4=41, 3.0/1447=8...(21) HD2 ARG 27 + HA ARG 27 OK 56 74 - 76 - 5.4=41, 3.0/1447=8...(21) HD2 ARG 26 - HA ARG 27 OK 35 70 - 50 - 6.1/5345=6, ~65=3...(19) HD3 ARG 26 - HA ARG 27 OK 34 69 - 50 - 6.1/5345=6, ~65=3...(19) HD3 ARG 23 - HA ARG 27 OK 26 74 - 35 - 2.9/1285=8, 2.9/1293=4...(11) HD2 ARG 23 - HA ARG 27 OK 26 74 - 35 - 2.9/1285=8, 2.9/1293=4...(11) HD2 ARG 27 - HA ARG 23 OK 18 100 - 18 - 5300/3.6=2, 1291/3.8=2...(7) HD3 ARG 27 - HA ARG 23 OK 18 100 - 18 - 5300/3.6=2, 1291/3.8=2...(7) HD2 ARG 17 - HA ARG 27 OK 12 73 - 17 - 3.0/1439=1, 3.0/1439=1 HD3 ARG 17 - HA ARG 27 OK 12 73 - 17 - 3.0/1439=1, 3.0/1439=1 HD2 ARG 26 - HA ARG 23 lone 10 98 - 10 - 6.1/5341=1, 5300/3.6=1 HD3 ARG 26 - HA ARG 23 lone 10 97 - 10 - 6.1/5341=1, 5300/3.6=1 HD2 ARG 71 - HA ARG 27 poor 8 45 - 19 - ~65=2, ~537=1, ~64=1, ~538=1 HD2 ARG 17 - HA ARG 23 lone 7 100 - 7 - HD3 ARG 17 - HA ARG 23 lone 7 100 - 7 - HD3 ARG 66 - HA ARG 23 lone 7 78 - 9 - HD2 ARG 66 - HA ARG 23 lone 6 73 - 9 - HD3 ARG 66 - HA ARG 27 lone 5 51 - 10 - HD2 ARG 82 - HA ARG 23 lone 5 89 - 5 - 3.0/1265=1 HD2 ARG 66 - HA ARG 27 lone 5 47 - 10 - HD2 ARG 71 - HA ARG 23 lone 4 71 - 6 - HD3 ARG 84 - HA ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HA ARG 27 lone 2 61 - 3 - HD2 ARG 84 - HA ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HA ARG 27 lone 2 58 - 3 - HD2 ARG 82 - HA ARG 27 lone 1 60 - 2 - Peak 1267 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 3.99 A): 4 out of 28 assignments used, quality = 0.99: * HD3 ARG 23 + HA ARG 23 OK 76 100 - 76 - 5.2=45, 2.9/1285=20...(17) HD2 ARG 23 + HA ARG 23 OK 76 100 - 76 - 5.2=45, 2.9/1285=20...(17) HD3 ARG 27 + HA ARG 27 OK 56 74 - 76 - 5.4=41, 3.0/1447=8...(21) HD2 ARG 27 + HA ARG 27 OK 56 74 - 76 - 5.4=41, 3.0/1447=8...(21) HD2 ARG 26 - HA ARG 27 OK 35 70 - 50 - 6.1/5345=6, ~65=3...(19) HD3 ARG 26 - HA ARG 27 OK 34 69 - 50 - 6.1/5345=6, ~65=3...(19) HD3 ARG 23 - HA ARG 27 OK 26 74 - 35 - 2.9/1285=8, 2.9/1293=4...(11) HD2 ARG 23 - HA ARG 27 OK 26 74 - 35 - 2.9/1285=8, 2.9/1293=4...(11) HD2 ARG 27 - HA ARG 23 OK 18 100 - 18 - 5300/3.6=2, 1291/3.8=2...(7) HD3 ARG 27 - HA ARG 23 OK 18 100 - 18 - 5300/3.6=2, 1291/3.8=2...(7) HD2 ARG 17 - HA ARG 27 OK 12 73 - 17 - 3.0/1439=1, 3.0/1439=1 HD3 ARG 17 - HA ARG 27 OK 12 73 - 17 - 3.0/1439=1, 3.0/1439=1 HD2 ARG 26 - HA ARG 23 lone 10 98 - 10 - 6.1/5341=1, 5300/3.6=1 HD3 ARG 26 - HA ARG 23 lone 10 97 - 10 - 6.1/5341=1, 5300/3.6=1 HD2 ARG 71 - HA ARG 27 poor 8 45 - 19 - ~65=2, ~537=1, ~64=1, ~538=1 HD2 ARG 17 - HA ARG 23 lone 7 100 - 7 - HD3 ARG 17 - HA ARG 23 lone 7 100 - 7 - HD3 ARG 66 - HA ARG 23 lone 7 78 - 9 - HD2 ARG 66 - HA ARG 23 lone 6 73 - 9 - HD3 ARG 66 - HA ARG 27 lone 5 51 - 10 - HD2 ARG 82 - HA ARG 23 lone 5 89 - 5 - 3.0/1265=1 HD2 ARG 66 - HA ARG 27 lone 5 47 - 10 - HD2 ARG 71 - HA ARG 23 lone 4 71 - 6 - HD3 ARG 84 - HA ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HA ARG 27 lone 2 61 - 3 - HD2 ARG 84 - HA ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HA ARG 27 lone 2 58 - 3 - HD2 ARG 82 - HA ARG 27 lone 1 60 - 2 - Peak 1268 from cnoeabs.peaks (8.49, 1.85, 29.94 ppm; 4.72 A): 2 out of 14 assignments used, quality = 1.00: * H ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 4.0=100 H ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 4.0=100 H ARG 23 - HB2 ARG 27 OK 30 83 - 37 - 508/3.0=8, 510=5...(11) H ARG 23 - HB3 ARG 27 OK 30 82 - 37 - 508/3.0=8, 510=5...(11) H ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 510=2, 510/1.8=2...(5) H ARG 23 - HB3 ARG 71 OK 11 78 - 14 - 510=2, 510/1.8=2...(5) H ARG 23 - HB2 ARG 66 lone 4 60 - 7 - 511/2.8=1 H SER 60 - HB3 ARG 23 lone 4 94 - 4 - 1260/3.0=1, 5509/4.2=1 H SER 60 - HB2 ARG 23 lone 4 95 - 4 - 1260/3.0=1, 5509/4.2=1 H SER 60 - HB2 ARG 27 lone 2 74 - 2 - H SER 60 - HB3 ARG 27 lone 2 73 - 2 - H SER 60 - HB2 ARG 71 lone 1 70 - 2 - H SER 60 - HB3 ARG 71 lone 1 69 - 2 - H SER 60 - HB2 ARG 66 lone 1 52 - 2 - Peak 1269 from cnoeabs.peaks (4.13, 1.85, 29.94 ppm; 3.11 A): 4 out of 42 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HA ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB2 ARG 27 OK 76 76 - 100 - 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 - 100 - 3.0=100 HA ARG 27 - HB3 ARG 23 OK 25 97 - 26 - 1285/3.0=5, 43/4.2=4...(7) HA ARG 27 - HB2 ARG 23 OK 25 97 - 26 - 1285/3.0=5, 43/4.2=4...(7) HA ALA 30 - HB2 ARG 27 OK 18 78 - 24 - ~5388=6, ~4807=4...(9) HA ALA 30 - HB3 ARG 27 OK 18 78 - 24 - ~5388=6, ~4807=4...(9) HA ARG 23 - HB2 ARG 27 OK 18 83 - 22 - 3.6/45=2, 1262=2...(8) HA ARG 23 - HB3 ARG 27 OK 18 82 - 22 - 3.6/45=2, 1263=2...(8) HA ARG 27 - HB2 ARG 71 OK 15 72 - 21 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 71 OK 15 71 - 21 - 3.0/536=2, 1417=2, ~65=1...(6) HA ALA 30 - HB2 ARG 23 lone 9 98 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB3 ARG 23 lone 9 98 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 71 lone 7 74 - 9 - ~5388=1, ~5387=1, ~5537=1 HA ALA 30 - HB3 ARG 71 lone 7 73 - 9 - ~5388=1, ~5387=1...(4) HA ARG 23 - HB2 ARG 71 lone 6 79 - 8 - HA ARG 23 - HB3 ARG 71 lone 6 78 - 8 - HB THR 88 - HB2 ARG 27 lone 5 80 - 6 - ~3595=1, 534/4.1=1 HB THR 88 - HB3 ARG 27 lone 4 79 - 6 - ~3595=1, 534/4.1=1 HA ARG 23 - HB2 ARG 66 lone 3 60 - 4 - HA ASN 49 - HB2 ARG 23 lone 3 96 - 3 - HA ASN 49 - HB3 ARG 23 lone 3 96 - 3 - HB THR 88 - HB2 ARG 23 lone 3 99 - 3 - HB THR 88 - HB3 ARG 23 lone 3 99 - 3 - HA ARG 27 - HB2 ARG 66 lone 3 54 - 5 - HA ALA 30 - HB2 ARG 66 lone 2 56 - 4 - HA GLN 91 - HB2 ARG 23 lone 2 99 - 2 - HA GLN 91 - HB3 ARG 23 lone 2 99 - 2 - HA GLN 91 - HB2 ARG 27 lone 1 80 - 2 - HA GLN 91 - HB3 ARG 27 lone 1 79 - 2 - HA ASN 49 - HB2 ARG 27 lone 1 75 - 1 - HA ASN 49 - HB3 ARG 27 lone 1 74 - 1 - HB THR 88 - HB2 ARG 71 lone 1 76 - 1 - HB THR 88 - HB3 ARG 71 lone 1 75 - 1 - HA GLN 91 - HB2 ARG 71 lone 1 76 - 1 - HA GLN 91 - HB3 ARG 71 lone 1 75 - 1 - HA GLN 91 - HB2 ARG 66 lone 0 58 - 1 - HA ASN 49 - HB2 ARG 71 lone 0 71 - 0 - HA ASN 49 - HB3 ARG 71 lone 0 70 - 0 - HB THR 88 - HB2 ARG 66 lone 0 58 - 0 - HA ASN 49 - HB2 ARG 66 lone 0 53 - 0 - Peak 1270 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 81 81 - 100 HB3 ARG 27 + HB3 ARG 27 OK 79 79 - 100 HB2 ARG 71 + HB2 ARG 71 OK 77 77 - 100 HB3 ARG 71 + HB3 ARG 71 OK 75 75 - 100 HB2 ARG 66 - HB2 ARG 66 OK 29 29 - 100 Peak 1271 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 81 81 - 100 HB3 ARG 27 + HB3 ARG 27 OK 80 80 - 100 HB2 ARG 71 + HB2 ARG 71 OK 77 77 - 100 HB3 ARG 71 + HB3 ARG 71 OK 76 76 - 100 HB2 ARG 66 - HB2 ARG 66 OK 31 31 - 100 Reference assignment not found: HB3 ARG 23 - HB2 ARG 23 Peak 1272 from cnoeabs.peaks (1.67, 1.85, 29.94 ppm; 2.83 A): 2 out of 77 assignments used, quality = 0.99: * HG2 ARG 23 + HB2 ARG 23 OK 93 100 - 93 - 3.0=88, 1286/1.8=11...(10) HG2 ARG 23 + HB3 ARG 23 OK 93 100 - 93 - 3.0=88, 1286/1.8=11...(10) HG3 ARG 66 - HB2 ARG 66 OK 35 35 - 100 - 2.8=100 HG2 ARG 23 - HB2 ARG 27 OK 22 83 - 27 - 1287=4, 1285/3.0=4...(7) HG2 ARG 23 - HB3 ARG 27 OK 22 82 - 27 - 1287=4, 1285/3.0=4...(7) HB3 LEU 64 - HB2 ARG 23 OK 16 65 - 25 - 3.1/5022=2, 3.1/5028=2...(7) HB3 LEU 64 - HB3 ARG 23 OK 16 65 - 25 - 3.1/5022=2, 3.1/5028=2...(7) HG2 ARG 23 - HB2 ARG 71 poor 10 79 - 12 - 1287=2, 1287/1.8=1 HG2 ARG 23 - HB3 ARG 71 poor 10 78 - 12 - 1287=2, 1287/1.8=1 HG3 ARG 66 - HB2 ARG 71 poor 9 48 - 20 - ~5167=1, 2708/1.8=1 HG3 ARG 66 - HB3 ARG 71 poor 9 48 - 20 - ~5167=1, 2708/1.8=1 HB2 ARG 82 - HB2 ARG 23 lone 6 73 - 9 - 5480/3.0=1 HB2 ARG 82 - HB3 ARG 23 lone 6 73 - 9 - 5480/3.0=1 HG LEU 29 - HB2 ARG 71 lone 6 78 - 8 - ~5348=1 HG LEU 29 - HB3 ARG 71 lone 6 77 - 8 - ~5348=1 HB3 LEU 64 - HB2 ARG 66 poor 6 32 - 18 - 744/4.0=2, 3.1/5022=2...(8) HD3 LYS 75 - HB3 ARG 23 lone 6 99 - 5 - HD2 LYS 75 - HB3 ARG 23 lone 6 99 - 5 - HD3 LYS 75 - HB2 ARG 23 lone 6 99 - 5 - HD2 LYS 75 - HB2 ARG 23 lone 6 99 - 5 - HG3 ARG 66 - HB2 ARG 23 lone 5 71 - 6 - HG3 ARG 66 - HB3 ARG 23 lone 5 71 - 6 - HB3 LEU 64 - HB2 ARG 27 lone 5 47 - 10 - 3.1/5022=1, 3.1/5028=1 HB3 LEU 64 - HB3 ARG 27 lone 5 47 - 10 - 3.1/5022=1, 3.1/5028=1 HG LEU 29 - HB2 ARG 66 lone 4 59 - 7 - HG2 ARG 23 - HB2 ARG 66 lone 4 60 - 6 - HB3 GLN 61 - HB3 ARG 23 lone 4 97 - 4 - HB3 GLN 61 - HB2 ARG 23 lone 4 97 - 4 - HD3 LYS 13 - HB3 ARG 23 lone 3 100 - 3 - HD2 LYS 13 - HB3 ARG 23 lone 3 100 - 3 - HD2 LYS 13 - HB2 ARG 23 lone 3 100 - 3 - HD3 LYS 13 - HB2 ARG 23 lone 3 100 - 3 - HG3 ARG 66 - HB2 ARG 27 lone 3 52 - 6 - HG3 ARG 66 - HB3 ARG 27 lone 3 51 - 6 - HB3 LEU 64 - HB2 ARG 71 lone 3 44 - 6 - HD2 LYS 75 - HB2 ARG 71 lone 3 77 - 3 - HD3 LYS 75 - HB2 ARG 71 lone 3 77 - 3 - HB3 LEU 64 - HB3 ARG 71 lone 3 44 - 6 - HD2 LYS 75 - HB3 ARG 71 lone 3 76 - 3 - HD3 LYS 75 - HB3 ARG 71 lone 3 76 - 3 - HG LEU 29 - HB2 ARG 23 lone 2 100 - 2 - HG LEU 29 - HB3 ARG 23 lone 2 100 - 2 - HB3 LYS 13 - HB3 ARG 23 lone 2 97 - 2 - HB3 LYS 13 - HB2 ARG 23 lone 2 97 - 2 - HB3 GLN 61 - HB2 ARG 66 lone 2 54 - 4 - HG LEU 29 - HB2 ARG 27 lone 2 82 - 2 - HG LEU 29 - HB3 ARG 27 lone 2 81 - 2 - HD2 LYS 75 - HB2 ARG 27 lone 2 81 - 2 - HD3 LYS 75 - HB2 ARG 27 lone 2 81 - 2 - HD3 LYS 75 - HB3 ARG 27 lone 1 80 - 2 - HD2 LYS 75 - HB3 ARG 27 lone 1 80 - 2 - HB2 ARG 82 - HB2 ARG 71 lone 1 50 - 3 - HB2 ARG 82 - HB3 ARG 71 lone 1 50 - 3 - HD3 LYS 13 - HB2 ARG 27 lone 1 81 - 1 - HD2 LYS 13 - HB2 ARG 27 lone 1 81 - 1 - HD3 LYS 13 - HB3 ARG 27 lone 1 81 - 1 - HD2 LYS 13 - HB3 ARG 27 lone 1 81 - 1 - HB3 GLN 61 - HB2 ARG 27 lone 1 76 - 1 - HB3 GLN 61 - HB3 ARG 27 lone 1 76 - 1 - HB3 LYS 13 - HB2 ARG 66 lone 1 54 - 2 - HB3 LYS 13 - HB2 ARG 27 lone 1 76 - 1 - HB3 LYS 13 - HB3 ARG 27 lone 1 76 - 1 - HB2 ARG 82 - HB2 ARG 27 lone 1 54 - 1 - HB2 ARG 82 - HB3 ARG 27 lone 1 53 - 1 - HD2 LYS 13 - HB2 ARG 71 lone 1 77 - 1 - HD3 LYS 13 - HB2 ARG 71 lone 1 77 - 1 - HD3 LYS 13 - HB3 ARG 71 lone 1 76 - 1 - HD2 LYS 13 - HB3 ARG 71 lone 1 76 - 1 - HB3 LYS 13 - HB2 ARG 71 lone 1 72 - 1 - HB3 LYS 13 - HB3 ARG 71 lone 1 71 - 1 - HB2 ARG 82 - HB2 ARG 66 lone 1 37 - 2 - HD2 LYS 75 - HB2 ARG 66 lone 0 58 - 1 - HD3 LYS 75 - HB2 ARG 66 lone 0 58 - 1 - HB3 GLN 61 - HB2 ARG 71 lone 0 72 - 1 - HB3 GLN 61 - HB3 ARG 71 lone 0 71 - 1 - HD2 LYS 13 - HB2 ARG 66 lone 0 59 - 1 - HD3 LYS 13 - HB2 ARG 66 lone 0 59 - 1 - Peak 1273 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.41 A): 2 out of 49 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HG3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 64 - HB2 ARG 23 OK 43 100 - 43 - 1289/3.0=6, 2.1/5022=5...(23) HG LEU 64 - HB3 ARG 23 OK 43 100 - 43 - 1289/3.0=6, 2.1/5022=5...(23) HG3 ARG 23 - HB2 ARG 27 OK 30 83 - 37 - 1.8/1287=4, ~1285=3...(12) HG3 ARG 23 - HB3 ARG 27 OK 30 82 - 37 - 1.8/1287=4, ~1285=3...(12) HG2 LYS 39 - HB3 ARG 23 OK 22 99 - 22 - 1864=3, 1864/1.8=2...(7) HG2 LYS 39 - HB2 ARG 23 OK 22 99 - 22 - 1864=3, 1864/1.8=3...(7) HG LEU 64 - HB2 ARG 66 OK 18 60 - 30 - ~6102=4, 2.1/5022=3...(15) HG LEU 64 - HB2 ARG 27 OK 16 83 - 19 - 2.1/5022=3, 2.1/5028=2...(8) HG LEU 64 - HB3 ARG 27 OK 15 82 - 19 - 2.1/5022=3, 2.1/5028=2...(8) HG3 ARG 23 - HB2 ARG 71 OK 14 79 - 18 - 1.8/1287=2, 1294=1...(5) HG3 ARG 23 - HB3 ARG 71 OK 14 78 - 18 - 1.8/1287=2, 1294=1...(5) HG2 ARG 82 - HB2 ARG 23 OK 11 95 - 12 - 1289/3.0=2 HG2 ARG 82 - HB3 ARG 23 OK 11 94 - 12 - 1289/3.0=2 HG LEU 64 - HB2 ARG 71 poor 9 78 - 11 - 2.1/5022=1, 2.1/5028=1 HG LEU 64 - HB3 ARG 71 poor 9 78 - 11 - 2.1/5022=1, 2.1/5028=1 HG2 LYS 39 - HB2 ARG 71 lone 6 76 - 8 - 1864=1 HG2 LYS 39 - HB3 ARG 71 lone 6 75 - 8 - 1864=1 HG3 ARG 23 - HB2 ARG 66 lone 6 60 - 10 - HG2 LYS 39 - HB2 ARG 27 lone 5 80 - 6 - HG2 LYS 39 - HB3 ARG 27 lone 5 79 - 6 - HG LEU 62 - HB2 ARG 71 lone 4 48 - 9 - HG LEU 62 - HB3 ARG 71 lone 4 48 - 9 - HB3 ARG 54 - HB3 ARG 23 lone 3 99 - 3 - HB3 ARG 54 - HB2 ARG 23 lone 3 99 - 3 - HB3 LEU 86 - HB2 ARG 71 lone 3 54 - 6 - HB3 LEU 86 - HB3 ARG 71 lone 3 54 - 6 - HG2 ARG 82 - HB2 ARG 71 lone 3 70 - 4 - HG2 ARG 82 - HB3 ARG 71 lone 3 69 - 4 - HG2 LYS 39 - HB2 ARG 66 lone 3 58 - 5 - HB3 ARG 54 - HB2 ARG 71 lone 2 76 - 3 - HB3 ARG 54 - HB3 ARG 71 lone 2 75 - 3 - HG LEU 62 - HB3 ARG 23 lone 2 71 - 3 - HG LEU 62 - HB2 ARG 23 lone 2 71 - 3 - HB3 LEU 86 - HB2 ARG 23 lone 2 78 - 2 - HB3 LEU 86 - HB3 ARG 23 lone 2 78 - 2 - HB3 LEU 86 - HB2 ARG 27 lone 2 58 - 3 - HG2 ARG 82 - HB2 ARG 27 lone 2 74 - 2 - HB3 LEU 86 - HB3 ARG 27 lone 2 57 - 3 - HG2 ARG 82 - HB3 ARG 27 lone 2 73 - 2 - HG LEU 62 - HB2 ARG 66 lone 2 35 - 4 - HB3 ARG 54 - HB2 ARG 27 lone 1 80 - 2 - HB3 ARG 54 - HB3 ARG 27 lone 1 79 - 2 - HG2 ARG 82 - HB2 ARG 66 lone 1 52 - 2 - HB3 LEU 86 - HB2 ARG 66 lone 1 40 - 2 - HG LEU 62 - HB2 ARG 27 lone 1 52 - 2 - HG LEU 62 - HB3 ARG 27 lone 1 51 - 2 - HB3 ARG 54 - HB2 ARG 66 lone 1 58 - 1 - Peak 1274 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 8 out of 98 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1448=3...(23) HD3 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1448=3...(23) HD2 ARG 27 + HB3 ARG 27 OK 71 81 - 88 - 3.5=76, 3.0/1448=3...(23) HD3 ARG 27 + HB3 ARG 27 OK 71 81 - 88 - 3.5=76, 3.0/1448=3...(23) HD2 ARG 71 - HB2 ARG 71 OK 41 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD2 ARG 71 - HB3 ARG 71 OK 40 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD3 ARG 66 - HB2 ARG 66 OK 35 40 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 32 37 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 30 74 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 29 73 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 29 73 - 40 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 29 72 - 40 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB2 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 26 - HB2 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 23 - HB3 ARG 27 OK 23 82 - 28 - 2.9/1287=2, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 23 82 - 28 - 2.9/1287=2, ~1285=2...(9) HD3 ARG 26 - HB3 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 17 - HB2 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB2 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB3 ARG 71 OK 20 76 - 26 - 3.6/1164=2, ~2934=1...(5) HD2 ARG 17 - HB3 ARG 71 OK 20 76 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB2 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(6) HD3 ARG 66 - HB3 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 26 - HB2 ARG 66 OK 14 56 - 25 - ~2713=1, ~2712=1 HD2 ARG 66 - HB2 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 66 - HB3 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 13 55 - 24 - ~2713=1, ~2712=1 HD2 ARG 27 - HB2 ARG 71 OK 12 78 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 12 78 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 12 77 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 12 77 - 16 - HD2 ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 11 78 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 11 78 - 14 - 2.9/1287=1 HD3 ARG 17 - HB2 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 9 98 - 9 - HD2 ARG 26 - HB3 ARG 23 lone 9 98 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 9 97 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 9 97 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 66 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 84 - HB2 ARG 71 poor 7 65 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 7 64 - 11 - HD2 ARG 66 - HB2 ARG 23 lone 7 73 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 7 73 - 9 - HD2 ARG 84 - HB2 ARG 71 poor 7 62 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 7 61 - 11 - HD2 ARG 71 - HB2 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 7 51 - 13 - 3.0/2930=1 HD3 ARG 66 - HB2 ARG 27 lone 5 58 - 9 - HD2 ARG 71 - HB2 ARG 66 poor 5 35 - 15 - 3.0/2931=1 HD3 ARG 66 - HB3 ARG 27 lone 5 57 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 5 54 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 5 53 - 9 - HD2 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 82 - HB2 ARG 23 lone 4 89 - 5 - HD2 ARG 82 - HB3 ARG 23 lone 4 89 - 5 - HD2 ARG 27 - HB2 ARG 66 lone 4 59 - 7 - HD3 ARG 27 - HB2 ARG 66 lone 4 59 - 7 - HD2 ARG 71 - HB3 ARG 23 lone 4 71 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 4 71 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 59 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 59 - 4 - HD3 ARG 84 - HB2 ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HB3 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 2 87 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 2 69 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 68 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 2 66 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 65 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB2 ARG 27 lone 1 67 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 67 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 49 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 46 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 47 - 1 - Peak 1275 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 8 out of 98 assignments used, quality = 1.00: HD2 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) * HD3 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1448=3...(23) HD3 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1448=3...(23) HD2 ARG 27 + HB3 ARG 27 OK 71 81 - 88 - 3.5=76, 3.0/1448=3...(23) HD3 ARG 27 + HB3 ARG 27 OK 71 81 - 88 - 3.5=76, 3.0/1448=3...(23) HD2 ARG 71 - HB2 ARG 71 OK 41 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD2 ARG 71 - HB3 ARG 71 OK 40 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD3 ARG 66 - HB2 ARG 66 OK 35 40 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 32 37 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 30 74 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 29 73 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 29 73 - 40 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 29 72 - 40 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB2 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 26 - HB2 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 23 - HB3 ARG 27 OK 23 82 - 28 - 2.9/1287=2, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 23 82 - 28 - 2.9/1287=2, ~1285=2...(9) HD3 ARG 26 - HB3 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 17 - HB2 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB2 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB3 ARG 71 OK 20 76 - 26 - 3.6/1164=2, ~2934=1...(5) HD2 ARG 17 - HB3 ARG 71 OK 20 76 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB2 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(6) HD3 ARG 66 - HB3 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 26 - HB2 ARG 66 OK 14 56 - 25 - ~2713=1, ~2712=1 HD2 ARG 66 - HB2 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 66 - HB3 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 13 55 - 24 - ~2713=1, ~2712=1 HD2 ARG 27 - HB2 ARG 71 OK 12 78 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 12 78 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 12 77 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 12 77 - 16 - HD2 ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 11 78 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 11 78 - 14 - 2.9/1287=1 HD3 ARG 17 - HB2 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 9 98 - 9 - HD2 ARG 26 - HB3 ARG 23 lone 9 98 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 9 97 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 9 97 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 66 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 84 - HB2 ARG 71 poor 7 65 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 7 64 - 11 - HD2 ARG 66 - HB2 ARG 23 lone 7 73 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 7 73 - 9 - HD2 ARG 84 - HB2 ARG 71 poor 7 62 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 7 61 - 11 - HD2 ARG 71 - HB2 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 7 51 - 13 - 3.0/2930=1 HD3 ARG 66 - HB2 ARG 27 lone 5 58 - 9 - HD2 ARG 71 - HB2 ARG 66 poor 5 35 - 15 - 3.0/2931=1 HD3 ARG 66 - HB3 ARG 27 lone 5 57 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 5 54 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 5 53 - 9 - HD2 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 82 - HB2 ARG 23 lone 4 89 - 5 - HD2 ARG 82 - HB3 ARG 23 lone 4 89 - 5 - HD2 ARG 27 - HB2 ARG 66 lone 4 59 - 7 - HD3 ARG 27 - HB2 ARG 66 lone 4 59 - 7 - HD2 ARG 71 - HB3 ARG 23 lone 4 71 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 4 71 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 59 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 59 - 4 - HD3 ARG 84 - HB2 ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HB3 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 2 87 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 2 69 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 68 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 2 66 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 65 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB2 ARG 27 lone 1 67 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 67 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 49 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 46 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 47 - 1 - Peak 1276 from cnoeabs.peaks (8.49, 1.85, 29.94 ppm; 4.72 A): 2 out of 14 assignments used, quality = 1.00: * H ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 4.0=100 H ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 4.0=100 H ARG 23 - HB2 ARG 27 OK 30 83 - 37 - 508/3.0=8, 510=5...(11) H ARG 23 - HB3 ARG 27 OK 30 83 - 37 - 508/3.0=8, 510=5...(11) H ARG 23 - HB2 ARG 71 OK 11 79 - 14 - 510=2, 510/1.8=2...(5) H ARG 23 - HB3 ARG 71 OK 11 79 - 14 - 510=2, 510/1.8=2...(5) H ARG 23 - HB2 ARG 66 lone 4 63 - 7 - 511/2.8=1 H SER 60 - HB3 ARG 23 lone 4 95 - 4 - 1260/3.0=1, 5509/4.2=1 H SER 60 - HB2 ARG 23 lone 4 94 - 4 - 1260/3.0=1, 5509/4.2=1 H SER 60 - HB2 ARG 27 lone 2 74 - 2 - H SER 60 - HB3 ARG 27 lone 2 74 - 2 - H SER 60 - HB2 ARG 71 lone 1 70 - 2 - H SER 60 - HB3 ARG 71 lone 1 70 - 2 - H SER 60 - HB2 ARG 66 lone 1 55 - 2 - Peak 1277 from cnoeabs.peaks (4.13, 1.85, 29.94 ppm; 3.11 A): 4 out of 42 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HA ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB2 ARG 27 OK 77 77 - 100 - 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 - 100 - 3.0=100 HA ARG 27 - HB3 ARG 23 OK 25 97 - 26 - 1285/3.0=5, 43/4.2=4...(7) HA ARG 27 - HB2 ARG 23 OK 25 97 - 26 - 1285/3.0=5, 43/4.2=4...(7) HA ALA 30 - HB2 ARG 27 OK 19 79 - 24 - ~5388=6, ~4807=4...(9) HA ALA 30 - HB3 ARG 27 OK 19 78 - 24 - ~5388=6, ~4807=4...(9) HA ARG 23 - HB2 ARG 27 OK 18 83 - 22 - 3.6/45=2, 1262=2...(8) HA ARG 23 - HB3 ARG 27 OK 18 83 - 22 - 3.6/45=2, 1263=2...(8) HA ARG 27 - HB2 ARG 71 OK 15 73 - 21 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 71 OK 15 72 - 21 - 3.0/536=2, 1417=2, ~65=1...(6) HA ALA 30 - HB3 ARG 23 lone 9 98 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 23 lone 9 98 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 71 lone 7 75 - 9 - ~5388=1, ~5387=1...(4) HA ALA 30 - HB3 ARG 71 lone 7 74 - 9 - ~5388=1, ~5387=1...(4) HA ARG 23 - HB2 ARG 71 lone 6 79 - 8 - HA ARG 23 - HB3 ARG 71 lone 6 79 - 8 - HB THR 88 - HB2 ARG 27 lone 5 81 - 6 - ~3595=1, 534/4.1=1 HB THR 88 - HB3 ARG 27 lone 4 80 - 6 - ~3595=1, 534/4.1=1 HA ARG 23 - HB2 ARG 66 lone 3 63 - 4 - HA ARG 27 - HB2 ARG 66 lone 3 57 - 5 - HA ALA 30 - HB2 ARG 66 lone 3 59 - 4 - HA ASN 49 - HB3 ARG 23 lone 3 96 - 3 - HA ASN 49 - HB2 ARG 23 lone 3 96 - 3 - HB THR 88 - HB2 ARG 23 lone 3 99 - 3 - HB THR 88 - HB3 ARG 23 lone 3 99 - 3 - HA GLN 91 - HB3 ARG 23 lone 2 99 - 2 - HA GLN 91 - HB2 ARG 23 lone 2 99 - 2 - HA GLN 91 - HB2 ARG 27 lone 1 81 - 2 - HA GLN 91 - HB3 ARG 27 lone 1 80 - 2 - HA ASN 49 - HB2 ARG 27 lone 1 76 - 1 - HA ASN 49 - HB3 ARG 27 lone 1 75 - 1 - HB THR 88 - HB2 ARG 71 lone 1 76 - 1 - HB THR 88 - HB3 ARG 71 lone 1 76 - 1 - HA GLN 91 - HB2 ARG 71 lone 1 76 - 1 - HA GLN 91 - HB3 ARG 71 lone 1 76 - 1 - HA GLN 91 - HB2 ARG 66 lone 0 60 - 1 - HA ASN 49 - HB2 ARG 71 lone 0 71 - 0 - HA ASN 49 - HB3 ARG 71 lone 0 71 - 0 - HB THR 88 - HB2 ARG 66 lone 0 60 - 0 - HA ASN 49 - HB2 ARG 66 lone 0 56 - 0 - Peak 1278 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 81 81 - 100 HB3 ARG 27 + HB3 ARG 27 OK 80 80 - 100 HB2 ARG 71 + HB2 ARG 71 OK 77 77 - 100 HB3 ARG 71 + HB3 ARG 71 OK 76 76 - 100 HB2 ARG 66 - HB2 ARG 66 OK 31 31 - 100 Reference assignment not found: HB2 ARG 23 - HB3 ARG 23 Peak 1279 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 82 82 - 100 HB3 ARG 27 + HB3 ARG 27 OK 81 81 - 100 HB2 ARG 71 + HB2 ARG 71 OK 78 78 - 100 HB3 ARG 71 + HB3 ARG 71 OK 77 77 - 100 HB2 ARG 66 - HB2 ARG 66 OK 32 32 - 100 Peak 1280 from cnoeabs.peaks (1.67, 1.85, 29.94 ppm; 2.83 A): 2 out of 77 assignments used, quality = 0.99: * HG2 ARG 23 + HB3 ARG 23 OK 93 100 - 93 - 3.0=88, 1286/1.8=11...(10) HG2 ARG 23 + HB2 ARG 23 OK 93 100 - 93 - 3.0=88, 1286/1.8=11...(10) HG3 ARG 66 - HB2 ARG 66 OK 37 37 - 100 - 2.8=100 HG2 ARG 23 - HB2 ARG 27 OK 22 83 - 27 - 1287=4, 1285/3.0=4...(7) HG2 ARG 23 - HB3 ARG 27 OK 22 83 - 27 - 1287=4, 1285/3.0=4...(7) HB3 LEU 64 - HB3 ARG 23 OK 16 65 - 25 - 3.1/5022=2, 3.1/5028=2...(7) HB3 LEU 64 - HB2 ARG 23 OK 16 65 - 25 - 3.1/5022=2, 3.1/5028=2...(7) HG2 ARG 23 - HB2 ARG 71 poor 10 79 - 12 - 1287=2, 1287/1.8=1 HG2 ARG 23 - HB3 ARG 71 poor 10 79 - 12 - 1287=2, 1287/1.8=1 HG3 ARG 66 - HB2 ARG 71 poor 10 49 - 20 - ~5167=1, 2708/1.8=1 HG3 ARG 66 - HB3 ARG 71 poor 9 48 - 20 - ~5167=1, 2708/1.8=1 HB2 ARG 82 - HB2 ARG 23 lone 6 73 - 9 - 5480/3.0=1 HB2 ARG 82 - HB3 ARG 23 lone 6 73 - 9 - 5480/3.0=1 HG LEU 29 - HB2 ARG 71 lone 6 78 - 8 - ~5348=1 HG LEU 29 - HB3 ARG 71 lone 6 78 - 8 - ~5348=1 HB3 LEU 64 - HB2 ARG 66 poor 6 34 - 18 - 744/4.0=2, 3.1/5022=2...(8) HD3 LYS 75 - HB3 ARG 23 lone 6 99 - 5 - HD2 LYS 75 - HB3 ARG 23 lone 6 99 - 5 - HD3 LYS 75 - HB2 ARG 23 lone 6 99 - 5 - HD2 LYS 75 - HB2 ARG 23 lone 6 99 - 5 - HG3 ARG 66 - HB2 ARG 23 lone 5 71 - 6 - HG3 ARG 66 - HB3 ARG 23 lone 5 71 - 6 - HB3 LEU 64 - HB2 ARG 27 lone 5 48 - 10 - 3.1/5022=1, 3.1/5028=1 HB3 LEU 64 - HB3 ARG 27 lone 5 47 - 10 - 3.1/5022=1, 3.1/5028=1 HG LEU 29 - HB2 ARG 66 lone 4 62 - 7 - HG2 ARG 23 - HB2 ARG 66 lone 4 63 - 6 - HB3 GLN 61 - HB3 ARG 23 lone 4 97 - 4 - HB3 GLN 61 - HB2 ARG 23 lone 4 97 - 4 - HD3 LYS 13 - HB3 ARG 23 lone 3 100 - 3 - HD2 LYS 13 - HB3 ARG 23 lone 3 100 - 3 - HD2 LYS 13 - HB2 ARG 23 lone 3 100 - 3 - HD3 LYS 13 - HB2 ARG 23 lone 3 100 - 3 - HG3 ARG 66 - HB2 ARG 27 lone 3 52 - 6 - HG3 ARG 66 - HB3 ARG 27 lone 3 52 - 6 - HB3 LEU 64 - HB2 ARG 71 lone 3 45 - 6 - HB3 LEU 64 - HB3 ARG 71 lone 3 44 - 6 - HD2 LYS 75 - HB2 ARG 71 lone 3 77 - 3 - HD3 LYS 75 - HB2 ARG 71 lone 3 77 - 3 - HD3 LYS 75 - HB3 ARG 71 lone 3 77 - 3 - HD2 LYS 75 - HB3 ARG 71 lone 3 77 - 3 - HG LEU 29 - HB2 ARG 23 lone 2 100 - 2 - HG LEU 29 - HB3 ARG 23 lone 2 100 - 2 - HB3 LYS 13 - HB3 ARG 23 lone 2 97 - 2 - HB3 LYS 13 - HB2 ARG 23 lone 2 97 - 2 - HB3 GLN 61 - HB2 ARG 66 lone 2 57 - 4 - HG LEU 29 - HB2 ARG 27 lone 2 82 - 2 - HG LEU 29 - HB3 ARG 27 lone 2 82 - 2 - HD3 LYS 75 - HB2 ARG 27 lone 2 81 - 2 - HD2 LYS 75 - HB2 ARG 27 lone 2 81 - 2 - HD3 LYS 75 - HB3 ARG 27 lone 1 81 - 2 - HD2 LYS 75 - HB3 ARG 27 lone 1 81 - 2 - HB2 ARG 82 - HB2 ARG 71 lone 1 51 - 3 - HB2 ARG 82 - HB3 ARG 71 lone 1 50 - 3 - HD3 LYS 13 - HB2 ARG 27 lone 1 82 - 1 - HD2 LYS 13 - HB2 ARG 27 lone 1 82 - 1 - HB3 LYS 13 - HB2 ARG 66 lone 1 57 - 2 - HD3 LYS 13 - HB3 ARG 27 lone 1 81 - 1 - HD2 LYS 13 - HB3 ARG 27 lone 1 81 - 1 - HB3 GLN 61 - HB2 ARG 27 lone 1 77 - 1 - HB3 GLN 61 - HB3 ARG 27 lone 1 76 - 1 - HB3 LYS 13 - HB2 ARG 27 lone 1 77 - 1 - HB3 LYS 13 - HB3 ARG 27 lone 1 76 - 1 - HB2 ARG 82 - HB2 ARG 27 lone 1 54 - 1 - HB2 ARG 82 - HB3 ARG 27 lone 1 54 - 1 - HD2 LYS 13 - HB2 ARG 71 lone 1 78 - 1 - HD3 LYS 13 - HB2 ARG 71 lone 1 78 - 1 - HD3 LYS 13 - HB3 ARG 71 lone 1 77 - 1 - HD2 LYS 13 - HB3 ARG 71 lone 1 77 - 1 - HB3 LYS 13 - HB2 ARG 71 lone 1 73 - 1 - HB3 LYS 13 - HB3 ARG 71 lone 1 72 - 1 - HB2 ARG 82 - HB2 ARG 66 lone 1 39 - 2 - HD2 LYS 75 - HB2 ARG 66 lone 0 61 - 1 - HD3 LYS 75 - HB2 ARG 66 lone 0 61 - 1 - HB3 GLN 61 - HB3 ARG 71 lone 0 72 - 1 - HB3 GLN 61 - HB2 ARG 71 lone 0 73 - 1 - HD2 LYS 13 - HB2 ARG 66 lone 0 62 - 1 - HD3 LYS 13 - HB2 ARG 66 lone 0 62 - 1 - Peak 1281 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.41 A): 2 out of 49 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HG3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 64 - HB2 ARG 23 OK 43 100 - 43 - 1289/3.0=6, 2.1/5022=5...(23) HG LEU 64 - HB3 ARG 23 OK 43 100 - 43 - 1289/3.0=6, 2.1/5022=5...(23) HG3 ARG 23 - HB2 ARG 27 OK 30 83 - 37 - 1.8/1287=4, ~1285=3...(12) HG3 ARG 23 - HB3 ARG 27 OK 30 83 - 37 - 1.8/1287=4, ~1285=3...(12) HG2 LYS 39 - HB3 ARG 23 OK 22 99 - 22 - 1864=3, 1864/1.8=2...(7) HG2 LYS 39 - HB2 ARG 23 OK 22 99 - 22 - 1864=3, 1864/1.8=3...(7) HG LEU 64 - HB2 ARG 66 OK 19 63 - 30 - ~6102=4, 2.1/5022=3...(15) HG LEU 64 - HB2 ARG 27 OK 16 83 - 19 - 2.1/5022=3, 2.1/5028=2...(8) HG LEU 64 - HB3 ARG 27 OK 16 83 - 19 - 2.1/5022=3, 2.1/5028=3...(8) HG3 ARG 23 - HB2 ARG 71 OK 14 79 - 18 - 1.8/1287=2, 1294=1...(5) HG3 ARG 23 - HB3 ARG 71 OK 14 79 - 18 - 1.8/1287=2, 1294=1...(5) HG2 ARG 82 - HB2 ARG 23 OK 11 94 - 12 - 1289/3.0=2 HG2 ARG 82 - HB3 ARG 23 OK 11 95 - 12 - 1289/3.0=2 HG LEU 64 - HB2 ARG 71 poor 9 79 - 12 - 2.1/5022=1, 2.1/5028=1 HG LEU 64 - HB3 ARG 71 poor 9 78 - 11 - 2.1/5022=1, 2.1/5028=1 HG2 LYS 39 - HB2 ARG 71 lone 6 76 - 8 - 1864=1 HG2 LYS 39 - HB3 ARG 71 lone 6 76 - 8 - 1864=1 HG3 ARG 23 - HB2 ARG 66 lone 6 63 - 10 - HG2 LYS 39 - HB2 ARG 27 lone 5 81 - 6 - HG2 LYS 39 - HB3 ARG 27 lone 5 80 - 6 - HG LEU 62 - HB2 ARG 71 lone 4 49 - 9 - HG LEU 62 - HB3 ARG 71 lone 4 48 - 9 - HB3 ARG 54 - HB3 ARG 23 lone 3 99 - 3 - HB3 ARG 54 - HB2 ARG 23 lone 3 99 - 3 - HB3 LEU 86 - HB2 ARG 71 lone 3 55 - 6 - HB3 LEU 86 - HB3 ARG 71 lone 3 54 - 6 - HG2 LYS 39 - HB2 ARG 66 lone 3 60 - 5 - HG2 ARG 82 - HB2 ARG 71 lone 3 70 - 4 - HG2 ARG 82 - HB3 ARG 71 lone 3 70 - 4 - HB3 ARG 54 - HB2 ARG 71 lone 2 76 - 3 - HB3 ARG 54 - HB3 ARG 71 lone 2 76 - 3 - HG LEU 62 - HB3 ARG 23 lone 2 71 - 3 - HG LEU 62 - HB2 ARG 23 lone 2 71 - 3 - HB3 LEU 86 - HB3 ARG 23 lone 2 78 - 2 - HB3 LEU 86 - HB2 ARG 23 lone 2 78 - 2 - HB3 LEU 86 - HB2 ARG 27 lone 2 58 - 3 - HG2 ARG 82 - HB2 ARG 27 lone 2 74 - 2 - HB3 LEU 86 - HB3 ARG 27 lone 2 58 - 3 - HG2 ARG 82 - HB3 ARG 27 lone 2 74 - 2 - HG LEU 62 - HB2 ARG 66 lone 2 37 - 4 - HB3 ARG 54 - HB2 ARG 27 lone 1 81 - 2 - HB3 ARG 54 - HB3 ARG 27 lone 1 80 - 2 - HG2 ARG 82 - HB2 ARG 66 lone 1 55 - 2 - HB3 LEU 86 - HB2 ARG 66 lone 1 42 - 3 - HG LEU 62 - HB2 ARG 27 lone 1 52 - 2 - HG LEU 62 - HB3 ARG 27 lone 1 52 - 2 - HB3 ARG 54 - HB2 ARG 66 lone 1 60 - 1 - Peak 1282 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 8 out of 98 assignments used, quality = 1.00: HD2 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) * HD2 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD3 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD2 ARG 27 + HB3 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD3 ARG 27 + HB3 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD2 ARG 71 - HB2 ARG 71 OK 41 49 - 84 - 3.5=77, 1.8/2946=3...(21) HD2 ARG 71 - HB3 ARG 71 OK 41 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD3 ARG 66 - HB2 ARG 66 OK 37 42 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 34 39 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 30 75 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 30 74 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 30 74 - 40 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 29 73 - 40 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB2 ARG 27 OK 24 79 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 26 - HB2 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 23 - HB3 ARG 27 OK 23 83 - 28 - 2.9/1287=2, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 23 83 - 28 - 2.9/1287=2, ~1285=2...(9) HD3 ARG 26 - HB3 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 17 - HB2 ARG 71 OK 20 78 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB2 ARG 71 OK 20 78 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB3 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD2 ARG 17 - HB3 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB2 ARG 71 OK 15 55 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 26 - HB2 ARG 66 OK 14 59 - 25 - ~2713=1, ~2712=1 HD3 ARG 66 - HB3 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 14 58 - 24 - ~2713=1, ~2712=1 HD2 ARG 66 - HB2 ARG 71 OK 14 51 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 66 - HB3 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 27 - HB2 ARG 71 OK 13 78 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 13 78 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 12 78 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 12 78 - 16 - HD2 ARG 23 - HB2 ARG 71 OK 12 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 12 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 17 - HB2 ARG 27 OK 11 82 - 14 - HD2 ARG 17 - HB2 ARG 27 OK 11 82 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD2 ARG 26 - HB3 ARG 23 lone 9 98 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 9 98 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 9 97 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 9 97 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 66 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 84 - HB2 ARG 71 poor 7 66 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 7 65 - 11 - HD2 ARG 66 - HB2 ARG 23 lone 7 73 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 7 73 - 9 - HD2 ARG 84 - HB2 ARG 71 poor 7 62 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 7 62 - 11 - HD2 ARG 71 - HB2 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB2 ARG 66 poor 5 37 - 15 - 3.0/2931=1 HD3 ARG 66 - HB2 ARG 27 lone 5 58 - 9 - HD3 ARG 66 - HB3 ARG 27 lone 5 58 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 5 54 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 5 54 - 9 - HD2 ARG 23 - HB2 ARG 66 lone 5 63 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 63 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 4 62 - 7 - HD3 ARG 27 - HB2 ARG 66 lone 4 62 - 7 - HD2 ARG 82 - HB2 ARG 23 lone 4 89 - 5 - HD2 ARG 82 - HB3 ARG 23 lone 4 89 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 4 71 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 4 71 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 62 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 62 - 4 - HD3 ARG 84 - HB3 ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 2 87 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 2 70 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 69 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 2 66 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 66 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 64 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB2 ARG 27 lone 1 68 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 67 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 51 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 48 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 50 - 1 - Peak 1283 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.23 A): 8 out of 98 assignments used, quality = 1.00: HD2 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) * HD3 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 23 + HB3 ARG 23 OK 89 100 - 89 - 3.5=77, 2.9/1286=10...(23) HD2 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD3 ARG 27 + HB2 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD2 ARG 27 + HB3 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD3 ARG 27 + HB3 ARG 27 OK 72 82 - 88 - 3.5=76, 3.0/1449=3...(23) HD2 ARG 71 - HB2 ARG 71 OK 41 49 - 84 - 3.5=77, 1.8/2946=3...(21) HD2 ARG 71 - HB3 ARG 71 OK 41 48 - 84 - 3.5=77, 1.8/2946=3...(21) HD3 ARG 66 - HB2 ARG 66 OK 37 42 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 34 39 - 88 - 3.4=82, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 30 75 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 30 74 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 30 74 - 40 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 29 73 - 40 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB2 ARG 27 OK 24 79 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 23 83 - 28 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 26 - HB2 ARG 27 OK 23 78 - 30 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 23 - HB3 ARG 27 OK 23 83 - 28 - 2.9/1287=2, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 23 83 - 28 - 2.9/1287=2, ~1285=2...(9) HD3 ARG 26 - HB3 ARG 27 OK 23 77 - 30 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 17 - HB2 ARG 71 OK 20 78 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB2 ARG 71 OK 20 78 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 17 - HB3 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD2 ARG 17 - HB3 ARG 71 OK 20 77 - 26 - 3.6/1164=2, ~2934=1...(5) HD3 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 16 100 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB2 ARG 71 OK 15 55 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 26 - HB2 ARG 66 OK 14 59 - 25 - ~2713=1, ~2712=1 HD3 ARG 66 - HB3 ARG 71 OK 14 54 - 27 - ~5167=2, ~5165=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 14 58 - 24 - ~2713=1, ~2712=1 HD2 ARG 66 - HB2 ARG 71 OK 14 51 - 27 - ~5167=2, ~5165=1...(6) HD2 ARG 66 - HB3 ARG 71 OK 13 50 - 27 - ~5167=2, ~5165=1...(5) HD2 ARG 27 - HB2 ARG 71 OK 13 78 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 13 78 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 12 78 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 12 78 - 16 - HD2 ARG 23 - HB2 ARG 71 OK 12 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 12 79 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 11 79 - 14 - 2.9/1287=1 HD3 ARG 17 - HB2 ARG 27 OK 11 82 - 14 - HD2 ARG 17 - HB2 ARG 27 OK 11 82 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 11 81 - 14 - HD2 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 9 100 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 9 100 - 9 - HD2 ARG 26 - HB3 ARG 23 lone 9 98 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 9 98 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 9 97 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 9 97 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 66 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 84 - HB2 ARG 71 poor 7 66 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 7 65 - 11 - HD2 ARG 66 - HB2 ARG 23 lone 7 73 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 7 73 - 9 - HD2 ARG 84 - HB2 ARG 71 poor 7 62 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 7 62 - 11 - HD2 ARG 71 - HB2 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 7 52 - 13 - 3.0/2930=1 HD2 ARG 71 - HB2 ARG 66 poor 5 37 - 15 - 3.0/2931=1 HD3 ARG 66 - HB2 ARG 27 lone 5 58 - 9 - HD3 ARG 66 - HB3 ARG 27 lone 5 58 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 5 54 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 5 54 - 9 - HD2 ARG 23 - HB2 ARG 66 lone 5 63 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 63 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 4 62 - 7 - HD3 ARG 27 - HB2 ARG 66 lone 4 62 - 7 - HD2 ARG 82 - HB2 ARG 23 lone 4 89 - 5 - HD2 ARG 82 - HB3 ARG 23 lone 4 89 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 4 71 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 4 71 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 62 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 62 - 4 - HD3 ARG 84 - HB3 ARG 23 lone 2 90 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 2 87 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 2 87 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 2 70 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 69 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 2 66 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 66 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 64 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 63 - 2 - HD2 ARG 82 - HB2 ARG 27 lone 1 68 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 67 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 51 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 48 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 50 - 1 - Peak 1285 from cnoeabs.peaks (4.13, 1.67, 27.31 ppm; 3.81 A): 1 out of 6 assignments used, quality = 0.99: * HA ARG 23 + HG2 ARG 23 OK 99 100 - 99 - 3.8=99 HA ARG 27 - HG2 ARG 23 OK 37 97 - 39 - 1264=7, 43/4.9=5...(12) HA ALA 30 - HG2 ARG 23 lone 10 98 - 10 - 4842=2, 3.0/83=1...(4) HA ASN 49 - HG2 ARG 23 lone 3 96 - 3 - HB THR 88 - HG2 ARG 23 lone 3 99 - 2 - HA GLN 91 - HG2 ARG 23 lone 2 99 - 2 - Peak 1286 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 2.81 A): 2 out of 13 assignments used, quality = 0.99: * HB2 ARG 23 + HG2 ARG 23 OK 91 100 - 91 - 3.0=86, 3.0/1285=10...(9) HB3 ARG 23 + HG2 ARG 23 OK 91 100 - 91 - 3.0=86, 3.0/1285=10...(9) HB2 ARG 27 - HG2 ARG 23 OK 24 99 - 24 - 3.0/1285=4, 1272=2...(7) HB3 ARG 27 - HG2 ARG 23 OK 24 99 - 24 - 3.0/1285=4, 1272=2...(7) HB2 ARG 71 - HG2 ARG 23 OK 11 99 - 11 - HB3 ARG 71 - HG2 ARG 23 OK 11 99 - 11 - HB2 LYS 39 - HG2 ARG 23 lone 8 99 - 9 - 2.9/1289=1 HB2 ARG 17 - HG2 ARG 23 lone 6 99 - 6 - HB2 ARG 66 - HG2 ARG 23 lone 4 60 - 6 - HB2 LYS 75 - HG2 ARG 23 lone 3 100 - 3 - HB ILE 89 - HG2 ARG 23 lone 1 76 - 2 - HB2 LYS 73 - HG2 ARG 23 lone 1 73 - 1 - HB3 PRO 34 - HG2 ARG 23 lone 1 65 - 1 - Peak 1287 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 2.81 A): 2 out of 13 assignments used, quality = 0.99: HB2 ARG 23 + HG2 ARG 23 OK 91 100 - 91 - 3.0=86, 3.0/1285=10...(9) * HB3 ARG 23 + HG2 ARG 23 OK 91 100 - 91 - 3.0=86, 3.0/1285=10...(9) HB2 ARG 27 - HG2 ARG 23 OK 24 100 - 24 - 3.0/1285=4, 1272=2...(7) HB3 ARG 27 - HG2 ARG 23 OK 24 99 - 24 - 3.0/1285=4, 1272=2...(7) HB2 ARG 71 - HG2 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HG2 ARG 23 OK 11 99 - 11 - HB2 LYS 39 - HG2 ARG 23 lone 8 99 - 9 - 2.9/1289=1 HB2 ARG 17 - HG2 ARG 23 lone 6 99 - 6 - HB2 ARG 66 - HG2 ARG 23 lone 4 63 - 6 - HB2 LYS 75 - HG2 ARG 23 lone 3 100 - 3 - HB ILE 89 - HG2 ARG 23 lone 1 73 - 2 - HB2 LYS 73 - HG2 ARG 23 lone 1 71 - 1 - HB3 PRO 34 - HG2 ARG 23 lone 1 68 - 1 - Peak 1288 from cnoeabs.peaks (1.67, 1.67, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 Peak 1289 from cnoeabs.peaks (1.54, 1.67, 27.31 ppm; 2.60 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 1.8=100 HG LEU 64 - HG2 ARG 23 OK 25 100 - 25 - 1296=3, ~2651=2, ~2644=2...(12) HG2 LYS 39 - HG2 ARG 23 lone 8 99 - 8 - 1864/3.0=1, 1864/3.0=1 HG2 ARG 82 - HG2 ARG 23 lone 7 95 - 7 - HG LEU 62 - HG2 ARG 23 lone 2 71 - 2 - HB3 ARG 54 - HG2 ARG 23 lone 2 99 - 1 - HB3 LEU 86 - HG2 ARG 23 lone 1 78 - 2 - Peak 1290 from cnoeabs.peaks (3.17, 1.67, 27.31 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: * HD2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 2.9=100 HD3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 2.9=100 HD3 ARG 27 - HG2 ARG 23 OK 17 100 - 17 - 5.4/1285=2, 3.5/1287=2...(6) HD2 ARG 27 - HG2 ARG 23 OK 17 100 - 17 - 5.4/1285=2, 3.5/1287=2...(6) HD2 ARG 26 - HG2 ARG 23 lone 8 98 - 8 - HD3 ARG 26 - HG2 ARG 23 lone 8 97 - 8 - HD3 ARG 66 - HG2 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HG2 ARG 23 lone 7 100 - 7 - HD3 ARG 17 - HG2 ARG 23 lone 7 100 - 7 - HD2 ARG 66 - HG2 ARG 23 lone 7 73 - 9 - HD2 ARG 71 - HG2 ARG 23 lone 5 71 - 7 - HD2 ARG 82 - HG2 ARG 23 lone 4 89 - 5 - 3.0/1289=1 HD3 ARG 84 - HG2 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HG2 ARG 23 lone 2 87 - 2 - Peak 1291 from cnoeabs.peaks (3.17, 1.67, 27.31 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: HD2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 2.9=100 * HD3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 2.9=100 HD3 ARG 27 - HG2 ARG 23 OK 17 100 - 17 - 5.4/1285=2, 3.5/1287=2...(6) HD2 ARG 27 - HG2 ARG 23 OK 17 100 - 17 - 5.4/1285=2, 3.5/1287=2...(6) HD2 ARG 26 - HG2 ARG 23 lone 8 98 - 8 - HD3 ARG 26 - HG2 ARG 23 lone 8 97 - 8 - HD3 ARG 66 - HG2 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HG2 ARG 23 lone 7 100 - 7 - HD3 ARG 17 - HG2 ARG 23 lone 7 100 - 7 - HD2 ARG 66 - HG2 ARG 23 lone 7 73 - 9 - HD2 ARG 71 - HG2 ARG 23 lone 5 71 - 7 - HD2 ARG 82 - HG2 ARG 23 lone 4 89 - 5 - 3.0/1289=1 HD3 ARG 84 - HG2 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HG2 ARG 23 lone 2 87 - 2 - Peak 1293 from cnoeabs.peaks (4.13, 1.54, 27.31 ppm; 4.19 A): 1 out of 24 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.8=100 HA ARG 27 - HG3 ARG 23 OK 44 97 - 46 - 1285/1.8=10, 1265=7...(18) HA ARG 23 - HG LEU 64 OK 26 88 - 30 - 3.8/1289=6, 1265=6...(12) HA ALA 30 - HG LEU 64 OK 20 84 - 24 - 4188/2.1=4, ~85=4...(9) HA ARG 27 - HG LEU 64 OK 19 81 - 24 - 5.0/5321=6, ~5521=4...(6) HA ALA 30 - HG LEU 62 OK 10 41 - 26 - ~84=4, ~4843=3, ~3907=3...(12) HA ALA 30 - HG3 ARG 23 OK 10 98 - 10 - 1285/1.8=3, 508/4.9=1, ~83=1 HA ARG 23 - HG2 ARG 82 poor 9 85 - 11 - 1265=2, 3.8/1289=2, 1264/2.9=1 HA ASN 49 - HG LEU 64 lone 6 80 - 7 - 4494/4.8=4 HA ASN 49 - HG3 ARG 23 lone 4 96 - 5 - 43/4.9=1 HB THR 88 - HG3 ARG 23 lone 3 99 - 3 - HA ARG 27 - HG2 ARG 82 lone 3 78 - 4 - HA GLN 91 - HG3 ARG 23 lone 3 99 - 3 - HA ALA 30 - HG2 ARG 82 lone 2 81 - 3 - HB THR 88 - HG LEU 64 lone 2 85 - 2 - HA ARG 27 - HG LEU 62 lone 2 39 - 5 - 5.0/5321=2 HA ASN 49 - HG2 ARG 82 lone 1 77 - 2 - HA GLN 91 - HG2 ARG 82 lone 1 82 - 1 - HA ASN 49 - HG LEU 62 lone 1 38 - 3 - HA ARG 23 - HG LEU 62 lone 1 44 - 2 - HA GLN 91 - HG LEU 64 lone 1 85 - 1 - HB THR 88 - HG2 ARG 82 lone 1 82 - 1 - HA GLN 91 - HG LEU 62 lone 1 42 - 1 - HB THR 88 - HG LEU 62 lone 1 42 - 1 - Peak 1294 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 2 out of 52 assignments used, quality = 1.00: * HB2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 - HG LEU 64 OK 34 85 - 41 - 5111/2.1=4, 5022/2.1=4...(22) HB2 ARG 23 - HG LEU 64 OK 33 88 - 38 - 3.0/1289=5, 5022/2.1=4...(18) HB3 ARG 23 - HG LEU 64 OK 33 88 - 38 - 3.0/1289=5, 5022/2.1=4...(18) HB2 ARG 27 - HG3 ARG 23 OK 31 99 - 32 - 1287/1.8=3, ~1285=3...(9) HB3 ARG 27 - HG3 ARG 23 OK 31 99 - 32 - 1287/1.8=3, ~1285=3...(9) HB2 LYS 39 - HG3 ARG 23 OK 15 99 - 15 - 2.9/1876=2, 3.0/1836=1...(4) HB2 ARG 71 - HG3 ARG 23 OK 15 99 - 15 - 1287/1.8=2 HB3 ARG 71 - HG3 ARG 23 OK 15 99 - 15 - 1287/1.8=2 HB2 ARG 27 - HG LEU 64 OK 14 86 - 16 - 5022/2.1=2, 5028/2.1=2...(7) HB3 ARG 27 - HG LEU 64 OK 14 85 - 16 - 5022/2.1=2, 5028/2.1=2...(7) HB2 ARG 66 - HG LEU 64 OK 12 47 - 25 - ~6102=3, 5022/2.1=3...(11) HB2 ARG 17 - HG LEU 64 OK 11 85 - 13 - 5022/2.1=2, 5028/2.1=1 HB2 ARG 17 - HG3 ARG 23 lone 9 99 - 9 - HB2 ARG 23 - HG2 ARG 82 lone 8 85 - 10 - 3.0/1289=1 HB3 ARG 23 - HG2 ARG 82 lone 8 85 - 10 - 3.0/1289=1 HB2 ARG 71 - HG LEU 64 lone 8 86 - 10 - 5022/2.1=1 HB3 ARG 71 - HG LEU 64 lone 8 85 - 10 - 5022/2.1=1 HB2 LYS 75 - HG LEU 64 lone 7 87 - 8 - 5022/2.1=1 HB2 LYS 75 - HG3 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HG LEU 62 poor 6 41 - 13 - 2.9/1876=1, 1846=1 HB ILE 89 - HG LEU 64 lone 5 60 - 9 - 3607/2.1=1 HB2 ARG 66 - HG3 ARG 23 lone 5 60 - 8 - HB2 LYS 39 - HG2 ARG 82 lone 5 81 - 6 - HB2 ARG 71 - HG LEU 62 lone 3 42 - 8 - HB3 ARG 71 - HG LEU 62 lone 3 42 - 8 - HB2 LYS 73 - HG2 ARG 82 lone 3 56 - 6 - HB3 PRO 34 - HG2 ARG 82 lone 3 49 - 5 - HB2 ARG 71 - HG2 ARG 82 lone 3 83 - 3 - HB3 ARG 71 - HG2 ARG 82 lone 3 82 - 3 - HB2 ARG 17 - HG2 ARG 82 lone 2 82 - 2 - HB ILE 89 - HG3 ARG 23 lone 2 76 - 2 - HB2 LYS 73 - HG LEU 62 lone 2 26 - 7 - HB2 ARG 27 - HG2 ARG 82 lone 2 83 - 2 - HB3 ARG 27 - HG2 ARG 82 lone 2 82 - 2 - HB2 ARG 17 - HG LEU 62 lone 2 42 - 4 - HB2 LYS 75 - HG2 ARG 82 lone 2 84 - 2 - HB2 LYS 73 - HG3 ARG 23 lone 2 73 - 2 - HB3 PRO 34 - HG3 ARG 23 lone 1 65 - 2 - HB2 LYS 73 - HG LEU 64 lone 1 58 - 2 - HB ILE 89 - HG2 ARG 82 lone 1 58 - 2 - HB3 ARG 23 - HG LEU 62 lone 1 44 - 2 - HB2 ARG 23 - HG LEU 62 lone 1 44 - 2 - HB3 PRO 34 - HG LEU 64 lone 1 51 - 2 - HB2 LYS 75 - HG LEU 62 lone 1 43 - 2 - HB2 ARG 66 - HG LEU 62 lone 1 20 - 4 - HB3 PRO 34 - HG LEU 62 lone 1 23 - 3 - HB2 ARG 66 - HG2 ARG 82 lone 1 44 - 2 - HB2 ARG 27 - HG LEU 62 lone 1 42 - 1 - HB3 ARG 27 - HG LEU 62 lone 1 42 - 1 - HB ILE 89 - HG LEU 62 lone 0 27 - 2 - Peak 1295 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 2 out of 52 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HB2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 - HG LEU 64 OK 35 85 - 41 - 5111/2.1=4, 5022/2.1=4...(22) HB2 ARG 23 - HG LEU 64 OK 33 88 - 38 - 3.0/1289=5, 5022/2.1=4...(18) HB3 ARG 23 - HG LEU 64 OK 33 88 - 38 - 3.0/1289=5, 5022/2.1=4...(18) HB2 ARG 27 - HG3 ARG 23 OK 31 100 - 32 - 1287/1.8=3, ~1285=3...(9) HB3 ARG 27 - HG3 ARG 23 OK 31 99 - 32 - 1287/1.8=3, ~1285=3...(9) HB2 LYS 39 - HG3 ARG 23 OK 15 99 - 15 - 2.9/1876=2, 3.0/1836=1...(4) HB2 ARG 71 - HG3 ARG 23 OK 15 100 - 15 - 1287/1.8=2 HB3 ARG 71 - HG3 ARG 23 OK 15 99 - 15 - 1287/1.8=2 HB2 ARG 27 - HG LEU 64 OK 14 87 - 16 - 5022/2.1=2, 5028/2.1=2...(7) HB3 ARG 27 - HG LEU 64 OK 14 86 - 16 - 5022/2.1=2, 5028/2.1=2...(7) HB2 ARG 66 - HG LEU 64 OK 12 49 - 25 - ~6102=3, 5022/2.1=3...(11) HB2 ARG 17 - HG LEU 64 OK 11 85 - 13 - 5022/2.1=2, 5028/2.1=1 HB2 ARG 17 - HG3 ARG 23 lone 9 99 - 9 - HB2 ARG 71 - HG LEU 64 lone 8 87 - 10 - 5022/2.1=1 HB2 ARG 23 - HG2 ARG 82 lone 8 85 - 10 - 3.0/1289=1 HB3 ARG 23 - HG2 ARG 82 lone 8 85 - 10 - 3.0/1289=1 HB3 ARG 71 - HG LEU 64 lone 8 86 - 10 - 5022/2.1=1 HB2 LYS 75 - HG LEU 64 lone 7 87 - 8 - 5022/2.1=1, 5111/2.1=1 HB2 LYS 75 - HG3 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HG LEU 62 poor 6 42 - 13 - 2.9/1876=1, 1846=1 HB ILE 89 - HG LEU 64 lone 5 58 - 9 - 3607/2.1=1 HB2 ARG 66 - HG3 ARG 23 lone 5 63 - 8 - HB2 LYS 39 - HG2 ARG 82 lone 5 82 - 6 - HB2 ARG 71 - HG LEU 62 lone 3 43 - 8 - HB3 ARG 71 - HG LEU 62 lone 3 42 - 8 - HB2 LYS 73 - HG2 ARG 82 lone 3 53 - 6 - HB3 PRO 34 - HG2 ARG 82 lone 3 51 - 5 - HB2 ARG 71 - HG2 ARG 82 lone 3 84 - 3 - HB3 ARG 71 - HG2 ARG 82 lone 3 83 - 3 - HB2 ARG 17 - HG2 ARG 82 lone 2 81 - 2 - HB ILE 89 - HG3 ARG 23 lone 2 73 - 2 - HB2 ARG 27 - HG2 ARG 82 lone 2 84 - 2 - HB3 ARG 27 - HG2 ARG 82 lone 2 83 - 2 - HB2 LYS 73 - HG LEU 62 lone 2 25 - 7 - HB2 LYS 75 - HG2 ARG 82 lone 2 84 - 2 - HB2 ARG 17 - HG LEU 62 lone 2 41 - 4 - HB2 LYS 73 - HG3 ARG 23 lone 2 71 - 2 - HB3 PRO 34 - HG3 ARG 23 lone 1 68 - 2 - HB2 LYS 73 - HG LEU 64 lone 1 56 - 2 - HB3 PRO 34 - HG LEU 64 lone 1 54 - 2 - HB3 ARG 23 - HG LEU 62 lone 1 44 - 2 - HB2 ARG 23 - HG LEU 62 lone 1 44 - 2 - HB ILE 89 - HG2 ARG 82 lone 1 56 - 2 - HB2 LYS 75 - HG LEU 62 lone 1 43 - 2 - HB2 ARG 66 - HG LEU 62 lone 1 22 - 4 - HB3 PRO 34 - HG LEU 62 lone 1 24 - 3 - HB2 ARG 66 - HG2 ARG 82 lone 1 47 - 2 - HB2 ARG 27 - HG LEU 62 lone 1 43 - 2 - HB3 ARG 27 - HG LEU 62 lone 1 42 - 2 - HB ILE 89 - HG LEU 62 lone 0 26 - 2 - Peak 1296 from cnoeabs.peaks (1.67, 1.54, 27.31 ppm; 2.40 A): 1 out of 44 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 1.8=100 HB2 ARG 82 - HG2 ARG 82 OK 36 56 - 65 - 2.9=56, 1.8/5479=8...(6) HB3 LEU 64 - HG LEU 64 OK 30 51 - 59 - 3.0=52, 3.0/2616=4...(6) HG2 ARG 23 - HG LEU 64 OK 19 88 - 22 - 1289=7, ~2651=2, ~2644=2 HG LEU 29 - HG LEU 64 OK 15 87 - 18 - 1503/2.1=3, 1499/3.0=2, ~2652=1 HB3 LEU 64 - HG3 ARG 23 OK 13 65 - 19 - 3.1/2651=2, 1.8/2623=2...(6) HG LEU 29 - HG LEU 62 OK 11 43 - 26 - 6115/2.1=3, 1500/3.0=2...(8) HB3 GLN 61 - HG LEU 64 poor 9 81 - 11 - ~5311=2, 5770/2.1=1 HB2 ARG 82 - HG3 ARG 23 lone 6 73 - 8 - 5480=2 HG3 ARG 66 - HG LEU 64 poor 6 56 - 10 - HB2 ARG 82 - HG LEU 64 lone 6 58 - 10 - 5480=2, 1.8/5479=1 HG2 ARG 23 - HG2 ARG 82 lone 5 85 - 6 - 1289=2 HB3 LEU 64 - HG2 ARG 82 lone 5 49 - 9 - 1.8/2623=1 HG3 ARG 66 - HG3 ARG 23 lone 3 71 - 4 - HG LEU 29 - HG2 ARG 82 lone 3 84 - 3 - HD3 LYS 75 - HG3 ARG 23 lone 3 99 - 2 - HD2 LYS 75 - HG3 ARG 23 lone 3 99 - 2 - HB3 GLN 61 - HG3 ARG 23 lone 3 97 - 3 - HB3 LEU 64 - HG LEU 62 poor 2 23 - 11 - 1.8/2623=1 HG LEU 29 - HG3 ARG 23 lone 2 100 - 2 - HB3 LYS 13 - HG LEU 64 lone 2 81 - 3 - HB3 GLN 61 - HG LEU 62 lone 2 39 - 5 - 249/5.0=2 HD3 LYS 13 - HG LEU 64 lone 2 87 - 2 - HD2 LYS 13 - HG LEU 64 lone 2 87 - 2 - HD3 LYS 13 - HG3 ARG 23 lone 2 100 - 2 - HD2 LYS 13 - HG3 ARG 23 lone 2 100 - 2 - HD2 LYS 75 - HG LEU 64 lone 1 86 - 2 - HD3 LYS 75 - HG LEU 64 lone 1 86 - 2 - HB3 LYS 13 - HG3 ARG 23 lone 1 97 - 1 - HG2 ARG 23 - HG LEU 62 lone 1 44 - 2 - HB3 LYS 13 - HG2 ARG 82 lone 1 78 - 1 - HD2 LYS 13 - HG LEU 62 lone 1 43 - 1 - HD3 LYS 13 - HG LEU 62 lone 1 43 - 1 - HD2 LYS 13 - HG2 ARG 82 lone 0 84 - 1 - HD3 LYS 13 - HG2 ARG 82 lone 0 84 - 1 - HB3 LYS 13 - HG LEU 62 lone 1 39 - 1 - HD3 LYS 75 - HG LEU 62 lone 1 42 - 1 - HD2 LYS 75 - HG LEU 62 lone 1 42 - 1 - HD2 LYS 75 - HG2 ARG 82 lone 0 83 - 0 - HD3 LYS 75 - HG2 ARG 82 lone 0 83 - 0 - HG3 ARG 66 - HG LEU 62 lone 0 25 - 2 - HG3 ARG 66 - HG2 ARG 82 lone 0 53 - 1 - HB3 GLN 61 - HG2 ARG 82 lone 0 78 - 0 - HB2 ARG 82 - HG LEU 62 lone 0 26 - 1 - Peak 1297 from cnoeabs.peaks (1.54, 1.54, 27.31 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HG3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 HG LEU 64 + HG LEU 64 OK 88 88 - 100 HG2 ARG 82 + HG2 ARG 82 OK 76 76 - 100 HG LEU 62 - HG LEU 62 OK 25 25 - 100 Peak 1298 from cnoeabs.peaks (3.17, 1.54, 27.31 ppm; 3.10 A): 3 out of 56 assignments used, quality = 1.00: HD3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 2.9=100 * HD2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 - 100 - 3.0=100 HD2 ARG 23 - HG LEU 64 OK 28 88 - 32 - 2.9/1289=5, 5019/2.1=3...(16) HD3 ARG 23 - HG LEU 64 OK 28 88 - 32 - 2.9/1289=5, 5019/2.1=3...(16) HD2 ARG 27 - HG3 ARG 23 OK 15 100 - 16 - 1291/1.8=2, 5.4/1293=1...(8) HD3 ARG 27 - HG3 ARG 23 OK 15 100 - 16 - 1291/1.8=2, 5.4/1293=1...(8) HD3 ARG 66 - HG LEU 64 OK 12 63 - 20 - 5019/2.1=3, ~5019=2...(6) HD2 ARG 66 - HG LEU 64 OK 11 58 - 19 - 5019/2.1=3, ~5019=2...(6) HD2 ARG 82 - HG LEU 64 poor 9 73 - 12 - 3.6/5480=2, 3.6/5479=1 HD2 ARG 17 - HG3 ARG 23 lone 8 100 - 8 - HD3 ARG 17 - HG3 ARG 23 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 82 lone 8 85 - 9 - 2.9/1289=1 HD2 ARG 23 - HG2 ARG 82 lone 8 85 - 9 - 2.9/1289=1 HD2 ARG 26 - HG3 ARG 23 lone 8 98 - 8 - HD3 ARG 26 - HG3 ARG 23 lone 8 97 - 8 - HD3 ARG 17 - HG LEU 64 lone 8 87 - 9 - 5019/2.1=1 HD2 ARG 17 - HG LEU 64 lone 8 87 - 9 - 5019/2.1=1 HD2 ARG 27 - HG LEU 64 lone 7 87 - 8 - 5019/2.1=1, ~5161=1 HD3 ARG 27 - HG LEU 64 lone 7 87 - 8 - 5019/2.1=1, ~5161=1 HD3 ARG 66 - HG3 ARG 23 lone 7 78 - 8 - HD2 ARG 66 - HG3 ARG 23 lone 6 73 - 8 - HD2 ARG 82 - HG3 ARG 23 lone 6 89 - 7 - 3.6/5480=2 HD2 ARG 26 - HG LEU 64 lone 5 84 - 6 - HD3 ARG 26 - HG LEU 64 lone 5 83 - 6 - HD2 ARG 71 - HG3 ARG 23 lone 4 71 - 6 - HD2 ARG 26 - HG LEU 62 lone 4 41 - 9 - ~5958=1, 5958/2.1=1 HD3 ARG 26 - HG LEU 62 lone 4 40 - 9 - ~5958=1, 5958/2.1=1 HD3 ARG 84 - HG2 ARG 82 lone 2 71 - 3 - HD3 ARG 84 - HG3 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HG2 ARG 82 lone 2 68 - 3 - HD2 ARG 17 - HG2 ARG 82 lone 2 84 - 2 - HD3 ARG 17 - HG2 ARG 82 lone 2 84 - 2 - HD2 ARG 84 - HG3 ARG 23 lone 2 87 - 2 - HD2 ARG 71 - HG LEU 64 lone 2 56 - 3 - HD3 ARG 66 - HG LEU 62 lone 1 28 - 5 - HD3 ARG 23 - HG LEU 62 lone 1 44 - 3 - HD2 ARG 23 - HG LEU 62 lone 1 44 - 3 - HD3 ARG 84 - HG LEU 64 lone 1 74 - 2 - HD3 ARG 27 - HG2 ARG 82 lone 1 84 - 1 - HD2 ARG 27 - HG2 ARG 82 lone 1 84 - 1 - HD2 ARG 66 - HG LEU 62 lone 1 26 - 5 - HD2 ARG 84 - HG LEU 64 lone 1 71 - 2 - HD3 ARG 84 - HG LEU 62 lone 1 35 - 4 - HD2 ARG 71 - HG2 ARG 82 lone 1 53 - 2 - HD2 ARG 84 - HG LEU 62 lone 1 33 - 4 - HD2 ARG 71 - HG LEU 62 lone 1 25 - 5 - HD2 ARG 26 - HG2 ARG 82 lone 1 81 - 1 - HD3 ARG 26 - HG2 ARG 82 lone 1 80 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 43 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 43 - 2 - HD3 ARG 66 - HG2 ARG 82 lone 1 60 - 1 - HD3 ARG 27 - HG LEU 62 lone 1 43 - 2 - HD2 ARG 27 - HG LEU 62 lone 1 43 - 2 - HD2 ARG 66 - HG2 ARG 82 lone 1 56 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 34 - 1 - Peak 1299 from cnoeabs.peaks (3.17, 1.54, 27.31 ppm; 3.10 A): 3 out of 56 assignments used, quality = 1.00: * HD3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 2.9=100 HD2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 - 100 - 3.0=100 HD2 ARG 23 - HG LEU 64 OK 28 88 - 32 - 2.9/1289=5, 5019/2.1=3...(16) HD3 ARG 23 - HG LEU 64 OK 28 88 - 32 - 2.9/1289=5, 5019/2.1=3...(16) HD2 ARG 27 - HG3 ARG 23 OK 15 100 - 16 - 1291/1.8=2, 5.4/1293=1...(8) HD3 ARG 27 - HG3 ARG 23 OK 15 100 - 16 - 1291/1.8=2, 5.4/1293=1...(8) HD3 ARG 66 - HG LEU 64 OK 12 63 - 20 - 5019/2.1=3, ~5019=2...(6) HD2 ARG 66 - HG LEU 64 OK 11 58 - 19 - 5019/2.1=3, ~5019=2...(6) HD2 ARG 82 - HG LEU 64 poor 9 73 - 12 - 3.6/5480=2, 3.6/5479=1 HD2 ARG 17 - HG3 ARG 23 lone 8 100 - 8 - HD3 ARG 17 - HG3 ARG 23 lone 8 100 - 8 - HD3 ARG 23 - HG2 ARG 82 lone 8 85 - 9 - 2.9/1289=1 HD2 ARG 23 - HG2 ARG 82 lone 8 85 - 9 - 2.9/1289=1 HD2 ARG 26 - HG3 ARG 23 lone 8 98 - 8 - HD3 ARG 26 - HG3 ARG 23 lone 8 97 - 8 - HD3 ARG 17 - HG LEU 64 lone 8 87 - 9 - 5019/2.1=1 HD2 ARG 17 - HG LEU 64 lone 8 87 - 9 - 5019/2.1=1 HD2 ARG 27 - HG LEU 64 lone 7 87 - 8 - 5019/2.1=1, ~5161=1 HD3 ARG 27 - HG LEU 64 lone 7 87 - 8 - 5019/2.1=1, ~5161=1 HD3 ARG 66 - HG3 ARG 23 lone 7 78 - 8 - HD2 ARG 66 - HG3 ARG 23 lone 6 73 - 8 - HD2 ARG 82 - HG3 ARG 23 lone 6 89 - 7 - 3.6/5480=2 HD2 ARG 26 - HG LEU 64 lone 5 84 - 6 - HD3 ARG 26 - HG LEU 64 lone 5 83 - 6 - HD2 ARG 71 - HG3 ARG 23 lone 4 71 - 6 - HD2 ARG 26 - HG LEU 62 lone 4 41 - 9 - ~5958=1, 5958/2.1=1 HD3 ARG 26 - HG LEU 62 lone 4 40 - 9 - ~5958=1, 5958/2.1=1 HD3 ARG 84 - HG2 ARG 82 lone 2 71 - 3 - HD3 ARG 84 - HG3 ARG 23 lone 2 90 - 2 - HD2 ARG 84 - HG2 ARG 82 lone 2 68 - 3 - HD2 ARG 17 - HG2 ARG 82 lone 2 84 - 2 - HD3 ARG 17 - HG2 ARG 82 lone 2 84 - 2 - HD2 ARG 84 - HG3 ARG 23 lone 2 87 - 2 - HD2 ARG 71 - HG LEU 64 lone 2 56 - 3 - HD3 ARG 66 - HG LEU 62 lone 1 28 - 5 - HD3 ARG 23 - HG LEU 62 lone 1 44 - 3 - HD2 ARG 23 - HG LEU 62 lone 1 44 - 3 - HD3 ARG 84 - HG LEU 64 lone 1 74 - 2 - HD3 ARG 27 - HG2 ARG 82 lone 1 84 - 1 - HD2 ARG 27 - HG2 ARG 82 lone 1 84 - 1 - HD2 ARG 66 - HG LEU 62 lone 1 26 - 5 - HD2 ARG 84 - HG LEU 64 lone 1 71 - 2 - HD3 ARG 84 - HG LEU 62 lone 1 35 - 4 - HD2 ARG 71 - HG2 ARG 82 lone 1 53 - 2 - HD2 ARG 84 - HG LEU 62 lone 1 33 - 4 - HD2 ARG 71 - HG LEU 62 lone 1 25 - 5 - HD2 ARG 26 - HG2 ARG 82 lone 1 81 - 1 - HD3 ARG 26 - HG2 ARG 82 lone 1 80 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 43 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 43 - 2 - HD3 ARG 66 - HG2 ARG 82 lone 1 60 - 1 - HD3 ARG 27 - HG LEU 62 lone 1 43 - 2 - HD2 ARG 27 - HG LEU 62 lone 1 43 - 2 - HD2 ARG 66 - HG2 ARG 82 lone 1 56 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 34 - 1 - Peak 1301 from cnoeabs.peaks (4.13, 3.17, 43.10 ppm; 4.29 A): 6 out of 84 assignments used, quality = 1.00: * HA ARG 23 + HD2 ARG 23 OK 84 100 - 84 - 5.2=56, 1285/2.9=23...(23) HA ARG 23 + HD3 ARG 23 OK 84 100 - 84 - 5.2=56, 1285/2.9=23...(23) HA ARG 27 + HD2 ARG 27 OK 81 96 - 84 - 5.4=51, 1419/3.0=9...(37) HA ARG 27 + HD3 ARG 27 OK 81 96 - 84 - 5.4=51, 1419/3.0=9...(37) HA ARG 27 + HD2 ARG 26 OK 53 93 - 57 - 5345/6.1=7, ~65=4...(23) HA ARG 27 + HD3 ARG 26 OK 52 92 - 57 - 5345/6.1=7, ~65=4...(23) HA ARG 27 - HD2 ARG 23 OK 38 97 - 40 - 1285/2.9=9, 1293/2.9=5...(11) HA ARG 27 - HD3 ARG 23 OK 38 97 - 40 - 1285/2.9=9, 1293/2.9=5...(11) HA ARG 23 - HD2 ARG 27 OK 21 100 - 21 - 3.6/5300=3, 3.8/1290=2...(9) HA ARG 23 - HD3 ARG 27 OK 21 100 - 21 - 3.6/5300=3, 3.8/1290=2...(9) HA ARG 27 - HD3 ARG 17 OK 20 96 - 20 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD2 ARG 17 OK 20 96 - 20 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD2 ARG 71 OK 15 65 - 23 - ~65=3, 1418/3.0=2...(10) HA ALA 30 - HD2 ARG 26 OK 12 95 - 13 - ~4194=3, ~5537=2...(6) HA ALA 30 - HD3 ARG 26 OK 12 94 - 13 - ~4194=3, ~5537=2...(6) HA ARG 23 - HD2 ARG 26 OK 12 98 - 12 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD3 ARG 26 OK 12 97 - 12 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD2 ARG 17 lone 9 100 - 9 - HA ARG 23 - HD3 ARG 17 lone 9 100 - 9 - HA GLN 91 - HD2 ARG 26 lone 8 96 - 8 - 3661/3.5=2, 3661/3.5=2 HA GLN 91 - HD3 ARG 26 lone 8 95 - 8 - 3661/3.5=2, 3661/3.5=2 HA ALA 30 - HD3 ARG 23 lone 8 98 - 8 - 1285/2.9=2, 1293/2.9=1 HA ALA 30 - HD2 ARG 23 lone 8 98 - 8 - 1285/2.9=2, 1293/2.9=1 HA ALA 30 - HD2 ARG 27 lone 7 98 - 7 - 534/6.3=2, 5344/3.5=1 HA ALA 30 - HD3 ARG 27 lone 7 98 - 7 - 534/6.3=2, 5344/3.5=1 HA ARG 23 - HD2 ARG 71 lone 5 71 - 8 - HA ARG 23 - HD2 ARG 82 lone 5 85 - 6 - 1265/3.0=1, 1264/3.6=1 HB THR 88 - HD2 ARG 27 lone 5 99 - 5 - 534/6.3=1 HB THR 88 - HD3 ARG 27 lone 5 99 - 5 - 534/6.3=1 HA ARG 23 - HD3 ARG 66 poor 5 42 - 11 - HA ARG 27 - HD3 ARG 66 poor 5 37 - 12 - HB THR 88 - HD2 ARG 26 lone 4 96 - 4 - 3589/6.1=1 HB THR 88 - HD3 ARG 26 lone 4 95 - 4 - 3589/6.1=1 HA ARG 23 - HD2 ARG 66 poor 4 38 - 11 - HA ARG 27 - HD2 ARG 66 poor 4 35 - 12 - HA ARG 27 - HD3 ARG 84 lone 3 84 - 4 - HB THR 88 - HD3 ARG 23 lone 3 99 - 3 - HB THR 88 - HD2 ARG 23 lone 3 99 - 3 - HA ARG 27 - HD2 ARG 84 lone 3 80 - 4 - HB THR 88 - HD3 ARG 17 lone 3 98 - 3 - HB THR 88 - HD2 ARG 17 lone 3 98 - 3 - HA ALA 30 - HD2 ARG 71 lone 3 67 - 5 - ~4843=2 HA ASN 49 - HD3 ARG 23 lone 3 96 - 3 - HA ASN 49 - HD2 ARG 23 lone 3 96 - 3 - HA ALA 30 - HD3 ARG 66 lone 3 39 - 8 - ~4194=2, 4842/3.0=1 HA ARG 23 - HD3 ARG 84 lone 3 90 - 3 - HA ALA 30 - HD2 ARG 66 lone 3 36 - 8 - ~4194=2, 4842/3.0=1 HA ARG 23 - HD2 ARG 84 lone 2 87 - 3 - HA GLN 91 - HD3 ARG 23 lone 2 99 - 2 - HA GLN 91 - HD2 ARG 23 lone 2 99 - 2 - HA ALA 30 - HD3 ARG 84 lone 2 86 - 2 - HA ASN 49 - HD3 ARG 84 lone 2 83 - 3 - ~177=1 HA ALA 30 - HD2 ARG 84 lone 2 83 - 2 - HA GLN 91 - HD3 ARG 27 lone 2 99 - 2 - HA GLN 91 - HD2 ARG 27 lone 2 99 - 2 - HA ASN 49 - HD2 ARG 84 lone 2 79 - 2 - HA ARG 27 - HD2 ARG 82 lone 2 78 - 2 - HA ALA 30 - HD2 ARG 82 lone 2 80 - 2 - HA ALA 30 - HD3 ARG 17 lone 1 97 - 1 - HA ALA 30 - HD2 ARG 17 lone 1 97 - 1 - HA ASN 49 - HD3 ARG 27 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 27 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 26 lone 1 92 - 1 - HA ASN 49 - HD3 ARG 26 lone 1 91 - 1 - HB THR 88 - HD3 ARG 84 lone 1 88 - 1 - HA GLN 91 - HD2 ARG 82 lone 1 82 - 1 - HB THR 88 - HD2 ARG 84 lone 1 84 - 1 - HA GLN 91 - HD2 ARG 17 lone 1 98 - 1 - HA GLN 91 - HD3 ARG 17 lone 1 98 - 1 - HA ASN 49 - HD2 ARG 82 lone 1 77 - 1 - HA ASN 49 - HD3 ARG 17 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 17 lone 1 95 - 1 - HB THR 88 - HD2 ARG 71 lone 1 68 - 1 - HB THR 88 - HD2 ARG 82 lone 1 82 - 1 - HA ASN 49 - HD2 ARG 71 lone 1 63 - 2 - HA GLN 91 - HD3 ARG 66 lone 1 40 - 3 - HA GLN 91 - HD3 ARG 84 lone 1 88 - 1 - HA GLN 91 - HD2 ARG 84 lone 1 84 - 1 - HA GLN 91 - HD2 ARG 66 lone 1 37 - 3 - HA GLN 91 - HD2 ARG 71 lone 1 68 - 1 - HB THR 88 - HD3 ARG 66 lone 0 40 - 1 - HB THR 88 - HD2 ARG 66 lone 0 37 - 1 - HA ASN 49 - HD3 ARG 66 lone 0 37 - 1 - HA ASN 49 - HD2 ARG 66 lone 0 34 - 1 - Peak 1302 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 11 out of 182 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) * HB2 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 70 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 70 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 17 + HD2 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 71 + HD2 ARG 71 OK 45 69 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 - HD2 ARG 71 OK 45 68 - 65 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 31 95 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 95 - 23 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 71 - HD2 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB2 ARG 71 - HD3 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 21 98 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 21 98 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 17 - HD2 ARG 26 OK 15 96 - 16 - HB2 ARG 17 - HD3 ARG 26 OK 15 95 - 16 - HB2 ARG 66 - HD3 ARG 66 OK 13 19 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 66 - HD2 ARG 66 OK 12 18 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 17 - HD2 ARG 27 OK 12 99 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 12 99 - 12 - HB2 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 66 - HD2 ARG 26 OK 11 56 - 19 - HB2 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB2 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD3 ARG 17 OK 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 OK 10 98 - 10 - HB2 ARG 66 - HD3 ARG 26 OK 10 55 - 18 - HB2 ARG 17 - HD2 ARG 71 poor 9 68 - 13 - 2930/3.0=2 HB2 ARG 17 - HD2 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 84 lone 8 88 - 10 - HB2 ARG 71 - HD3 ARG 66 poor 8 40 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 8 40 - 21 - ~5167=1 HB2 ARG 17 - HD2 ARG 84 lone 8 84 - 10 - HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB2 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 84 lone 8 88 - 9 - HB3 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB2 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 7 84 - 9 - HB2 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 7 69 - 10 - 2930/3.0=1 HB2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 27 - HD2 ARG 71 lone 7 68 - 10 - 2930/3.0=1 HB2 LYS 39 - HD3 ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 99 - 6 - HB3 PRO 34 - HD2 ARG 26 lone 4 61 - 7 - HB3 PRO 34 - HD3 ARG 26 lone 4 61 - 7 - HB2 ARG 66 - HD2 ARG 71 poor 4 35 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 4 60 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 4 60 - 6 - HB2 LYS 73 - HD3 ARG 84 lone 4 60 - 6 - HB2 LYS 73 - HD2 ARG 84 lone 3 57 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 3 59 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 3 59 - 5 - HB2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 87 - 3 - HB2 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB3 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB3 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 LYS 39 - HD2 ARG 84 lone 3 83 - 3 - HB2 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB2 LYS 75 - HD3 ARG 23 lone 2 100 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 100 - 2 - HB3 PRO 34 - HD2 ARG 71 lone 2 39 - 6 - HB ILE 89 - HD3 ARG 84 lone 2 63 - 4 - HB ILE 89 - HD2 ARG 84 lone 2 59 - 4 - HB2 ARG 66 - HD3 ARG 17 lone 2 59 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 59 - 3 - HB ILE 89 - HD2 ARG 27 lone 2 75 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 75 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 88 - 2 - HB2 LYS 73 - HD2 ARG 71 lone 2 45 - 4 - HB2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 72 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 72 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 84 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 90 - 2 - HB2 LYS 75 - HD2 ARG 84 lone 1 86 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 81 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 70 - 2 - HB ILE 89 - HD3 ARG 17 lone 1 75 - 2 - HB ILE 89 - HD2 ARG 17 lone 1 75 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 73 - HD2 ARG 82 lone 1 55 - 2 - HB2 ARG 17 - HD3 ARG 66 lone 1 40 - 2 - HB ILE 89 - HD2 ARG 26 lone 1 72 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 37 - 2 - HB ILE 89 - HD2 ARG 23 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 98 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 98 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 73 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 73 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 99 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 99 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 68 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 69 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 68 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 65 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 65 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 65 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 65 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 84 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 100 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 100 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 53 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 73 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 73 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 50 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 49 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 1 98 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 1 97 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 57 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 0 64 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 0 64 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 39 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 46 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 36 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 49 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 46 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 0 22 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 20 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 41 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 44 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 38 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 25 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 23 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 26 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 24 - 0 - Peak 1303 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 182 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) * HB3 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 17 + HD2 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 71 + HD2 ARG 71 OK 46 70 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 + HD2 ARG 71 OK 45 69 - 65 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 31 96 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 23 OK 22 100 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 22 100 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 71 - HD2 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB2 ARG 71 - HD3 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 21 99 - 21 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 21 99 - 21 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 17 - HD2 ARG 26 OK 15 96 - 16 - HB2 ARG 17 - HD3 ARG 26 OK 15 95 - 16 - HB2 ARG 66 - HD3 ARG 66 OK 14 20 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 66 - HD2 ARG 66 OK 13 19 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1290=1 HB2 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1290=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 71 - HD2 ARG 23 OK 12 100 - 12 - HB2 ARG 71 - HD3 ARG 23 OK 12 100 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 12 98 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 12 98 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 66 - HD2 ARG 26 OK 11 59 - 19 - HB2 ARG 66 - HD3 ARG 26 OK 11 58 - 18 - HB2 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB2 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB2 ARG 17 - HD2 ARG 71 poor 9 68 - 13 - 2930/3.0=2 HB2 ARG 17 - HD2 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 23 lone 9 99 - 9 - HB2 ARG 71 - HD3 ARG 66 poor 9 41 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 9 40 - 21 - ~5167=1 HB2 ARG 17 - HD3 ARG 84 lone 8 87 - 10 - HB2 ARG 17 - HD2 ARG 84 lone 8 83 - 10 - HB2 ARG 71 - HD2 ARG 66 poor 8 38 - 21 - ~5167=1 HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB2 ARG 71 - HD2 ARG 84 lone 8 86 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB2 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 7 70 - 10 - 2930/3.0=1 HB3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 27 - HD2 ARG 71 lone 7 69 - 10 - 2930/3.0=1 HB2 LYS 39 - HD3 ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 99 - 6 - HB3 PRO 34 - HD2 ARG 26 lone 4 64 - 7 - HB3 PRO 34 - HD3 ARG 26 lone 4 63 - 7 - HB2 ARG 66 - HD2 ARG 71 poor 4 37 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 4 63 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 4 63 - 6 - HB2 LYS 73 - HD3 ARG 84 lone 3 58 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 3 62 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 3 62 - 5 - HB2 LYS 73 - HD2 ARG 84 lone 3 55 - 6 - HB2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 88 - 3 - HB3 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 LYS 39 - HD2 ARG 84 lone 3 84 - 3 - HB3 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 41 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB3 PRO 34 - HD2 ARG 71 lone 2 41 - 6 - HB2 LYS 75 - HD2 ARG 23 lone 2 100 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 100 - 2 - HB ILE 89 - HD3 ARG 84 lone 2 60 - 3 - HB ILE 89 - HD2 ARG 84 lone 2 57 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 62 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 62 - 3 - HB2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB ILE 89 - HD2 ARG 27 lone 2 73 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 73 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 86 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB2 LYS 73 - HD2 ARG 71 lone 2 43 - 4 - HB2 LYS 73 - HD3 ARG 17 lone 1 70 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 1 70 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 89 - 2 - HB2 LYS 75 - HD2 ARG 84 lone 1 86 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 82 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 70 - 2 - HB ILE 89 - HD2 ARG 17 lone 1 72 - 2 - HB ILE 89 - HD3 ARG 17 lone 1 72 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 39 - 2 - HB2 LYS 73 - HD2 ARG 82 lone 1 53 - 2 - HB2 LYS 39 - HD3 ARG 27 lone 1 99 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 99 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 36 - 2 - HB2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 69 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 73 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 73 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 68 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 99 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 99 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 68 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 81 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 66 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 67 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 67 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 67 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 68 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 68 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 83 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 56 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 51 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 53 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 96 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 70 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 70 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 67 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 67 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 55 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 40 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 37 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 45 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 51 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 0 23 - 2 - HB2 ARG 66 - HD2 ARG 84 lone 0 48 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 21 - 2 - HB2 ARG 66 - HD2 ARG 82 lone 0 47 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 41 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 38 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 24 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 22 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 25 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 23 - 0 - Peak 1304 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 2.95 A): 2 out of 154 assignments used, quality = 1.00: * HG2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 2.9=100 HG2 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 2.9=100 HB2 ARG 82 - HD2 ARG 82 OK 33 55 - 60 - 3.6=53, ~5479=4...(6) HG3 ARG 66 - HD3 ARG 66 OK 24 24 - 100 - 3.0=100 HG3 ARG 66 - HD2 ARG 66 OK 22 22 - 100 - 3.0=100 HB3 LEU 64 - HD3 ARG 23 OK 15 65 - 23 - 3.1/5019=3, 2630/2.9=2...(8) HB3 LEU 64 - HD2 ARG 23 OK 15 65 - 23 - 3.1/5019=3, 2630/2.9=2...(8) HG2 ARG 23 - HD3 ARG 27 OK 15 100 - 15 - 1290=2, 1285/5.4=2...(5) HG2 ARG 23 - HD2 ARG 27 OK 15 100 - 15 - 1290=2, 1285/5.4=2...(5) HG3 ARG 66 - HD2 ARG 26 OK 14 67 - 22 - 2708/3.5=1, 2708/3.5=1...(5) HG3 ARG 66 - HD3 ARG 26 OK 14 66 - 21 - 2708/3.5=1, 2708/3.5=1...(5) HG LEU 29 - HD3 ARG 84 lone 7 90 - 8 - 1499/3.5=2, 1500/2.9=1 HB2 ARG 82 - HD3 ARG 23 lone 7 73 - 10 - 5480/2.9=1, 5889/1.8=1 HB2 ARG 82 - HD2 ARG 23 lone 7 73 - 10 - 5480/2.9=1, 5889/1.8=1 HG LEU 29 - HD2 ARG 84 lone 7 86 - 8 - 1499/3.5=2, 1500/2.9=1 HG2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HG2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HG2 ARG 23 - HD3 ARG 17 lone 6 100 - 6 - HG2 ARG 23 - HD2 ARG 17 lone 6 100 - 6 - HG3 ARG 66 - HD2 ARG 23 lone 5 71 - 7 - HG3 ARG 66 - HD3 ARG 23 lone 5 71 - 7 - HG3 ARG 66 - HD2 ARG 71 poor 5 43 - 11 - HG3 ARG 66 - HD2 ARG 27 lone 4 70 - 6 - HG3 ARG 66 - HD3 ARG 27 lone 4 70 - 6 - HG LEU 29 - HD2 ARG 26 lone 4 98 - 4 - HB3 LEU 64 - HD3 ARG 17 lone 4 64 - 7 - HB3 LEU 64 - HD2 ARG 17 lone 4 64 - 7 - HG LEU 29 - HD3 ARG 26 lone 4 97 - 4 - HG2 ARG 23 - HD2 ARG 71 lone 4 71 - 5 - HB3 LEU 64 - HD2 ARG 82 lone 4 49 - 7 - 2630/3.0=1 HB3 LEU 64 - HD2 ARG 27 lone 3 65 - 5 - HB3 LEU 64 - HD3 ARG 27 lone 3 65 - 5 - HG2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - 1289/3.0=1 HB3 LEU 64 - HD3 ARG 66 poor 3 22 - 16 - 3.1/5019=2, ~5019=1 HG2 ARG 23 - HD3 ARG 66 lone 3 42 - 8 - HB3 LEU 64 - HD2 ARG 66 poor 3 20 - 16 - 3.1/5019=2, ~5019=1 HG2 ARG 23 - HD2 ARG 66 lone 3 38 - 8 - HG LEU 29 - HD3 ARG 66 lone 3 41 - 7 - HB3 GLN 61 - HD2 ARG 23 lone 3 97 - 3 - HB3 GLN 61 - HD3 ARG 23 lone 3 97 - 3 - HG LEU 29 - HD2 ARG 66 lone 3 38 - 7 - HG LEU 29 - HD3 ARG 23 lone 2 100 - 2 - HG LEU 29 - HD2 ARG 23 lone 2 100 - 2 - HB3 LEU 64 - HD2 ARG 26 lone 2 61 - 4 - HB3 LEU 64 - HD3 ARG 26 lone 2 61 - 4 - HG LEU 29 - HD2 ARG 82 lone 2 84 - 3 - HB2 ARG 82 - HD3 ARG 84 lone 2 60 - 4 - HG LEU 29 - HD2 ARG 71 lone 2 70 - 3 - HD2 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HD3 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HD3 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HD2 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HG3 ARG 66 - HD3 ARG 17 lone 2 70 - 3 - HG3 ARG 66 - HD2 ARG 17 lone 2 70 - 3 - HB2 ARG 82 - HD2 ARG 84 lone 2 57 - 4 - HG2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HG LEU 29 - HD2 ARG 27 lone 2 100 - 2 - HG LEU 29 - HD3 ARG 27 lone 2 100 - 2 - HB2 ARG 82 - HD3 ARG 17 lone 2 72 - 2 - HB2 ARG 82 - HD2 ARG 17 lone 2 72 - 2 - HG2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HD2 LYS 13 - HD3 ARG 23 lone 2 100 - 1 - HD3 LYS 13 - HD3 ARG 23 lone 2 100 - 1 - HD3 LYS 13 - HD2 ARG 23 lone 2 100 - 1 - HD2 LYS 13 - HD2 ARG 23 lone 2 100 - 1 - HB3 LYS 13 - HD3 ARG 23 lone 1 97 - 1 - HB3 LYS 13 - HD2 ARG 23 lone 1 97 - 1 - HG LEU 29 - HD2 ARG 17 lone 1 99 - 1 - HG LEU 29 - HD3 ARG 17 lone 1 99 - 1 - HB2 ARG 82 - HD2 ARG 27 lone 1 73 - 1 - HB2 ARG 82 - HD3 ARG 27 lone 1 73 - 1 - HB2 ARG 82 - HD2 ARG 71 lone 1 45 - 2 - HB3 GLN 61 - HD3 ARG 27 lone 1 96 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 1 96 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 1 37 - 2 - HB3 LYS 13 - HD3 ARG 84 lone 1 84 - 1 - HB2 ARG 82 - HD2 ARG 26 lone 1 69 - 1 - HB2 ARG 82 - HD3 ARG 26 lone 1 68 - 1 - HB3 LYS 13 - HD2 ARG 84 lone 1 80 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 1 35 - 2 - HB3 LYS 13 - HD2 ARG 82 lone 1 78 - 1 - HB3 LEU 64 - HD3 ARG 84 lone 1 53 - 1 - HD3 LYS 75 - HD2 ARG 71 lone 1 69 - 1 - HD2 LYS 75 - HD2 ARG 71 lone 1 69 - 1 - HD2 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HD2 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HD3 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HB3 LEU 64 - HD2 ARG 84 lone 1 50 - 1 - HD2 LYS 13 - HD3 ARG 27 lone 1 99 - 1 - HD2 LYS 13 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 13 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 13 - HD3 ARG 27 lone 1 99 - 1 - HB3 LYS 13 - HD3 ARG 27 lone 1 96 - 1 - HB3 LYS 13 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 75 - HD3 ARG 84 lone 1 89 - 1 - HD2 LYS 75 - HD3 ARG 84 lone 1 89 - 1 - HD3 LYS 75 - HD2 ARG 84 lone 1 85 - 1 - HD2 LYS 75 - HD2 ARG 84 lone 1 85 - 1 - HB3 LYS 13 - HD2 ARG 26 lone 1 93 - 1 - HB3 LYS 13 - HD3 ARG 26 lone 1 92 - 1 - HB3 LEU 64 - HD2 ARG 71 lone 1 39 - 1 - HD3 LYS 13 - HD3 ARG 84 lone 0 89 - 1 - HD2 LYS 13 - HD3 ARG 84 lone 0 89 - 1 - HB3 LYS 13 - HD2 ARG 17 lone 0 96 - 0 - HB3 LYS 13 - HD3 ARG 17 lone 0 96 - 0 - HD2 LYS 75 - HD3 ARG 17 lone 0 99 - 0 - HD2 LYS 75 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 75 - HD3 ARG 17 lone 0 99 - 0 - HD3 LYS 75 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD2 ARG 84 lone 0 86 - 1 - HD2 LYS 13 - HD2 ARG 84 lone 0 86 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 93 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 92 - 0 - HD3 LYS 13 - HD2 ARG 82 lone 0 83 - 1 - HD2 LYS 13 - HD2 ARG 82 lone 0 83 - 1 - HD2 LYS 13 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 13 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 13 - HD3 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD2 ARG 17 lone 0 99 - 0 - HD2 LYS 13 - HD3 ARG 17 lone 0 99 - 0 - HD2 LYS 13 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 13 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 75 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 75 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 96 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 96 - 0 - HD2 LYS 75 - HD2 ARG 82 lone 0 83 - 0 - HD3 LYS 75 - HD2 ARG 82 lone 0 83 - 0 - HB3 LYS 13 - HD2 ARG 71 lone 0 65 - 1 - HD3 LYS 13 - HD2 ARG 71 lone 0 70 - 1 - HD2 LYS 13 - HD2 ARG 71 lone 0 70 - 1 - HG3 ARG 66 - HD3 ARG 84 lone 0 58 - 1 - HB3 LYS 13 - HD3 ARG 66 lone 0 37 - 1 - HG3 ARG 66 - HD2 ARG 84 lone 0 55 - 1 - HB3 LYS 13 - HD2 ARG 66 lone 0 35 - 1 - HG3 ARG 66 - HD2 ARG 82 lone 0 53 - 1 - HB3 GLN 61 - HD3 ARG 84 lone 0 84 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 78 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 80 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 65 - 0 - HB2 ARG 82 - HD3 ARG 66 lone 0 25 - 1 - HB2 ARG 82 - HD2 ARG 66 lone 0 23 - 1 - HD2 LYS 13 - HD3 ARG 66 lone 0 41 - 0 - HD3 LYS 13 - HD3 ARG 66 lone 0 41 - 0 - HD2 LYS 13 - HD2 ARG 66 lone 0 38 - 0 - HD3 LYS 13 - HD2 ARG 66 lone 0 38 - 0 - HD2 LYS 75 - HD3 ARG 66 lone 0 40 - 0 - HD3 LYS 75 - HD3 ARG 66 lone 0 40 - 0 - HD3 LYS 75 - HD2 ARG 66 lone 0 37 - 0 - HD2 LYS 75 - HD2 ARG 66 lone 0 37 - 0 - Peak 1305 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 2.92 A): 3 out of 98 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 99 100 - 99 - 2.9=99 HG3 ARG 23 + HD3 ARG 23 OK 99 100 - 99 - 2.9=99 HG2 ARG 82 + HD2 ARG 82 OK 71 76 - 94 - 3.0=92, 5479/3.6=6...(7) HG LEU 64 - HD2 ARG 23 OK 28 100 - 28 - 1289/2.9=4, 2.1/5019=3...(14) HG LEU 64 - HD3 ARG 23 OK 28 100 - 28 - 1289/2.9=4, 2.1/5019=3...(14) HG3 ARG 23 - HD3 ARG 27 OK 14 100 - 14 - 1.8/1291=2, 1299=1, 1293/5.4=1 HG3 ARG 23 - HD2 ARG 27 OK 14 100 - 14 - 1.8/1291=2, 1299=1, 1293/5.4=1 HG2 LYS 39 - HD3 ARG 23 lone 9 99 - 9 - 1289/2.9=1, 1864/3.5=1 HG2 LYS 39 - HD2 ARG 23 lone 9 99 - 9 - 1289/2.9=1, 1864/3.5=1 HG LEU 64 - HD2 ARG 82 poor 9 85 - 10 - 5480/3.6=2, 5479/3.6=1 HG2 ARG 82 - HD3 ARG 23 lone 8 95 - 9 - 1289/2.9=1 HG2 ARG 82 - HD2 ARG 23 lone 8 95 - 9 - 1289/2.9=1 HG LEU 64 - HD3 ARG 17 lone 8 100 - 8 - HG LEU 64 - HD2 ARG 17 lone 8 100 - 8 - HG LEU 64 - HD2 ARG 27 lone 7 100 - 7 - HG LEU 64 - HD3 ARG 27 lone 7 100 - 7 - HG LEU 64 - HD3 ARG 66 poor 7 42 - 18 - 2.1/5019=2, ~5019=2...(4) HG3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HG3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HG3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HG3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HG LEU 64 - HD2 ARG 66 poor 7 38 - 17 - 2.1/5019=2, ~5019=2...(4) HG LEU 62 - HD2 ARG 26 lone 5 67 - 8 - ~5958=1, 2.1/5958=1 HG LEU 62 - HD3 ARG 26 lone 5 66 - 8 - ~5958=1, 2.1/5958=1 HG3 ARG 23 - HD2 ARG 82 lone 5 85 - 6 - 5480/3.6=1 HG LEU 64 - HD2 ARG 26 lone 5 98 - 5 - HG LEU 64 - HD3 ARG 26 lone 5 97 - 5 - HB3 LEU 86 - HD3 ARG 17 lone 4 77 - 5 - HB3 LEU 86 - HD2 ARG 17 lone 4 77 - 5 - HB3 ARG 54 - HD2 ARG 82 lone 4 82 - 5 - 5480/3.6=1 HG3 ARG 23 - HD2 ARG 71 lone 4 71 - 5 - HG2 LYS 39 - HD3 ARG 84 lone 3 88 - 4 - HG3 ARG 23 - HD3 ARG 66 lone 3 42 - 8 - HG2 LYS 39 - HD2 ARG 84 lone 3 84 - 4 - HG3 ARG 23 - HD2 ARG 66 lone 3 38 - 8 - HB3 LEU 86 - HD2 ARG 26 lone 3 74 - 3 - HG2 LYS 39 - HD2 ARG 82 lone 3 82 - 3 - HB3 LEU 86 - HD3 ARG 26 lone 2 73 - 3 - HG2 ARG 82 - HD3 ARG 84 lone 2 81 - 3 - HG2 ARG 82 - HD2 ARG 84 lone 2 78 - 3 - HG2 ARG 82 - HD3 ARG 17 lone 2 93 - 2 - HG2 ARG 82 - HD2 ARG 17 lone 2 93 - 2 - HB3 LEU 86 - HD3 ARG 84 lone 2 65 - 3 - HG LEU 62 - HD3 ARG 23 lone 2 71 - 3 - HG LEU 62 - HD2 ARG 23 lone 2 71 - 3 - HB3 LEU 86 - HD2 ARG 84 lone 2 62 - 3 - HG3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 58 - 3 - HG LEU 62 - HD2 ARG 71 lone 2 43 - 4 - HB3 ARG 54 - HD2 ARG 23 lone 2 99 - 2 - HB3 ARG 54 - HD3 ARG 23 lone 2 99 - 2 - HG3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 55 - 3 - HG2 LYS 39 - HD2 ARG 27 lone 2 99 - 2 - HG2 LYS 39 - HD3 ARG 27 lone 2 99 - 2 - HG2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HG2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HG LEU 64 - HD2 ARG 71 lone 2 71 - 2 - HB3 LEU 86 - HD2 ARG 23 lone 1 78 - 2 - HB3 LEU 86 - HD3 ARG 23 lone 1 78 - 2 - HB3 ARG 54 - HD3 ARG 84 lone 1 88 - 2 - HG LEU 62 - HD2 ARG 17 lone 1 70 - 2 - HG LEU 62 - HD3 ARG 17 lone 1 70 - 2 - HG LEU 64 - HD3 ARG 84 lone 1 90 - 2 - HB3 LEU 86 - HD3 ARG 27 lone 1 77 - 2 - HB3 LEU 86 - HD2 ARG 27 lone 1 77 - 2 - HB3 ARG 54 - HD2 ARG 84 lone 1 84 - 2 - HG LEU 64 - HD2 ARG 84 lone 1 87 - 2 - HG2 ARG 82 - HD2 ARG 71 lone 1 62 - 2 - HG2 ARG 82 - HD3 ARG 27 lone 1 94 - 1 - HG2 ARG 82 - HD2 ARG 27 lone 1 94 - 1 - HG2 LYS 39 - HD2 ARG 71 lone 1 68 - 2 - HG2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HG2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB3 LEU 86 - HD2 ARG 71 lone 1 48 - 2 - HG LEU 62 - HD2 ARG 27 lone 1 70 - 2 - HG LEU 62 - HD3 ARG 27 lone 1 70 - 2 - HG2 ARG 82 - HD2 ARG 26 lone 1 91 - 1 - HG2 ARG 82 - HD3 ARG 26 lone 1 90 - 1 - HG LEU 62 - HD3 ARG 66 lone 1 24 - 5 - HG LEU 62 - HD2 ARG 66 lone 1 22 - 5 - HB3 ARG 54 - HD2 ARG 17 lone 1 98 - 1 - HB3 ARG 54 - HD3 ARG 17 lone 1 98 - 1 - HB3 ARG 54 - HD2 ARG 26 lone 1 96 - 1 - HB3 ARG 54 - HD3 ARG 26 lone 1 95 - 1 - HB3 ARG 54 - HD2 ARG 71 lone 1 68 - 1 - HB3 ARG 54 - HD3 ARG 27 lone 1 99 - 1 - HB3 ARG 54 - HD2 ARG 27 lone 1 99 - 1 - HB3 LEU 86 - HD3 ARG 66 lone 1 27 - 2 - HG2 LYS 39 - HD3 ARG 66 lone 1 40 - 1 - HB3 LEU 86 - HD2 ARG 66 lone 0 25 - 2 - HG2 LYS 39 - HD2 ARG 66 lone 0 37 - 1 - HG2 ARG 82 - HD3 ARG 66 lone 0 36 - 1 - HG2 ARG 82 - HD2 ARG 66 lone 0 33 - 1 - HB3 LEU 86 - HD2 ARG 82 lone 0 60 - 1 - HG LEU 62 - HD2 ARG 82 lone 0 53 - 1 - HB3 ARG 54 - HD3 ARG 66 lone 0 40 - 1 - HB3 ARG 54 - HD2 ARG 66 lone 0 37 - 1 - Peak 1306 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: * HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 17 + HD3 ARG 17 OK 99 99 - 100 HD2 ARG 17 + HD2 ARG 17 OK 99 99 - 100 HD2 ARG 26 + HD2 ARG 26 OK 95 95 - 100 HD3 ARG 26 + HD3 ARG 26 OK 93 93 - 100 HD3 ARG 84 + HD3 ARG 84 OK 77 77 - 100 HD2 ARG 84 + HD2 ARG 84 OK 70 70 - 100 HD2 ARG 82 + HD2 ARG 82 OK 69 69 - 100 HD2 ARG 71 - HD2 ARG 71 OK 43 43 - 100 HD3 ARG 66 - HD3 ARG 66 OK 27 27 - 100 HD2 ARG 66 - HD2 ARG 66 OK 23 23 - 100 Peak 1307 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 17 + HD3 ARG 17 OK 99 99 - 100 HD2 ARG 17 + HD2 ARG 17 OK 99 99 - 100 HD2 ARG 26 + HD2 ARG 26 OK 95 95 - 100 HD3 ARG 26 + HD3 ARG 26 OK 93 93 - 100 HD3 ARG 84 + HD3 ARG 84 OK 77 77 - 100 HD2 ARG 84 + HD2 ARG 84 OK 70 70 - 100 HD2 ARG 82 + HD2 ARG 82 OK 69 69 - 100 HD2 ARG 71 - HD2 ARG 71 OK 43 43 - 100 HD3 ARG 66 - HD3 ARG 66 OK 27 27 - 100 HD2 ARG 66 - HD2 ARG 66 OK 23 23 - 100 Reference assignment not found: HD3 ARG 23 - HD2 ARG 23 Peak 1309 from cnoeabs.peaks (4.13, 3.17, 43.10 ppm; 4.29 A): 6 out of 84 assignments used, quality = 1.00: HA ARG 23 + HD2 ARG 23 OK 84 100 - 84 - 5.2=56, 1285/2.9=23...(23) * HA ARG 23 + HD3 ARG 23 OK 84 100 - 84 - 5.2=56, 1285/2.9=23...(23) HA ARG 27 + HD2 ARG 27 OK 81 96 - 84 - 5.4=51, 1419/3.0=9...(37) HA ARG 27 + HD3 ARG 27 OK 81 96 - 84 - 5.4=51, 1419/3.0=9...(37) HA ARG 27 + HD2 ARG 26 OK 53 93 - 57 - 5345/6.1=7, ~65=4...(23) HA ARG 27 + HD3 ARG 26 OK 52 92 - 57 - 5345/6.1=7, ~65=4...(23) HA ARG 27 - HD2 ARG 23 OK 38 97 - 40 - 1285/2.9=9, 1293/2.9=5...(11) HA ARG 27 - HD3 ARG 23 OK 38 97 - 40 - 1285/2.9=9, 1293/2.9=5...(11) HA ARG 23 - HD2 ARG 27 OK 21 100 - 21 - 3.6/5300=3, 3.8/1290=2...(9) HA ARG 23 - HD3 ARG 27 OK 21 100 - 21 - 3.6/5300=3, 3.8/1290=2...(9) HA ARG 27 - HD3 ARG 17 OK 20 96 - 20 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD2 ARG 17 OK 20 96 - 20 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD2 ARG 71 OK 15 65 - 23 - ~65=3, 1418/3.0=2...(10) HA ALA 30 - HD2 ARG 26 OK 12 95 - 13 - ~4194=3, ~5537=2...(6) HA ALA 30 - HD3 ARG 26 OK 12 94 - 13 - ~4194=3, ~5537=2...(6) HA ARG 23 - HD2 ARG 26 OK 12 98 - 12 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD3 ARG 26 OK 12 97 - 12 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD2 ARG 17 lone 9 100 - 9 - HA ARG 23 - HD3 ARG 17 lone 9 100 - 9 - HA GLN 91 - HD2 ARG 26 lone 8 96 - 8 - 3661/3.5=2, 3661/3.5=2 HA GLN 91 - HD3 ARG 26 lone 8 95 - 8 - 3661/3.5=2, 3661/3.5=2 HA ALA 30 - HD3 ARG 23 lone 8 98 - 8 - 1285/2.9=2, 1293/2.9=1 HA ALA 30 - HD2 ARG 23 lone 8 98 - 8 - 1285/2.9=2, 1293/2.9=1 HA ALA 30 - HD2 ARG 27 lone 7 98 - 7 - 534/6.3=2, 5344/3.5=1 HA ALA 30 - HD3 ARG 27 lone 7 98 - 7 - 534/6.3=2, 5344/3.5=1 HA ARG 23 - HD2 ARG 71 lone 5 71 - 8 - HA ARG 23 - HD2 ARG 82 lone 5 85 - 6 - 1265/3.0=1, 1264/3.6=1 HB THR 88 - HD2 ARG 27 lone 5 99 - 5 - 534/6.3=1 HB THR 88 - HD3 ARG 27 lone 5 99 - 5 - 534/6.3=1 HA ARG 23 - HD3 ARG 66 poor 5 42 - 11 - HA ARG 27 - HD3 ARG 66 poor 5 37 - 12 - HB THR 88 - HD2 ARG 26 lone 4 96 - 4 - 3589/6.1=1 HB THR 88 - HD3 ARG 26 lone 4 95 - 4 - 3589/6.1=1 HA ARG 23 - HD2 ARG 66 poor 4 38 - 11 - HA ARG 27 - HD2 ARG 66 poor 4 35 - 12 - HA ARG 27 - HD3 ARG 84 lone 3 84 - 4 - HB THR 88 - HD3 ARG 23 lone 3 99 - 3 - HB THR 88 - HD2 ARG 23 lone 3 99 - 3 - HA ARG 27 - HD2 ARG 84 lone 3 80 - 4 - HB THR 88 - HD3 ARG 17 lone 3 98 - 3 - HB THR 88 - HD2 ARG 17 lone 3 98 - 3 - HA ALA 30 - HD2 ARG 71 lone 3 67 - 5 - ~4843=2 HA ASN 49 - HD3 ARG 23 lone 3 96 - 3 - HA ASN 49 - HD2 ARG 23 lone 3 96 - 3 - HA ALA 30 - HD3 ARG 66 lone 3 39 - 8 - ~4194=2, 4842/3.0=1 HA ARG 23 - HD3 ARG 84 lone 3 90 - 3 - HA ALA 30 - HD2 ARG 66 lone 3 36 - 8 - ~4194=2, 4842/3.0=1 HA ARG 23 - HD2 ARG 84 lone 2 87 - 3 - HA GLN 91 - HD3 ARG 23 lone 2 99 - 2 - HA GLN 91 - HD2 ARG 23 lone 2 99 - 2 - HA ALA 30 - HD3 ARG 84 lone 2 86 - 2 - HA ASN 49 - HD3 ARG 84 lone 2 83 - 3 - ~177=1 HA ALA 30 - HD2 ARG 84 lone 2 83 - 2 - HA GLN 91 - HD3 ARG 27 lone 2 99 - 2 - HA GLN 91 - HD2 ARG 27 lone 2 99 - 2 - HA ASN 49 - HD2 ARG 84 lone 2 79 - 2 - HA ARG 27 - HD2 ARG 82 lone 2 78 - 2 - HA ALA 30 - HD2 ARG 82 lone 2 80 - 2 - HA ALA 30 - HD3 ARG 17 lone 1 97 - 1 - HA ALA 30 - HD2 ARG 17 lone 1 97 - 1 - HA ASN 49 - HD3 ARG 27 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 27 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 26 lone 1 92 - 1 - HA ASN 49 - HD3 ARG 26 lone 1 91 - 1 - HB THR 88 - HD3 ARG 84 lone 1 88 - 1 - HA GLN 91 - HD2 ARG 82 lone 1 82 - 1 - HB THR 88 - HD2 ARG 84 lone 1 84 - 1 - HA GLN 91 - HD2 ARG 17 lone 1 98 - 1 - HA GLN 91 - HD3 ARG 17 lone 1 98 - 1 - HA ASN 49 - HD2 ARG 82 lone 1 77 - 1 - HA ASN 49 - HD3 ARG 17 lone 1 95 - 1 - HA ASN 49 - HD2 ARG 17 lone 1 95 - 1 - HB THR 88 - HD2 ARG 71 lone 1 68 - 1 - HB THR 88 - HD2 ARG 82 lone 1 82 - 1 - HA ASN 49 - HD2 ARG 71 lone 1 63 - 2 - HA GLN 91 - HD3 ARG 66 lone 1 40 - 3 - HA GLN 91 - HD3 ARG 84 lone 1 88 - 1 - HA GLN 91 - HD2 ARG 84 lone 1 84 - 1 - HA GLN 91 - HD2 ARG 66 lone 1 37 - 3 - HA GLN 91 - HD2 ARG 71 lone 1 68 - 1 - HB THR 88 - HD3 ARG 66 lone 0 40 - 1 - HB THR 88 - HD2 ARG 66 lone 0 37 - 1 - HA ASN 49 - HD3 ARG 66 lone 0 37 - 1 - HA ASN 49 - HD2 ARG 66 lone 0 34 - 1 - Peak 1310 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 11 out of 182 assignments used, quality = 1.00: * HB2 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 70 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 70 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 17 + HD2 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 71 + HD2 ARG 71 OK 45 69 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 - HD2 ARG 71 OK 45 68 - 65 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 31 95 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 95 - 23 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 71 - HD2 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB2 ARG 71 - HD3 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 21 98 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 21 98 - 22 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 17 - HD2 ARG 26 OK 15 96 - 16 - HB2 ARG 17 - HD3 ARG 26 OK 15 95 - 16 - HB2 ARG 66 - HD3 ARG 66 OK 13 19 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 66 - HD2 ARG 66 OK 12 18 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 17 - HD2 ARG 27 OK 12 99 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 12 99 - 12 - HB2 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 66 - HD2 ARG 26 OK 11 56 - 19 - HB2 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB2 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD3 ARG 17 OK 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 OK 10 98 - 10 - HB2 ARG 66 - HD3 ARG 26 OK 10 55 - 18 - HB2 ARG 17 - HD2 ARG 71 poor 9 68 - 13 - 2930/3.0=2 HB2 ARG 17 - HD2 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 84 lone 8 88 - 10 - HB2 ARG 71 - HD3 ARG 66 poor 8 40 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 8 40 - 21 - ~5167=1 HB2 ARG 17 - HD2 ARG 84 lone 8 84 - 10 - HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB2 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 84 lone 8 88 - 9 - HB3 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB2 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 7 84 - 9 - HB2 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 7 69 - 10 - 2930/3.0=1 HB2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 27 - HD2 ARG 71 lone 7 68 - 10 - 2930/3.0=1 HB2 LYS 39 - HD3 ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 99 - 6 - HB3 PRO 34 - HD2 ARG 26 lone 4 61 - 7 - HB3 PRO 34 - HD3 ARG 26 lone 4 61 - 7 - HB2 ARG 66 - HD2 ARG 71 poor 4 35 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 4 60 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 4 60 - 6 - HB2 LYS 73 - HD3 ARG 84 lone 4 60 - 6 - HB2 LYS 73 - HD2 ARG 84 lone 3 57 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 3 59 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 3 59 - 5 - HB2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 87 - 3 - HB2 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB3 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB3 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 LYS 39 - HD2 ARG 84 lone 3 83 - 3 - HB2 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB2 LYS 75 - HD3 ARG 23 lone 2 100 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 100 - 2 - HB3 PRO 34 - HD2 ARG 71 lone 2 39 - 6 - HB ILE 89 - HD3 ARG 84 lone 2 63 - 4 - HB ILE 89 - HD2 ARG 84 lone 2 59 - 4 - HB2 ARG 66 - HD3 ARG 17 lone 2 59 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 59 - 3 - HB ILE 89 - HD2 ARG 27 lone 2 75 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 75 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 88 - 2 - HB2 LYS 73 - HD2 ARG 71 lone 2 45 - 4 - HB2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 72 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 72 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 84 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 90 - 2 - HB2 LYS 75 - HD2 ARG 84 lone 1 86 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 81 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 70 - 2 - HB ILE 89 - HD3 ARG 17 lone 1 75 - 2 - HB ILE 89 - HD2 ARG 17 lone 1 75 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 73 - HD2 ARG 82 lone 1 55 - 2 - HB2 ARG 17 - HD3 ARG 66 lone 1 40 - 2 - HB ILE 89 - HD2 ARG 26 lone 1 72 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 37 - 2 - HB ILE 89 - HD2 ARG 23 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 98 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 98 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 73 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 73 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 99 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 99 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 68 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 69 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 82 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 68 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 82 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 65 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 65 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 65 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 65 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 84 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 100 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 100 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 53 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 73 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 73 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 50 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 49 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 1 98 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 1 97 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 57 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 0 64 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 0 64 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 39 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 46 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 36 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 49 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 46 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 0 22 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 20 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 41 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 44 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 38 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 25 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 23 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 26 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 24 - 0 - Peak 1311 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.88 A): 12 out of 182 assignments used, quality = 1.00: HB2 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB3 ARG 23 + HD2 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) * HB3 ARG 23 + HD3 ARG 23 OK 73 100 - 73 - 3.5=55, 1286/2.9=8...(17) HB2 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 71 99 - 71 - 3.5=54, 1448/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 17 + HD2 ARG 17 OK 70 98 - 71 - 3.6=52, 1159/3.0=4...(23) HB2 ARG 71 + HD2 ARG 71 OK 46 70 - 66 - 3.5=55, 1157/3.0=3...(12) HB3 ARG 71 + HD2 ARG 71 OK 45 69 - 65 - 3.5=55, 1157/3.0=3...(12) HB2 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 97 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 96 - 33 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 31 96 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD2 ARG 26 OK 22 97 - 23 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 96 - 23 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 23 OK 22 100 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 22 100 - 22 - 1287/2.9=2, ~1285=1, 1294/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 22 99 - 22 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 71 - HD2 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB2 ARG 71 - HD3 ARG 17 OK 21 99 - 22 - 1164/3.6=1, 2.8/2934=1...(4) HB3 ARG 71 - HD2 ARG 17 OK 21 99 - 21 - 2.8/2934=1, 1164/3.6=1...(4) HB3 ARG 71 - HD3 ARG 17 OK 21 99 - 21 - 2.8/2934=1, 1164/3.6=1...(4) HB2 ARG 17 - HD2 ARG 26 OK 15 96 - 16 - HB2 ARG 17 - HD3 ARG 26 OK 15 95 - 16 - HB2 ARG 66 - HD3 ARG 66 OK 14 20 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD2 ARG 27 OK 13 99 - 13 - HB3 ARG 71 - HD3 ARG 27 OK 13 99 - 13 - HB2 ARG 66 - HD2 ARG 66 OK 13 19 - 68 - 3.4=58, ~2701=3, ~2707=2...(13) HB2 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1290=1 HB2 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1290=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 71 - HD2 ARG 23 OK 12 100 - 12 - HB2 ARG 71 - HD3 ARG 23 OK 12 100 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 12 98 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 12 98 - 12 - HB3 ARG 71 - HD3 ARG 23 OK 12 99 - 12 - HB3 ARG 71 - HD2 ARG 23 OK 12 99 - 12 - HB2 ARG 66 - HD2 ARG 26 OK 11 59 - 19 - HB2 ARG 66 - HD3 ARG 26 OK 11 58 - 18 - HB2 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB2 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD3 ARG 17 OK 10 99 - 10 - HB3 ARG 27 - HD2 ARG 17 OK 10 99 - 10 - HB2 ARG 17 - HD2 ARG 71 poor 9 68 - 13 - 2930/3.0=2 HB2 ARG 17 - HD2 ARG 23 lone 9 99 - 9 - HB2 ARG 17 - HD3 ARG 23 lone 9 99 - 9 - HB2 ARG 71 - HD3 ARG 66 poor 9 41 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 poor 9 40 - 21 - ~5167=1 HB2 ARG 17 - HD3 ARG 84 lone 8 87 - 10 - HB2 ARG 17 - HD2 ARG 84 lone 8 83 - 10 - HB2 ARG 71 - HD2 ARG 66 poor 8 38 - 21 - ~5167=1 HB2 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD3 ARG 84 lone 8 89 - 9 - HB3 ARG 71 - HD2 ARG 66 poor 8 37 - 21 - ~5167=1 HB2 ARG 71 - HD2 ARG 84 lone 8 86 - 9 - HB3 ARG 71 - HD2 ARG 84 lone 8 85 - 9 - HB2 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB2 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HB3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 7 70 - 10 - 2930/3.0=1 HB3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HB2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HB3 ARG 27 - HD2 ARG 71 lone 7 69 - 10 - 2930/3.0=1 HB2 LYS 39 - HD3 ARG 23 lone 6 99 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 99 - 6 - HB3 PRO 34 - HD2 ARG 26 lone 4 64 - 7 - HB3 PRO 34 - HD3 ARG 26 lone 4 63 - 7 - HB2 ARG 66 - HD2 ARG 71 poor 4 37 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 4 63 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 4 63 - 6 - HB2 LYS 73 - HD3 ARG 84 lone 3 58 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 3 62 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 3 62 - 5 - HB2 LYS 73 - HD2 ARG 84 lone 3 55 - 6 - HB2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB3 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - HB2 LYS 39 - HD3 ARG 84 lone 3 88 - 3 - HB3 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 3 71 - 4 - HB2 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 LYS 39 - HD2 ARG 84 lone 3 84 - 3 - HB3 ARG 23 - HD3 ARG 66 lone 3 42 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 41 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 40 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 38 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 37 - 7 - HB3 PRO 34 - HD2 ARG 71 lone 2 41 - 6 - HB2 LYS 75 - HD2 ARG 23 lone 2 100 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 100 - 2 - HB ILE 89 - HD3 ARG 84 lone 2 60 - 3 - HB ILE 89 - HD2 ARG 84 lone 2 57 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 62 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 62 - 3 - HB2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HB ILE 89 - HD2 ARG 27 lone 2 73 - 2 - HB ILE 89 - HD3 ARG 27 lone 2 73 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 89 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 2 86 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 85 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HB2 LYS 73 - HD2 ARG 71 lone 2 43 - 4 - HB2 LYS 73 - HD3 ARG 17 lone 1 70 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 1 70 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 89 - 2 - HB2 LYS 75 - HD2 ARG 84 lone 1 86 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 82 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 70 - 2 - HB ILE 89 - HD2 ARG 17 lone 1 72 - 2 - HB ILE 89 - HD3 ARG 17 lone 1 72 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 83 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 39 - 2 - HB2 LYS 73 - HD2 ARG 82 lone 1 53 - 2 - HB2 LYS 39 - HD3 ARG 27 lone 1 99 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 99 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 36 - 2 - HB2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 69 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 73 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 73 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 68 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 99 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 99 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 68 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 81 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 66 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 67 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 83 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 67 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 67 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 68 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 68 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 83 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 56 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 51 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 53 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 96 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 70 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 70 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 67 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 67 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 55 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 40 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 37 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 45 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 51 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 0 23 - 2 - HB2 ARG 66 - HD2 ARG 84 lone 0 48 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 21 - 2 - HB2 ARG 66 - HD2 ARG 82 lone 0 47 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 41 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 38 - 1 - HB2 LYS 73 - HD3 ARG 66 lone 0 24 - 1 - HB2 LYS 73 - HD2 ARG 66 lone 0 22 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 25 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 23 - 0 - Peak 1312 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 2.95 A): 2 out of 154 assignments used, quality = 1.00: HG2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 2.9=100 * HG2 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 2.9=100 HB2 ARG 82 - HD2 ARG 82 OK 33 55 - 60 - 3.6=53, ~5479=4...(6) HG3 ARG 66 - HD3 ARG 66 OK 24 24 - 100 - 3.0=100 HG3 ARG 66 - HD2 ARG 66 OK 22 22 - 100 - 3.0=100 HB3 LEU 64 - HD3 ARG 23 OK 15 65 - 23 - 3.1/5019=3, 2630/2.9=2...(8) HB3 LEU 64 - HD2 ARG 23 OK 15 65 - 23 - 3.1/5019=3, 2630/2.9=2...(8) HG2 ARG 23 - HD3 ARG 27 OK 15 100 - 15 - 1290=2, 1285/5.4=2...(5) HG2 ARG 23 - HD2 ARG 27 OK 15 100 - 15 - 1290=2, 1285/5.4=2...(5) HG3 ARG 66 - HD2 ARG 26 OK 14 67 - 22 - 2708/3.5=1, 2708/3.5=1...(5) HG3 ARG 66 - HD3 ARG 26 OK 14 66 - 21 - 2708/3.5=1, 2708/3.5=1...(5) HG LEU 29 - HD3 ARG 84 lone 7 90 - 8 - 1499/3.5=2, 1500/2.9=1 HB2 ARG 82 - HD3 ARG 23 lone 7 73 - 10 - 5480/2.9=1, 5889/1.8=1 HB2 ARG 82 - HD2 ARG 23 lone 7 73 - 10 - 5480/2.9=1, 5889/1.8=1 HG LEU 29 - HD2 ARG 84 lone 7 86 - 8 - 1499/3.5=2, 1500/2.9=1 HG2 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HG2 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HG2 ARG 23 - HD3 ARG 17 lone 6 100 - 6 - HG2 ARG 23 - HD2 ARG 17 lone 6 100 - 6 - HG3 ARG 66 - HD2 ARG 23 lone 5 71 - 7 - HG3 ARG 66 - HD3 ARG 23 lone 5 71 - 7 - HG3 ARG 66 - HD2 ARG 71 poor 5 43 - 11 - HG3 ARG 66 - HD2 ARG 27 lone 4 70 - 6 - HG3 ARG 66 - HD3 ARG 27 lone 4 70 - 6 - HG LEU 29 - HD2 ARG 26 lone 4 98 - 4 - HB3 LEU 64 - HD3 ARG 17 lone 4 64 - 7 - HB3 LEU 64 - HD2 ARG 17 lone 4 64 - 7 - HG LEU 29 - HD3 ARG 26 lone 4 97 - 4 - HG2 ARG 23 - HD2 ARG 71 lone 4 71 - 5 - HB3 LEU 64 - HD2 ARG 82 lone 4 49 - 7 - 2630/3.0=1 HB3 LEU 64 - HD2 ARG 27 lone 3 65 - 5 - HB3 LEU 64 - HD3 ARG 27 lone 3 65 - 5 - HG2 ARG 23 - HD2 ARG 82 lone 3 85 - 4 - 1289/3.0=1 HB3 LEU 64 - HD3 ARG 66 poor 3 22 - 16 - 3.1/5019=2, ~5019=1 HG2 ARG 23 - HD3 ARG 66 lone 3 42 - 8 - HB3 LEU 64 - HD2 ARG 66 poor 3 20 - 16 - 3.1/5019=2, ~5019=1 HG2 ARG 23 - HD2 ARG 66 lone 3 38 - 8 - HG LEU 29 - HD3 ARG 66 lone 3 41 - 7 - HB3 GLN 61 - HD2 ARG 23 lone 3 97 - 3 - HB3 GLN 61 - HD3 ARG 23 lone 3 97 - 3 - HG LEU 29 - HD2 ARG 66 lone 3 38 - 7 - HG LEU 29 - HD3 ARG 23 lone 2 100 - 2 - HG LEU 29 - HD2 ARG 23 lone 2 100 - 2 - HB3 LEU 64 - HD2 ARG 26 lone 2 61 - 4 - HB3 LEU 64 - HD3 ARG 26 lone 2 61 - 4 - HG LEU 29 - HD2 ARG 82 lone 2 84 - 3 - HB2 ARG 82 - HD3 ARG 84 lone 2 60 - 4 - HG LEU 29 - HD2 ARG 71 lone 2 70 - 3 - HD2 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HD3 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HD3 LYS 75 - HD3 ARG 23 lone 2 99 - 2 - HD2 LYS 75 - HD2 ARG 23 lone 2 99 - 2 - HG3 ARG 66 - HD3 ARG 17 lone 2 70 - 3 - HG3 ARG 66 - HD2 ARG 17 lone 2 70 - 3 - HB2 ARG 82 - HD2 ARG 84 lone 2 57 - 4 - HG2 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HG LEU 29 - HD2 ARG 27 lone 2 100 - 2 - HG LEU 29 - HD3 ARG 27 lone 2 100 - 2 - HB2 ARG 82 - HD3 ARG 17 lone 2 72 - 2 - HB2 ARG 82 - HD2 ARG 17 lone 2 72 - 2 - HG2 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HD2 LYS 13 - HD3 ARG 23 lone 2 100 - 1 - HD3 LYS 13 - HD3 ARG 23 lone 2 100 - 1 - HD3 LYS 13 - HD2 ARG 23 lone 2 100 - 1 - HD2 LYS 13 - HD2 ARG 23 lone 2 100 - 1 - HB3 LYS 13 - HD3 ARG 23 lone 1 97 - 1 - HB3 LYS 13 - HD2 ARG 23 lone 1 97 - 1 - HG LEU 29 - HD2 ARG 17 lone 1 99 - 1 - HG LEU 29 - HD3 ARG 17 lone 1 99 - 1 - HB2 ARG 82 - HD2 ARG 27 lone 1 73 - 1 - HB2 ARG 82 - HD3 ARG 27 lone 1 73 - 1 - HB2 ARG 82 - HD2 ARG 71 lone 1 45 - 2 - HB3 GLN 61 - HD3 ARG 27 lone 1 96 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 1 96 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 1 37 - 2 - HB3 LYS 13 - HD3 ARG 84 lone 1 84 - 1 - HB2 ARG 82 - HD2 ARG 26 lone 1 69 - 1 - HB2 ARG 82 - HD3 ARG 26 lone 1 68 - 1 - HB3 LYS 13 - HD2 ARG 84 lone 1 80 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 1 35 - 2 - HB3 LYS 13 - HD2 ARG 82 lone 1 78 - 1 - HB3 LEU 64 - HD3 ARG 84 lone 1 53 - 1 - HD3 LYS 75 - HD2 ARG 71 lone 1 69 - 1 - HD2 LYS 75 - HD2 ARG 71 lone 1 69 - 1 - HD2 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HD2 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HD3 LYS 75 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 75 - HD3 ARG 27 lone 1 99 - 1 - HB3 LEU 64 - HD2 ARG 84 lone 1 50 - 1 - HD2 LYS 13 - HD3 ARG 27 lone 1 99 - 1 - HD2 LYS 13 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 13 - HD2 ARG 27 lone 1 99 - 1 - HD3 LYS 13 - HD3 ARG 27 lone 1 99 - 1 - HB3 LYS 13 - HD3 ARG 27 lone 1 96 - 1 - HB3 LYS 13 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 75 - HD3 ARG 84 lone 1 89 - 1 - HD2 LYS 75 - HD3 ARG 84 lone 1 89 - 1 - HD3 LYS 75 - HD2 ARG 84 lone 1 85 - 1 - HD2 LYS 75 - HD2 ARG 84 lone 1 85 - 1 - HB3 LYS 13 - HD2 ARG 26 lone 1 93 - 1 - HB3 LYS 13 - HD3 ARG 26 lone 1 92 - 1 - HB3 LEU 64 - HD2 ARG 71 lone 1 39 - 1 - HD3 LYS 13 - HD3 ARG 84 lone 0 89 - 1 - HD2 LYS 13 - HD3 ARG 84 lone 0 89 - 1 - HB3 LYS 13 - HD2 ARG 17 lone 0 96 - 0 - HB3 LYS 13 - HD3 ARG 17 lone 0 96 - 0 - HD2 LYS 75 - HD3 ARG 17 lone 0 99 - 0 - HD2 LYS 75 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 75 - HD3 ARG 17 lone 0 99 - 0 - HD3 LYS 75 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD2 ARG 84 lone 0 86 - 1 - HD2 LYS 13 - HD2 ARG 84 lone 0 86 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 93 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 92 - 0 - HD3 LYS 13 - HD2 ARG 82 lone 0 83 - 1 - HD2 LYS 13 - HD2 ARG 82 lone 0 83 - 1 - HD2 LYS 13 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 13 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 13 - HD3 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD2 ARG 17 lone 0 99 - 0 - HD2 LYS 13 - HD3 ARG 17 lone 0 99 - 0 - HD2 LYS 13 - HD2 ARG 17 lone 0 99 - 0 - HD3 LYS 13 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 13 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 75 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 75 - HD2 ARG 26 lone 0 97 - 0 - HD3 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HD2 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 96 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 96 - 0 - HD2 LYS 75 - HD2 ARG 82 lone 0 83 - 0 - HD3 LYS 75 - HD2 ARG 82 lone 0 83 - 0 - HB3 LYS 13 - HD2 ARG 71 lone 0 65 - 1 - HD3 LYS 13 - HD2 ARG 71 lone 0 70 - 1 - HD2 LYS 13 - HD2 ARG 71 lone 0 70 - 1 - HG3 ARG 66 - HD3 ARG 84 lone 0 58 - 1 - HB3 LYS 13 - HD3 ARG 66 lone 0 37 - 1 - HG3 ARG 66 - HD2 ARG 84 lone 0 55 - 1 - HB3 LYS 13 - HD2 ARG 66 lone 0 35 - 1 - HG3 ARG 66 - HD2 ARG 82 lone 0 53 - 1 - HB3 GLN 61 - HD3 ARG 84 lone 0 84 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 78 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 80 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 65 - 0 - HB2 ARG 82 - HD3 ARG 66 lone 0 25 - 1 - HB2 ARG 82 - HD2 ARG 66 lone 0 23 - 1 - HD2 LYS 13 - HD3 ARG 66 lone 0 41 - 0 - HD3 LYS 13 - HD3 ARG 66 lone 0 41 - 0 - HD2 LYS 13 - HD2 ARG 66 lone 0 38 - 0 - HD3 LYS 13 - HD2 ARG 66 lone 0 38 - 0 - HD2 LYS 75 - HD3 ARG 66 lone 0 40 - 0 - HD3 LYS 75 - HD3 ARG 66 lone 0 40 - 0 - HD3 LYS 75 - HD2 ARG 66 lone 0 37 - 0 - HD2 LYS 75 - HD2 ARG 66 lone 0 37 - 0 - Peak 1313 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 2.92 A): 3 out of 98 assignments used, quality = 1.00: HG3 ARG 23 + HD2 ARG 23 OK 99 100 - 99 - 2.9=99 * HG3 ARG 23 + HD3 ARG 23 OK 99 100 - 99 - 2.9=99 HG2 ARG 82 + HD2 ARG 82 OK 71 76 - 94 - 3.0=92, 5479/3.6=6...(7) HG LEU 64 - HD2 ARG 23 OK 28 100 - 28 - 1289/2.9=4, 2.1/5019=3...(14) HG LEU 64 - HD3 ARG 23 OK 28 100 - 28 - 1289/2.9=4, 2.1/5019=3...(14) HG3 ARG 23 - HD3 ARG 27 OK 14 100 - 14 - 1.8/1291=2, 1299=1, 1293/5.4=1 HG3 ARG 23 - HD2 ARG 27 OK 14 100 - 14 - 1.8/1291=2, 1299=1, 1293/5.4=1 HG2 LYS 39 - HD3 ARG 23 lone 9 99 - 9 - 1289/2.9=1, 1864/3.5=1 HG2 LYS 39 - HD2 ARG 23 lone 9 99 - 9 - 1289/2.9=1, 1864/3.5=1 HG LEU 64 - HD2 ARG 82 poor 9 85 - 10 - 5480/3.6=2, 5479/3.6=1 HG2 ARG 82 - HD3 ARG 23 lone 8 95 - 9 - 1289/2.9=1 HG2 ARG 82 - HD2 ARG 23 lone 8 95 - 9 - 1289/2.9=1 HG LEU 64 - HD3 ARG 17 lone 8 100 - 8 - HG LEU 64 - HD2 ARG 17 lone 8 100 - 8 - HG LEU 64 - HD2 ARG 27 lone 7 100 - 7 - HG LEU 64 - HD3 ARG 27 lone 7 100 - 7 - HG LEU 64 - HD3 ARG 66 poor 7 42 - 18 - 2.1/5019=2, ~5019=2...(4) HG3 ARG 23 - HD3 ARG 17 lone 7 100 - 7 - HG3 ARG 23 - HD2 ARG 17 lone 7 100 - 7 - HG3 ARG 23 - HD2 ARG 26 lone 7 98 - 7 - HG3 ARG 23 - HD3 ARG 26 lone 7 97 - 7 - HG LEU 64 - HD2 ARG 66 poor 7 38 - 17 - 2.1/5019=2, ~5019=2...(4) HG LEU 62 - HD2 ARG 26 lone 5 67 - 8 - ~5958=1, 2.1/5958=1 HG LEU 62 - HD3 ARG 26 lone 5 66 - 8 - ~5958=1, 2.1/5958=1 HG3 ARG 23 - HD2 ARG 82 lone 5 85 - 6 - 5480/3.6=1 HG LEU 64 - HD2 ARG 26 lone 5 98 - 5 - HG LEU 64 - HD3 ARG 26 lone 5 97 - 5 - HB3 LEU 86 - HD3 ARG 17 lone 4 77 - 5 - HB3 LEU 86 - HD2 ARG 17 lone 4 77 - 5 - HB3 ARG 54 - HD2 ARG 82 lone 4 82 - 5 - 5480/3.6=1 HG3 ARG 23 - HD2 ARG 71 lone 4 71 - 5 - HG2 LYS 39 - HD3 ARG 84 lone 3 88 - 4 - HG3 ARG 23 - HD3 ARG 66 lone 3 42 - 8 - HG2 LYS 39 - HD2 ARG 84 lone 3 84 - 4 - HG3 ARG 23 - HD2 ARG 66 lone 3 38 - 8 - HB3 LEU 86 - HD2 ARG 26 lone 3 74 - 3 - HG2 LYS 39 - HD2 ARG 82 lone 3 82 - 3 - HB3 LEU 86 - HD3 ARG 26 lone 2 73 - 3 - HG2 ARG 82 - HD3 ARG 84 lone 2 81 - 3 - HG2 ARG 82 - HD2 ARG 84 lone 2 78 - 3 - HG2 ARG 82 - HD3 ARG 17 lone 2 93 - 2 - HG2 ARG 82 - HD2 ARG 17 lone 2 93 - 2 - HB3 LEU 86 - HD3 ARG 84 lone 2 65 - 3 - HG LEU 62 - HD3 ARG 23 lone 2 71 - 3 - HG LEU 62 - HD2 ARG 23 lone 2 71 - 3 - HB3 LEU 86 - HD2 ARG 84 lone 2 62 - 3 - HG3 ARG 23 - HD3 ARG 84 lone 2 90 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 58 - 3 - HG LEU 62 - HD2 ARG 71 lone 2 43 - 4 - HB3 ARG 54 - HD2 ARG 23 lone 2 99 - 2 - HB3 ARG 54 - HD3 ARG 23 lone 2 99 - 2 - HG3 ARG 23 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 55 - 3 - HG2 LYS 39 - HD2 ARG 27 lone 2 99 - 2 - HG2 LYS 39 - HD3 ARG 27 lone 2 99 - 2 - HG2 LYS 39 - HD2 ARG 17 lone 2 98 - 2 - HG2 LYS 39 - HD3 ARG 17 lone 2 98 - 2 - HG LEU 64 - HD2 ARG 71 lone 2 71 - 2 - HB3 LEU 86 - HD2 ARG 23 lone 1 78 - 2 - HB3 LEU 86 - HD3 ARG 23 lone 1 78 - 2 - HB3 ARG 54 - HD3 ARG 84 lone 1 88 - 2 - HG LEU 62 - HD2 ARG 17 lone 1 70 - 2 - HG LEU 62 - HD3 ARG 17 lone 1 70 - 2 - HG LEU 64 - HD3 ARG 84 lone 1 90 - 2 - HB3 LEU 86 - HD3 ARG 27 lone 1 77 - 2 - HB3 LEU 86 - HD2 ARG 27 lone 1 77 - 2 - HB3 ARG 54 - HD2 ARG 84 lone 1 84 - 2 - HG LEU 64 - HD2 ARG 84 lone 1 87 - 2 - HG2 ARG 82 - HD2 ARG 71 lone 1 62 - 2 - HG2 ARG 82 - HD3 ARG 27 lone 1 94 - 1 - HG2 ARG 82 - HD2 ARG 27 lone 1 94 - 1 - HG2 LYS 39 - HD2 ARG 71 lone 1 68 - 2 - HG2 LYS 39 - HD2 ARG 26 lone 1 96 - 1 - HG2 LYS 39 - HD3 ARG 26 lone 1 95 - 1 - HB3 LEU 86 - HD2 ARG 71 lone 1 48 - 2 - HG LEU 62 - HD2 ARG 27 lone 1 70 - 2 - HG LEU 62 - HD3 ARG 27 lone 1 70 - 2 - HG2 ARG 82 - HD2 ARG 26 lone 1 91 - 1 - HG2 ARG 82 - HD3 ARG 26 lone 1 90 - 1 - HG LEU 62 - HD3 ARG 66 lone 1 24 - 5 - HG LEU 62 - HD2 ARG 66 lone 1 22 - 5 - HB3 ARG 54 - HD2 ARG 17 lone 1 98 - 1 - HB3 ARG 54 - HD3 ARG 17 lone 1 98 - 1 - HB3 ARG 54 - HD2 ARG 26 lone 1 96 - 1 - HB3 ARG 54 - HD3 ARG 26 lone 1 95 - 1 - HB3 ARG 54 - HD2 ARG 71 lone 1 68 - 1 - HB3 ARG 54 - HD3 ARG 27 lone 1 99 - 1 - HB3 ARG 54 - HD2 ARG 27 lone 1 99 - 1 - HB3 LEU 86 - HD3 ARG 66 lone 1 27 - 2 - HG2 LYS 39 - HD3 ARG 66 lone 1 40 - 1 - HB3 LEU 86 - HD2 ARG 66 lone 0 25 - 2 - HG2 LYS 39 - HD2 ARG 66 lone 0 37 - 1 - HG2 ARG 82 - HD3 ARG 66 lone 0 36 - 1 - HG2 ARG 82 - HD2 ARG 66 lone 0 33 - 1 - HB3 LEU 86 - HD2 ARG 82 lone 0 60 - 1 - HG LEU 62 - HD2 ARG 82 lone 0 53 - 1 - HB3 ARG 54 - HD3 ARG 66 lone 0 40 - 1 - HB3 ARG 54 - HD2 ARG 66 lone 0 37 - 1 - Peak 1314 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 17 + HD3 ARG 17 OK 99 99 - 100 HD2 ARG 17 + HD2 ARG 17 OK 99 99 - 100 HD2 ARG 26 + HD2 ARG 26 OK 95 95 - 100 HD3 ARG 26 + HD3 ARG 26 OK 93 93 - 100 HD3 ARG 84 + HD3 ARG 84 OK 77 77 - 100 HD2 ARG 84 + HD2 ARG 84 OK 70 70 - 100 HD2 ARG 82 + HD2 ARG 82 OK 69 69 - 100 HD2 ARG 71 - HD2 ARG 71 OK 43 43 - 100 HD3 ARG 66 - HD3 ARG 66 OK 27 27 - 100 HD2 ARG 66 - HD2 ARG 66 OK 23 23 - 100 Reference assignment not found: HD2 ARG 23 - HD3 ARG 23 Peak 1315 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 * HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 17 + HD3 ARG 17 OK 99 99 - 100 HD2 ARG 17 + HD2 ARG 17 OK 99 99 - 100 HD2 ARG 26 + HD2 ARG 26 OK 95 95 - 100 HD3 ARG 26 + HD3 ARG 26 OK 93 93 - 100 HD3 ARG 84 + HD3 ARG 84 OK 77 77 - 100 HD2 ARG 84 + HD2 ARG 84 OK 70 70 - 100 HD2 ARG 82 + HD2 ARG 82 OK 69 69 - 100 HD2 ARG 71 - HD2 ARG 71 OK 43 43 - 100 HD3 ARG 66 - HD3 ARG 66 OK 27 27 - 100 HD2 ARG 66 - HD2 ARG 66 OK 23 23 - 100 Peak 1317 from cnoeabs.peaks (4.49, 4.49, 56.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 24 + HA ASP 24 OK 100 100 - 100 Peak 1318 from cnoeabs.peaks (2.56, 4.49, 56.18 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 24 + HA ASP 24 OK 100 100 - 100 - 3.0=100 HB3 ASP 46 - HA ASP 24 OK 36 99 - 36 - 2122=8, 1.8/2118=6...(12) HB2 GLN 61 - HA ASP 24 poor 7 63 - 11 - 1326/3.0=1, ~2544=1...(4) Peak 1319 from cnoeabs.peaks (2.59, 4.49, 56.18 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 24 + HA ASP 24 OK 100 100 - 100 - 3.0=100 HB3 ASP 47 - HA ASP 24 OK 28 100 - 28 - 518/3.0=4, 1323/3.0=4...(10) HG2 GLN 61 - HA ASP 24 OK 14 95 - 15 - 518/3.0=2, 1323/3.0=2...(4) Peak 1320 from cnoeabs.peaks (8.34, 2.56, 40.55 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 24 + HB2 ASP 24 OK 100 100 - 100 - 4.0=100 H GLU 19 - HB2 ASP 24 lone 7 93 - 8 - 50/4.5=3, 5385/3.0=2 H ALA 16 - HB2 ASP 24 lone 7 90 - 8 - 50/4.5=3, 5385/3.0=2 H LYS 83 - HB2 ASP 24 lone 3 73 - 4 - 5385/3.0=1 Peak 1321 from cnoeabs.peaks (4.49, 2.56, 40.55 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 24 + HB2 ASP 24 OK 100 100 - 100 - 3.0=100 HA ASP 46 + HB2 ASP 24 OK 45 99 - 46 - 2116=11, 3.6/170=8...(12) HA ASP 67 - HB2 ASP 24 lone 9 97 - 9 - 2116=2, 516/4.0=1, 51/4.5=1 HA TYR 81 - HB2 ASP 24 lone 2 65 - 3 - Peak 1322 from cnoeabs.peaks (2.56, 2.56, 40.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 24 + HB2 ASP 24 OK 100 100 - 100 Peak 1323 from cnoeabs.peaks (2.59, 2.56, 40.55 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 24 + HB2 ASP 24 OK 100 100 - 100 - 1.8=100 HB3 ASP 47 - HB2 ASP 24 OK 17 100 - 17 - 1319/3.0=3, ~2132=3...(9) HG2 GLN 61 - HB2 ASP 24 lone 9 95 - 9 - 1319/3.0=2, ~2560=1 Peak 1324 from cnoeabs.peaks (8.34, 2.59, 40.55 ppm; 4.87 A): 1 out of 8 assignments used, quality = 1.00: * H ASP 24 + HB3 ASP 24 OK 100 100 - 100 - 4.0=100 H ASP 24 - HB3 ASP 47 OK 20 60 - 33 - 3.0/1319=9, 518=9...(5) H GLU 19 - HB3 ASP 24 lone 8 93 - 9 - 50/4.5=3, 5385/3.0=2 H ALA 16 - HB3 ASP 24 lone 8 90 - 8 - 50/4.5=3, 5385/3.0=3 H LYS 83 - HB3 ASP 24 lone 3 73 - 4 - 5385/3.0=1, 50/4.5=1 H GLU 19 - HB3 ASP 47 lone 2 51 - 3 - H ALA 16 - HB3 ASP 47 lone 1 48 - 2 - H LYS 83 - HB3 ASP 47 lone 1 37 - 2 - Peak 1325 from cnoeabs.peaks (4.49, 2.59, 40.55 ppm; 3.89 A): 1 out of 8 assignments used, quality = 1.00: * HA ASP 24 + HB3 ASP 24 OK 100 100 - 100 - 3.0=100 HA ASP 46 - HB3 ASP 24 OK 42 99 - 42 - 2116/1.8=9, 3.6/638=7...(11) HA ASP 24 - HB3 ASP 47 OK 24 60 - 40 - 1319=10, 3.0/518=6...(10) HA ASP 46 - HB3 ASP 47 OK 24 58 - 41 - 3.6/638=20, 5661/1.8=7...(7) HA ASP 67 - HB3 ASP 24 lone 8 97 - 8 - 2116/1.8=2, 516/4.0=1, 51/4.5=1 HA ASP 67 - HB3 ASP 47 lone 5 55 - 8 - 3838/4.1=4, 2113/4.3=2 HA TYR 81 - HB3 ASP 24 lone 2 65 - 2 - HA TYR 81 - HB3 ASP 47 lone 0 32 - 1 - Peak 1326 from cnoeabs.peaks (2.56, 2.59, 40.55 ppm; 2.52 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ASP 24 + HB3 ASP 24 OK 100 100 - 100 - 1.8=100 HB3 ASP 46 - HB3 ASP 24 OK 17 99 - 17 - 1318/3.0=4, 3.0/1325=2...(9) HB2 ASP 24 - HB3 ASP 47 poor 10 60 - 16 - 3.0/1319=3, ~2132=3...(9) HB3 ASP 46 - HB3 ASP 47 poor 7 57 - 11 - 170/4.1=6, 2121/4.3=2...(4) HB2 GLN 61 - HB3 ASP 24 lone 6 63 - 10 - 3.0/2560=1, 1.8/2544=1 HB2 GLN 61 - HB3 ASP 47 lone 2 31 - 6 - Peak 1327 from cnoeabs.peaks (2.59, 2.59, 40.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 24 + HB3 ASP 24 OK 100 100 - 100 HB3 ASP 47 + HB3 ASP 47 OK 60 60 - 100 Peak 1328 from cnoeabs.peaks (8.20, 4.09, 58.48 ppm; 3.41 A): 3 out of 36 assignments used, quality = 1.00: * H GLU 25 + HA GLU 25 OK 100 100 - 100 - 2.9=100 H ARG 27 + HA ARG 26 OK 48 53 - 92 - 3.6=87, 5380/3.0=13...(10) H ALA 28 + HA ARG 27 OK 45 50 - 91 - 3.6=87, 2.9/4181=7...(8) H ALA 28 - HA GLU 25 OK 39 96 - 41 - 5347=9, 2.9/4181=9...(15) H ARG 27 - HA ARG 27 OK 36 36 - 100 - 3.0=100 H GLU 25 - HA ARG 26 OK 34 79 - 44 - 904/3.0=16, 520=9...(11) H ARG 27 - HA GLU 25 OK 23 76 - 30 - 5380/3.6=11, 61=4...(7) H ALA 28 - HA ARG 26 OK 18 71 - 25 - 2.9/4181=5, 54/3.0=5...(8) H GLU 25 - HA ARG 71 OK 17 93 - 18 - 520=4, 904/2.9=2...(6) H SER 22 - HA GLU 25 OK 16 97 - 17 - 4152/3.0=4, 4152/3.0=4...(7) H ALA 28 - HA ARG 71 OK 16 86 - 18 - 5347=4, 2.9/4181=3...(6) H ARG 27 - HA ARG 71 OK 15 65 - 23 - 61=4, 5380/2.9=3...(8) H GLU 25 - HA ARG 27 OK 14 56 - 25 - 520=5, 5511/5.0=4, ~61=2...(11) H THR 15 - HA GLU 25 OK 10 100 - 10 - 11/4.1=2, 11/4.1=1...(4) H ARG 84 - HA ARG 71 lone 6 93 - 6 - 5347=1 H ARG 84 - HA GLU 25 lone 5 100 - 5 - 5347=1 H ARG 84 - HA ARG 26 lone 4 79 - 6 - H ILE 89 - HA GLU 25 lone 4 63 - 6 - H THR 15 - HA ARG 26 lone 4 78 - 5 - H ALA 77 - HA GLU 25 lone 4 71 - 5 - H ILE 89 - HA ARG 27 poor 4 28 - 13 - 409=2, 3.5/3587=2...(6) H ARG 84 - HA ARG 27 lone 3 56 - 5 - H GLN 79 - HA GLU 25 lone 2 92 - 2 - H SER 22 - HA ARG 26 lone 2 74 - 3 - 54/3.0=1 H SER 22 - HA ARG 27 lone 2 51 - 4 - H SER 22 - HA ARG 71 lone 2 88 - 2 - H ILE 89 - HA ARG 26 lone 2 43 - 4 - H ALA 77 - HA ARG 71 lone 2 61 - 3 - H ILE 89 - HA ARG 71 lone 2 53 - 3 - H THR 15 - HA ARG 71 lone 2 92 - 2 - H THR 15 - HA ARG 27 lone 2 55 - 3 - H ALA 77 - HA ARG 26 lone 1 49 - 3 - H GLN 79 - HA ARG 71 lone 1 81 - 1 - H GLN 79 - HA ARG 26 lone 1 67 - 1 - H ALA 77 - HA ARG 27 lone 1 33 - 3 - H GLN 79 - HA ARG 27 lone 1 46 - 1 - Peak 1329 from cnoeabs.peaks (4.09, 4.09, 58.48 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA GLU 25 + HA GLU 25 OK 100 100 - 100 HA ARG 71 + HA ARG 71 OK 84 84 - 100 HA ARG 26 + HA ARG 26 OK 59 59 - 100 HA ARG 27 - HA ARG 27 OK 30 30 - 100 Peak 1330 from cnoeabs.peaks (2.05, 4.09, 58.48 ppm; 3.04 A): 2 out of 60 assignments used, quality = 1.00: * HB2 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB3 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB2 GLU 25 - HA ARG 26 OK 40 79 - 51 - 57/3.0=7, 1341=5...(22) HB3 GLU 25 - HA ARG 26 OK 40 79 - 51 - 57/3.0=7, 1341=5...(22) HB3 GLU 25 - HA ARG 27 OK 13 56 - 23 - 5522/3.0=2, ~5522=2...(11) HB2 GLU 25 - HA ARG 27 OK 13 56 - 23 - 5522/3.0=2, ~5522=2...(11) HB2 GLU 25 - HA ARG 71 OK 12 93 - 13 - 1341=2, 4.0/520=1...(6) HB3 GLU 25 - HA ARG 71 OK 12 93 - 13 - 1341=2, 4.0/520=1...(6) HB3 GLU 19 - HA GLU 25 lone 7 92 - 7 - HG2 PRO 44 - HA GLU 25 lone 4 99 - 4 - ~5085=1 HB2 GLU 50 - HA GLU 25 lone 4 95 - 4 - HB3 GLU 50 - HA GLU 25 lone 4 95 - 4 - HB3 GLN 91 - HA ARG 26 lone 4 70 - 5 - 3.6/419=1 HB3 MET 31 - HA GLU 25 lone 4 89 - 4 - HB3 GLN 91 - HA GLU 25 lone 3 95 - 3 - 3.6/419=1 HB3 MET 31 - HA ARG 27 lone 3 44 - 7 - 5531/5.0=2, 5527/3.6=2 HB3 GLU 19 - HA ARG 26 lone 3 67 - 4 - HB VAL 76 - HA GLU 25 lone 3 98 - 3 - HB3 PRO 56 - HA GLU 25 lone 3 78 - 3 - HG2 PRO 56 - HA GLU 25 lone 3 90 - 3 - HB VAL 76 - HA ARG 71 lone 2 89 - 3 - HB2 GLU 87 - HA ARG 26 lone 2 55 - 3 - HB2 GLU 50 - HA ARG 26 lone 2 70 - 3 - HB3 GLU 50 - HA ARG 26 lone 2 70 - 3 - HG2 PRO 56 - HA ARG 26 lone 2 66 - 2 - HB3 MET 31 - HA ARG 71 lone 2 78 - 2 - HB3 MET 31 - HA ARG 26 lone 2 64 - 2 - HB VAL 76 - HA ARG 27 lone 2 52 - 3 - 3985/3.6=1 HB2 GLU 87 - HA GLU 25 lone 2 78 - 2 - HB3 PRO 56 - HA ARG 26 lone 2 55 - 3 - HB VAL 76 - HA ARG 26 lone 1 75 - 2 - HD3 ARG 69 - HA GLU 25 lone 1 76 - 2 - HD2 ARG 69 - HA GLU 25 lone 1 76 - 2 - HB2 GLU 50 - HA ARG 27 lone 1 48 - 2 - HB3 GLU 50 - HA ARG 27 lone 1 48 - 2 - HD3 ARG 69 - HA ARG 71 lone 1 65 - 2 - HD2 ARG 69 - HA ARG 71 lone 1 65 - 2 - HB VAL 45 - HA GLU 25 lone 1 96 - 1 - HB3 GLN 91 - HA ARG 71 lone 1 84 - 1 - HG2 PRO 44 - HA ARG 26 lone 1 77 - 1 - HB2 GLU 87 - HA ARG 27 lone 1 37 - 2 - 4.6/873=1 HB3 GLU 19 - HA ARG 27 lone 1 46 - 2 - HB3 GLU 19 - HA ARG 71 lone 1 81 - 1 - HB3 GLU 50 - HA ARG 71 lone 1 84 - 1 - HB2 GLU 50 - HA ARG 71 lone 1 84 - 1 - HB2 GLU 87 - HA ARG 71 lone 1 68 - 1 - HB3 GLN 91 - HA ARG 27 lone 1 48 - 1 - HG2 PRO 56 - HA ARG 27 lone 1 45 - 1 - HB VAL 45 - HA ARG 26 lone 1 71 - 1 - HD3 ARG 69 - HA ARG 26 lone 1 53 - 1 - HD2 ARG 69 - HA ARG 26 lone 1 53 - 1 - HB3 PRO 56 - HA ARG 27 lone 1 37 - 1 - HG2 PRO 44 - HA ARG 71 lone 0 91 - 0 - HG2 PRO 44 - HA ARG 27 lone 0 54 - 1 - HB3 PRO 56 - HA ARG 71 lone 0 68 - 1 - HG2 PRO 56 - HA ARG 71 lone 0 80 - 0 - HB VAL 45 - HA ARG 71 lone 0 86 - 0 - HB VAL 45 - HA ARG 27 lone 0 50 - 1 - HD2 ARG 69 - HA ARG 27 lone 0 36 - 1 - HD3 ARG 69 - HA ARG 27 lone 0 36 - 1 - Peak 1331 from cnoeabs.peaks (2.05, 4.09, 58.48 ppm; 3.04 A): 2 out of 60 assignments used, quality = 1.00: * HB3 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB2 GLU 25 + HA GLU 25 OK 100 100 - 100 - 3.0=100 HB3 GLU 25 - HA ARG 26 OK 40 79 - 51 - 57/3.0=7, 1341=5...(22) HB2 GLU 25 - HA ARG 26 OK 40 79 - 51 - 57/3.0=7, 1341=5...(22) HB3 GLU 25 - HA ARG 27 OK 13 56 - 23 - 5522/3.0=2, ~5522=2...(11) HB2 GLU 25 - HA ARG 27 OK 13 56 - 23 - 5522/3.0=2, ~5522=2...(11) HB3 GLU 25 - HA ARG 71 OK 12 93 - 13 - 1341=2, 4.0/520=1...(6) HB2 GLU 25 - HA ARG 71 OK 12 93 - 13 - 1341=2, 4.0/520=1...(6) HB3 GLU 19 - HA GLU 25 lone 6 90 - 7 - HG2 PRO 44 - HA GLU 25 lone 4 99 - 4 - ~5085=1 HB2 GLU 50 - HA GLU 25 lone 4 93 - 4 - HB3 GLU 50 - HA GLU 25 lone 4 93 - 4 - HB3 MET 31 - HA GLU 25 lone 4 90 - 4 - HB3 GLN 91 - HA ARG 26 lone 4 69 - 5 - 3.6/419=1 HB3 GLN 91 - HA GLU 25 lone 3 93 - 3 - 3.6/419=1 HB3 MET 31 - HA ARG 27 lone 3 45 - 7 - 5531/5.0=2, 5527/3.6=2 HB3 GLU 19 - HA ARG 26 lone 3 66 - 4 - HB VAL 76 - HA GLU 25 lone 3 97 - 3 - HB3 PRO 56 - HA GLU 25 lone 3 76 - 3 - HG2 PRO 56 - HA GLU 25 lone 2 89 - 3 - HB VAL 76 - HA ARG 71 lone 2 88 - 3 - HB2 GLU 87 - HA ARG 26 lone 2 53 - 3 - HB2 GLU 50 - HA ARG 26 lone 2 69 - 3 - HB3 GLU 50 - HA ARG 26 lone 2 69 - 3 - HB3 MET 31 - HA ARG 71 lone 2 80 - 2 - HG2 PRO 56 - HA ARG 26 lone 2 64 - 2 - HB3 MET 31 - HA ARG 26 lone 2 66 - 2 - HB VAL 76 - HA ARG 27 lone 2 51 - 3 - 3985/3.6=1 HB2 GLU 87 - HA GLU 25 lone 1 76 - 2 - HB3 PRO 56 - HA ARG 26 lone 1 53 - 3 - HB VAL 76 - HA ARG 26 lone 1 74 - 2 - HD3 ARG 69 - HA GLU 25 lone 1 73 - 2 - HD2 ARG 69 - HA GLU 25 lone 1 73 - 2 - HB3 GLU 50 - HA ARG 27 lone 1 47 - 2 - HB2 GLU 50 - HA ARG 27 lone 1 47 - 2 - HB VAL 45 - HA GLU 25 lone 1 97 - 1 - HD3 ARG 69 - HA ARG 71 lone 1 63 - 2 - HD2 ARG 69 - HA ARG 71 lone 1 63 - 2 - HB3 GLN 91 - HA ARG 71 lone 1 83 - 1 - HG2 PRO 44 - HA ARG 26 lone 1 76 - 1 - HB2 GLU 87 - HA ARG 27 lone 1 36 - 2 - 4.6/873=1 HB3 GLU 19 - HA ARG 71 lone 1 80 - 1 - HB3 GLU 19 - HA ARG 27 lone 1 45 - 2 - HB3 GLU 50 - HA ARG 71 lone 1 83 - 1 - HB2 GLU 50 - HA ARG 71 lone 1 83 - 1 - HB3 GLN 91 - HA ARG 27 lone 1 47 - 1 - HB2 GLU 87 - HA ARG 71 lone 1 65 - 1 - HG2 PRO 56 - HA ARG 27 lone 1 44 - 1 - HB VAL 45 - HA ARG 26 lone 1 73 - 1 - HD3 ARG 69 - HA ARG 26 lone 1 51 - 1 - HD2 ARG 69 - HA ARG 26 lone 1 51 - 1 - HB3 PRO 56 - HA ARG 27 lone 1 36 - 1 - HG2 PRO 44 - HA ARG 71 lone 0 90 - 0 - HG2 PRO 44 - HA ARG 27 lone 0 54 - 1 - HB3 PRO 56 - HA ARG 71 lone 0 65 - 1 - HG2 PRO 56 - HA ARG 71 lone 0 78 - 0 - HB VAL 45 - HA ARG 71 lone 0 87 - 0 - HB VAL 45 - HA ARG 27 lone 0 50 - 1 - HD2 ARG 69 - HA ARG 27 lone 0 34 - 1 - HD3 ARG 69 - HA ARG 27 lone 0 34 - 1 - Peak 1332 from cnoeabs.peaks (2.26, 4.09, 58.48 ppm; 3.60 A): 2 out of 16 assignments used, quality = 0.94: * HG2 GLU 25 + HA GLU 25 OK 91 100 - 91 - 4.1=68, 523/2.9=17...(15) HG2 GLU 25 + HA ARG 26 OK 37 79 - 47 - 58/3.0=13, 1.8/1353=8...(13) HB2 PRO 14 - HA GLU 25 OK 15 89 - 16 - 523/2.9=4, 1356/4.1=3...(7) HG2 GLU 25 - HA ARG 27 OK 12 56 - 22 - 1.8/1353=3, 1347=3...(10) HG2 GLU 25 - HA ARG 71 OK 12 93 - 12 - 1.8/1353=2, 1347=2...(6) HG3 GLU 19 - HA GLU 25 poor 10 63 - 15 - 523/2.9=2, 1347=2...(5) HG2 GLU 19 - HA GLU 25 poor 10 63 - 15 - 523/2.9=2, 1347=2...(5) HB2 PRO 14 - HA ARG 26 poor 7 64 - 11 - 58/3.0=3, 1102/3.0=1, 1102/3.0=1 HG3 GLU 19 - HA ARG 26 lone 4 43 - 8 - 58/3.0=2, ~58=1 HG2 GLU 19 - HA ARG 26 lone 4 43 - 8 - 58/3.0=2, ~58=1 HB2 PRO 14 - HA ARG 71 lone 2 78 - 2 - HB2 PRO 14 - HA ARG 27 lone 1 44 - 3 - HG2 GLU 19 - HA ARG 71 lone 1 53 - 2 - HG3 GLU 19 - HA ARG 71 lone 1 53 - 2 - HG2 GLU 19 - HA ARG 27 lone 1 28 - 2 - HG3 GLU 19 - HA ARG 27 lone 1 28 - 2 - Peak 1333 from cnoeabs.peaks (2.30, 4.09, 58.48 ppm; 3.85 A): 1 out of 20 assignments used, quality = 0.96: * HG3 GLU 25 + HA GLU 25 OK 96 100 - 96 - 4.1=83, 524/2.9=20...(20) HG3 GLU 25 - HA ARG 26 OK 43 79 - 55 - 1353=12, ~58=10...(14) HG3 GLU 25 - HA ARG 27 OK 15 56 - 27 - 5512/5.0=5, 1353=4...(10) HG3 GLU 25 - HA ARG 71 OK 14 93 - 15 - 1353=4, 1.8/1332=2...(6) HB2 PRO 14 - HA GLU 25 poor 9 68 - 13 - 524/2.9=3, 1351/4.1=3...(6) HG3 GLU 59 - HA GLU 25 poor 8 78 - 10 - 1353=2, 524/2.9=2...(5) HB2 PRO 14 - HA ARG 26 lone 4 47 - 8 - 1102/3.0=1, 1102/3.0=1 HG2 GLN 79 - HA GLU 25 lone 3 71 - 4 - HG3 GLN 79 - HA GLU 25 lone 3 71 - 4 - HG3 GLU 59 - HA ARG 26 lone 2 55 - 3 - HB2 PRO 14 - HA ARG 71 lone 1 58 - 2 - HG3 GLU 59 - HA ARG 71 lone 1 68 - 2 - HG3 GLN 79 - HA ARG 71 lone 1 61 - 1 - HG2 GLN 79 - HA ARG 71 lone 1 61 - 1 - HB2 PRO 14 - HA ARG 27 lone 1 31 - 3 - HG3 GLU 59 - HA ARG 27 lone 1 37 - 2 - HG3 GLN 79 - HA ARG 26 lone 1 49 - 1 - HG2 GLN 79 - HA ARG 26 lone 1 49 - 1 - HG3 GLN 79 - HA ARG 27 lone 0 33 - 1 - HG2 GLN 79 - HA ARG 27 lone 0 33 - 1 - Peak 1334 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 2 out of 45 assignments used, quality = 0.98: * H GLU 25 + HB2 GLU 25 OK 85 100 - 85 - 4.0=65, 524/3.0=16...(10) H GLU 25 + HB3 GLU 25 OK 85 100 - 85 - 4.0=65, 524/3.0=16...(10) H ALA 28 - HB3 GLU 25 OK 37 96 - 39 - 5347/3.0=5, 2.9/5531=3...(17) H ALA 28 - HB2 GLU 25 OK 37 96 - 39 - 5347/3.0=5, 2.9/5531=3...(17) H SER 22 - HB2 GLU 25 OK 29 97 - 30 - 4152/1.8=5, 4152=5...(9) H SER 22 - HB3 GLU 25 OK 29 97 - 30 - 4152/1.8=5, 4152=5...(9) H ARG 27 - HB2 GLU 25 OK 23 76 - 30 - 5380/4.7=8, 61/3.0=3...(9) H ARG 27 - HB3 GLU 25 OK 23 76 - 30 - 5380/4.7=8, 61/3.0=3...(9) H THR 15 - HB2 GLU 25 lone 9 100 - 9 - 11/3.0=3, 11/3.0=2, 4.0/1344=1 H THR 15 - HB3 GLU 25 lone 9 100 - 9 - 11/3.0=3, 11/3.0=2, 4.0/1344=1 H ALA 28 - HB3 GLU 50 lone 7 68 - 9 - 542/3.0=1 H ALA 28 - HB2 GLU 50 lone 7 68 - 9 - 542/3.0=1 H SER 22 - HB3 GLU 50 lone 6 71 - 8 - 3.9/4155=1, 4152/1.8=1, 4152=1 H SER 22 - HB2 GLU 50 lone 6 71 - 8 - 3.9/4155=1, 4152/1.8=1, 4152=1 H ALA 77 - HB2 GLU 25 lone 6 71 - 8 - 350=1, 350/1.8=1 H ALA 77 - HB3 GLU 25 lone 6 71 - 8 - 350=1, 350/1.8=1 H ARG 84 - HB2 GLU 25 lone 5 100 - 4 - H ARG 84 - HB3 GLU 25 lone 5 100 - 4 - H GLU 25 - HB2 GLU 50 lone 4 76 - 5 - H GLU 25 - HB3 GLU 50 lone 4 76 - 5 - H ALA 77 - HB3 GLU 50 lone 3 46 - 7 - 350=1, 3.6/3158=1 H ALA 77 - HB2 GLU 50 lone 3 46 - 7 - 350=1, 3.6/3158=1 H ILE 89 - HB2 GLU 25 lone 3 63 - 4 - H ILE 89 - HB3 GLU 25 lone 3 63 - 4 - H GLN 79 - HB2 GLU 25 lone 2 92 - 3 - H GLN 79 - HB3 GLU 25 lone 2 92 - 2 - H GLU 25 - HB3 PRO 56 lone 2 57 - 3 - H ARG 27 - HB2 GLU 50 lone 1 50 - 3 - H ARG 27 - HB3 GLU 50 lone 1 50 - 3 - H SER 22 - HB3 PRO 56 lone 1 52 - 2 - H ARG 84 - HB3 GLU 50 lone 1 76 - 1 - H ARG 84 - HB2 GLU 50 lone 1 76 - 1 - H ARG 27 - HB3 PRO 56 lone 1 36 - 2 - H ALA 28 - HB3 PRO 56 lone 1 50 - 2 - H THR 15 - HB3 GLU 50 lone 1 75 - 1 - H THR 15 - HB2 GLU 50 lone 1 75 - 1 - H GLN 79 - HB2 GLU 50 lone 1 64 - 1 - H GLN 79 - HB3 GLU 50 lone 1 64 - 1 - H ALA 77 - HB3 PRO 56 lone 1 33 - 2 - H ARG 84 - HB3 PRO 56 lone 1 56 - 1 - H ILE 89 - HB2 GLU 50 lone 0 40 - 1 - H ILE 89 - HB3 GLU 50 lone 0 40 - 1 - H THR 15 - HB3 PRO 56 lone 0 56 - 1 - H GLN 79 - HB3 PRO 56 lone 0 47 - 1 - H ILE 89 - HB3 PRO 56 lone 0 29 - 1 - Peak 1335 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.17 A): 2 out of 30 assignments used, quality = 1.00: * HA GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HA GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HA ARG 26 - HB2 GLU 25 OK 44 83 - 54 - 3.0/57=8, 1331=5...(22) HA ARG 26 - HB3 GLU 25 OK 44 83 - 54 - 3.0/57=8, 1331=5...(22) HA ARG 27 - HB3 GLU 25 OK 16 65 - 25 - 3.0/5522=3, ~5522=2...(11) HA ARG 27 - HB2 GLU 25 OK 16 65 - 25 - 3.0/5522=3, ~5522=2...(11) HA ARG 71 - HB2 GLU 25 OK 13 95 - 14 - 520/4.0=2, 1331=1...(6) HA ARG 71 - HB3 GLU 25 OK 13 94 - 14 - 520/4.0=2, 1331=1...(6) HA VAL 90 - HB2 GLU 25 lone 4 95 - 4 - HA VAL 90 - HB3 GLU 25 lone 4 94 - 4 - HA GLU 25 - HB3 GLU 50 lone 4 76 - 5 - HA GLU 25 - HB2 GLU 50 lone 4 76 - 5 - HA GLU 25 - HB3 PRO 56 lone 2 57 - 4 - HA ARG 26 - HB3 GLU 50 lone 2 56 - 3 - HA ARG 26 - HB2 GLU 50 lone 2 56 - 3 - HA ALA 63 - HB2 GLU 25 lone 1 65 - 2 - HA ALA 63 - HB3 GLU 25 lone 1 65 - 2 - HA ARG 26 - HB3 PRO 56 lone 1 40 - 3 - HA ARG 27 - HB3 GLU 50 lone 1 42 - 3 - HA ARG 27 - HB2 GLU 50 lone 1 42 - 3 - HA VAL 90 - HB3 GLU 50 lone 1 67 - 1 - HA VAL 90 - HB2 GLU 50 lone 1 67 - 1 - HA ARG 71 - HB3 GLU 50 lone 1 67 - 1 - HA ARG 71 - HB2 GLU 50 lone 1 67 - 1 - HA VAL 90 - HB3 PRO 56 lone 1 49 - 1 - HA ARG 27 - HB3 PRO 56 lone 1 30 - 2 - HA ARG 71 - HB3 PRO 56 lone 0 49 - 1 - HA ALA 63 - HB2 GLU 50 lone 0 42 - 1 - HA ALA 63 - HB3 GLU 50 lone 0 42 - 1 - HA ALA 63 - HB3 PRO 56 lone 0 30 - 0 - Peak 1336 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HB2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 HB3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 67 67 - 100 HB2 GLU 50 + HB2 GLU 50 OK 67 67 - 100 HB3 PRO 56 - HB3 PRO 56 OK 38 38 - 100 Peak 1337 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 66 66 - 100 HB2 GLU 50 + HB2 GLU 50 OK 66 66 - 100 HB3 PRO 56 - HB3 PRO 56 OK 36 36 - 100 Reference assignment not found: HB3 GLU 25 - HB2 GLU 25 Peak 1338 from cnoeabs.peaks (2.26, 2.05, 29.32 ppm; 2.87 A): 2 out of 20 assignments used, quality = 1.00: * HG2 GLU 25 + HB2 GLU 25 OK 94 100 - 94 - 3.0=88, 1.8/1355=12...(12) HG2 GLU 25 + HB3 GLU 25 OK 94 100 - 94 - 3.0=88, 1.8/1355=12...(12) HB2 PRO 14 - HB2 GLU 25 OK 13 89 - 14 - 1356/3.0=3, 523/4.0=2...(8) HB2 PRO 14 - HB3 GLU 25 OK 13 89 - 14 - 1356/3.0=3, 523/4.0=2...(8) HG2 GLU 19 - HB3 GLU 25 lone 6 63 - 10 - HG3 GLU 19 - HB3 GLU 25 lone 6 63 - 10 - HG3 GLU 19 - HB2 GLU 25 lone 6 63 - 10 - HG2 GLU 19 - HB2 GLU 25 lone 6 63 - 10 - HG2 GLU 25 - HB2 GLU 50 lone 4 76 - 5 - HG2 GLU 25 - HB3 GLU 50 lone 4 76 - 5 - HG3 GLU 19 - HB3 GLU 50 lone 3 40 - 8 - HG3 GLU 19 - HB2 GLU 50 lone 3 40 - 8 - HG2 GLU 19 - HB2 GLU 50 lone 3 40 - 8 - HG2 GLU 19 - HB3 GLU 50 lone 3 40 - 8 - HG2 GLU 25 - HB3 PRO 56 lone 2 57 - 3 - HB2 PRO 14 - HB2 GLU 50 lone 0 61 - 1 - HB2 PRO 14 - HB3 GLU 50 lone 0 61 - 1 - HG2 GLU 19 - HB3 PRO 56 lone 0 29 - 1 - HG3 GLU 19 - HB3 PRO 56 lone 0 29 - 1 - HB2 PRO 14 - HB3 PRO 56 lone 0 45 - 0 - Peak 1339 from cnoeabs.peaks (2.30, 2.05, 29.32 ppm; 3.20 A): 2 out of 25 assignments used, quality = 1.00: * HG3 GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HB2 PRO 14 - HB2 GLU 25 OK 10 68 - 15 - 1351/3.0=3, ~1108=2...(6) HB2 PRO 14 - HB3 GLU 25 OK 10 68 - 15 - 1351/3.0=3, ~1108=2...(6) HG3 GLU 59 - HB3 GLU 25 lone 8 78 - 10 - 1355=1, 1351/3.0=1 HG3 GLU 59 - HB2 GLU 25 lone 8 78 - 10 - 1355=1, 1351/3.0=1 HG3 GLU 25 - HB3 GLU 50 lone 5 76 - 6 - HG3 GLU 25 - HB2 GLU 50 lone 5 76 - 6 - HG3 GLU 25 - HB3 PRO 56 lone 3 57 - 5 - HG3 GLU 59 - HB3 GLU 50 lone 3 52 - 5 - HG3 GLU 59 - HB2 GLU 50 lone 3 52 - 5 - HG2 GLN 79 - HB2 GLU 25 lone 2 71 - 2 - HG3 GLN 79 - HB2 GLU 25 lone 2 71 - 2 - HG3 GLN 79 - HB3 GLU 25 lone 2 71 - 2 - HG2 GLN 79 - HB3 GLU 25 lone 2 71 - 2 - HG3 GLU 59 - HB3 PRO 56 lone 1 38 - 3 - HG3 GLN 79 - HB3 GLU 50 lone 1 46 - 1 - HG3 GLN 79 - HB2 GLU 50 lone 1 46 - 1 - HG2 GLN 79 - HB3 GLU 50 lone 1 46 - 1 - HG2 GLN 79 - HB2 GLU 50 lone 1 46 - 1 - HB2 PRO 14 - HB3 GLU 50 lone 0 44 - 1 - HB2 PRO 14 - HB2 GLU 50 lone 0 44 - 1 - HG3 GLN 79 - HB3 PRO 56 lone 0 33 - 0 - HG2 GLN 79 - HB3 PRO 56 lone 0 33 - 0 - HB2 PRO 14 - HB3 PRO 56 lone 0 32 - 0 - Peak 1340 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 2 out of 45 assignments used, quality = 0.98: * H GLU 25 + HB3 GLU 25 OK 85 100 - 85 - 4.0=65, 524/3.0=16...(10) H GLU 25 + HB2 GLU 25 OK 85 100 - 85 - 4.0=65, 524/3.0=16...(10) H ALA 28 - HB3 GLU 25 OK 37 96 - 39 - 5347/3.0=5, 2.9/5531=3...(17) H ALA 28 - HB2 GLU 25 OK 37 96 - 39 - 5347/3.0=5, 2.9/5531=3...(17) H SER 22 - HB3 GLU 25 OK 29 97 - 30 - 4152/1.8=5, 4152=5...(9) H SER 22 - HB2 GLU 25 OK 29 97 - 30 - 4152/1.8=5, 4152=5...(9) H ARG 27 - HB3 GLU 25 OK 23 76 - 30 - 5380/4.7=8, 61/3.0=3...(9) H ARG 27 - HB2 GLU 25 OK 23 76 - 30 - 5380/4.7=8, 61/3.0=3...(9) H THR 15 - HB3 GLU 25 lone 9 100 - 9 - 11/3.0=3, 11/3.0=2, 4.0/1344=1 H THR 15 - HB2 GLU 25 lone 9 100 - 9 - 11/3.0=3, 11/3.0=2, 4.0/1344=1 H ALA 28 - HB2 GLU 50 lone 6 67 - 9 - 542/3.0=1 H ALA 28 - HB3 GLU 50 lone 6 67 - 9 - 542/3.0=1 H SER 22 - HB3 GLU 50 lone 6 69 - 8 - 3.9/4155=1, 4152/1.8=1, 4152=1 H SER 22 - HB2 GLU 50 lone 6 69 - 8 - 3.9/4155=1, 4152/1.8=1, 4152=1 H ALA 77 - HB2 GLU 25 lone 6 71 - 8 - 350=1, 350/1.8=1 H ALA 77 - HB3 GLU 25 lone 6 71 - 8 - 350=1, 350/1.8=1 H ARG 84 - HB2 GLU 25 lone 5 100 - 4 - H ARG 84 - HB3 GLU 25 lone 5 100 - 4 - H GLU 25 - HB2 GLU 50 lone 4 74 - 5 - H GLU 25 - HB3 GLU 50 lone 4 74 - 5 - H ALA 77 - HB3 GLU 50 lone 3 45 - 7 - 350=1, 3.6/3158=1 H ALA 77 - HB2 GLU 50 lone 3 45 - 7 - 350=1, 3.6/3158=1 H ILE 89 - HB3 GLU 25 lone 3 63 - 4 - H ILE 89 - HB2 GLU 25 lone 3 63 - 4 - H GLN 79 - HB2 GLU 25 lone 2 92 - 2 - H GLN 79 - HB3 GLU 25 lone 2 92 - 2 - H GLU 25 - HB3 PRO 56 lone 2 55 - 3 - H ARG 27 - HB2 GLU 50 lone 1 49 - 3 - H ARG 27 - HB3 GLU 50 lone 1 49 - 3 - H SER 22 - HB3 PRO 56 lone 1 50 - 2 - H ARG 84 - HB3 GLU 50 lone 1 74 - 1 - H ARG 84 - HB2 GLU 50 lone 1 74 - 1 - H ARG 27 - HB3 PRO 56 lone 1 35 - 2 - H ALA 28 - HB3 PRO 56 lone 1 48 - 2 - H THR 15 - HB3 GLU 50 lone 1 74 - 1 - H THR 15 - HB2 GLU 50 lone 1 74 - 1 - H GLN 79 - HB2 GLU 50 lone 1 63 - 1 - H GLN 79 - HB3 GLU 50 lone 1 63 - 1 - H ALA 77 - HB3 PRO 56 lone 1 32 - 2 - H ARG 84 - HB3 PRO 56 lone 0 54 - 1 - H ILE 89 - HB2 GLU 50 lone 0 40 - 1 - H ILE 89 - HB3 GLU 50 lone 0 40 - 1 - H THR 15 - HB3 PRO 56 lone 0 54 - 1 - H GLN 79 - HB3 PRO 56 lone 0 45 - 1 - H ILE 89 - HB3 PRO 56 lone 0 28 - 1 - Peak 1341 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.17 A): 2 out of 30 assignments used, quality = 1.00: * HA GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HA GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HA ARG 26 - HB3 GLU 25 OK 44 83 - 54 - 3.0/57=8, 1331=5...(22) HA ARG 26 - HB2 GLU 25 OK 44 83 - 54 - 3.0/57=8, 1331=5...(22) HA ARG 27 - HB3 GLU 25 OK 16 65 - 25 - 3.0/5522=3, ~5522=2...(11) HA ARG 27 - HB2 GLU 25 OK 16 65 - 25 - 3.0/5522=3, ~5522=2...(11) HA ARG 71 - HB3 GLU 25 OK 13 95 - 14 - 520/4.0=2, 1331=1...(6) HA ARG 71 - HB2 GLU 25 OK 13 94 - 14 - 520/4.0=2, 1331=1...(6) HA VAL 90 - HB2 GLU 25 lone 4 94 - 4 - HA VAL 90 - HB3 GLU 25 lone 4 95 - 4 - HA GLU 25 - HB3 GLU 50 lone 4 74 - 5 - HA GLU 25 - HB2 GLU 50 lone 4 74 - 5 - HA GLU 25 - HB3 PRO 56 lone 2 55 - 4 - HA ARG 26 - HB3 GLU 50 lone 2 55 - 3 - HA ARG 26 - HB2 GLU 50 lone 2 55 - 3 - HA ALA 63 - HB3 GLU 25 lone 1 65 - 2 - HA ALA 63 - HB2 GLU 25 lone 1 65 - 2 - HA ARG 26 - HB3 PRO 56 lone 1 39 - 3 - HA ARG 27 - HB3 GLU 50 lone 1 41 - 3 - HA ARG 27 - HB2 GLU 50 lone 1 41 - 3 - HA VAL 90 - HB3 GLU 50 lone 1 66 - 1 - HA VAL 90 - HB2 GLU 50 lone 1 66 - 1 - HA ARG 71 - HB3 GLU 50 lone 1 66 - 1 - HA ARG 71 - HB2 GLU 50 lone 1 66 - 1 - HA VAL 90 - HB3 PRO 56 lone 1 47 - 1 - HA ARG 27 - HB3 PRO 56 lone 1 29 - 2 - HA ARG 71 - HB3 PRO 56 lone 0 47 - 1 - HA ALA 63 - HB2 GLU 50 lone 0 41 - 1 - HA ALA 63 - HB3 GLU 50 lone 0 41 - 1 - HA ALA 63 - HB3 PRO 56 lone 0 29 - 0 - Peak 1342 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 66 66 - 100 HB2 GLU 50 + HB2 GLU 50 OK 66 66 - 100 HB3 PRO 56 - HB3 PRO 56 OK 36 36 - 100 Reference assignment not found: HB2 GLU 25 - HB3 GLU 25 Peak 1343 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HB3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 64 64 - 100 HB2 GLU 50 + HB2 GLU 50 OK 64 64 - 100 HB3 PRO 56 - HB3 PRO 56 OK 35 35 - 100 Peak 1344 from cnoeabs.peaks (2.26, 2.05, 29.32 ppm; 2.87 A): 2 out of 20 assignments used, quality = 1.00: * HG2 GLU 25 + HB3 GLU 25 OK 94 100 - 94 - 3.0=88, 1.8/1355=12...(12) HG2 GLU 25 + HB2 GLU 25 OK 94 100 - 94 - 3.0=88, 1.8/1355=12...(12) HB2 PRO 14 - HB3 GLU 25 OK 13 89 - 14 - 1356/3.0=3, 523/4.0=2...(8) HB2 PRO 14 - HB2 GLU 25 OK 13 89 - 14 - 1356/3.0=3, 523/4.0=2...(8) HG2 GLU 19 - HB3 GLU 25 lone 6 63 - 10 - HG3 GLU 19 - HB3 GLU 25 lone 6 63 - 10 - HG3 GLU 19 - HB2 GLU 25 lone 6 63 - 10 - HG2 GLU 19 - HB2 GLU 25 lone 6 63 - 10 - HG2 GLU 25 - HB2 GLU 50 lone 4 74 - 5 - HG2 GLU 25 - HB3 GLU 50 lone 4 74 - 5 - HG3 GLU 19 - HB3 GLU 50 lone 3 40 - 8 - HG3 GLU 19 - HB2 GLU 50 lone 3 40 - 8 - HG2 GLU 19 - HB2 GLU 50 lone 3 40 - 8 - HG2 GLU 19 - HB3 GLU 50 lone 3 40 - 8 - HG2 GLU 25 - HB3 PRO 56 lone 2 55 - 3 - HB2 PRO 14 - HB2 GLU 50 lone 0 60 - 1 - HB2 PRO 14 - HB3 GLU 50 lone 0 60 - 1 - HG2 GLU 19 - HB3 PRO 56 lone 0 28 - 1 - HG3 GLU 19 - HB3 PRO 56 lone 0 28 - 1 - HB2 PRO 14 - HB3 PRO 56 lone 0 43 - 0 - Peak 1345 from cnoeabs.peaks (2.30, 2.05, 29.32 ppm; 3.20 A): 2 out of 25 assignments used, quality = 1.00: * HG3 GLU 25 + HB3 GLU 25 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 + HB2 GLU 25 OK 100 100 - 100 - 3.0=100 HB2 PRO 14 - HB3 GLU 25 OK 10 68 - 15 - 1351/3.0=3, ~1108=2...(6) HB2 PRO 14 - HB2 GLU 25 OK 10 68 - 15 - 1351/3.0=3, ~1108=2...(6) HG3 GLU 59 - HB3 GLU 25 lone 8 78 - 10 - 1355=1, 1351/3.0=1 HG3 GLU 59 - HB2 GLU 25 lone 8 78 - 10 - 1355=1, 1351/3.0=1 HG3 GLU 25 - HB3 GLU 50 lone 5 74 - 6 - HG3 GLU 25 - HB2 GLU 50 lone 5 74 - 6 - HG3 GLU 25 - HB3 PRO 56 lone 3 55 - 5 - HG3 GLU 59 - HB2 GLU 50 lone 3 51 - 5 - HG3 GLU 59 - HB3 GLU 50 lone 3 51 - 5 - HG3 GLN 79 - HB3 GLU 25 lone 2 71 - 2 - HG2 GLN 79 - HB3 GLU 25 lone 2 71 - 2 - HG2 GLN 79 - HB2 GLU 25 lone 2 71 - 2 - HG3 GLN 79 - HB2 GLU 25 lone 2 71 - 2 - HG3 GLU 59 - HB3 PRO 56 lone 1 36 - 3 - HG3 GLN 79 - HB3 GLU 50 lone 1 45 - 1 - HG3 GLN 79 - HB2 GLU 50 lone 1 45 - 1 - HG2 GLN 79 - HB3 GLU 50 lone 1 45 - 1 - HG2 GLN 79 - HB2 GLU 50 lone 1 45 - 1 - HB2 PRO 14 - HB3 GLU 50 lone 0 43 - 1 - HB2 PRO 14 - HB2 GLU 50 lone 0 43 - 1 - HG3 GLN 79 - HB3 PRO 56 lone 0 32 - 0 - HG2 GLN 79 - HB3 PRO 56 lone 0 32 - 0 - HB2 PRO 14 - HB3 PRO 56 lone 0 30 - 0 - Peak 1346 from cnoeabs.peaks (8.20, 2.26, 36.07 ppm; 4.38 A): 2 out of 27 assignments used, quality = 0.95: * H GLU 25 + HG2 GLU 25 OK 92 100 - 92 - 5.0=67, 524/1.8=32...(10) H SER 22 + HG2 GLU 25 OK 41 97 - 42 - 3.9/5498=10, 2.9/5500=8...(10) H ALA 28 - HG2 GLU 25 OK 38 96 - 40 - ~5512=7, 5347/4.1=6...(11) H ARG 27 - HG2 GLU 25 OK 31 76 - 41 - 4.6/58=14, 3.6/1332=6...(9) H THR 15 - HG2 GLU 25 OK 27 100 - 27 - 11=6, 3.6/1094=5...(6) H GLU 25 - HG3 GLU 19 OK 13 62 - 21 - 523=4, 523/1.8=3...(9) H GLU 25 - HG2 GLU 19 OK 13 62 - 21 - 523=4, 523/1.8=3...(9) H ILE 89 - HG2 GLU 25 OK 11 63 - 17 - 3.5/5517=4, 4.0/4165=3...(6) H ALA 77 - HG2 GLU 25 lone 7 71 - 9 - 2.9/5514=1, 350/3.0=1...(5) H ARG 84 - HG2 GLU 25 lone 6 100 - 5 - H GLN 79 - HG2 GLU 25 lone 5 92 - 5 - H SER 22 - HG3 GLU 19 lone 4 57 - 6 - 3.5/5284=1, 3.5/5284=1 H SER 22 - HG2 GLU 19 lone 4 57 - 6 - 3.5/5284=1, 3.5/5284=1 H ALA 28 - HG3 GLU 19 lone 3 55 - 6 - H ALA 28 - HG2 GLU 19 lone 3 55 - 6 - H ILE 89 - HG2 GLU 19 lone 3 32 - 9 - 3.5/5517=3, 4.6/5921=3 H ILE 89 - HG3 GLU 19 lone 3 32 - 9 - 3.5/5517=3, 4.6/5921=3 H ARG 27 - HG2 GLU 19 lone 2 40 - 6 - 4.6/58=2 H ARG 27 - HG3 GLU 19 lone 2 40 - 6 - 4.6/58=2 H THR 15 - HG3 GLU 19 lone 2 61 - 4 - H THR 15 - HG2 GLU 19 lone 2 61 - 4 - H ARG 84 - HG3 GLU 19 lone 2 62 - 3 - H ARG 84 - HG2 GLU 19 lone 2 62 - 3 - H ALA 77 - HG2 GLU 19 lone 1 37 - 4 - H ALA 77 - HG3 GLU 19 lone 1 37 - 4 - H GLN 79 - HG2 GLU 19 lone 1 52 - 2 - H GLN 79 - HG3 GLU 19 lone 1 52 - 2 - Peak 1347 from cnoeabs.peaks (4.09, 2.26, 36.07 ppm; 4.05 A): 2 out of 18 assignments used, quality = 1.00: * HA GLU 25 + HG2 GLU 25 OK 99 100 - 99 - 4.1=97, 2.9/523=21...(15) HA ARG 26 + HG2 GLU 25 OK 47 83 - 57 - 3.0/58=17, 1353/1.8=9...(13) HA ARG 27 - HG2 GLU 25 OK 17 65 - 27 - 1353/1.8=4, 5.0/5514=3...(10) HA ARG 71 - HG2 GLU 25 OK 15 95 - 16 - 1353/1.8=3, 1332=3...(7) HA GLU 25 - HG3 GLU 19 OK 12 62 - 19 - 2.9/523=2, 1332=2...(5) HA GLU 25 - HG2 GLU 19 OK 12 62 - 19 - 2.9/523=2, 1332=2...(5) HA VAL 90 - HG2 GLU 25 lone 9 95 - 9 - 3.6/5905=6 HA ARG 26 - HG3 GLU 19 poor 5 45 - 11 - 3.0/58=2, ~58=1 HA ARG 26 - HG2 GLU 19 poor 5 45 - 11 - 3.0/58=2, ~58=1 HA VAL 90 - HG3 GLU 19 lone 4 54 - 8 - 3.6/5905=6 HA VAL 90 - HG2 GLU 19 lone 4 54 - 8 - 3.6/5905=6 HA ALA 63 - HG2 GLU 25 lone 2 65 - 2 - HA ARG 71 - HG3 GLU 19 lone 1 54 - 2 - HA ARG 71 - HG2 GLU 19 lone 1 54 - 2 - HA ARG 27 - HG3 GLU 19 lone 1 33 - 3 - HA ARG 27 - HG2 GLU 19 lone 1 33 - 3 - HA ALA 63 - HG2 GLU 19 lone 0 33 - 1 - HA ALA 63 - HG3 GLU 19 lone 0 33 - 1 - Peak 1348 from cnoeabs.peaks (2.05, 2.26, 36.07 ppm; 2.72 A): 2 out of 45 assignments used, quality = 0.98: * HB2 GLU 25 + HG2 GLU 25 OK 87 100 - 87 - 3.0=74, 1355/1.8=11...(12) HB3 GLU 25 + HG2 GLU 25 OK 87 100 - 87 - 3.0=74, 1355/1.8=11...(12) HB3 GLU 19 - HG3 GLU 19 OK 40 52 - 78 - 3.0=74, 1222/1.8=6...(7) HB3 GLU 19 - HG2 GLU 19 OK 40 52 - 78 - 3.0=74, 1222/1.8=6...(7) HB2 GLU 87 - HG3 GLU 19 OK 12 41 - 29 - 3.0/5517=2, 1223/1.8=2...(17) HB2 GLU 87 - HG2 GLU 19 OK 12 41 - 29 - 3.0/5517=2, 1223/1.8=2...(17) HB2 GLU 25 - HG3 GLU 19 lone 6 62 - 9 - 1344=1 HB2 GLU 25 - HG2 GLU 19 lone 6 62 - 9 - 1344=1 HB3 GLU 25 - HG2 GLU 19 lone 6 62 - 9 - 1344=1 HB3 GLU 25 - HG3 GLU 19 lone 6 62 - 9 - 1344=1 HB3 GLN 91 - HG3 GLU 19 lone 4 54 - 8 - 3.6/5905=2 HB3 GLN 91 - HG2 GLU 19 lone 4 54 - 8 - 3.6/5905=2 HB2 GLU 50 - HG2 GLU 25 lone 4 95 - 4 - HB3 GLU 50 - HG2 GLU 25 lone 4 95 - 4 - HB2 GLU 50 - HG3 GLU 19 lone 3 54 - 6 - HB2 GLU 50 - HG2 GLU 19 lone 3 54 - 6 - HB3 GLU 50 - HG3 GLU 19 lone 3 54 - 6 - HB3 GLU 50 - HG2 GLU 19 lone 3 54 - 6 - HB3 GLN 91 - HG2 GLU 25 lone 3 95 - 3 - 3.6/5905=2 HB3 GLU 19 - HG2 GLU 25 lone 3 92 - 3 - HG2 PRO 44 - HG2 GLU 25 lone 3 99 - 3 - HG2 PRO 56 - HG2 GLU 25 lone 2 90 - 3 - HB3 PRO 56 - HG2 GLU 25 lone 2 78 - 3 - HB3 MET 31 - HG2 GLU 25 lone 2 89 - 2 - HB2 GLU 87 - HG2 GLU 25 lone 2 78 - 2 - HB VAL 76 - HG2 GLU 25 lone 1 98 - 1 - HD2 ARG 69 - HG2 GLU 25 lone 1 76 - 2 - HD3 ARG 69 - HG2 GLU 25 lone 1 76 - 2 - HB VAL 45 - HG2 GLU 25 lone 1 96 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 40 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 40 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 40 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 40 - 1 - HB VAL 76 - HG2 GLU 19 lone 0 58 - 1 - HB VAL 76 - HG3 GLU 19 lone 0 58 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 60 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 60 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 50 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 50 - 1 - HB3 MET 31 - HG3 GLU 19 lone 0 49 - 1 - HB3 MET 31 - HG2 GLU 19 lone 0 49 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 0 41 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 0 41 - 1 - HB VAL 45 - HG3 GLU 19 lone 0 55 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 55 - 0 - Peak 1349 from cnoeabs.peaks (2.05, 2.26, 36.07 ppm; 2.72 A): 2 out of 45 assignments used, quality = 0.98: * HB3 GLU 25 + HG2 GLU 25 OK 87 100 - 87 - 3.0=74, 1355/1.8=11...(12) HB2 GLU 25 + HG2 GLU 25 OK 87 100 - 87 - 3.0=74, 1355/1.8=11...(12) HB3 GLU 19 - HG3 GLU 19 OK 39 50 - 78 - 3.0=74, 1223/1.8=6...(7) HB3 GLU 19 - HG2 GLU 19 OK 39 50 - 78 - 3.0=74, 1223/1.8=6...(7) HB2 GLU 87 - HG2 GLU 19 OK 11 40 - 29 - 3.0/5517=2, 1222/1.8=2...(17) HB2 GLU 87 - HG3 GLU 19 OK 11 40 - 29 - 3.0/5517=2, 1222/1.8=2...(17) HB3 GLU 25 - HG3 GLU 19 lone 6 62 - 9 - 1344=1 HB3 GLU 25 - HG2 GLU 19 lone 6 62 - 9 - 1344=1 HB2 GLU 25 - HG3 GLU 19 lone 6 62 - 9 - 1344=1 HB2 GLU 25 - HG2 GLU 19 lone 6 62 - 9 - 1344=1 HB3 GLN 91 - HG3 GLU 19 lone 4 53 - 8 - 3.6/5905=2 HB3 GLN 91 - HG2 GLU 19 lone 4 53 - 8 - 3.6/5905=2 HB2 GLU 50 - HG2 GLU 25 lone 4 93 - 4 - HB3 GLU 50 - HG2 GLU 25 lone 4 93 - 4 - HB2 GLU 50 - HG3 GLU 19 lone 3 53 - 6 - HB2 GLU 50 - HG2 GLU 19 lone 3 53 - 6 - HB3 GLU 50 - HG3 GLU 19 lone 3 53 - 6 - HB3 GLU 50 - HG2 GLU 19 lone 3 53 - 6 - HB3 GLN 91 - HG2 GLU 25 lone 3 93 - 3 - 3.6/5905=2 HB3 GLU 19 - HG2 GLU 25 lone 3 90 - 3 - HG2 PRO 44 - HG2 GLU 25 lone 3 99 - 3 - HG2 PRO 56 - HG2 GLU 25 lone 2 89 - 3 - HB3 PRO 56 - HG2 GLU 25 lone 2 76 - 3 - HB3 MET 31 - HG2 GLU 25 lone 2 90 - 2 - HB2 GLU 87 - HG2 GLU 25 lone 2 76 - 2 - HB VAL 76 - HG2 GLU 25 lone 1 97 - 1 - HD2 ARG 69 - HG2 GLU 25 lone 1 73 - 2 - HD3 ARG 69 - HG2 GLU 25 lone 1 73 - 2 - HB VAL 45 - HG2 GLU 25 lone 1 97 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 38 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 38 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 38 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 38 - 1 - HB VAL 76 - HG2 GLU 19 lone 0 57 - 1 - HB VAL 76 - HG3 GLU 19 lone 0 57 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 60 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 60 - 1 - HB3 MET 31 - HG2 GLU 19 lone 0 50 - 1 - HB3 MET 31 - HG3 GLU 19 lone 0 50 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 49 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 49 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 0 40 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 0 40 - 1 - HB VAL 45 - HG3 GLU 19 lone 0 56 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 56 - 0 - Peak 1350 from cnoeabs.peaks (2.26, 2.26, 36.07 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 25 + HG2 GLU 25 OK 100 100 - 100 HG3 GLU 19 - HG3 GLU 19 OK 32 32 - 100 HG2 GLU 19 - HG2 GLU 19 OK 32 32 - 100 Peak 1351 from cnoeabs.peaks (2.30, 2.26, 36.07 ppm; 2.40 A): 1 out of 15 assignments used, quality = 1.00: * HG3 GLU 25 + HG2 GLU 25 OK 100 100 - 100 - 1.8=100 HB2 PRO 14 - HG2 GLU 25 OK 11 68 - 16 - 1.8/1108=3, 2.3/1094=2...(5) HG3 GLU 59 - HG2 GLU 25 lone 4 78 - 6 - 1356=2 HG3 GLU 25 - HG3 GLU 19 lone 3 62 - 5 - 1356=1 HG3 GLU 25 - HG2 GLU 19 lone 3 62 - 5 - 1356=1 HG2 GLN 79 - HG2 GLU 25 lone 1 71 - 1 - HG3 GLN 79 - HG2 GLU 25 lone 1 71 - 1 - HB2 PRO 14 - HG2 GLU 19 lone 0 35 - 0 - HB2 PRO 14 - HG3 GLU 19 lone 0 35 - 0 - HG3 GLU 59 - HG3 GLU 19 lone 0 41 - 0 - HG3 GLU 59 - HG2 GLU 19 lone 0 41 - 0 - HG3 GLN 79 - HG3 GLU 19 lone 0 37 - 0 - HG2 GLN 79 - HG2 GLU 19 lone 0 37 - 0 - HG2 GLN 79 - HG3 GLU 19 lone 0 37 - 0 - HG3 GLN 79 - HG2 GLU 19 lone 0 37 - 0 - Peak 1352 from cnoeabs.peaks (8.20, 2.30, 36.07 ppm; 4.61 A): 2 out of 18 assignments used, quality = 0.97: * H GLU 25 + HG3 GLU 25 OK 95 100 - 95 - 5.0=79, 523/1.8=31...(10) H ALA 28 + HG3 GLU 25 OK 42 96 - 45 - 2.9/5512=11, 5347/4.1=7...(15) H SER 22 - HG3 GLU 25 OK 32 97 - 33 - 4152/3.0=8, 4152/3.0=8...(7) H ARG 27 - HG3 GLU 25 OK 31 76 - 41 - 4.6/3746=10, 3.6/1353=8...(10) H THR 15 - HG3 GLU 25 OK 24 100 - 24 - 11/1.8=7, 4.0/1356=4...(6) H ILE 89 - HG3 GLU 25 poor 10 63 - 16 - 3.9/5513=4, 4.0/4804=3...(5) H GLU 25 - HG3 GLU 59 poor 10 77 - 12 - 524=3, 5085/4.2=2...(7) H ALA 77 - HG3 GLU 25 poor 8 71 - 11 - 2.9/5512=2, 4.6/3746=1...(5) H ARG 84 - HG3 GLU 25 lone 6 100 - 6 - H GLN 79 - HG3 GLU 25 lone 5 92 - 5 - 4.6/3746=1 H ALA 28 - HG3 GLU 59 lone 2 70 - 3 - H GLN 79 - HG3 GLU 59 lone 2 66 - 3 - H ARG 27 - HG3 GLU 59 lone 2 51 - 4 - 4.6/3746=1 H SER 22 - HG3 GLU 59 lone 2 72 - 2 - H THR 15 - HG3 GLU 59 lone 1 77 - 2 - H ARG 84 - HG3 GLU 59 lone 1 77 - 2 - H ALA 77 - HG3 GLU 59 lone 1 47 - 2 - H ILE 89 - HG3 GLU 59 lone 1 41 - 2 - Peak 1353 from cnoeabs.peaks (4.09, 2.30, 36.07 ppm; 3.86 A): 1 out of 12 assignments used, quality = 0.96: * HA GLU 25 + HG3 GLU 25 OK 96 100 - 96 - 4.1=84, 2.9/524=20...(20) HA ARG 26 - HG3 GLU 25 OK 45 83 - 54 - 1333=10, ~58=10...(14) HA ARG 27 - HG3 GLU 25 OK 17 65 - 27 - 5.0/5512=5, 1333=4...(10) HA ARG 71 - HG3 GLU 25 OK 14 95 - 15 - 1333=3, 1332/1.8=2...(6) HA GLU 25 - HG3 GLU 59 poor 8 77 - 10 - 1333=2, 2.9/524=2...(5) HA VAL 90 - HG3 GLU 25 lone 4 95 - 4 - 1347/1.8=1 HA ARG 26 - HG3 GLU 59 lone 2 57 - 3 - HA ALA 63 - HG3 GLU 25 lone 1 65 - 2 - HA ARG 71 - HG3 GLU 59 lone 1 68 - 2 - HA ARG 27 - HG3 GLU 59 lone 1 43 - 2 - HA VAL 90 - HG3 GLU 59 lone 1 68 - 1 - HA ALA 63 - HG3 GLU 59 lone 0 43 - 1 - Peak 1354 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 2.89 A): 2 out of 30 assignments used, quality = 1.00: HB3 GLU 25 + HG3 GLU 25 OK 95 100 - 95 - 3.0=89, 1344/1.8=12...(13) * HB2 GLU 25 + HG3 GLU 25 OK 95 100 - 95 - 3.0=89, 1344/1.8=12...(13) HG2 PRO 44 - HG3 GLU 59 OK 11 75 - 15 - ~2501=2, 2084/4.2=2...(7) HB3 GLU 25 - HG3 GLU 59 lone 6 77 - 8 - 1345=1 HB2 GLU 25 - HG3 GLU 59 lone 6 77 - 8 - 1339=1 HB3 GLU 50 - HG3 GLU 25 lone 4 95 - 5 - HB2 GLU 50 - HG3 GLU 25 lone 4 95 - 5 - HB3 GLU 19 - HG3 GLU 25 lone 4 92 - 5 - HB2 GLU 50 - HG3 GLU 59 lone 3 68 - 4 - HB3 GLU 50 - HG3 GLU 59 lone 3 68 - 4 - HG2 PRO 44 - HG3 GLU 25 lone 3 99 - 3 - HG2 PRO 56 - HG3 GLU 25 lone 2 90 - 2 - HB3 PRO 56 - HG3 GLU 25 lone 2 78 - 3 - HB3 MET 31 - HG3 GLU 25 lone 2 89 - 3 - HB2 GLU 87 - HG3 GLU 25 lone 2 78 - 2 - HB VAL 76 - HG3 GLU 25 lone 2 98 - 2 - HB3 GLN 91 - HG3 GLU 25 lone 1 95 - 2 - HD2 ARG 69 - HG3 GLU 25 lone 1 76 - 2 - HD3 ARG 69 - HG3 GLU 25 lone 1 76 - 2 - HG2 PRO 56 - HG3 GLU 59 lone 1 64 - 2 - HB3 PRO 56 - HG3 GLU 59 lone 1 53 - 2 - HB3 MET 31 - HG3 GLU 59 lone 1 62 - 1 - HB VAL 45 - HG3 GLU 25 lone 1 96 - 1 - HB VAL 76 - HG3 GLU 59 lone 0 73 - 1 - HB VAL 45 - HG3 GLU 59 lone 0 70 - 0 - HB3 GLU 19 - HG3 GLU 59 lone 0 66 - 0 - HD3 ARG 69 - HG3 GLU 59 lone 0 51 - 1 - HD2 ARG 69 - HG3 GLU 59 lone 0 51 - 1 - HB2 GLU 87 - HG3 GLU 59 lone 0 53 - 0 - HB3 GLN 91 - HG3 GLU 59 lone 0 68 - 0 - Peak 1355 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 2.89 A): 2 out of 30 assignments used, quality = 1.00: * HB3 GLU 25 + HG3 GLU 25 OK 95 100 - 95 - 3.0=89, 1344/1.8=12...(13) HB2 GLU 25 + HG3 GLU 25 OK 95 100 - 95 - 3.0=89, 1344/1.8=12...(13) HG2 PRO 44 - HG3 GLU 59 OK 11 75 - 15 - ~2501=2, 2084/4.2=2...(7) HB3 GLU 25 - HG3 GLU 59 lone 6 77 - 8 - 1345=1 HB2 GLU 25 - HG3 GLU 59 lone 6 77 - 8 - 1345=1 HB3 GLU 50 - HG3 GLU 25 lone 4 93 - 5 - HB2 GLU 50 - HG3 GLU 25 lone 4 93 - 5 - HB3 GLU 19 - HG3 GLU 25 lone 4 90 - 5 - HG2 PRO 44 - HG3 GLU 25 lone 3 99 - 3 - HB3 GLU 50 - HG3 GLU 59 lone 3 67 - 4 - HB2 GLU 50 - HG3 GLU 59 lone 3 67 - 4 - HB3 MET 31 - HG3 GLU 25 lone 2 90 - 3 - HG2 PRO 56 - HG3 GLU 25 lone 2 89 - 2 - HB3 PRO 56 - HG3 GLU 25 lone 2 76 - 3 - HB2 GLU 87 - HG3 GLU 25 lone 2 76 - 2 - HB VAL 76 - HG3 GLU 25 lone 1 97 - 2 - HB3 GLN 91 - HG3 GLU 25 lone 1 93 - 2 - HD2 ARG 69 - HG3 GLU 25 lone 1 73 - 2 - HD3 ARG 69 - HG3 GLU 25 lone 1 73 - 2 - HG2 PRO 56 - HG3 GLU 59 lone 1 62 - 2 - HB3 PRO 56 - HG3 GLU 59 lone 1 51 - 2 - HB3 MET 31 - HG3 GLU 59 lone 1 64 - 1 - HB VAL 45 - HG3 GLU 25 lone 1 97 - 1 - HB VAL 76 - HG3 GLU 59 lone 0 72 - 1 - HB VAL 45 - HG3 GLU 59 lone 0 71 - 0 - HB3 GLU 19 - HG3 GLU 59 lone 0 64 - 0 - HD2 ARG 69 - HG3 GLU 59 lone 0 49 - 1 - HD3 ARG 69 - HG3 GLU 59 lone 0 49 - 1 - HB2 GLU 87 - HG3 GLU 59 lone 0 51 - 0 - HB3 GLN 91 - HG3 GLU 59 lone 0 67 - 0 - Peak 1356 from cnoeabs.peaks (2.26, 2.30, 36.07 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 25 + HG3 GLU 25 OK 100 100 - 100 - 1.8=100 HB2 PRO 14 - HG3 GLU 25 OK 13 89 - 15 - 1.8/1108=2, ~1108=2...(6) HG2 GLU 25 - HG3 GLU 59 lone 4 77 - 6 - 1351=2 HG3 GLU 19 - HG3 GLU 25 lone 3 63 - 5 - 1351=1 HG2 GLU 19 - HG3 GLU 25 lone 3 63 - 5 - 1351=1 HB2 PRO 14 - HG3 GLU 59 lone 0 62 - 0 - HG2 GLU 19 - HG3 GLU 59 lone 0 41 - 0 - HG3 GLU 19 - HG3 GLU 59 lone 0 41 - 0 - Peak 1357 from cnoeabs.peaks (2.30, 2.30, 36.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 25 + HG3 GLU 25 OK 100 100 - 100 HG3 GLU 59 + HG3 GLU 59 OK 53 53 - 100 Peak 1358 from cnoeabs.peaks (8.13, 4.07, 58.59 ppm; 3.74 A): 3 out of 21 assignments used, quality = 1.00: * H ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.0=100 H ARG 26 + HA GLU 25 OK 79 79 - 100 - 3.6=100 H ARG 71 + HA ARG 71 OK 58 58 - 100 - 2.9=100 H ARG 26 - HA ARG 71 OK 33 90 - 37 - 526=6, 530/3.8=4...(13) H ARG 71 - HA ARG 26 OK 28 71 - 40 - 775=8, 1390/3.7=5...(14) H ASN 74 - HA ARG 71 OK 12 67 - 18 - 4.0/6010=4, 5.6/6078=4...(7) H ASN 74 - HA ARG 26 OK 12 81 - 15 - 4.0/6010=3, 4.0/6009=3...(4) H THR 88 - HA ARG 26 lone 10 100 - 10 - 5380/3.6=4, 1390/3.7=1 H ARG 71 - HA GLU 25 poor 9 49 - 19 - 775=3, 904/2.9=3...(6) H THR 88 - HA GLU 25 lone 7 79 - 9 - 904/2.9=2, 3746/4.1=2 H ASN 74 - HA GLU 25 lone 6 57 - 10 - 5.6/6078=2, 4.0/6010=2 H LYS 85 - HA ARG 71 lone 4 56 - 8 - 5397/3.6=2, 5391/4.7=2 H LEU 57 - HA ARG 26 lone 4 83 - 4 - H ALA 78 - HA GLU 25 lone 3 64 - 5 - 904/2.9=1 H LYS 85 - HA ARG 26 lone 3 68 - 4 - H THR 88 - HA ARG 71 lone 3 90 - 3 - H ALA 78 - HA ARG 26 lone 2 89 - 2 - H LEU 57 - HA GLU 25 lone 2 59 - 4 - H LEU 57 - HA ARG 71 lone 2 69 - 2 - H LYS 85 - HA GLU 25 lone 2 47 - 3 - H ALA 78 - HA ARG 71 lone 1 75 - 1 - Peak 1359 from cnoeabs.peaks (4.07, 4.07, 58.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ARG 26 + HA ARG 26 OK 100 100 - 100 HA ARG 71 + HA ARG 71 OK 88 88 - 100 HA GLU 25 + HA GLU 25 OK 59 59 - 100 Peak 1360 from cnoeabs.peaks (1.88, 4.07, 58.59 ppm; 3.30 A): 4 out of 45 assignments used, quality = 1.00: * HB2 ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 71 + HA ARG 71 OK 56 56 - 100 - 3.0=100 HB2 ARG 71 + HA ARG 71 OK 53 53 - 100 - 3.0=100 HB2 ARG 26 - HA ARG 71 OK 36 90 - 40 - 3.0/1391=5, 1367=3...(12) HB3 ARG 26 - HA ARG 71 OK 36 90 - 40 - 3.0/1391=5, 1375=3...(13) HB2 ARG 66 - HA ARG 71 OK 33 89 - 37 - 1.8/5372=3, 2.8/5167=3...(13) HB2 ARG 66 - HA ARG 26 OK 26 100 - 26 - 4.0/5036=3, 2.8/5395=2...(9) HB3 ARG 71 - HA ARG 26 OK 26 68 - 38 - 2.8/2929=5, 4.0/775=4...(14) HB3 ARG 26 - HA GLU 25 OK 26 79 - 33 - 527/3.6=6, 3.0/1391=3...(10) HB2 ARG 26 - HA GLU 25 OK 26 79 - 32 - 527/3.6=6, 3.0/1391=3...(10) HB ILE 68 - HA ARG 71 OK 25 75 - 34 - ~15389=8, ~5389=8...(10) HB2 ARG 71 - HA ARG 26 OK 25 65 - 38 - 2.8/2929=5, 4.0/775=4...(14) HB3 ARG 27 - HA ARG 26 OK 20 68 - 30 - 62/3.6=4, ~5345=4...(13) HB2 ARG 27 - HA ARG 26 OK 19 65 - 30 - 62/3.6=4, ~5345=4...(13) HB3 PRO 14 - HA GLU 25 OK 13 76 - 16 - 1108/4.1=3, ~523=2...(8) HB3 PRO 34 - HA ARG 71 OK 11 88 - 12 - HB3 ARG 27 - HA ARG 71 OK 10 56 - 18 - 4.1/61=3, 2.9/1383=1 HB2 ARG 27 - HA ARG 71 poor 10 53 - 18 - 4.1/61=3, 2.9/1383=1 HB3 ARG 27 - HA GLU 25 poor 9 47 - 20 - 4.1/61=3, 4.3/5347=2...(5) HB3 PRO 34 - HA ARG 26 lone 9 99 - 9 - HB2 ARG 27 - HA GLU 25 poor 9 45 - 20 - 4.1/61=3, 4.3/5347=2...(5) HB3 PRO 14 - HA ARG 26 lone 8 99 - 8 - ~58=2 HB3 ARG 71 - HA GLU 25 poor 7 47 - 15 - 2.8/2929=2, 4.0/775=1...(5) HB2 ARG 71 - HA GLU 25 poor 7 45 - 15 - 2.8/2929=2, 4.0/775=1...(5) HB2 GLN 91 - HA ARG 26 lone 5 89 - 6 - 3.6/419=2 HB ILE 68 - HA ARG 26 lone 5 89 - 5 - HB2 ARG 66 - HA GLU 25 lone 4 78 - 5 - 527/3.6=1 HB ILE 68 - HA GLU 25 lone 4 64 - 6 - ~5377=2 HB2 GLN 91 - HA GLU 25 lone 3 64 - 4 - 3.6/419=2 HB2 MET 11 - HA ARG 26 lone 3 100 - 3 - HB3 GLU 87 - HA ARG 26 lone 3 63 - 4 - HB2 LYS 39 - HA ARG 71 lone 2 58 - 4 - HB3 PRO 14 - HA ARG 71 lone 2 88 - 2 - HB2 LYS 39 - HA ARG 26 lone 1 71 - 2 - HG12 ILE 40 - HA ARG 71 lone 1 58 - 2 - HB3 PRO 34 - HA GLU 25 lone 1 77 - 2 - HG12 ILE 40 - HA ARG 26 lone 1 71 - 2 - HB2 MET 11 - HA ARG 71 lone 1 89 - 1 - HB2 GLN 91 - HA ARG 71 lone 1 75 - 1 - HB2 MET 11 - HA GLU 25 lone 1 78 - 1 - HB3 GLU 87 - HA GLU 25 lone 1 43 - 2 - HG12 ILE 40 - HA GLU 25 lone 1 49 - 1 - HB3 GLU 87 - HA ARG 71 lone 1 51 - 1 - HB2 LYS 39 - HA GLU 25 lone 1 49 - 1 - Peak 1361 from cnoeabs.peaks (1.88, 4.07, 58.59 ppm; 3.30 A): 4 out of 48 assignments used, quality = 1.00: * HB3 ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.0=100 HB2 ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 71 + HA ARG 71 OK 53 53 - 100 - 3.0=100 HB2 ARG 71 + HA ARG 71 OK 51 51 - 100 - 3.0=100 HB3 ARG 26 - HA ARG 71 OK 36 90 - 40 - 3.0/1391=5, 1375=3...(13) HB2 ARG 26 - HA ARG 71 OK 36 90 - 40 - 3.0/1391=5, 1367=3...(12) HB2 ARG 66 - HA ARG 71 OK 32 89 - 37 - 1.8/5372=3, 2.8/5167=3...(13) HB ILE 68 - HA ARG 71 OK 26 77 - 34 - ~15389=8, ~5389=8...(10) HB2 ARG 66 - HA ARG 26 OK 26 100 - 26 - 4.0/5036=3, 2.8/5395=2...(9) HB3 ARG 26 - HA GLU 25 OK 26 79 - 33 - 527/3.6=6, 3.0/1391=3...(10) HB2 ARG 26 - HA GLU 25 OK 26 79 - 33 - 527/3.6=6, 3.0/1391=3...(10) HB3 ARG 71 - HA ARG 26 OK 25 65 - 38 - 2.8/2929=5, 4.0/775=4...(14) HB2 ARG 71 - HA ARG 26 OK 24 63 - 38 - 2.8/2929=5, 4.0/775=4...(14) HB3 ARG 27 - HA ARG 26 OK 19 65 - 30 - 62/3.6=4, ~5345=4...(13) HB2 ARG 27 - HA ARG 26 OK 18 63 - 30 - 62/3.6=4, ~5345=4...(13) HB3 PRO 14 - HA GLU 25 OK 13 77 - 16 - 1108/4.1=3, ~523=2...(8) HB3 PRO 34 - HA ARG 71 OK 11 88 - 12 - HB3 ARG 27 - HA ARG 71 poor 10 53 - 18 - 4.1/61=3, 2.9/1383=1 HB2 ARG 27 - HA ARG 71 poor 9 51 - 18 - 4.1/61=3, 2.9/1383=1 HB3 PRO 34 - HA ARG 26 lone 9 99 - 9 - HB3 ARG 27 - HA GLU 25 poor 9 45 - 20 - 4.1/61=3, 4.3/5347=2...(5) HB2 ARG 27 - HA GLU 25 poor 8 43 - 20 - 4.1/61=3, 4.3/5347=2...(5) HB3 PRO 14 - HA ARG 26 lone 8 99 - 8 - ~58=2 HB3 ARG 71 - HA GLU 25 poor 7 45 - 15 - 2.8/2929=2, 4.0/775=1...(5) HB2 ARG 71 - HA GLU 25 poor 6 43 - 15 - 2.8/2929=2, 4.0/775=1...(5) HB2 GLN 91 - HA ARG 26 lone 6 90 - 6 - 3.6/419=2 HB ILE 68 - HA ARG 26 lone 5 90 - 5 - HB2 ARG 66 - HA GLU 25 lone 4 78 - 5 - 527/3.6=1 HB ILE 68 - HA GLU 25 lone 4 66 - 6 - ~5377=2 HB2 GLU 19 - HA GLU 25 lone 3 40 - 8 - HB2 GLU 19 - HA ARG 26 lone 3 60 - 5 - HB2 GLN 91 - HA GLU 25 lone 3 66 - 4 - 3.6/419=2 HB3 GLU 87 - HA ARG 26 lone 3 65 - 4 - HB2 MET 11 - HA ARG 26 lone 3 100 - 3 - HB2 LYS 39 - HA ARG 71 lone 2 56 - 4 - HB3 PRO 14 - HA ARG 71 lone 2 88 - 2 - HG12 ILE 40 - HA ARG 71 lone 1 60 - 2 - HB3 PRO 34 - HA GLU 25 lone 1 76 - 2 - HB2 LYS 39 - HA ARG 26 lone 1 68 - 2 - HG12 ILE 40 - HA ARG 26 lone 1 73 - 2 - HB2 MET 11 - HA ARG 71 lone 1 89 - 1 - HB2 GLN 91 - HA ARG 71 lone 1 77 - 1 - HB2 MET 11 - HA GLU 25 lone 1 78 - 1 - HB3 GLU 87 - HA GLU 25 lone 1 45 - 2 - HG12 ILE 40 - HA GLU 25 lone 1 51 - 1 - HB3 GLU 87 - HA ARG 71 lone 1 53 - 1 - HB2 GLU 19 - HA ARG 71 lone 1 49 - 1 - HB2 LYS 39 - HA GLU 25 lone 0 47 - 1 - Peak 1362 from cnoeabs.peaks (1.62, 4.07, 58.59 ppm; 3.52 A): 2 out of 48 assignments used, quality = 0.99: * HG2 ARG 26 + HA ARG 26 OK 94 100 - 94 - 3.7=89, ~1390=9...(16) HG2 ARG 71 + HA ARG 71 OK 82 90 - 91 - 3.8=79, ~2928=8...(21) HG2 ARG 71 - HA ARG 26 OK 44 100 - 44 - 1.8/2929=7, 2921=5...(19) HG2 ARG 26 - HA ARG 71 OK 37 90 - 41 - 1.8/1391=7, 1383=4...(14) HG3 ARG 70 - HA ARG 71 OK 36 86 - 42 - ~307=5, 1.8/5395=5...(16) HG2 ARG 27 - HA ARG 26 OK 29 97 - 30 - 537/3.6=5, 529/3.0=3...(9) HG3 ARG 27 - HA ARG 26 OK 28 97 - 30 - 537/3.6=5, 529/3.0=3...(9) HG3 ARG 17 - HA ARG 71 OK 23 90 - 26 - 2932/3.8=2, 1383=1...(6) HG2 ARG 17 - HA ARG 71 OK 23 90 - 26 - 2932/3.8=2, 1383=1...(6) HG2 ARG 26 - HA GLU 25 OK 20 79 - 26 - 1.8/1391=5, 4.9/526=5...(10) HG2 ARG 27 - HA ARG 71 OK 19 85 - 23 - 5.0/61=2, 1383=2...(5) HG3 ARG 27 - HA ARG 71 OK 19 84 - 23 - 5.0/61=2, 1383=2...(5) HD3 LYS 32 - HA ARG 71 OK 16 86 - 18 - 2921=2, 1.8/2921=2...(5) HD2 LYS 32 - HA ARG 71 OK 15 84 - 18 - 2921=2, 1.8/2921=2...(5) HG2 ARG 17 - HA ARG 26 OK 15 100 - 15 - 1394/3.7=2, 64/3.6=1 HG3 ARG 17 - HA ARG 26 OK 15 100 - 15 - 1394/3.7=2, 64/3.6=1 HD2 LYS 73 - HA ARG 71 OK 13 84 - 16 - 2921=2, 5840/3.6=2...(5) HD3 LYS 73 - HA ARG 71 OK 13 84 - 16 - 2921=2, 5840/3.6=2...(5) HG3 ARG 70 - HA ARG 26 OK 13 98 - 13 - 5.0/775=3, 1.8/5395=2...(4) HG2 ARG 27 - HA GLU 25 OK 12 74 - 17 - 529/3.6=3, 5.0/61=3...(4) HG3 ARG 27 - HA GLU 25 OK 12 73 - 17 - 5.0/61=3, 529/3.6=3...(4) HG2 ARG 71 - HA GLU 25 OK 12 79 - 15 - 1.8/2929=3, 529/3.6=3...(4) HB2 LEU 86 - HA ARG 26 lone 9 99 - 9 - 1.8/5394=1 HB2 LEU 86 - HA ARG 71 lone 8 88 - 9 - 1.8/5394=1 HD3 LYS 32 - HA ARG 26 lone 7 98 - 7 - HD2 LYS 32 - HA ARG 26 lone 7 97 - 7 - HG LEU 86 - HA ARG 26 lone 6 76 - 8 - ~5516=1, 2.1/5349=1 HG2 ARG 84 - HA ARG 71 poor 6 51 - 12 - HG3 ARG 84 - HA ARG 71 poor 6 51 - 12 - HG LEU 86 - HA ARG 71 lone 5 63 - 8 - HD3 LYS 73 - HA ARG 26 lone 5 97 - 5 - HD2 LYS 73 - HA ARG 26 lone 5 97 - 5 - HG3 ARG 84 - HA ARG 26 lone 4 63 - 6 - HG2 ARG 84 - HA ARG 26 lone 4 63 - 6 - HG3 ARG 70 - HA GLU 25 lone 4 75 - 5 - 5.0/775=1 HG3 ARG 17 - HA GLU 25 lone 3 79 - 4 - HG2 ARG 17 - HA GLU 25 lone 3 78 - 4 - HB2 LEU 86 - HA GLU 25 lone 3 76 - 4 - HB3 LEU 51 - HA GLU 25 lone 3 55 - 5 - ~5084=1 HD3 LYS 32 - HA GLU 25 lone 3 75 - 4 - HD2 LYS 32 - HA GLU 25 lone 3 73 - 4 - HB3 LEU 51 - HA ARG 26 lone 2 78 - 3 - HB3 LEU 51 - HA ARG 71 lone 2 65 - 3 - HG LEU 86 - HA GLU 25 lone 2 53 - 3 - HD2 LYS 73 - HA GLU 25 lone 2 73 - 2 - HD3 LYS 73 - HA GLU 25 lone 2 73 - 2 - HG3 ARG 84 - HA GLU 25 lone 1 43 - 3 - HG2 ARG 84 - HA GLU 25 lone 1 43 - 3 - Peak 1363 from cnoeabs.peaks (1.75, 4.07, 58.59 ppm; 3.67 A): 3 out of 45 assignments used, quality = 1.00: * HG3 ARG 26 + HA ARG 26 OK 100 100 - 100 - 3.7=100 HG3 ARG 71 + HA ARG 71 OK 86 90 - 95 - 3.8=89, 2928/2.9=14...(20) HG3 ARG 71 + HA ARG 26 OK 48 100 - 49 - 2929=9, 2928/3.0=6...(17) HG3 ARG 26 - HA ARG 71 OK 43 90 - 48 - 1391=9, 1390/2.9=6...(16) HG3 ARG 26 - HA GLU 25 OK 30 79 - 39 - 1390/3.6=13, 5926/3.0=6...(10) HB2 LEU 62 - HA ARG 26 OK 28 100 - 28 - 4678=4, 1.8/5394=3...(12) HB3 ARG 17 - HA ARG 71 OK 20 89 - 23 - 1164/3.0=2, 1164/3.0=2...(7) HB2 LEU 62 - HA ARG 71 OK 17 90 - 19 - 779/2.9=2, 1.8/4186=2...(9) HG2 PRO 34 - HA ARG 71 OK 15 84 - 18 - 1723/3.0=2, 1723/3.0=2...(8) HG3 ARG 71 - HA GLU 25 OK 14 78 - 18 - 2928/3.6=5, 2929=3...(5) HG2 PRO 34 - HA ARG 26 OK 13 97 - 13 - 1723/3.0=2, 1723/3.0=2...(4) HB3 ARG 17 - HA ARG 26 OK 13 100 - 13 - 65/3.6=2, 530/3.0=1 HB2 LYS 32 - HA ARG 71 poor 8 58 - 14 - 779/2.9=1, 3.5/2921=1 HB3 LYS 32 - HA ARG 71 poor 8 58 - 14 - 779/2.9=1, 3.5/2921=1 HB2 LEU 57 - HA ARG 26 lone 6 87 - 7 - 2435/3.0=1 HB3 LYS 73 - HA ARG 71 poor 6 49 - 13 - 5841/3.6=2, 779/2.9=2...(5) HB2 ARG 84 - HA ARG 71 lone 6 65 - 9 - HB2 LEU 62 - HA GLU 25 lone 5 79 - 7 - 530/3.6=2 HB2 ARG 84 - HA ARG 26 lone 5 78 - 7 - HB3 LYS 32 - HA ARG 26 lone 4 71 - 6 - HB2 LYS 32 - HA ARG 26 lone 4 71 - 6 - HB2 ARG 54 - HA ARG 71 lone 4 75 - 5 - HB2 LEU 43 - HA ARG 26 lone 3 73 - 4 - HB3 LYS 73 - HA ARG 26 lone 3 60 - 5 - HB2 LEU 57 - HA ARG 71 lone 3 73 - 4 - HB3 ARG 82 - HA ARG 71 lone 3 75 - 4 - HB3 ARG 17 - HA GLU 25 lone 3 78 - 4 - 530/3.6=1 HB2 LEU 43 - HA ARG 71 lone 3 60 - 5 - HB ILE 33 - HA ARG 26 lone 3 83 - 3 - HB3 LYS 85 - HA ARG 71 lone 2 56 - 4 - HB2 ARG 54 - HA ARG 26 lone 2 89 - 2 - HB2 ARG 84 - HA GLU 25 lone 2 55 - 4 - HG2 PRO 34 - HA GLU 25 lone 2 73 - 3 - HB3 ARG 82 - HA ARG 26 lone 2 89 - 2 - HB ILE 33 - HA ARG 71 lone 2 69 - 3 - HB ILE 33 - HA GLU 25 lone 2 59 - 3 - HB2 LEU 57 - HA GLU 25 lone 2 62 - 3 - 2435/3.6=1 HB3 LYS 85 - HA ARG 26 lone 2 68 - 2 - HB3 LYS 32 - HA GLU 25 lone 2 49 - 3 - HB2 LYS 32 - HA GLU 25 lone 2 49 - 3 - HB2 ARG 54 - HA GLU 25 lone 1 64 - 2 - HB3 LYS 73 - HA GLU 25 lone 1 40 - 3 - HB2 LEU 43 - HA GLU 25 lone 1 51 - 2 - HB3 LYS 85 - HA GLU 25 lone 1 47 - 2 - HB3 ARG 82 - HA GLU 25 lone 1 64 - 1 - Peak 1364 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 7 out of 42 assignments used, quality = 1.00: * HD2 ARG 26 + HA ARG 26 OK 99 100 - 99 - 4.8=98, ~1390=12...(34) HD3 ARG 26 + HA ARG 26 OK 99 100 - 99 - 4.8=98, ~1390=12...(34) HD2 ARG 26 + HA ARG 71 OK 57 90 - 63 - 3.0/1391=10, ~1390=5...(25) HD3 ARG 26 + HA ARG 71 OK 57 90 - 63 - 3.0/1391=10, ~1390=5...(25) HD3 ARG 71 + HA ARG 71 OK 56 56 - 100 - 4.7=100 HD3 ARG 66 + HA ARG 71 OK 47 81 - 58 - 3.0/5167=7, 3.0/5395=5...(21) HD2 ARG 66 + HA ARG 71 OK 45 78 - 58 - 3.0/5167=7, 3.0/5395=5...(21) HD3 ARG 66 - HA ARG 26 OK 42 95 - 45 - 3.0/5167=5, 3.0/5395=5...(16) HD2 ARG 66 - HA ARG 26 OK 41 92 - 45 - 3.0/5167=5, 3.0/5395=5...(16) HD2 ARG 27 - HA ARG 26 OK 35 100 - 36 - 5382/3.6=6, 532/3.0=3...(12) HD3 ARG 27 - HA ARG 26 OK 35 100 - 36 - 5382/3.6=6, 532/3.0=3...(12) HD3 ARG 71 - HA ARG 26 OK 34 68 - 51 - 3.0/2929=10, 3.0/2921=6...(19) HD2 ARG 26 - HA GLU 25 OK 27 79 - 34 - 3.0/1391=7, 6.1/526=6...(13) HD3 ARG 26 - HA GLU 25 OK 27 79 - 34 - 3.0/1391=7, 6.1/526=6...(13) HD2 ARG 27 - HA ARG 71 OK 26 89 - 29 - 6.3/61=3, 3.0/1383=2...(8) HD3 ARG 27 - HA ARG 71 OK 26 89 - 29 - 6.3/61=3, 3.0/1383=2...(8) HD3 ARG 17 - HA ARG 71 OK 25 80 - 32 - 1.8/2937=3, 3.0/1383=1...(8) HD2 ARG 17 - HA ARG 71 OK 25 80 - 32 - 1.8/2937=3, 3.0/1383=1...(8) HD2 ARG 17 - HA ARG 26 OK 18 93 - 19 - 5382/3.6=2, 1396/3.7=2...(4) HD3 ARG 17 - HA ARG 26 OK 18 93 - 19 - 5382/3.6=2, 1396/3.7=2...(4) HD3 ARG 23 - HA ARG 71 OK 16 86 - 19 - 1.8/2937=1 HD2 ARG 23 - HA ARG 71 OK 16 86 - 19 - 1.8/2937=1 HD2 ARG 27 - HA GLU 25 OK 13 78 - 16 - 6.3/61=3, 532/3.6=3...(6) HD3 ARG 27 - HA GLU 25 OK 13 78 - 16 - 6.3/61=3, 532/3.6=3...(6) HD2 ARG 23 - HA ARG 26 OK 10 98 - 10 - 5382/3.6=2 HD3 ARG 23 - HA ARG 26 OK 10 98 - 10 - 5382/3.6=2 HD3 ARG 84 - HA ARG 71 poor 9 58 - 16 - 1.8/2937=2, 2.9/5394=1 HD2 ARG 84 - HA ARG 71 poor 9 53 - 16 - 1.8/2937=2, 2.9/5394=1 HD3 ARG 71 - HA GLU 25 poor 7 47 - 15 - 3.0/2929=4, 532/3.6=2...(5) HD3 ARG 84 - HA ARG 26 lone 7 71 - 9 - HD2 ARG 84 - HA ARG 26 lone 6 65 - 9 - HD3 ARG 66 - HA GLU 25 lone 6 70 - 8 - 532/3.6=2 HD2 ARG 66 - HA GLU 25 lone 6 67 - 8 - 532/3.6=2 HD2 ARG 17 - HA GLU 25 lone 3 69 - 5 - HD3 ARG 17 - HA GLU 25 lone 3 69 - 5 - HD2 ARG 23 - HA GLU 25 lone 3 75 - 4 - HD3 ARG 23 - HA GLU 25 lone 3 75 - 4 - HD3 ARG 84 - HA GLU 25 lone 2 49 - 4 - HD2 ARG 82 - HA ARG 71 lone 2 56 - 3 - HD2 ARG 84 - HA GLU 25 lone 2 45 - 4 - HD2 ARG 82 - HA ARG 26 lone 2 68 - 2 - HD2 ARG 82 - HA GLU 25 lone 1 47 - 2 - Peak 1365 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 7 out of 45 assignments used, quality = 1.00: * HD3 ARG 26 + HA ARG 26 OK 99 100 - 99 - 4.8=98, ~1390=12...(34) HD2 ARG 26 + HA ARG 26 OK 99 100 - 99 - 4.8=98, ~1390=12...(34) HD3 ARG 71 + HA ARG 71 OK 58 58 - 100 - 4.7=100 HD3 ARG 26 + HA ARG 71 OK 57 90 - 63 - 3.0/1391=10, ~1390=5...(25) HD2 ARG 26 + HA ARG 71 OK 57 90 - 63 - 3.0/1391=10, ~1390=5...(25) HD3 ARG 66 + HA ARG 71 OK 48 83 - 58 - 3.0/5167=7, 3.0/5395=5...(21) HD2 ARG 66 + HA ARG 71 OK 46 80 - 58 - 3.0/5167=7, 3.0/5395=5...(22) HD3 ARG 66 - HA ARG 26 OK 43 96 - 45 - 3.0/5167=5, 3.0/5395=5...(16) HD2 ARG 66 - HA ARG 26 OK 41 93 - 45 - 3.0/5167=5, 3.0/5395=5...(16) HD3 ARG 71 - HA ARG 26 OK 36 71 - 51 - 3.0/2929=10, 3.0/2921=6...(19) HD2 ARG 27 - HA ARG 26 OK 35 99 - 36 - 5382/3.6=6, 532/3.0=3...(12) HD3 ARG 27 - HA ARG 26 OK 35 99 - 36 - 5382/3.6=6, 532/3.0=3...(12) HD3 ARG 70 - HA ARG 71 OK 29 49 - 61 - ~307=7, 3.0/5395=7...(22) HD3 ARG 26 - HA GLU 25 OK 27 79 - 34 - 3.0/1391=7, 6.1/526=6...(13) HD2 ARG 26 - HA GLU 25 OK 27 79 - 34 - 3.0/1391=7, 6.1/526=6...(13) HD2 ARG 27 - HA ARG 71 OK 25 88 - 29 - 6.3/61=3, 3.0/1383=2...(8) HD3 ARG 27 - HA ARG 71 OK 25 88 - 29 - 6.3/61=3, 3.0/1383=2...(8) HD3 ARG 17 - HA ARG 71 OK 24 78 - 31 - 1.8/2937=3, 3.0/1383=1...(8) HD2 ARG 17 - HA ARG 71 OK 24 78 - 31 - 1.8/2937=3, 3.0/1383=1...(8) HD3 ARG 17 - HA ARG 26 OK 17 92 - 19 - 5382/3.6=2, 1396/3.7=2...(4) HD2 ARG 17 - HA ARG 26 OK 17 92 - 19 - 5382/3.6=2, 1396/3.7=2...(4) HD2 ARG 23 - HA ARG 71 OK 16 85 - 18 - 1.8/2937=1 HD3 ARG 23 - HA ARG 71 OK 16 85 - 18 - 1.8/2937=1 HD2 ARG 27 - HA GLU 25 OK 12 77 - 16 - 6.3/61=3, 532/3.6=3...(6) HD3 ARG 27 - HA GLU 25 OK 12 77 - 16 - 6.3/61=3, 532/3.6=3...(6) HD3 ARG 70 - HA ARG 26 OK 10 60 - 17 - 3.0/5395=2, 3.5/5372=2 HD3 ARG 23 - HA ARG 26 OK 10 97 - 10 - 5382/3.6=2 HD2 ARG 23 - HA ARG 26 OK 10 97 - 10 - 5382/3.6=2 HD3 ARG 84 - HA ARG 71 poor 9 56 - 16 - 1.8/2937=2, 2.9/5394=1 HD2 ARG 84 - HA ARG 71 poor 8 51 - 16 - 1.8/2937=2, 2.9/5394=1 HD3 ARG 71 - HA GLU 25 poor 7 49 - 15 - 3.0/2929=4, 532/3.6=2...(5) HD3 ARG 84 - HA ARG 26 lone 6 68 - 9 - HD3 ARG 66 - HA GLU 25 lone 6 71 - 8 - 532/3.6=2 HD2 ARG 66 - HA GLU 25 lone 6 69 - 8 - 532/3.6=2 HD2 ARG 84 - HA ARG 26 lone 6 63 - 9 - HD2 ARG 17 - HA GLU 25 lone 3 67 - 5 - HD3 ARG 17 - HA GLU 25 lone 3 67 - 5 - HD2 ARG 23 - HA GLU 25 lone 3 74 - 4 - HD3 ARG 23 - HA GLU 25 lone 3 74 - 4 - HD3 ARG 70 - HA GLU 25 lone 2 40 - 5 - HD3 ARG 84 - HA GLU 25 lone 2 47 - 4 - HD2 ARG 82 - HA ARG 71 lone 2 53 - 3 - HD2 ARG 82 - HA ARG 26 lone 2 65 - 2 - HD2 ARG 84 - HA GLU 25 lone 2 43 - 4 - HD2 ARG 82 - HA GLU 25 lone 1 45 - 2 - Peak 1366 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 2 out of 56 assignments used, quality = 0.98: H ARG 26 + HB3 ARG 26 OK 86 100 - 86 - 3.9=72, 1390/3.0=14...(15) * H ARG 26 + HB2 ARG 26 OK 86 100 - 86 - 3.9=72, 1390/3.0=14...(15) H THR 88 - HB3 GLU 87 OK 29 46 - 62 - 4.6=44, 402/3.0=25...(5) H ARG 71 - HB3 ARG 71 OK 25 31 - 81 - 4.0=68, 5397/4.4=8...(14) H ARG 26 - HB3 ARG 27 OK 24 56 - 43 - 5380/4.1=13, 5345/3.0=10...(10) H ARG 71 - HB3 ARG 26 OK 24 71 - 34 - 1390/3.0=5, 775/3.0=4...(10) H ARG 71 - HB2 ARG 26 OK 24 71 - 34 - 1390/3.0=5, 775/3.0=4...(10) H ARG 71 - HB2 ARG 71 OK 24 30 - 81 - 4.0=68, 5397/4.4=8...(14) H ARG 71 - HB2 ARG 66 OK 24 69 - 34 - 306/1.8=5, 307/2.8=4...(17) H ARG 26 - HB2 ARG 27 OK 23 54 - 43 - 5380/4.1=13, 5345/3.0=10...(10) H ARG 26 - HB3 ARG 71 OK 18 54 - 33 - 530/2.8=5, 526/3.0=3...(12) H ARG 26 - HB2 ARG 71 OK 17 51 - 33 - 530/2.8=5, 526/3.0=3...(10) H ARG 26 - HB2 ARG 66 OK 16 100 - 16 - 527=2, ~5167=2, ~5165=1...(8) H THR 88 - HB2 ARG 26 lone 8 100 - 8 - 5380/4.6=3, 1390/3.0=1 H THR 88 - HB3 ARG 26 lone 8 100 - 8 - 5380/4.6=3, 1390/3.0=1 H THR 88 - HB3 ARG 27 poor 6 56 - 10 - 873/3.0=4, 5380/4.1=3, ~3587=1 H THR 88 - HB2 ARG 27 poor 6 54 - 10 - 873/3.0=4, 5380/4.1=3, ~3587=1 H ARG 71 - HB3 ARG 27 poor 5 33 - 16 - 5380/4.1=3, 777/1.8=2...(4) H ARG 71 - HB2 ARG 27 poor 5 32 - 16 - 5380/4.1=3, 776/1.8=1...(4) H ASN 74 - HB2 ARG 26 lone 3 81 - 4 - H ASN 74 - HB3 ARG 26 lone 3 81 - 4 - H ARG 26 - HB3 GLU 87 lone 2 46 - 5 - 4030/3.0=1, 5899/4.0=1 H LEU 57 - HB3 ARG 26 lone 2 83 - 2 - H LEU 57 - HB2 ARG 26 lone 2 83 - 2 - H ASN 74 - HB3 ARG 71 lone 2 37 - 5 - 322/4.4=2 H LEU 57 - HB2 ARG 66 lone 2 81 - 2 - H ASN 74 - HB2 ARG 71 lone 2 35 - 5 - 322/4.4=2 H LYS 85 - HB2 ARG 26 lone 2 68 - 2 - H LYS 85 - HB3 ARG 26 lone 2 68 - 2 - H LYS 85 - HB3 ARG 71 lone 1 30 - 4 - 5397/4.4=1 H THR 88 - HB2 ARG 66 lone 1 100 - 1 - H LYS 85 - HB2 ARG 71 lone 1 28 - 4 - 5397/4.4=1 H ALA 78 - HB3 ARG 26 lone 1 89 - 1 - H ALA 78 - HB2 ARG 26 lone 1 89 - 1 - H ASN 74 - HB3 ARG 27 lone 1 39 - 3 - H ASN 74 - HB2 ARG 27 lone 1 37 - 3 - H LYS 85 - HB3 GLU 87 lone 1 25 - 4 - 5899/4.0=2, 4030/3.0=1 H LYS 85 - HB2 ARG 66 lone 1 67 - 1 - H THR 88 - HB3 ARG 71 lone 1 54 - 2 - H ALA 78 - HB2 ARG 66 lone 1 87 - 1 - H THR 88 - HB2 ARG 71 lone 1 51 - 2 - H LEU 57 - HB3 ARG 27 lone 1 40 - 2 - H ASN 74 - HB2 ARG 66 lone 1 79 - 1 - H ARG 71 - HB3 GLU 87 lone 1 27 - 3 - 5899/4.0=1 H LEU 57 - HB2 ARG 27 lone 1 38 - 2 - H ALA 78 - HB3 ARG 27 lone 1 44 - 2 - H ALA 78 - HB2 ARG 27 lone 1 42 - 2 - H LYS 85 - HB3 ARG 27 lone 1 32 - 2 - H LYS 85 - HB2 ARG 27 lone 1 30 - 2 - H LEU 57 - HB3 GLU 87 lone 1 33 - 2 - H ALA 78 - HB3 GLU 87 lone 1 36 - 2 - H LEU 57 - HB3 ARG 71 lone 0 38 - 1 - H LEU 57 - HB2 ARG 71 lone 0 36 - 1 - H ASN 74 - HB3 GLU 87 lone 0 31 - 1 - H ALA 78 - HB3 ARG 71 lone 0 42 - 1 - H ALA 78 - HB2 ARG 71 lone 0 40 - 1 - Peak 1367 from cnoeabs.peaks (4.07, 1.88, 29.99 ppm; 3.35 A): 5 out of 48 assignments used, quality = 1.00: * HA ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HA ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HA ARG 71 + HB3 ARG 71 OK 51 51 - 100 - 3.0=100 HA ARG 71 + HB2 ARG 71 OK 49 49 - 100 - 3.0=100 HA ALA 63 + HB2 ARG 66 OK 47 98 - 48 - 4691/4.0=13, 4684/1.8=9...(11) HA ARG 71 - HB3 ARG 26 OK 41 99 - 41 - 1391/3.0=5, 61/4.6=2...(14) HA ARG 71 - HB2 ARG 26 OK 41 99 - 41 - 1391/3.0=5, 61/4.6=2...(14) HA ARG 71 - HB2 ARG 66 OK 37 98 - 38 - 5372/1.8=3, 5167/2.8=3...(15) HA GLU 25 - HB3 ARG 26 OK 27 83 - 33 - 3.6/527=6, 1391/3.0=3...(12) HA GLU 25 - HB2 ARG 26 OK 27 83 - 33 - 3.6/527=6, 1391/3.0=3...(12) HA ARG 26 - HB2 ARG 66 OK 27 100 - 27 - 5036/4.0=3, 5395/2.8=3...(10) HA ARG 26 - HB3 ARG 71 OK 21 54 - 39 - 2929/2.8=5, 775/4.0=4...(14) HA ARG 26 - HB2 ARG 71 OK 20 51 - 39 - 2929/2.8=5, 775/4.0=4...(14) HA ARG 26 - HB3 ARG 27 OK 17 56 - 30 - 3.6/62=4, ~5345=4...(13) HA ARG 26 - HB2 ARG 27 OK 16 54 - 30 - 3.6/62=4, ~5345=4...(13) HA ALA 63 - HB3 ARG 26 OK 16 99 - 16 - 5369=2, 5369/1.8=2...(5) HA ALA 63 - HB2 ARG 26 OK 16 99 - 16 - 5369=2, 5369/1.8=2...(5) HA VAL 90 - HB2 ARG 66 OK 12 98 - 12 - 5167/2.8=1, 5036/4.0=1 HA ARG 71 - HB3 ARG 27 OK 10 54 - 19 - 61/4.1=3, 1383/2.9=1, 1383/2.9=1 HA ARG 71 - HB2 ARG 27 poor 10 52 - 19 - 61/4.1=3, 1383/2.9=1, 1383/2.9=1 HA ALA 63 - HB3 ARG 71 poor 10 51 - 19 - 5369=2, 5369/1.8=2...(6) HA ALA 63 - HB2 ARG 71 poor 9 49 - 19 - 5369/1.8=2, 5369=2...(6) HA GLU 25 - HB3 ARG 27 poor 8 40 - 20 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB2 ARG 27 poor 8 38 - 20 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB3 ARG 71 poor 6 38 - 15 - 2929/2.8=2, 775/4.0=2...(6) HA GLU 25 - HB2 ARG 71 poor 6 36 - 15 - 2929/2.8=2, 775/4.0=2...(6) HA VAL 90 - HB2 ARG 26 lone 5 99 - 5 - HA VAL 90 - HB3 ARG 26 lone 5 99 - 5 - HA GLU 25 - HB2 ARG 66 lone 5 81 - 6 - 3.6/527=1 HA ALA 63 - HB3 ARG 27 lone 3 54 - 5 - HA ALA 63 - HB2 ARG 27 lone 3 52 - 5 - HA ARG 26 - HB3 GLU 87 lone 2 46 - 4 - HA VAL 90 - HB3 ARG 71 lone 2 51 - 3 - HA VAL 90 - HB2 ARG 71 lone 1 49 - 3 - HA GLU 59 - HB2 ARG 26 lone 1 73 - 2 - HA GLU 59 - HB3 ARG 26 lone 1 73 - 2 - HA VAL 90 - HB3 GLU 87 lone 1 44 - 3 - 3.6/889=1 HA GLU 59 - HB2 ARG 66 lone 1 72 - 1 - HA VAL 90 - HB3 ARG 27 lone 1 54 - 1 - HA VAL 90 - HB2 ARG 27 lone 1 52 - 1 - HA GLU 25 - HB3 GLU 87 lone 1 33 - 2 - HA ARG 71 - HB3 GLU 87 lone 1 44 - 1 - HA GLU 59 - HB3 ARG 71 lone 0 33 - 1 - HA GLU 59 - HB2 ARG 71 lone 0 31 - 1 - HA ALA 63 - HB3 GLU 87 lone 0 44 - 1 - HA GLU 59 - HB3 ARG 27 lone 0 35 - 1 - HA GLU 59 - HB2 ARG 27 lone 0 33 - 1 - HA GLU 59 - HB3 GLU 87 lone 0 28 - 0 - Peak 1368 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 HB3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 HB2 ARG 66 + HB2 ARG 66 OK 99 99 - 100 HB3 ARG 27 - HB3 ARG 27 OK 32 32 - 100 HB3 ARG 71 - HB3 ARG 71 OK 30 30 - 100 HB2 ARG 27 - HB2 ARG 27 OK 29 29 - 100 HB2 ARG 71 - HB2 ARG 71 OK 27 27 - 100 HB3 GLU 87 - HB3 GLU 87 OK 23 23 - 100 Peak 1369 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 3 out of 8 assignments used, quality = 1.00: HB3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 HB2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 HB2 ARG 66 + HB2 ARG 66 OK 99 99 - 100 HB3 ARG 27 - HB3 ARG 27 OK 30 30 - 100 HB3 ARG 71 - HB3 ARG 71 OK 28 28 - 100 HB2 ARG 27 - HB2 ARG 27 OK 27 27 - 100 HB2 ARG 71 - HB2 ARG 71 OK 26 26 - 100 HB3 GLU 87 - HB3 GLU 87 OK 24 24 - 100 Reference assignment not found: HB3 ARG 26 - HB2 ARG 26 Peak 1370 from cnoeabs.peaks (1.62, 1.88, 29.99 ppm; 3.27 A): 11 out of 128 assignments used, quality = 1.00: * HG2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HG2 ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 70 + HB2 ARG 66 OK 54 97 - 56 - ~2867=4, ~2866=4...(26) HG2 ARG 71 + HB3 ARG 71 OK 53 53 - 100 - 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 52 52 - 100 - 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 51 51 - 100 - 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 51 51 - 100 - 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 50 50 - 100 - 2.9=100 HG3 ARG 27 + HB2 ARG 27 OK 49 49 - 100 - 2.9=100 HG2 ARG 71 + HB3 ARG 26 OK 45 100 - 46 - 1394/3.0=4, ~2929=3...(19) HG2 ARG 71 + HB2 ARG 26 OK 45 100 - 46 - 1394/3.0=4, ~2929=3...(19) HG2 ARG 27 - HB3 ARG 26 OK 30 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG2 ARG 27 - HB2 ARG 26 OK 30 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG3 ARG 27 - HB3 ARG 26 OK 29 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG3 ARG 27 - HB2 ARG 26 OK 29 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG2 ARG 26 - HB2 ARG 66 OK 24 100 - 24 - 1.8/1393=2, 1385=1...(4) HG2 ARG 26 - HB3 ARG 71 OK 23 54 - 44 - 2932/2.8=3, 1.8/1392=3...(14) HG2 ARG 26 - HB2 ARG 71 OK 22 51 - 44 - 2932/2.8=3, 1.8/1392=3...(14) HG2 ARG 71 - HB2 ARG 66 OK 20 100 - 20 - 2927/3.4=1, ~2935=1, 2927/3.4=1 HG3 ARG 17 - HB3 ARG 26 OK 20 100 - 20 - 1394/3.0=2 HG2 ARG 17 - HB3 ARG 26 OK 20 100 - 20 - 1394/3.0=2 HG3 ARG 17 - HB2 ARG 26 OK 19 100 - 20 - 1394/3.0=2 HG2 ARG 17 - HB2 ARG 26 OK 19 100 - 20 - 1394/3.0=2 HG2 ARG 26 - HB3 ARG 27 OK 17 56 - 30 - 537/4.1=2, 1418/3.0=2...(7) HG3 ARG 17 - HB3 ARG 71 OK 16 53 - 31 - 2932/2.8=3, ~2932=1...(5) HG2 ARG 17 - HB3 ARG 71 OK 16 53 - 31 - 2932/2.8=3, ~2932=1...(5) HG2 ARG 26 - HB2 ARG 27 OK 16 54 - 30 - 537/4.1=2, 1418/3.0=2...(7) HG3 ARG 17 - HB2 ARG 71 OK 16 51 - 31 - 2932/2.8=3, ~2932=1...(4) HG2 ARG 17 - HB2 ARG 71 OK 16 51 - 31 - 2932/2.8=3, ~2932=1...(4) HG2 ARG 71 - HB3 ARG 27 OK 12 56 - 22 - 64/4.1=1, 1.8/2931=1...(6) HG2 ARG 71 - HB2 ARG 27 OK 12 54 - 22 - 64/4.1=1, 1.8/2931=1...(6) HG3 ARG 70 - HB3 ARG 71 OK 11 50 - 22 - 778/4.0=3, ~5395=2...(6) HG2 ARG 27 - HB3 ARG 71 OK 11 49 - 21 - 2932/2.8=2 HG3 ARG 70 - HB2 ARG 26 OK 10 98 - 11 - HG3 ARG 70 - HB3 ARG 26 OK 10 98 - 11 - HG3 ARG 27 - HB3 ARG 71 OK 10 48 - 21 - 2932/2.8=2 HG3 ARG 70 - HB2 ARG 71 OK 10 48 - 22 - 778/4.0=3, ~5395=2...(6) HG2 ARG 27 - HB2 ARG 71 OK 10 47 - 21 - 2932/2.8=2 HG3 ARG 27 - HB2 ARG 71 poor 10 46 - 21 - 2932/2.8=2 HG2 ARG 27 - HB2 ARG 66 lone 10 96 - 10 - HG3 ARG 27 - HB2 ARG 66 lone 9 96 - 10 - HD3 LYS 32 - HB3 ARG 71 poor 9 50 - 18 - 2932/2.8=1, 2921/3.0=1 HG3 ARG 17 - HB3 ARG 27 poor 9 56 - 15 - 1418/3.0=1, 64/4.1=1 HG2 ARG 17 - HB3 ARG 27 poor 9 56 - 15 - 1418/3.0=1, 64/4.1=1 HD3 LYS 32 - HB2 ARG 71 poor 8 48 - 18 - 2932/2.8=1, 2921/3.0=1 HD2 LYS 32 - HB3 ARG 71 poor 8 48 - 17 - 2932/2.8=1, 2921/3.0=1 HG3 ARG 17 - HB2 ARG 27 poor 8 54 - 15 - 1418/3.0=1, 64/4.1=1 HG2 ARG 17 - HB2 ARG 27 poor 8 54 - 15 - 1418/3.0=1, 64/4.1=1 HD2 LYS 32 - HB2 ARG 71 poor 8 46 - 17 - 2932/2.8=1, 2921/3.0=1 HD3 LYS 32 - HB3 ARG 26 lone 7 98 - 7 - HD3 LYS 32 - HB2 ARG 26 lone 7 98 - 7 - HD2 LYS 32 - HB3 ARG 26 lone 7 97 - 7 - HD2 LYS 32 - HB2 ARG 26 lone 7 97 - 7 - HB2 LEU 86 - HB3 ARG 26 lone 7 99 - 7 - HB2 LEU 86 - HB2 ARG 26 lone 7 99 - 7 - HD3 LYS 73 - HB3 ARG 71 poor 6 48 - 12 - 5840/4.4=1, 2921/3.0=1 HD2 LYS 73 - HB3 ARG 71 poor 6 48 - 12 - 5840/4.4=1, 2921/3.0=1 HD3 LYS 32 - HB2 ARG 66 lone 6 97 - 6 - HD3 LYS 73 - HB2 ARG 71 poor 6 46 - 12 - 5840/4.4=1, 2921/3.0=1 HD2 LYS 73 - HB2 ARG 71 poor 6 46 - 12 - 5840/4.4=1, 2921/3.0=1 HD2 LYS 32 - HB2 ARG 66 lone 5 96 - 6 - HG3 ARG 17 - HB2 ARG 66 lone 5 100 - 5 - HG2 ARG 17 - HB2 ARG 66 lone 5 99 - 5 - HB2 LEU 86 - HB3 GLU 87 poor 5 44 - 12 - 3521/3.0=3, 4.6/868=3...(4) HG LEU 86 - HB3 ARG 26 lone 5 76 - 6 - HG LEU 86 - HB2 ARG 26 lone 5 76 - 6 - HG2 ARG 84 - HB3 ARG 26 lone 4 63 - 7 - HG3 ARG 84 - HB3 ARG 26 lone 4 63 - 7 - HG3 ARG 84 - HB2 ARG 26 lone 4 63 - 7 - HG2 ARG 84 - HB2 ARG 26 lone 4 63 - 7 - HD2 LYS 73 - HB3 ARG 26 lone 3 97 - 4 - HD3 LYS 73 - HB3 ARG 26 lone 3 97 - 4 - HD2 LYS 73 - HB2 ARG 26 lone 3 97 - 4 - HD3 LYS 73 - HB2 ARG 26 lone 3 97 - 4 - HG3 ARG 84 - HB3 ARG 71 poor 3 27 - 12 - HG2 ARG 84 - HB3 ARG 71 poor 3 27 - 12 - HB2 LEU 86 - HB3 ARG 71 lone 3 51 - 6 - HG2 ARG 84 - HB2 ARG 71 poor 3 26 - 12 - HG3 ARG 84 - HB2 ARG 71 poor 3 26 - 12 - HB2 LEU 86 - HB2 ARG 71 lone 3 49 - 6 - HD3 LYS 32 - HB3 ARG 27 lone 3 53 - 5 - 72/4.3=1 HD3 LYS 32 - HB2 ARG 27 lone 3 51 - 5 - 72/4.3=1 HB2 LEU 86 - HB2 ARG 66 lone 2 98 - 2 - HD2 LYS 32 - HB3 ARG 27 lone 3 51 - 5 - HD2 LYS 73 - HB2 ARG 66 lone 2 96 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 2 96 - 2 - HD2 LYS 32 - HB2 ARG 27 lone 2 49 - 5 - HG LEU 86 - HB3 GLU 87 lone 2 29 - 8 - 396/4.0=2, ~3521=1...(4) HG LEU 86 - HB2 ARG 66 lone 2 75 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 2 53 - 4 - HG LEU 86 - HB3 ARG 71 lone 2 34 - 5 - HG3 ARG 70 - HB2 ARG 27 lone 2 51 - 4 - HG LEU 86 - HB2 ARG 71 lone 2 32 - 5 - HB2 LEU 86 - HB3 ARG 27 lone 2 54 - 3 - HB3 LEU 51 - HB2 ARG 26 lone 2 78 - 2 - HB3 LEU 51 - HB3 ARG 26 lone 2 78 - 2 - HB2 LEU 86 - HB2 ARG 27 lone 2 52 - 3 - HG2 ARG 26 - HB3 GLU 87 lone 1 46 - 3 - HB3 LEU 51 - HB2 ARG 66 lone 1 77 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 51 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 51 - 2 - HD2 LYS 73 - HB2 ARG 27 lone 1 49 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 1 49 - 2 - HG3 ARG 84 - HB2 ARG 66 lone 1 62 - 2 - HG2 ARG 84 - HB2 ARG 66 lone 1 62 - 2 - HG LEU 86 - HB3 ARG 27 lone 1 36 - 3 - HG LEU 86 - HB2 ARG 27 lone 1 34 - 3 - HB3 LEU 51 - HB3 ARG 71 lone 1 35 - 2 - HB3 LEU 51 - HB2 ARG 71 lone 1 34 - 2 - HG2 ARG 84 - HB3 ARG 27 lone 1 29 - 2 - HG3 ARG 84 - HB3 ARG 27 lone 1 29 - 2 - HG2 ARG 84 - HB2 ARG 27 lone 1 27 - 2 - HG3 ARG 84 - HB2 ARG 27 lone 1 27 - 2 - HG3 ARG 17 - HB3 GLU 87 lone 1 46 - 1 - HG2 ARG 17 - HB3 GLU 87 lone 1 46 - 1 - HG2 ARG 27 - HB3 GLU 87 lone 1 42 - 1 - HG3 ARG 27 - HB3 GLU 87 lone 1 42 - 1 - HG3 ARG 70 - HB3 GLU 87 lone 1 43 - 1 - HB3 LEU 51 - HB3 GLU 87 lone 1 30 - 2 - HG2 ARG 71 - HB3 GLU 87 lone 0 46 - 1 - HB3 LEU 51 - HB3 ARG 27 lone 0 37 - 1 - HB3 LEU 51 - HB2 ARG 27 lone 0 36 - 1 - HD3 LYS 73 - HB3 GLU 87 lone 0 42 - 1 - HD2 LYS 73 - HB3 GLU 87 lone 0 42 - 1 - HD3 LYS 32 - HB3 GLU 87 lone 0 43 - 1 - HD2 LYS 32 - HB3 GLU 87 lone 0 42 - 1 - HG2 ARG 84 - HB3 GLU 87 lone 0 23 - 1 - HG3 ARG 84 - HB3 GLU 87 lone 0 23 - 1 - Peak 1371 from cnoeabs.peaks (1.75, 1.88, 29.99 ppm; 3.16 A): 4 out of 120 assignments used, quality = 1.00: * HG3 ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 53 53 - 100 - 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 51 51 - 100 - 2.8=100 HG3 ARG 71 - HB3 ARG 26 OK 45 100 - 45 - 2929/3.0=5, 2928/3.9=3...(11) HG3 ARG 71 - HB2 ARG 26 OK 45 100 - 45 - 2929/3.0=5, 2928/3.9=3...(11) HG3 ARG 26 - HB3 ARG 71 OK 24 54 - 46 - 1391/3.0=4, 1394/2.8=4...(10) HG3 ARG 26 - HB2 ARG 66 OK 24 100 - 24 - 1393=3, 1396/3.4=1, 1397/3.4=1 HG3 ARG 26 - HB2 ARG 71 OK 23 51 - 46 - 1391/3.0=4, 1394/2.8=4...(9) HG3 ARG 71 - HB2 ARG 66 OK 19 99 - 20 - 2935/3.4=2, 2935/3.4=2, 2931=1 HG3 ARG 26 - HB3 ARG 27 OK 19 56 - 34 - 65/4.1=3, 1392=3...(12) HG2 PRO 34 - HB2 ARG 26 OK 19 97 - 19 - 1723=3, 1723/1.8=2...(7) HG2 PRO 34 - HB3 ARG 26 OK 19 97 - 19 - 1723=3, 1723/1.8=2...(7) HG3 ARG 26 - HB2 ARG 27 OK 18 54 - 34 - 65/4.1=3, 1392=3...(12) HB3 ARG 17 - HB2 ARG 26 OK 15 100 - 15 - 65/4.6=1 HB3 ARG 17 - HB3 ARG 26 OK 15 100 - 15 - 65/4.6=1 HB2 LEU 62 - HB3 ARG 26 OK 13 100 - 14 - 4678/3.0=2, 530/3.9=1 HB2 LEU 62 - HB2 ARG 26 OK 13 100 - 14 - 4678/3.0=2, 530/3.9=1 HG3 ARG 71 - HB3 ARG 27 OK 13 56 - 23 - 65/4.1=2, 2930/1.8=2...(5) HG3 ARG 71 - HB2 ARG 27 OK 12 54 - 23 - 65/4.1=2, 2930/1.8=2...(5) HG2 PRO 34 - HB3 ARG 71 OK 12 48 - 25 - 1723=3, 1723/1.8=2...(9) HB3 ARG 17 - HB3 ARG 71 OK 12 52 - 23 - ~1148=2, 1167/2.8=1...(7) HG2 PRO 34 - HB2 ARG 71 OK 11 46 - 25 - 1723=3, 1723/1.8=2...(9) HB3 ARG 17 - HB2 ARG 71 OK 11 50 - 23 - ~1148=2, 1167/2.8=1...(7) HB3 ARG 17 - HB3 ARG 27 poor 7 55 - 12 - 65/4.1=1 HB3 ARG 17 - HB2 ARG 27 poor 6 53 - 12 - 65/4.1=1 HG2 PRO 34 - HB3 ARG 27 poor 5 51 - 10 - 1723=1 HB2 LYS 32 - HB2 ARG 66 lone 5 69 - 7 - HB3 LYS 32 - HB2 ARG 66 lone 5 69 - 7 - HB2 LEU 62 - HB3 ARG 71 lone 5 53 - 9 - 779/4.0=1, 3907/4.4=1 HG2 PRO 34 - HB2 ARG 27 poor 5 49 - 10 - 1723=1, 1723/1.8=1 HB2 LEU 62 - HB2 ARG 71 lone 5 51 - 9 - 779/4.0=1, 3907/4.4=1 HB ILE 33 - HB2 ARG 66 lone 5 81 - 6 - 1651/4.6=1 HB2 LYS 32 - HB3 ARG 26 lone 4 71 - 6 - HB3 LYS 32 - HB3 ARG 26 lone 4 71 - 6 - HB2 LYS 32 - HB2 ARG 26 lone 4 71 - 6 - HB3 LYS 32 - HB2 ARG 26 lone 4 71 - 6 - HG2 PRO 34 - HB2 ARG 66 lone 4 96 - 4 - HB3 LYS 32 - HB3 ARG 71 poor 4 31 - 13 - HB2 LYS 32 - HB3 ARG 71 poor 4 31 - 13 - HB2 ARG 84 - HB3 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HB2 ARG 26 lone 4 78 - 5 - HB2 LYS 32 - HB2 ARG 71 poor 4 30 - 13 - HB3 LYS 32 - HB2 ARG 71 poor 4 30 - 13 - HB2 LEU 62 - HB2 ARG 66 lone 4 100 - 4 - HB2 LEU 43 - HB2 ARG 66 lone 3 72 - 5 - HB ILE 33 - HB2 ARG 26 lone 3 83 - 4 - HB ILE 33 - HB3 ARG 26 lone 3 83 - 4 - HB2 LEU 57 - HB2 ARG 66 lone 3 86 - 4 - HB2 LEU 43 - HB2 ARG 26 lone 3 73 - 4 - HB2 LEU 43 - HB3 ARG 26 lone 3 73 - 4 - HB2 LEU 57 - HB2 ARG 26 lone 3 87 - 3 - HB2 LEU 57 - HB3 ARG 26 lone 3 87 - 3 - HG2 PRO 34 - HB3 GLU 87 lone 3 42 - 6 - 1721/3.0=1, ~1728=1 HB3 ARG 17 - HB2 ARG 66 lone 2 99 - 2 - HB2 ARG 84 - HB3 ARG 71 lone 2 35 - 6 - HB2 ARG 84 - HB2 ARG 71 lone 2 34 - 6 - HB3 LYS 73 - HB3 ARG 71 lone 2 26 - 7 - 5841/4.4=1 HB3 LYS 73 - HB2 ARG 71 lone 2 24 - 7 - 5841/4.4=1 HB3 ARG 82 - HB2 ARG 66 lone 2 87 - 2 - HB3 ARG 82 - HB2 ARG 26 lone 1 89 - 1 - HB3 ARG 82 - HB3 ARG 26 lone 1 89 - 1 - HB2 ARG 54 - HB2 ARG 26 lone 1 89 - 2 - HB2 ARG 54 - HB3 ARG 26 lone 1 89 - 2 - HB3 LYS 73 - HB2 ARG 26 lone 1 60 - 2 - HG3 ARG 26 - HB3 GLU 87 lone 1 46 - 3 - HB3 LYS 73 - HB3 ARG 26 lone 1 60 - 2 - HB ILE 33 - HB3 ARG 71 lone 1 38 - 3 - HB ILE 33 - HB3 ARG 27 lone 1 40 - 3 - HB ILE 33 - HB2 ARG 71 lone 1 36 - 3 - HB2 LEU 62 - HB3 ARG 27 lone 1 56 - 2 - HB3 LYS 32 - HB3 ARG 27 lone 1 33 - 4 - HB2 LYS 32 - HB3 ARG 27 lone 1 33 - 4 - HB2 LEU 62 - HB2 ARG 27 lone 1 54 - 2 - HB ILE 33 - HB2 ARG 27 lone 1 38 - 3 - HB2 LYS 32 - HB2 ARG 27 lone 1 32 - 3 - HB3 LYS 32 - HB2 ARG 27 lone 1 32 - 3 - HB3 ARG 82 - HB3 ARG 71 lone 1 42 - 3 - HB2 ARG 54 - HB2 ARG 66 lone 1 87 - 1 - HB3 ARG 82 - HB2 ARG 71 lone 1 40 - 2 - HB2 ARG 54 - HB3 ARG 71 lone 1 42 - 2 - HB3 LYS 73 - HB2 ARG 66 lone 1 59 - 2 - HB2 LEU 43 - HB3 ARG 27 lone 1 35 - 3 - HB2 ARG 54 - HB2 ARG 71 lone 1 40 - 2 - HB3 LYS 85 - HB2 ARG 26 lone 1 68 - 1 - HB2 LEU 43 - HB2 ARG 27 lone 1 33 - 3 - HB3 LYS 85 - HB3 ARG 26 lone 1 68 - 1 - HB2 LEU 57 - HB3 ARG 27 lone 1 43 - 2 - HB2 LEU 57 - HB3 ARG 71 lone 1 41 - 2 - HB2 LEU 43 - HB3 ARG 71 lone 1 33 - 3 - HB2 LEU 57 - HB2 ARG 27 lone 1 41 - 2 - HB2 LEU 57 - HB2 ARG 71 lone 1 39 - 2 - HB2 ARG 84 - HB2 ARG 66 lone 1 77 - 1 - HB2 LEU 43 - HB2 ARG 71 lone 1 31 - 3 - HB2 ARG 84 - HB3 ARG 27 lone 1 37 - 2 - HB2 ARG 84 - HB2 ARG 27 lone 1 36 - 2 - HB3 LYS 85 - HB2 ARG 66 lone 1 67 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 1 30 - 2 - HB3 LYS 85 - HB2 ARG 71 lone 1 28 - 2 - HB3 ARG 82 - HB3 ARG 27 lone 1 44 - 1 - HB3 ARG 82 - HB2 ARG 27 lone 1 42 - 1 - HB2 ARG 54 - HB3 ARG 27 lone 1 44 - 1 - HB2 ARG 54 - HB2 ARG 27 lone 0 42 - 1 - HB3 ARG 17 - HB3 GLU 87 lone 0 45 - 1 - HB2 LEU 62 - HB3 GLU 87 lone 0 46 - 1 - HG3 ARG 71 - HB3 GLU 87 lone 0 46 - 1 - HB3 LYS 85 - HB3 ARG 27 lone 0 32 - 1 - HB ILE 33 - HB3 GLU 87 lone 0 33 - 1 - HB3 LYS 85 - HB2 ARG 27 lone 0 30 - 1 - HB3 LYS 73 - HB3 ARG 27 lone 0 27 - 1 - HB3 LYS 73 - HB2 ARG 27 lone 0 26 - 1 - HB2 LEU 57 - HB3 GLU 87 lone 0 35 - 1 - HB3 ARG 82 - HB3 GLU 87 lone 0 36 - 1 - HB2 ARG 84 - HB3 GLU 87 lone 0 30 - 1 - HB3 LYS 85 - HB3 GLU 87 lone 0 25 - 1 - HB2 ARG 54 - HB3 GLU 87 lone 0 36 - 0 - HB2 LYS 32 - HB3 GLU 87 lone 0 27 - 1 - HB3 LYS 32 - HB3 GLU 87 lone 0 27 - 1 - HB2 LEU 43 - HB3 GLU 87 lone 0 28 - 0 - HB3 LYS 73 - HB3 GLU 87 lone 0 22 - 1 - Peak 1372 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 10 out of 112 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) * HD2 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD3 ARG 66 + HB2 ARG 66 OK 89 93 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD2 ARG 66 + HB2 ARG 66 OK 86 91 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD3 ARG 27 + HB3 ARG 27 OK 51 55 - 93 - 3.5=85, 1420/3.0=3...(30) HD2 ARG 27 + HB3 ARG 27 OK 51 55 - 93 - 3.5=85, 1420/3.0=3...(30) HD2 ARG 27 + HB2 ARG 27 OK 49 53 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 27 + HB2 ARG 27 OK 49 53 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 66 - HB2 ARG 26 OK 36 95 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 36 94 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB2 ARG 26 OK 35 92 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 66 - HB3 ARG 26 OK 35 92 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 26 - HB2 ARG 66 OK 30 100 - 30 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 26 - HB2 ARG 66 OK 29 100 - 29 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 71 - HB3 ARG 71 OK 27 30 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 71 - HB2 ARG 71 OK 26 28 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD2 ARG 26 - HB3 ARG 71 OK 24 54 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB3 ARG 71 OK 24 54 - 45 - 3.0/1392=2, ~1391=2...(8) HD3 ARG 27 - HB3 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 27 - HB2 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 26 - HB2 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(8) HD3 ARG 71 - HB3 ARG 26 OK 22 68 - 33 - ~2929=2, 1397/3.0=2...(9) HD3 ARG 71 - HB2 ARG 26 OK 22 68 - 33 - ~2929=2, 1397/3.0=2...(9) HD2 ARG 26 - HB3 ARG 27 OK 19 56 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD3 ARG 26 - HB3 ARG 27 OK 18 56 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD2 ARG 26 - HB2 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 1420/3.0=2...(5) HD3 ARG 26 - HB2 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 1421/3.0=2...(5) HD3 ARG 23 - HB3 ARG 27 OK 15 53 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB3 ARG 27 OK 15 53 - 28 - ~1285=2, ~1287=1...(8) HD3 ARG 66 - HB3 ARG 71 OK 15 47 - 32 - 3.0/2708=2, ~5167=2...(9) HD3 ARG 17 - HB3 ARG 26 OK 14 93 - 15 - HD2 ARG 17 - HB3 ARG 26 OK 14 93 - 15 - HD3 ARG 17 - HB2 ARG 26 OK 14 93 - 15 - HD2 ARG 17 - HB2 ARG 26 OK 14 93 - 15 - HD2 ARG 23 - HB2 ARG 27 OK 14 51 - 28 - ~1285=2, ~1287=1...(8) HD3 ARG 23 - HB2 ARG 27 OK 14 51 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 14 44 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 66 - HB2 ARG 71 OK 14 44 - 32 - 3.0/2708=2, ~5167=2...(9) HD2 ARG 66 - HB2 ARG 71 OK 13 42 - 32 - 3.0/2708=2, ~5167=2...(10) HD2 ARG 17 - HB3 ARG 71 OK 11 45 - 24 - ~2934=2 HD3 ARG 17 - HB3 ARG 71 OK 11 45 - 24 - ~2934=2 HD3 ARG 17 - HB2 ARG 71 OK 10 43 - 24 - ~2934=2 HD2 ARG 17 - HB2 ARG 71 OK 10 43 - 24 - ~2934=2 HD2 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD3 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD3 ARG 27 - HB3 ARG 71 poor 9 52 - 16 - HD2 ARG 27 - HB3 ARG 71 poor 9 52 - 16 - HD3 ARG 23 - HB2 ARG 66 lone 8 97 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 8 97 - 8 - HD3 ARG 27 - HB2 ARG 71 poor 8 50 - 16 - HD2 ARG 27 - HB2 ARG 71 poor 8 50 - 16 - HD3 ARG 23 - HB3 ARG 26 lone 8 98 - 8 - HD2 ARG 23 - HB3 ARG 26 lone 8 98 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 8 98 - 8 - HD2 ARG 23 - HB2 ARG 26 lone 8 98 - 8 - HD3 ARG 71 - HB2 ARG 66 poor 7 67 - 11 - HD2 ARG 23 - HB3 ARG 71 poor 7 50 - 14 - HD3 ARG 23 - HB3 ARG 71 poor 7 50 - 14 - HD3 ARG 23 - HB2 ARG 71 poor 7 48 - 14 - HD2 ARG 23 - HB2 ARG 71 poor 7 48 - 14 - HD2 ARG 17 - HB3 ARG 27 poor 6 48 - 13 - HD3 ARG 17 - HB3 ARG 27 poor 6 48 - 13 - HD2 ARG 17 - HB2 ARG 27 poor 6 46 - 13 - HD3 ARG 17 - HB2 ARG 27 poor 6 46 - 13 - HD3 ARG 66 - HB3 ARG 27 poor 5 49 - 11 - HD2 ARG 66 - HB3 ARG 27 poor 5 47 - 11 - HD3 ARG 66 - HB2 ARG 27 poor 5 47 - 11 - HD2 ARG 66 - HB2 ARG 27 poor 5 45 - 11 - HD3 ARG 71 - HB3 ARG 27 poor 5 32 - 15 - 3.0/2931=1 HD3 ARG 71 - HB2 ARG 27 poor 5 30 - 15 - 3.0/2931=1 HD2 ARG 17 - HB2 ARG 66 lone 4 92 - 5 - HD3 ARG 17 - HB2 ARG 66 lone 4 92 - 5 - HD3 ARG 84 - HB3 ARG 26 lone 4 71 - 5 - HD3 ARG 84 - HB2 ARG 26 lone 4 71 - 5 - HD2 ARG 84 - HB3 ARG 26 lone 4 65 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 4 65 - 5 - HD3 ARG 84 - HB3 ARG 71 poor 3 31 - 10 - HD3 ARG 84 - HB2 ARG 71 poor 3 30 - 10 - HD2 ARG 84 - HB3 ARG 71 poor 3 28 - 10 - HD2 ARG 84 - HB2 ARG 71 poor 3 27 - 10 - HD3 ARG 26 - HB3 GLU 87 lone 1 46 - 2 - HD2 ARG 26 - HB3 GLU 87 lone 1 46 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 1 33 - 2 - HD3 ARG 84 - HB2 ARG 66 lone 1 69 - 1 - HD3 ARG 84 - HB2 ARG 27 lone 1 32 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 1 30 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 64 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 68 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 68 - 1 - HD2 ARG 84 - HB2 ARG 27 lone 1 29 - 2 - HD2 ARG 82 - HB2 ARG 66 lone 1 67 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 0 30 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 0 32 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 0 28 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 0 30 - 1 - HD3 ARG 66 - HB3 GLU 87 lone 0 40 - 1 - HD3 ARG 27 - HB3 GLU 87 lone 0 45 - 1 - HD2 ARG 27 - HB3 GLU 87 lone 0 45 - 1 - HD2 ARG 66 - HB3 GLU 87 lone 0 38 - 1 - HD3 ARG 17 - HB3 GLU 87 lone 0 39 - 1 - HD2 ARG 17 - HB3 GLU 87 lone 0 39 - 1 - HD2 ARG 23 - HB3 GLU 87 lone 0 43 - 1 - HD3 ARG 23 - HB3 GLU 87 lone 0 43 - 1 - HD3 ARG 71 - HB3 GLU 87 lone 0 25 - 1 - HD3 ARG 84 - HB3 GLU 87 lone 0 27 - 1 - HD2 ARG 84 - HB3 GLU 87 lone 0 24 - 1 - HD2 ARG 82 - HB3 GLU 87 lone 0 25 - 0 - Peak 1373 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 10 out of 120 assignments used, quality = 1.00: HD3 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD2 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) * HD3 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD2 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 66 + HB2 ARG 66 OK 90 95 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD2 ARG 66 + HB2 ARG 66 OK 88 92 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD3 ARG 27 + HB3 ARG 27 OK 51 55 - 93 - 3.5=85, 1421/3.0=3...(30) HD2 ARG 27 + HB3 ARG 27 OK 51 55 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 27 + HB2 ARG 27 OK 49 52 - 93 - 3.5=85, 1420/3.0=3...(30) HD2 ARG 27 + HB2 ARG 27 OK 49 52 - 93 - 3.5=85, 1420/3.0=3...(30) HD3 ARG 66 - HB2 ARG 26 OK 37 96 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 37 96 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB2 ARG 26 OK 36 93 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 66 - HB3 ARG 26 OK 36 93 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 70 - HB2 ARG 66 OK 35 59 - 60 - ~2867=3, ~2866=3...(50) HD2 ARG 26 - HB2 ARG 66 OK 30 100 - 30 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 26 - HB2 ARG 66 OK 29 100 - 29 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 71 - HB3 ARG 71 OK 29 31 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 71 - HB2 ARG 71 OK 27 30 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD2 ARG 26 - HB3 ARG 71 OK 24 54 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB3 ARG 71 OK 24 54 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 71 - HB3 ARG 26 OK 23 71 - 33 - ~2929=2, 1397/3.0=2...(9) HD3 ARG 27 - HB3 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 27 - HB2 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 71 - HB2 ARG 26 OK 23 71 - 33 - ~2929=2, 1397/3.0=2...(9) HD2 ARG 26 - HB2 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD2 ARG 26 - HB3 ARG 27 OK 18 56 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD3 ARG 26 - HB3 ARG 27 OK 18 56 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD2 ARG 26 - HB2 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 1420/3.0=2...(5) HD3 ARG 26 - HB2 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 1420/3.0=2...(5) HD3 ARG 66 - HB3 ARG 71 OK 15 48 - 32 - 3.0/2708=2, ~5167=2...(10) HD2 ARG 23 - HB3 ARG 27 OK 15 52 - 28 - ~1285=2, ~1287=1...(8) HD3 ARG 23 - HB3 ARG 27 OK 15 52 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 15 45 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 66 - HB2 ARG 71 OK 14 45 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 17 - HB3 ARG 26 OK 14 92 - 15 - HD2 ARG 17 - HB3 ARG 26 OK 14 92 - 15 - HD2 ARG 17 - HB2 ARG 26 OK 14 92 - 15 - HD3 ARG 17 - HB2 ARG 26 OK 14 92 - 15 - HD3 ARG 23 - HB2 ARG 27 OK 14 50 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB2 ARG 27 OK 14 50 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 14 43 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 17 - HB3 ARG 71 OK 10 44 - 24 - ~2934=2 HD2 ARG 17 - HB3 ARG 71 OK 10 44 - 24 - ~2934=2 HD3 ARG 17 - HB2 ARG 71 poor 10 42 - 24 - ~2934=2 HD2 ARG 17 - HB2 ARG 71 poor 10 42 - 24 - ~2934=2 HD2 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD3 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD2 ARG 27 - HB3 ARG 71 poor 9 52 - 16 - HD3 ARG 27 - HB3 ARG 71 poor 9 52 - 16 - HD3 ARG 23 - HB2 ARG 66 lone 8 96 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 8 96 - 8 - HD3 ARG 27 - HB2 ARG 71 poor 8 50 - 16 - HD2 ARG 27 - HB2 ARG 71 poor 8 50 - 16 - HD3 ARG 23 - HB3 ARG 26 lone 8 97 - 8 - HD2 ARG 23 - HB3 ARG 26 lone 8 97 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 8 97 - 8 - HD2 ARG 23 - HB2 ARG 26 lone 8 97 - 8 - HD3 ARG 71 - HB2 ARG 66 poor 8 69 - 11 - HD2 ARG 23 - HB3 ARG 71 poor 7 49 - 14 - HD3 ARG 23 - HB3 ARG 71 poor 7 49 - 14 - HD3 ARG 23 - HB2 ARG 71 poor 7 47 - 14 - HD2 ARG 23 - HB2 ARG 71 poor 7 47 - 14 - HD3 ARG 70 - HB3 ARG 26 poor 6 60 - 10 - HD3 ARG 70 - HB2 ARG 26 poor 6 60 - 10 - HD2 ARG 17 - HB3 ARG 27 poor 6 47 - 13 - HD3 ARG 17 - HB3 ARG 27 poor 6 47 - 13 - HD3 ARG 70 - HB3 ARG 71 poor 6 26 - 23 - 5833/4.0=1, ~2935=1...(4) HD2 ARG 17 - HB2 ARG 27 poor 6 45 - 13 - HD3 ARG 17 - HB2 ARG 27 poor 6 45 - 13 - HD3 ARG 70 - HB2 ARG 71 poor 6 24 - 23 - 5833/4.0=1, ~2935=1...(4) HD3 ARG 66 - HB3 ARG 27 poor 5 50 - 11 - HD2 ARG 66 - HB3 ARG 27 poor 5 48 - 11 - HD3 ARG 66 - HB2 ARG 27 poor 5 48 - 11 - HD3 ARG 71 - HB3 ARG 27 poor 5 33 - 15 - 3.0/2931=1 HD2 ARG 66 - HB2 ARG 27 poor 5 46 - 11 - HD3 ARG 71 - HB2 ARG 27 poor 5 32 - 15 - 3.0/2931=1 HD2 ARG 17 - HB2 ARG 66 lone 4 91 - 5 - HD3 ARG 17 - HB2 ARG 66 lone 4 91 - 5 - HD3 ARG 84 - HB3 ARG 26 lone 4 68 - 5 - HD3 ARG 84 - HB2 ARG 26 lone 4 68 - 5 - HD2 ARG 84 - HB3 ARG 26 lone 4 63 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 4 63 - 5 - HD3 ARG 84 - HB3 ARG 71 poor 3 30 - 10 - HD3 ARG 84 - HB2 ARG 71 poor 3 28 - 10 - HD2 ARG 84 - HB3 ARG 71 poor 3 27 - 10 - HD2 ARG 84 - HB2 ARG 71 poor 3 26 - 10 - HD3 ARG 26 - HB3 GLU 87 lone 1 46 - 2 - HD2 ARG 26 - HB3 GLU 87 lone 1 46 - 2 - HD3 ARG 70 - HB3 ARG 27 lone 1 27 - 3 - HD3 ARG 70 - HB2 ARG 27 lone 1 26 - 3 - HD3 ARG 84 - HB3 ARG 27 lone 1 32 - 2 - HD3 ARG 84 - HB2 ARG 66 lone 1 67 - 1 - HD3 ARG 84 - HB2 ARG 27 lone 1 30 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 1 29 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 62 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 65 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 65 - 1 - HD2 ARG 84 - HB2 ARG 27 lone 1 27 - 2 - HD2 ARG 82 - HB2 ARG 66 lone 1 64 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 0 28 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 0 30 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 0 27 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 0 29 - 1 - HD3 ARG 66 - HB3 GLU 87 lone 0 41 - 1 - HD3 ARG 27 - HB3 GLU 87 lone 0 45 - 1 - HD2 ARG 27 - HB3 GLU 87 lone 0 45 - 1 - HD2 ARG 66 - HB3 GLU 87 lone 0 39 - 1 - HD2 ARG 17 - HB3 GLU 87 lone 0 38 - 1 - HD3 ARG 17 - HB3 GLU 87 lone 0 38 - 1 - HD3 ARG 23 - HB3 GLU 87 lone 0 42 - 1 - HD2 ARG 23 - HB3 GLU 87 lone 0 42 - 1 - HD3 ARG 71 - HB3 GLU 87 lone 0 27 - 1 - HD3 ARG 84 - HB3 GLU 87 lone 0 25 - 1 - HD3 ARG 70 - HB3 GLU 87 lone 0 22 - 1 - HD2 ARG 84 - HB3 GLU 87 lone 0 23 - 1 - HD2 ARG 82 - HB3 GLU 87 lone 0 24 - 0 - Peak 1374 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 2 out of 63 assignments used, quality = 0.98: * H ARG 26 + HB3 ARG 26 OK 86 100 - 86 - 3.9=72, 1390/3.0=14...(15) H ARG 26 + HB2 ARG 26 OK 86 100 - 86 - 3.9=72, 1390/3.0=14...(15) H THR 88 - HB3 GLU 87 OK 30 48 - 62 - 4.6=44, 402/3.0=25...(5) H ARG 71 - HB3 ARG 26 OK 24 71 - 34 - 1390/3.0=5, 775/3.0=4...(10) H ARG 71 - HB2 ARG 26 OK 24 71 - 34 - 1390/3.0=5, 775/3.0=4...(10) H ARG 71 - HB3 ARG 71 OK 24 30 - 81 - 4.0=68, 5397/4.4=8...(14) H ARG 71 - HB2 ARG 66 OK 24 69 - 34 - 306/1.8=5, 307/2.8=4...(17) H ARG 26 - HB3 ARG 27 OK 23 54 - 43 - 5380/4.1=13, 5345/3.0=10...(10) H ARG 71 - HB2 ARG 71 OK 23 28 - 80 - 4.0=68, 5397/4.4=8...(14) H ARG 26 - HB2 ARG 27 OK 22 52 - 43 - 5380/4.1=13, 5345/3.0=10...(10) H ARG 26 - HB3 ARG 71 OK 17 51 - 33 - 530/2.8=5, 526/3.0=3...(12) H ARG 26 - HB2 ARG 66 OK 16 99 - 16 - 527=2, ~5167=2, ~5165=1...(8) H ARG 26 - HB2 ARG 71 OK 16 49 - 33 - 530/2.8=5, 526/3.0=3...(10) H THR 88 - HB2 GLU 19 OK 13 59 - 22 - 5275/1.8=3, 3.6/3558=3...(9) H THR 88 - HB2 ARG 26 lone 8 100 - 8 - 5380/4.6=3, 1390/3.0=1 H THR 88 - HB3 ARG 26 lone 8 100 - 8 - 5380/4.6=3, 1390/3.0=1 H THR 88 - HB3 ARG 27 poor 6 54 - 10 - 873/3.0=4, 5380/4.1=3, ~3587=1 H THR 88 - HB2 ARG 27 poor 5 52 - 10 - 873/3.0=4, 5380/4.1=3, ~3587=1 H ARG 71 - HB3 ARG 27 poor 5 32 - 16 - 5380/4.1=3, 777/1.8=2...(4) H ARG 71 - HB2 ARG 27 poor 5 30 - 16 - 5380/4.1=3, 776/1.8=1...(4) H ARG 26 - HB2 GLU 19 lone 4 59 - 7 - 58/3.0=2, 58/3.0=2, 56/1.8=1 H ASN 74 - HB3 ARG 26 lone 3 81 - 4 - H ASN 74 - HB2 ARG 26 lone 3 81 - 4 - H ARG 26 - HB3 GLU 87 lone 2 48 - 5 - 4030/3.0=1, 5899/4.0=1 H LEU 57 - HB3 ARG 26 lone 2 83 - 2 - H LEU 57 - HB2 ARG 26 lone 2 83 - 2 - H LEU 57 - HB2 ARG 66 lone 2 81 - 2 - H ASN 74 - HB3 ARG 71 lone 2 35 - 5 - 322/4.4=2 H ASN 74 - HB2 ARG 71 lone 2 33 - 5 - 322/4.4=2 H LYS 85 - HB2 ARG 26 lone 2 68 - 2 - H LYS 85 - HB3 ARG 26 lone 2 68 - 2 - H THR 88 - HB2 ARG 66 lone 1 99 - 1 - H LYS 85 - HB3 ARG 71 lone 1 28 - 4 - 5397/4.4=1 H ALA 78 - HB3 ARG 26 lone 1 89 - 1 - H ALA 78 - HB2 ARG 26 lone 1 89 - 1 - H LYS 85 - HB2 ARG 71 lone 1 27 - 4 - 5397/4.4=1 H LYS 85 - HB3 GLU 87 lone 1 27 - 4 - 5899/4.0=2, 4030/3.0=1 H ASN 74 - HB3 ARG 27 lone 1 37 - 3 - H ASN 74 - HB2 ARG 27 lone 1 35 - 3 - H LYS 85 - HB2 ARG 66 lone 1 66 - 1 - H ALA 78 - HB2 ARG 66 lone 1 87 - 1 - H THR 88 - HB3 ARG 71 lone 1 51 - 2 - H ARG 71 - HB3 GLU 87 lone 1 28 - 3 - 5899/4.0=1 H ALA 78 - HB2 GLU 19 lone 1 47 - 2 - H THR 88 - HB2 ARG 71 lone 1 49 - 2 - H ASN 74 - HB2 ARG 66 lone 1 79 - 1 - H LEU 57 - HB3 ARG 27 lone 1 38 - 2 - H LEU 57 - HB2 ARG 27 lone 1 37 - 2 - H ALA 78 - HB3 ARG 27 lone 1 42 - 2 - H ALA 78 - HB2 ARG 27 lone 1 40 - 2 - H LYS 85 - HB3 ARG 27 lone 1 30 - 2 - H LEU 57 - HB3 GLU 87 lone 1 34 - 2 - H LYS 85 - HB2 ARG 27 lone 1 29 - 2 - H ALA 78 - HB3 GLU 87 lone 1 38 - 2 - H ARG 71 - HB2 GLU 19 lone 1 35 - 2 - H LYS 85 - HB2 GLU 19 lone 1 33 - 2 - H LEU 57 - HB3 ARG 71 lone 0 36 - 1 - H LEU 57 - HB2 GLU 19 lone 0 42 - 1 - H ASN 74 - HB3 GLU 87 lone 0 33 - 1 - H LEU 57 - HB2 ARG 71 lone 0 35 - 1 - H ASN 74 - HB2 GLU 19 lone 0 41 - 1 - H ALA 78 - HB3 ARG 71 lone 0 40 - 1 - H ALA 78 - HB2 ARG 71 lone 0 38 - 1 - Peak 1375 from cnoeabs.peaks (4.07, 1.88, 29.99 ppm; 3.35 A): 5 out of 54 assignments used, quality = 1.00: * HA ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HA ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HA ARG 71 + HB3 ARG 71 OK 49 49 - 100 - 3.0=100 HA ALA 63 + HB2 ARG 66 OK 47 98 - 48 - 4691/4.0=13, 4684/1.8=9...(11) HA ARG 71 + HB2 ARG 71 OK 47 47 - 100 - 3.0=100 HA ARG 71 - HB3 ARG 26 OK 40 99 - 41 - 1391/3.0=5, 61/4.6=2...(14) HA ARG 71 - HB2 ARG 26 OK 40 99 - 41 - 1391/3.0=5, 61/4.6=2...(14) HA ARG 71 - HB2 ARG 66 OK 37 98 - 38 - 5372/1.8=3, 5167/2.8=3...(15) HA GLU 25 - HB3 ARG 26 OK 27 83 - 33 - 3.6/527=6, 1391/3.0=3...(12) HA GLU 25 - HB2 ARG 26 OK 27 83 - 33 - 3.6/527=6, 1391/3.0=3...(12) HA ARG 26 - HB2 ARG 66 OK 27 99 - 27 - 5036/4.0=3, 5395/2.8=3...(10) HA ARG 26 - HB3 ARG 71 OK 20 51 - 39 - 2929/2.8=5, 775/4.0=4...(14) HA ARG 26 - HB2 ARG 71 OK 19 49 - 39 - 2929/2.8=5, 775/4.0=4...(14) HA ARG 26 - HB3 ARG 27 OK 16 54 - 30 - 3.6/62=4, ~5345=4...(13) HA ALA 63 - HB3 ARG 26 OK 16 99 - 16 - 5369=2, 5369/1.8=2...(5) HA ALA 63 - HB2 ARG 26 OK 16 99 - 16 - 5369=2, 5369/1.8=2...(5) HA ARG 26 - HB2 ARG 27 OK 15 52 - 30 - 3.6/62=4, ~5345=4...(13) HA VAL 90 - HB2 ARG 66 OK 12 98 - 12 - 5167/2.8=1, 5036/4.0=1 HA ARG 71 - HB3 ARG 27 poor 10 52 - 19 - 61/4.1=3, 1383/2.9=1, 1383/2.9=1 HA ARG 71 - HB2 ARG 27 poor 9 50 - 19 - 61/4.1=3, 1383/2.9=1, 1383/2.9=1 HA ALA 63 - HB3 ARG 71 poor 9 49 - 19 - 5369=2, 5369/1.8=2...(6) HA ALA 63 - HB2 ARG 71 poor 9 47 - 19 - 5369/1.8=2, 5369=2...(6) HA GLU 25 - HB3 ARG 27 poor 8 38 - 20 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB2 ARG 27 poor 7 37 - 20 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB3 ARG 71 poor 6 36 - 15 - 2929/2.8=2, 775/4.0=2...(6) HA VAL 90 - HB2 ARG 26 lone 5 99 - 5 - HA VAL 90 - HB3 ARG 26 lone 5 99 - 5 - HA GLU 25 - HB2 ARG 71 poor 5 35 - 15 - 2929/2.8=2, 775/4.0=2...(6) HA GLU 25 - HB2 ARG 66 lone 5 81 - 5 - 3.6/527=1 HA GLU 25 - HB2 GLU 19 lone 4 42 - 8 - HA ARG 26 - HB2 GLU 19 lone 3 59 - 5 - HA ALA 63 - HB3 ARG 27 lone 3 52 - 5 - HA ALA 63 - HB2 ARG 27 lone 3 50 - 5 - HA VAL 90 - HB2 GLU 19 lone 2 57 - 4 - 3.6/889=2 HA ARG 26 - HB3 GLU 87 lone 2 48 - 4 - HA VAL 90 - HB3 ARG 71 lone 1 49 - 3 - HA VAL 90 - HB2 ARG 71 lone 1 47 - 3 - HA VAL 90 - HB3 GLU 87 lone 1 46 - 3 - 3.6/889=1 HA GLU 59 - HB3 ARG 26 lone 1 73 - 2 - HA GLU 59 - HB2 ARG 26 lone 1 73 - 2 - HA GLU 59 - HB2 ARG 66 lone 1 72 - 1 - HA VAL 90 - HB3 ARG 27 lone 1 52 - 1 - HA GLU 25 - HB3 GLU 87 lone 1 34 - 2 - HA VAL 90 - HB2 ARG 27 lone 1 50 - 1 - HA ARG 71 - HB2 GLU 19 lone 1 57 - 1 - HA ALA 63 - HB2 GLU 19 lone 1 57 - 1 - HA ARG 71 - HB3 GLU 87 lone 1 46 - 1 - HA ALA 63 - HB3 GLU 87 lone 0 46 - 1 - HA GLU 59 - HB3 ARG 71 lone 0 31 - 1 - HA GLU 59 - HB2 ARG 71 lone 0 30 - 1 - HA GLU 59 - HB3 ARG 27 lone 0 33 - 1 - HA GLU 59 - HB2 ARG 27 lone 0 31 - 1 - HA GLU 59 - HB2 GLU 19 lone 0 36 - 0 - HA GLU 59 - HB3 GLU 87 lone 0 29 - 0 - Peak 1376 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 3 out of 8 assignments used, quality = 1.00: HB3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 HB2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 HB2 ARG 66 + HB2 ARG 66 OK 99 99 - 100 HB3 ARG 27 - HB3 ARG 27 OK 30 30 - 100 HB3 ARG 71 - HB3 ARG 71 OK 28 28 - 100 HB2 ARG 27 - HB2 ARG 27 OK 27 27 - 100 HB2 ARG 71 - HB2 ARG 71 OK 26 26 - 100 HB3 GLU 87 - HB3 GLU 87 OK 24 24 - 100 Reference assignment not found: HB2 ARG 26 - HB3 ARG 26 Peak 1377 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 3 out of 9 assignments used, quality = 1.00: * HB3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 HB2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 HB2 ARG 66 + HB2 ARG 66 OK 99 99 - 100 HB3 ARG 27 - HB3 ARG 27 OK 29 29 - 100 HB2 GLU 19 - HB2 GLU 19 OK 29 29 - 100 HB3 ARG 71 - HB3 ARG 71 OK 27 27 - 100 HB2 ARG 27 - HB2 ARG 27 OK 26 26 - 100 HB3 GLU 87 - HB3 GLU 87 OK 25 25 - 100 HB2 ARG 71 - HB2 ARG 71 OK 24 24 - 100 Peak 1378 from cnoeabs.peaks (1.62, 1.88, 29.99 ppm; 3.27 A): 11 out of 144 assignments used, quality = 1.00: * HG2 ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HG2 ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 70 + HB2 ARG 66 OK 54 97 - 56 - ~2867=4, ~2866=4...(26) HG2 ARG 71 + HB3 ARG 71 OK 51 51 - 100 - 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 50 50 - 100 - 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 49 49 - 100 - 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 49 49 - 100 - 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 48 48 - 100 - 2.9=100 HG3 ARG 27 + HB2 ARG 27 OK 47 47 - 100 - 2.9=100 HG2 ARG 71 + HB3 ARG 26 OK 45 100 - 46 - 1394/3.0=4, ~2929=3...(19) HG2 ARG 71 + HB2 ARG 26 OK 45 100 - 46 - 1394/3.0=4, ~2929=3...(19) HG2 ARG 27 - HB3 ARG 26 OK 30 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG2 ARG 27 - HB2 ARG 26 OK 30 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG3 ARG 27 - HB3 ARG 26 OK 30 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG3 ARG 27 - HB2 ARG 26 OK 29 97 - 31 - 537/4.6=3, 1394/3.0=2...(7) HG2 ARG 26 - HB2 ARG 66 OK 24 99 - 24 - 1.8/1393=2, 1385=1...(4) HG2 ARG 26 - HB3 ARG 71 OK 22 51 - 44 - 2932/2.8=3, 1.8/1392=3...(14) HG2 ARG 26 - HB2 ARG 71 OK 21 49 - 44 - 2932/2.8=3, 1.8/1392=3...(14) HG3 ARG 17 - HB3 ARG 26 OK 20 100 - 20 - 1394/3.0=2 HG2 ARG 17 - HB3 ARG 26 OK 20 100 - 20 - 1394/3.0=2 HG2 ARG 71 - HB2 ARG 66 OK 20 99 - 20 - 2927/3.4=1, ~2935=1, 2927/3.4=1 HG3 ARG 17 - HB2 ARG 26 OK 19 100 - 20 - 1394/3.0=2 HG2 ARG 17 - HB2 ARG 26 OK 19 100 - 20 - 1394/3.0=2 HG2 ARG 26 - HB3 ARG 27 OK 16 54 - 30 - 537/4.1=2, 1418/3.0=2...(7) HG3 ARG 17 - HB3 ARG 71 OK 16 51 - 31 - 2932/2.8=3, ~2932=1...(5) HG2 ARG 17 - HB3 ARG 71 OK 16 51 - 31 - 2932/2.8=3, ~2932=1...(5) HG2 ARG 26 - HB2 ARG 27 OK 15 52 - 30 - 537/4.1=2, 1418/3.0=2...(7) HG3 ARG 17 - HB2 ARG 71 OK 15 49 - 31 - 2932/2.8=3, ~2932=1...(4) HG2 ARG 17 - HB2 ARG 71 OK 15 49 - 31 - 2932/2.8=3, ~2932=1...(4) HG2 ARG 71 - HB3 ARG 27 OK 12 54 - 21 - 64/4.1=1, 1.8/2931=1...(6) HG2 ARG 71 - HB2 ARG 27 OK 11 52 - 21 - 64/4.1=1, 1.8/2931=1...(6) HG3 ARG 70 - HB2 ARG 26 OK 10 98 - 11 - HG3 ARG 70 - HB3 ARG 26 OK 10 98 - 11 - HG3 ARG 70 - HB3 ARG 71 OK 10 48 - 22 - 778/4.0=3, ~5395=2...(6) HG2 ARG 27 - HB3 ARG 71 OK 10 47 - 21 - 2932/2.8=2 HG3 ARG 27 - HB3 ARG 71 poor 10 46 - 21 - 2932/2.8=2 HG3 ARG 70 - HB2 ARG 71 poor 10 46 - 22 - 778/4.0=3, ~5395=2...(6) HG2 ARG 27 - HB2 ARG 71 poor 10 45 - 21 - 2932/2.8=2 HG2 ARG 27 - HB2 ARG 66 lone 10 96 - 10 - HG3 ARG 27 - HB2 ARG 66 lone 9 95 - 10 - HG3 ARG 27 - HB2 ARG 71 poor 9 44 - 21 - 2932/2.8=2 HD3 LYS 32 - HB3 ARG 71 poor 8 48 - 18 - 2932/2.8=1, 2921/3.0=1 HG3 ARG 17 - HB3 ARG 27 poor 8 54 - 15 - 1418/3.0=1, 64/4.1=1 HG2 ARG 17 - HB3 ARG 27 poor 8 54 - 15 - 1418/3.0=1, 64/4.1=1 HD3 LYS 32 - HB2 ARG 71 poor 8 46 - 18 - 2932/2.8=1, 2921/3.0=1 HD2 LYS 32 - HB3 ARG 71 poor 8 46 - 17 - 2932/2.8=1, 2921/3.0=1 HG3 ARG 17 - HB2 ARG 27 poor 8 52 - 15 - 1418/3.0=1, 64/4.1=1 HG2 ARG 17 - HB2 ARG 27 poor 8 51 - 15 - 1418/3.0=1, 64/4.1=1 HD2 LYS 32 - HB2 ARG 71 poor 8 44 - 17 - 2932/2.8=1, 2921/3.0=1 HD3 LYS 32 - HB3 ARG 26 lone 7 98 - 7 - HD3 LYS 32 - HB2 ARG 26 lone 7 98 - 7 - HD2 LYS 32 - HB3 ARG 26 lone 7 97 - 7 - HD2 LYS 32 - HB2 ARG 26 lone 7 97 - 7 - HB2 LEU 86 - HB3 ARG 26 lone 7 99 - 7 - HB2 LEU 86 - HB2 ARG 26 lone 7 99 - 7 - HD3 LYS 32 - HB2 ARG 66 lone 6 97 - 6 - HD3 LYS 73 - HB3 ARG 71 poor 6 46 - 12 - 5840/4.4=1, 2921/3.0=1 HD2 LYS 73 - HB3 ARG 71 poor 6 46 - 12 - 5840/4.4=1, 2921/3.0=1 HD2 LYS 32 - HB2 ARG 66 lone 5 95 - 6 - HB2 LEU 86 - HB3 GLU 87 poor 5 46 - 12 - 4.6/868=3, 3521/3.0=3...(4) HD2 LYS 73 - HB2 ARG 71 poor 5 44 - 12 - 5840/4.4=1, 2921/3.0=1 HD3 LYS 73 - HB2 ARG 71 poor 5 44 - 12 - 5840/4.4=1, 2921/3.0=1 HG3 ARG 17 - HB2 ARG 66 lone 5 99 - 5 - HG2 ARG 17 - HB2 ARG 66 lone 5 99 - 5 - HG LEU 86 - HB3 ARG 26 lone 5 76 - 6 - HG LEU 86 - HB2 ARG 26 lone 5 76 - 6 - HG3 ARG 84 - HB3 ARG 26 lone 4 63 - 7 - HG2 ARG 84 - HB3 ARG 26 lone 4 63 - 7 - HG2 ARG 84 - HB2 ARG 26 lone 4 63 - 7 - HG3 ARG 84 - HB2 ARG 26 lone 4 63 - 7 - HD2 LYS 73 - HB3 ARG 26 lone 3 97 - 4 - HD3 LYS 73 - HB3 ARG 26 lone 3 97 - 4 - HD2 LYS 73 - HB2 ARG 26 lone 3 97 - 4 - HD3 LYS 73 - HB2 ARG 26 lone 3 97 - 4 - HG2 ARG 84 - HB3 ARG 71 poor 3 26 - 12 - HG3 ARG 84 - HB3 ARG 71 poor 3 26 - 12 - HB2 LEU 86 - HB3 ARG 71 lone 3 49 - 6 - HG2 ARG 84 - HB2 ARG 71 poor 3 24 - 12 - HG3 ARG 84 - HB2 ARG 71 poor 3 24 - 12 - HB2 LEU 86 - HB2 ARG 71 lone 3 47 - 6 - HD3 LYS 32 - HB3 ARG 27 lone 3 51 - 5 - 72/4.3=1 HB2 LEU 86 - HB2 ARG 66 lone 2 98 - 2 - HG LEU 86 - HB3 GLU 87 lone 2 30 - 8 - 396/4.0=2, ~3521=1...(4) HD3 LYS 32 - HB2 ARG 27 lone 2 48 - 5 - 72/4.3=1 HD2 LYS 73 - HB2 ARG 66 lone 2 95 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 2 95 - 2 - HD2 LYS 32 - HB3 ARG 27 lone 2 49 - 5 - HD2 LYS 32 - HB2 ARG 27 lone 2 47 - 5 - HG LEU 86 - HB2 ARG 66 lone 2 74 - 3 - HB2 LEU 86 - HB2 GLU 19 lone 2 57 - 3 - 4.6/868=2 HG3 ARG 70 - HB3 ARG 27 lone 2 51 - 4 - HG LEU 86 - HB3 ARG 71 lone 2 32 - 5 - HG3 ARG 70 - HB2 ARG 27 lone 2 48 - 4 - HG LEU 86 - HB2 ARG 71 lone 2 31 - 5 - HG3 ARG 17 - HB2 GLU 19 lone 2 59 - 3 - HG2 ARG 17 - HB2 GLU 19 lone 2 59 - 3 - HB3 LEU 51 - HB3 ARG 26 lone 2 78 - 2 - HB3 LEU 51 - HB2 ARG 26 lone 2 78 - 2 - HG2 ARG 26 - HB2 GLU 19 lone 2 59 - 3 - HB2 LEU 86 - HB3 ARG 27 lone 2 52 - 3 - HB2 LEU 86 - HB2 ARG 27 lone 1 50 - 3 - HG2 ARG 26 - HB3 GLU 87 lone 1 48 - 3 - HB3 LEU 51 - HB2 ARG 66 lone 1 76 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 49 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 49 - 2 - HG3 ARG 84 - HB2 ARG 66 lone 1 61 - 2 - HG2 ARG 84 - HB2 ARG 66 lone 1 61 - 2 - HD2 LYS 73 - HB2 ARG 27 lone 1 47 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 1 47 - 2 - HG LEU 86 - HB3 ARG 27 lone 1 34 - 3 - HG LEU 86 - HB2 ARG 27 lone 1 33 - 3 - HB3 LEU 51 - HB3 ARG 71 lone 1 34 - 2 - HB3 LEU 51 - HB2 ARG 71 lone 1 32 - 2 - HG3 ARG 17 - HB3 GLU 87 lone 1 48 - 1 - HG2 ARG 17 - HB3 GLU 87 lone 1 48 - 1 - HG3 ARG 84 - HB3 ARG 27 lone 1 27 - 2 - HG2 ARG 84 - HB3 ARG 27 lone 1 27 - 2 - HG2 ARG 27 - HB2 GLU 19 lone 1 55 - 1 - HG3 ARG 27 - HB2 GLU 19 lone 1 54 - 1 - HG3 ARG 84 - HB2 ARG 27 lone 1 26 - 2 - HG2 ARG 84 - HB2 ARG 27 lone 1 26 - 2 - HG2 ARG 27 - HB3 GLU 87 lone 1 44 - 1 - HG2 ARG 71 - HB2 GLU 19 lone 1 59 - 1 - HG3 ARG 70 - HB3 GLU 87 lone 1 45 - 1 - HG3 ARG 27 - HB3 GLU 87 lone 1 44 - 1 - HB3 LEU 51 - HB3 GLU 87 lone 1 32 - 2 - HG2 ARG 71 - HB3 GLU 87 lone 1 48 - 1 - HB3 LEU 51 - HB3 ARG 27 lone 0 36 - 1 - HD3 LYS 73 - HB2 GLU 19 lone 0 54 - 1 - HD2 LYS 73 - HB2 GLU 19 lone 0 54 - 1 - HB3 LEU 51 - HB2 ARG 27 lone 0 34 - 1 - HB3 LEU 51 - HB2 GLU 19 lone 0 39 - 1 - HG LEU 86 - HB2 GLU 19 lone 0 38 - 1 - HG3 ARG 70 - HB2 GLU 19 lone 0 55 - 1 - HD3 LYS 32 - HB2 GLU 19 lone 0 55 - 1 - HD3 LYS 73 - HB3 GLU 87 lone 0 44 - 1 - HD2 LYS 73 - HB3 GLU 87 lone 0 44 - 1 - HD2 LYS 32 - HB2 GLU 19 lone 0 54 - 1 - HD3 LYS 32 - HB3 GLU 87 lone 0 45 - 1 - HD2 LYS 32 - HB3 GLU 87 lone 0 44 - 1 - HG2 ARG 84 - HB2 GLU 19 lone 0 30 - 1 - HG3 ARG 84 - HB2 GLU 19 lone 0 30 - 1 - HG3 ARG 84 - HB3 GLU 87 lone 0 24 - 1 - HG2 ARG 84 - HB3 GLU 87 lone 0 24 - 1 - Peak 1379 from cnoeabs.peaks (1.75, 1.88, 29.99 ppm; 3.16 A): 4 out of 135 assignments used, quality = 1.00: * HG3 ARG 26 + HB3 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 26 + HB2 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 51 51 - 100 - 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 49 49 - 100 - 2.8=100 HG3 ARG 71 - HB3 ARG 26 OK 45 100 - 45 - 2929/3.0=5, 2928/3.9=3...(11) HG3 ARG 71 - HB2 ARG 26 OK 45 100 - 45 - 2929/3.0=5, 2928/3.9=3...(11) HG3 ARG 26 - HB2 ARG 66 OK 24 99 - 24 - 1393=3, 1396/3.4=1, 1397/3.4=1 HG3 ARG 26 - HB3 ARG 71 OK 23 51 - 46 - 1391/3.0=4, 1394/2.8=4...(10) HG3 ARG 26 - HB2 ARG 71 OK 22 49 - 46 - 1391/3.0=4, 1394/2.8=4...(9) HG3 ARG 71 - HB2 ARG 66 OK 19 99 - 19 - 2935/3.4=2, 2935/3.4=2, 2931=1 HG2 PRO 34 - HB3 ARG 26 OK 19 97 - 19 - 1723=3, 1723/1.8=2...(7) HG2 PRO 34 - HB2 ARG 26 OK 19 97 - 19 - 1723=3, 1723/1.8=2...(7) HG3 ARG 26 - HB3 ARG 27 OK 18 54 - 34 - 65/4.1=3, 1392=3...(12) HG3 ARG 26 - HB2 ARG 27 OK 17 52 - 34 - 65/4.1=3, 1392=3...(12) HB3 ARG 17 - HB2 ARG 26 OK 15 100 - 15 - 65/4.6=1 HB3 ARG 17 - HB3 ARG 26 OK 15 100 - 15 - 65/4.6=1 HB2 LEU 62 - HB3 ARG 26 OK 13 100 - 14 - 4678/3.0=2, 530/3.9=1 HB2 LEU 62 - HB2 ARG 26 OK 13 100 - 14 - 4678/3.0=2, 530/3.9=1 HG3 ARG 71 - HB3 ARG 27 OK 12 54 - 23 - 65/4.1=2, 2930/1.8=2...(5) HG3 ARG 71 - HB2 ARG 27 OK 12 51 - 23 - 65/4.1=2, 2930/1.8=2...(5) HG2 PRO 34 - HB3 ARG 71 OK 11 46 - 25 - 1723=3, 1723/1.8=2...(9) HB3 ARG 17 - HB3 ARG 71 OK 11 50 - 23 - ~1148=2, 1167/2.8=1...(7) HG2 PRO 34 - HB2 ARG 71 OK 11 44 - 25 - 1723=3, 1723/1.8=2...(9) HB3 ARG 17 - HB2 ARG 71 OK 11 48 - 22 - ~1148=2, 1167/2.8=1...(7) HB3 ARG 17 - HB3 ARG 27 poor 6 53 - 12 - 65/4.1=1 HB3 ARG 17 - HB2 ARG 27 poor 6 51 - 12 - 65/4.1=1 HB3 LYS 32 - HB2 ARG 66 lone 5 69 - 7 - HB2 LYS 32 - HB2 ARG 66 lone 5 69 - 7 - HG2 PRO 34 - HB3 ARG 27 poor 5 49 - 10 - 1723=1 HB2 LEU 62 - HB3 ARG 71 lone 5 51 - 9 - 779/4.0=1, 3907/4.4=1 HG2 PRO 34 - HB2 ARG 27 poor 5 47 - 10 - 1723=1, 1723/1.8=1 HB ILE 33 - HB2 ARG 66 lone 5 81 - 6 - 1651/4.6=1 HB2 LEU 62 - HB2 ARG 71 lone 5 49 - 9 - 779/4.0=1, 3907/4.4=1 HB3 LYS 32 - HB3 ARG 26 lone 4 71 - 6 - HB2 LYS 32 - HB3 ARG 26 lone 4 71 - 6 - HB2 LYS 32 - HB2 ARG 26 lone 4 71 - 6 - HB3 LYS 32 - HB2 ARG 26 lone 4 71 - 6 - HG2 PRO 34 - HB2 ARG 66 lone 4 95 - 4 - HB2 ARG 84 - HB3 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HB2 ARG 26 lone 4 78 - 5 - HB2 LYS 32 - HB3 ARG 71 poor 4 30 - 13 - HB3 LYS 32 - HB3 ARG 71 poor 4 30 - 13 - HB2 LEU 62 - HB2 ARG 66 lone 4 99 - 4 - HB2 LYS 32 - HB2 ARG 71 poor 4 28 - 12 - HB3 LYS 32 - HB2 ARG 71 poor 4 28 - 12 - HB2 LEU 43 - HB2 ARG 66 lone 3 72 - 5 - HB ILE 33 - HB3 ARG 26 lone 3 83 - 4 - HB ILE 33 - HB2 ARG 26 lone 3 83 - 4 - HB2 LEU 57 - HB2 ARG 66 lone 3 85 - 4 - HB2 LEU 43 - HB3 ARG 26 lone 3 73 - 4 - HB2 LEU 43 - HB2 ARG 26 lone 3 73 - 4 - HG2 PRO 34 - HB3 GLU 87 lone 3 44 - 6 - 1721/3.0=1, ~1728=1 HB2 LEU 57 - HB3 ARG 26 lone 3 87 - 3 - HB2 LEU 57 - HB2 ARG 26 lone 3 87 - 3 - HB3 ARG 17 - HB2 ARG 66 lone 2 99 - 2 - HB2 ARG 84 - HB3 ARG 71 lone 2 34 - 6 - HB2 ARG 84 - HB2 ARG 71 lone 2 32 - 6 - HB3 LYS 73 - HB3 ARG 71 lone 2 24 - 7 - 5841/4.4=1 HB3 ARG 17 - HB2 GLU 19 lone 2 58 - 3 - HB3 LYS 73 - HB2 ARG 71 lone 2 23 - 7 - 5841/4.4=1 HG3 ARG 26 - HB2 GLU 19 lone 2 59 - 3 - HB3 ARG 82 - HB2 ARG 66 lone 2 87 - 2 - HB3 ARG 82 - HB3 ARG 26 lone 1 89 - 1 - HB3 ARG 82 - HB2 ARG 26 lone 1 89 - 1 - HB2 ARG 54 - HB2 ARG 26 lone 1 89 - 2 - HB2 ARG 54 - HB3 ARG 26 lone 1 89 - 2 - HG3 ARG 26 - HB3 GLU 87 lone 1 48 - 3 - HB3 LYS 73 - HB2 ARG 26 lone 1 60 - 2 - HB3 LYS 73 - HB3 ARG 26 lone 1 60 - 2 - HB ILE 33 - HB3 ARG 71 lone 1 36 - 3 - HB ILE 33 - HB3 ARG 27 lone 1 38 - 3 - HB ILE 33 - HB2 ARG 71 lone 1 35 - 3 - HB2 LEU 62 - HB3 ARG 27 lone 1 54 - 2 - HB2 LYS 32 - HB3 ARG 27 lone 1 32 - 3 - HB3 LYS 32 - HB3 ARG 27 lone 1 32 - 3 - HB2 LEU 62 - HB2 ARG 27 lone 1 52 - 2 - HB2 ARG 54 - HB2 ARG 66 lone 1 87 - 1 - HB ILE 33 - HB2 ARG 27 lone 1 37 - 3 - HB2 LYS 32 - HB2 ARG 27 lone 1 30 - 3 - HB3 LYS 32 - HB2 ARG 27 lone 1 30 - 3 - HB3 ARG 82 - HB3 ARG 71 lone 1 40 - 2 - HB3 LYS 73 - HB2 ARG 66 lone 1 58 - 2 - HB3 ARG 82 - HB2 ARG 71 lone 1 38 - 2 - HB2 ARG 54 - HB3 ARG 71 lone 1 40 - 2 - HB3 LYS 85 - HB2 ARG 26 lone 1 68 - 1 - HB2 LEU 43 - HB3 ARG 27 lone 1 33 - 3 - HB3 LYS 85 - HB3 ARG 26 lone 1 68 - 1 - HB2 ARG 54 - HB2 ARG 71 lone 1 38 - 2 - HB2 LEU 43 - HB2 ARG 27 lone 1 31 - 3 - HB2 LEU 57 - HB3 ARG 27 lone 1 41 - 2 - HB2 LEU 57 - HB3 ARG 71 lone 1 39 - 2 - HB2 LEU 43 - HB3 ARG 71 lone 1 31 - 3 - HB2 ARG 84 - HB2 ARG 66 lone 1 76 - 1 - HB2 LEU 57 - HB2 ARG 27 lone 1 39 - 2 - HB2 LEU 57 - HB2 ARG 71 lone 1 37 - 2 - HB2 LEU 43 - HB2 ARG 71 lone 1 30 - 3 - HB2 ARG 84 - HB3 ARG 27 lone 1 36 - 2 - HB2 ARG 84 - HB2 ARG 27 lone 1 34 - 2 - HB3 LYS 85 - HB2 ARG 66 lone 1 66 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 1 28 - 2 - HB3 ARG 82 - HB3 ARG 27 lone 1 42 - 1 - HB3 LYS 85 - HB2 ARG 71 lone 1 27 - 2 - HG3 ARG 71 - HB2 GLU 19 lone 1 59 - 1 - HB3 ARG 82 - HB2 ARG 27 lone 1 40 - 1 - HB3 LYS 85 - HB2 GLU 19 lone 1 33 - 2 - HB2 ARG 54 - HB3 ARG 27 lone 0 42 - 1 - HB2 LEU 62 - HB2 GLU 19 lone 0 59 - 1 - HB2 ARG 54 - HB2 ARG 27 lone 0 40 - 1 - HB3 ARG 17 - HB3 GLU 87 lone 0 47 - 1 - HB2 LEU 62 - HB3 GLU 87 lone 0 48 - 1 - HG3 ARG 71 - HB3 GLU 87 lone 0 48 - 1 - HB3 ARG 82 - HB2 GLU 19 lone 0 47 - 1 - HB ILE 33 - HB3 GLU 87 lone 0 34 - 1 - HG2 PRO 34 - HB2 GLU 19 lone 0 54 - 1 - HB3 LYS 85 - HB3 ARG 27 lone 0 30 - 1 - HB3 LYS 85 - HB2 ARG 27 lone 0 29 - 1 - HB3 LYS 73 - HB3 ARG 27 lone 0 26 - 1 - HB3 LYS 73 - HB2 ARG 27 lone 0 25 - 1 - HB2 ARG 84 - HB2 GLU 19 lone 0 39 - 1 - HB2 LEU 43 - HB2 GLU 19 lone 0 36 - 1 - HB ILE 33 - HB2 GLU 19 lone 0 42 - 1 - HB2 LEU 57 - HB3 GLU 87 lone 0 37 - 1 - HB2 LEU 57 - HB2 GLU 19 lone 0 45 - 1 - HB2 ARG 54 - HB2 GLU 19 lone 0 47 - 0 - HB3 LYS 73 - HB2 GLU 19 lone 0 29 - 1 - HB3 ARG 82 - HB3 GLU 87 lone 0 38 - 1 - HB2 ARG 84 - HB3 GLU 87 lone 0 32 - 1 - HB3 LYS 85 - HB3 GLU 87 lone 0 27 - 1 - HB3 LYS 32 - HB2 GLU 19 lone 0 35 - 1 - HB2 LYS 32 - HB2 GLU 19 lone 0 35 - 1 - HB2 ARG 54 - HB3 GLU 87 lone 0 38 - 0 - HB2 LYS 32 - HB3 GLU 87 lone 0 28 - 1 - HB3 LYS 32 - HB3 GLU 87 lone 0 28 - 1 - HB2 LEU 43 - HB3 GLU 87 lone 0 29 - 0 - HB3 LYS 73 - HB3 GLU 87 lone 0 23 - 1 - Peak 1380 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 10 out of 126 assignments used, quality = 1.00: * HD2 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD2 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD3 ARG 66 + HB2 ARG 66 OK 88 93 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD2 ARG 66 + HB2 ARG 66 OK 86 90 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD3 ARG 27 + HB3 ARG 27 OK 49 53 - 93 - 3.5=85, 1421/3.0=3...(30) HD2 ARG 27 + HB3 ARG 27 OK 49 53 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 27 + HB2 ARG 27 OK 47 51 - 93 - 3.5=85, 1421/3.0=3...(30) HD2 ARG 27 + HB2 ARG 27 OK 47 51 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 66 - HB2 ARG 26 OK 36 94 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 36 95 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB2 ARG 26 OK 35 92 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 66 - HB3 ARG 26 OK 35 92 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 26 - HB2 ARG 66 OK 30 99 - 30 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 26 - HB2 ARG 66 OK 29 99 - 29 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 71 - HB3 ARG 71 OK 26 28 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 71 - HB2 ARG 71 OK 25 27 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 27 - HB3 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 27 - HB2 ARG 26 OK 23 100 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 26 - HB3 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB3 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(8) HD3 ARG 71 - HB3 ARG 26 OK 22 68 - 33 - ~2929=2, 1397/3.0=2...(9) HD3 ARG 71 - HB2 ARG 26 OK 22 68 - 33 - ~2929=2, 1397/3.0=2...(9) HD2 ARG 26 - HB2 ARG 71 OK 22 49 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 22 49 - 44 - 3.0/1392=2, ~1391=2...(8) HD2 ARG 26 - HB3 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD3 ARG 26 - HB3 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD2 ARG 26 - HB2 ARG 27 OK 17 52 - 33 - 5382/4.1=2, 1421/3.0=2...(5) HD3 ARG 26 - HB2 ARG 27 OK 17 52 - 33 - 5382/4.1=2, 1420/3.0=2...(5) HD3 ARG 17 - HB3 ARG 26 OK 14 93 - 15 - HD2 ARG 17 - HB3 ARG 26 OK 14 93 - 15 - HD2 ARG 17 - HB2 ARG 26 OK 14 93 - 15 - HD3 ARG 17 - HB2 ARG 26 OK 14 93 - 15 - HD3 ARG 66 - HB3 ARG 71 OK 14 44 - 32 - 3.0/2708=2, ~5167=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 14 51 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB3 ARG 27 OK 14 51 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 13 42 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 23 - HB2 ARG 27 OK 13 48 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB2 ARG 27 OK 13 48 - 28 - ~1285=2, ~1287=1...(8) HD3 ARG 66 - HB2 ARG 71 OK 13 42 - 32 - 3.0/2708=2, ~5167=2...(9) HD2 ARG 66 - HB2 ARG 71 OK 13 40 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 17 - HB3 ARG 71 OK 10 43 - 23 - ~2934=2 HD2 ARG 17 - HB3 ARG 71 OK 10 43 - 23 - ~2934=2 HD3 ARG 17 - HB2 ARG 71 poor 10 41 - 23 - ~2934=2 HD2 ARG 17 - HB2 ARG 71 poor 10 41 - 23 - ~2934=2 HD2 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD3 ARG 27 - HB2 ARG 66 lone 9 99 - 9 - HD3 ARG 23 - HB2 ARG 66 lone 8 97 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 8 97 - 8 - HD3 ARG 27 - HB3 ARG 71 poor 8 50 - 16 - HD2 ARG 27 - HB3 ARG 71 poor 8 50 - 16 - HD2 ARG 23 - HB3 ARG 26 lone 8 98 - 8 - HD3 ARG 23 - HB3 ARG 26 lone 8 98 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 8 98 - 8 - HD2 ARG 23 - HB2 ARG 26 lone 8 98 - 8 - HD2 ARG 27 - HB2 ARG 71 poor 8 48 - 16 - HD3 ARG 27 - HB2 ARG 71 poor 8 48 - 16 - HD3 ARG 71 - HB2 ARG 66 poor 7 66 - 11 - HD3 ARG 23 - HB3 ARG 71 poor 7 48 - 14 - HD2 ARG 23 - HB3 ARG 71 poor 7 48 - 14 - HD3 ARG 23 - HB2 ARG 71 poor 6 46 - 14 - HD2 ARG 23 - HB2 ARG 71 poor 6 46 - 14 - HD2 ARG 17 - HB3 ARG 27 poor 6 46 - 13 - HD3 ARG 17 - HB3 ARG 27 poor 6 46 - 13 - HD3 ARG 17 - HB2 ARG 27 poor 6 44 - 13 - HD2 ARG 17 - HB2 ARG 27 poor 6 44 - 13 - HD3 ARG 66 - HB3 ARG 27 poor 5 47 - 11 - HD2 ARG 66 - HB3 ARG 27 poor 5 45 - 11 - HD3 ARG 66 - HB2 ARG 27 poor 5 45 - 11 - HD2 ARG 66 - HB2 ARG 27 poor 5 43 - 11 - HD3 ARG 71 - HB3 ARG 27 poor 5 30 - 15 - HD3 ARG 17 - HB2 ARG 66 lone 4 92 - 5 - HD2 ARG 17 - HB2 ARG 66 lone 4 92 - 5 - HD3 ARG 71 - HB2 ARG 27 poor 4 29 - 15 - HD3 ARG 84 - HB3 ARG 26 lone 4 71 - 5 - HD3 ARG 84 - HB2 ARG 26 lone 4 71 - 5 - HD2 ARG 84 - HB3 ARG 26 lone 4 65 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 4 65 - 5 - HD3 ARG 84 - HB3 ARG 71 poor 3 30 - 10 - HD3 ARG 84 - HB2 ARG 71 poor 3 28 - 10 - HD2 ARG 84 - HB3 ARG 71 poor 3 27 - 10 - HD2 ARG 84 - HB2 ARG 71 poor 3 26 - 10 - HD3 ARG 26 - HB2 GLU 19 lone 1 59 - 2 - HD2 ARG 26 - HB2 GLU 19 lone 1 59 - 2 - HD3 ARG 26 - HB3 GLU 87 lone 1 48 - 2 - HD2 ARG 26 - HB3 GLU 87 lone 1 48 - 2 - HD2 ARG 17 - HB2 GLU 19 lone 1 50 - 2 - HD3 ARG 17 - HB2 GLU 19 lone 1 50 - 2 - HD3 ARG 84 - HB2 ARG 66 lone 1 69 - 1 - HD3 ARG 84 - HB3 ARG 27 lone 1 32 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 1 30 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 64 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 68 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 68 - 1 - HD2 ARG 84 - HB3 ARG 27 lone 1 29 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 1 27 - 2 - HD2 ARG 82 - HB2 ARG 66 lone 1 66 - 1 - HD2 ARG 27 - HB2 GLU 19 lone 1 58 - 1 - HD3 ARG 27 - HB2 GLU 19 lone 1 58 - 1 - HD3 ARG 66 - HB2 GLU 19 lone 0 52 - 1 - HD2 ARG 23 - HB2 GLU 19 lone 0 55 - 1 - HD3 ARG 23 - HB2 GLU 19 lone 0 55 - 1 - HD2 ARG 66 - HB2 GLU 19 lone 0 49 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 0 28 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 0 30 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 0 27 - 1 - HD3 ARG 66 - HB3 GLU 87 lone 0 42 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 0 29 - 1 - HD3 ARG 27 - HB3 GLU 87 lone 0 47 - 1 - HD2 ARG 27 - HB3 GLU 87 lone 0 47 - 1 - HD2 ARG 66 - HB3 GLU 87 lone 0 40 - 1 - HD2 ARG 17 - HB3 GLU 87 lone 0 41 - 1 - HD3 ARG 17 - HB3 GLU 87 lone 0 41 - 1 - HD3 ARG 23 - HB3 GLU 87 lone 0 45 - 1 - HD2 ARG 23 - HB3 GLU 87 lone 0 45 - 1 - HD3 ARG 71 - HB2 GLU 19 lone 0 33 - 1 - HD3 ARG 84 - HB2 GLU 19 lone 0 35 - 1 - HD2 ARG 84 - HB2 GLU 19 lone 0 32 - 1 - HD2 ARG 82 - HB2 GLU 19 lone 0 33 - 1 - HD3 ARG 71 - HB3 GLU 87 lone 0 27 - 1 - HD3 ARG 84 - HB3 GLU 87 lone 0 28 - 1 - HD2 ARG 84 - HB3 GLU 87 lone 0 25 - 1 - HD2 ARG 82 - HB3 GLU 87 lone 0 27 - 0 - Peak 1381 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 10 out of 135 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) * HD3 ARG 26 + HB3 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD3 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=2...(18) HD2 ARG 26 + HB2 ARG 26 OK 95 100 - 95 - 3.5=92, 532/3.9=3...(18) HD3 ARG 66 + HB2 ARG 66 OK 89 94 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD2 ARG 66 + HB2 ARG 66 OK 87 92 - 95 - 3.4=92, ~2701=5, ~2707=4...(15) HD3 ARG 27 + HB3 ARG 27 OK 49 52 - 93 - 3.5=85, 1420/3.0=3...(30) HD2 ARG 27 + HB3 ARG 27 OK 49 52 - 93 - 3.5=85, 1420/3.0=3...(30) HD2 ARG 27 + HB2 ARG 27 OK 47 50 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 27 + HB2 ARG 27 OK 47 50 - 93 - 3.5=85, 1421/3.0=3...(30) HD3 ARG 66 - HB2 ARG 26 OK 37 96 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 37 96 - 39 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB2 ARG 26 OK 36 93 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD2 ARG 66 - HB3 ARG 26 OK 36 93 - 39 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 70 - HB2 ARG 66 OK 35 58 - 60 - ~2867=3, ~2866=3...(50) HD2 ARG 26 - HB2 ARG 66 OK 30 99 - 30 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 26 - HB2 ARG 66 OK 29 99 - 29 - 3.0/1393=2, 2713/2.8=2...(9) HD3 ARG 71 - HB3 ARG 71 OK 27 30 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 71 - HB2 ARG 71 OK 26 28 - 91 - 3.5=86, ~2902=3, ~2937=3...(20) HD3 ARG 71 - HB3 ARG 26 OK 23 71 - 33 - ~2929=2, 1397/3.0=2...(9) HD3 ARG 27 - HB3 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 27 - HB2 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 23 99 - 23 - 5382/4.6=2, 1396/3.0=1...(4) HD3 ARG 71 - HB2 ARG 26 OK 23 71 - 33 - ~2929=2, 1397/3.0=2...(9) HD2 ARG 26 - HB3 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB3 ARG 71 OK 23 51 - 45 - 3.0/1392=2, ~1391=2...(9) HD2 ARG 26 - HB2 ARG 71 OK 22 49 - 45 - 3.0/1392=2, ~1391=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 22 49 - 45 - 3.0/1392=2, ~1391=2...(9) HD2 ARG 26 - HB3 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD3 ARG 26 - HB3 ARG 27 OK 18 54 - 33 - 5382/4.1=2, 3.0/1392=2...(5) HD2 ARG 26 - HB2 ARG 27 OK 17 52 - 33 - 5382/4.1=2, 1420/3.0=2...(5) HD3 ARG 26 - HB2 ARG 27 OK 17 52 - 33 - 5382/4.1=2, 1421/3.0=2...(5) HD3 ARG 66 - HB3 ARG 71 OK 14 45 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 17 - HB3 ARG 26 OK 14 92 - 15 - HD2 ARG 17 - HB3 ARG 26 OK 14 92 - 15 - HD3 ARG 17 - HB2 ARG 26 OK 14 92 - 15 - HD2 ARG 17 - HB2 ARG 26 OK 14 92 - 15 - HD2 ARG 66 - HB3 ARG 71 OK 14 43 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 23 - HB3 ARG 27 OK 14 50 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB3 ARG 27 OK 14 50 - 28 - ~1285=2, ~1287=1...(8) HD3 ARG 66 - HB2 ARG 71 OK 14 43 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 23 - HB2 ARG 27 OK 13 48 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 23 - HB2 ARG 27 OK 13 48 - 28 - ~1285=2, ~1287=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 13 41 - 32 - 3.0/2708=2, ~5167=2...(10) HD3 ARG 17 - HB3 ARG 71 poor 10 42 - 23 - ~2934=2 HD2 ARG 17 - HB3 ARG 71 poor 10 42 - 23 - ~2934=2 HD2 ARG 17 - HB2 ARG 71 poor 9 40 - 23 - ~2934=2 HD3 ARG 17 - HB2 ARG 71 poor 9 40 - 23 - ~2934=2 HD2 ARG 27 - HB2 ARG 66 lone 9 98 - 9 - HD3 ARG 27 - HB2 ARG 66 lone 9 98 - 9 - HD3 ARG 23 - HB2 ARG 66 lone 8 96 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 8 96 - 8 - HD3 ARG 27 - HB3 ARG 71 poor 8 50 - 16 - HD2 ARG 27 - HB3 ARG 71 poor 8 50 - 16 - HD2 ARG 23 - HB3 ARG 26 lone 8 97 - 8 - HD3 ARG 23 - HB3 ARG 26 lone 8 97 - 8 - HD2 ARG 23 - HB2 ARG 26 lone 8 97 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 8 97 - 8 - HD3 ARG 27 - HB2 ARG 71 poor 8 48 - 16 - HD2 ARG 27 - HB2 ARG 71 poor 8 48 - 16 - HD3 ARG 71 - HB2 ARG 66 poor 8 69 - 11 - HD2 ARG 23 - HB3 ARG 71 poor 7 47 - 14 - HD3 ARG 23 - HB3 ARG 71 poor 7 47 - 14 - HD3 ARG 70 - HB3 ARG 26 poor 6 60 - 10 - HD3 ARG 70 - HB2 ARG 26 poor 6 60 - 10 - HD3 ARG 23 - HB2 ARG 71 poor 6 45 - 14 - HD2 ARG 23 - HB2 ARG 71 poor 6 45 - 14 - HD3 ARG 17 - HB3 ARG 27 poor 6 45 - 13 - HD2 ARG 17 - HB3 ARG 27 poor 6 45 - 13 - HD3 ARG 70 - HB3 ARG 71 poor 6 24 - 23 - 5833/4.0=1, ~2935=1...(4) HD3 ARG 17 - HB2 ARG 27 poor 5 43 - 13 - HD2 ARG 17 - HB2 ARG 27 poor 5 43 - 13 - HD3 ARG 70 - HB2 ARG 71 poor 5 23 - 23 - 5833/4.0=1, ~2935=1...(4) HD3 ARG 66 - HB3 ARG 27 poor 5 48 - 11 - HD2 ARG 66 - HB3 ARG 27 poor 5 46 - 11 - HD3 ARG 66 - HB2 ARG 27 poor 5 46 - 11 - HD3 ARG 71 - HB3 ARG 27 poor 5 32 - 15 - HD2 ARG 66 - HB2 ARG 27 poor 5 44 - 11 - HD3 ARG 71 - HB2 ARG 27 poor 5 30 - 15 - HD3 ARG 17 - HB2 ARG 66 lone 4 90 - 5 - HD2 ARG 17 - HB2 ARG 66 lone 4 90 - 5 - HD3 ARG 84 - HB3 ARG 26 lone 4 68 - 5 - HD3 ARG 84 - HB2 ARG 26 lone 4 68 - 5 - HD2 ARG 84 - HB3 ARG 26 lone 4 63 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 4 63 - 5 - HD3 ARG 84 - HB3 ARG 71 poor 3 28 - 10 - HD3 ARG 84 - HB2 ARG 71 poor 3 27 - 10 - HD2 ARG 84 - HB3 ARG 71 poor 3 26 - 10 - HD2 ARG 84 - HB2 ARG 71 poor 3 24 - 10 - HD3 ARG 26 - HB2 GLU 19 lone 1 59 - 2 - HD2 ARG 26 - HB2 GLU 19 lone 1 59 - 2 - HD3 ARG 26 - HB3 GLU 87 lone 1 48 - 2 - HD2 ARG 26 - HB3 GLU 87 lone 1 48 - 2 - HD2 ARG 17 - HB2 GLU 19 lone 1 49 - 2 - HD3 ARG 17 - HB2 GLU 19 lone 1 49 - 2 - HD3 ARG 70 - HB3 ARG 27 lone 1 26 - 3 - HD3 ARG 70 - HB2 ARG 27 lone 1 25 - 3 - HD3 ARG 84 - HB2 ARG 66 lone 1 66 - 1 - HD3 ARG 84 - HB3 ARG 27 lone 1 30 - 2 - HD3 ARG 84 - HB2 ARG 27 lone 1 29 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 61 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 65 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 65 - 1 - HD2 ARG 84 - HB3 ARG 27 lone 1 27 - 2 - HD2 ARG 84 - HB2 ARG 27 lone 1 26 - 2 - HD2 ARG 82 - HB2 ARG 66 lone 1 64 - 1 - HD2 ARG 27 - HB2 GLU 19 lone 1 57 - 1 - HD3 ARG 27 - HB2 GLU 19 lone 1 57 - 1 - HD3 ARG 66 - HB2 GLU 19 lone 0 53 - 1 - HD2 ARG 66 - HB2 GLU 19 lone 0 50 - 1 - HD2 ARG 23 - HB2 GLU 19 lone 0 55 - 1 - HD3 ARG 23 - HB2 GLU 19 lone 0 55 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 0 27 - 1 - HD3 ARG 66 - HB3 GLU 87 lone 0 43 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 0 29 - 1 - HD3 ARG 27 - HB3 GLU 87 lone 0 47 - 1 - HD2 ARG 27 - HB3 GLU 87 lone 0 47 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 0 26 - 1 - HD2 ARG 66 - HB3 GLU 87 lone 0 41 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 0 27 - 1 - HD3 ARG 17 - HB3 GLU 87 lone 0 40 - 1 - HD2 ARG 17 - HB3 GLU 87 lone 0 40 - 1 - HD3 ARG 71 - HB2 GLU 19 lone 0 35 - 1 - HD2 ARG 23 - HB3 GLU 87 lone 0 44 - 1 - HD3 ARG 23 - HB3 GLU 87 lone 0 44 - 1 - HD3 ARG 84 - HB2 GLU 19 lone 0 33 - 1 - HD2 ARG 84 - HB2 GLU 19 lone 0 30 - 1 - HD2 ARG 82 - HB2 GLU 19 lone 0 32 - 1 - HD3 ARG 70 - HB2 GLU 19 lone 0 29 - 1 - HD3 ARG 71 - HB3 GLU 87 lone 0 28 - 1 - HD3 ARG 84 - HB3 GLU 87 lone 0 27 - 1 - HD3 ARG 70 - HB3 GLU 87 lone 0 23 - 1 - HD2 ARG 84 - HB3 GLU 87 lone 0 24 - 1 - HD2 ARG 82 - HB3 GLU 87 lone 0 25 - 0 - Peak 1382 from cnoeabs.peaks (8.13, 1.62, 27.49 ppm; 4.48 A): 3 out of 56 assignments used, quality = 0.98: * H ARG 26 + HG2 ARG 26 OK 92 100 - 92 - 4.9=75, 1390/1.8=27...(20) H ARG 26 + HG2 ARG 27 OK 51 89 - 57 - 5380/5.0=16, 5345/3.8=14...(15) H ARG 26 + HG3 ARG 27 OK 50 88 - 57 - 5380/5.0=16, 5345/3.8=14...(15) H ARG 71 - HG2 ARG 26 OK 35 71 - 50 - 1390/1.8=10, ~1391=6...(19) H ARG 71 - HG3 ARG 70 OK 30 34 - 88 - 5.0=72, 307/1.8=11...(14) H ARG 71 - HG2 ARG 27 OK 16 57 - 28 - 5380/5.0=4, 5341/3.8=2...(9) H ARG 71 - HG3 ARG 27 OK 16 56 - 28 - 5380/5.0=4, 5341/3.8=2...(9) H THR 88 - HG2 ARG 27 OK 12 89 - 13 - 873/3.8=5, 5380/5.0=4 H THR 88 - HG3 ARG 27 OK 12 88 - 13 - 873/3.8=5, 5380/5.0=4 H ARG 26 - HG3 ARG 17 OK 12 60 - 20 - 529=2, 4.9/1394=2...(5) H ARG 26 - HG2 ARG 17 OK 12 60 - 20 - 529=2, 529/1.8=2...(5) H LYS 85 - HG2 ARG 84 poor 9 30 - 31 - 377/3.9=12, 378/3.0=6...(10) H LYS 85 - HG3 ARG 84 poor 9 30 - 31 - 377/3.9=12, 378/3.0=6...(10) H ARG 71 - HG3 ARG 17 poor 9 35 - 26 - 5.0/2932=2, 779/2.9=2...(9) H ARG 71 - HG2 ARG 17 poor 9 35 - 26 - 5.0/2932=2, 779/2.9=2...(9) H THR 88 - HG2 ARG 26 lone 9 100 - 9 - 1390/1.8=2, 5901/3.0=1 H ARG 26 - HG3 ARG 70 poor 8 58 - 14 - 529=1, ~5395=1, 5391/4.0=1 H ARG 26 - HG3 ARG 84 lone 5 55 - 9 - H ARG 26 - HG2 ARG 84 lone 5 55 - 9 - H ASN 74 - HG2 ARG 26 lone 5 81 - 6 - 1390/1.8=1, 1358/3.7=1 H ARG 71 - HG3 ARG 84 poor 5 32 - 15 - 3.6/2845=1, 307/3.0=1 H ARG 71 - HG2 ARG 84 poor 5 32 - 15 - 3.6/2845=1, 307/3.0=1 H THR 88 - HG3 ARG 17 lone 4 60 - 7 - 872/4.0=1 H THR 88 - HG2 ARG 17 lone 4 60 - 7 - 872/4.0=1 H LYS 85 - HG3 ARG 70 poor 4 33 - 13 - 5390/4.9=3, 5391/4.0=3 H LYS 85 - HG2 ARG 26 lone 3 68 - 4 - H LEU 57 - HG2 ARG 26 lone 3 83 - 4 - 1390/1.8=1 H ASN 74 - HG2 ARG 27 lone 3 66 - 5 - H ASN 74 - HG3 ARG 27 lone 3 65 - 4 - H ASN 74 - HG3 ARG 84 lone 3 37 - 8 - 323/3.9=1, 4.5/792=1 H ASN 74 - HG2 ARG 84 lone 3 37 - 8 - 323/3.9=1, 4.5/792=1 H LEU 57 - HG2 ARG 27 lone 2 68 - 3 - H LEU 57 - HG3 ARG 27 lone 2 67 - 3 - H LYS 85 - HG2 ARG 27 lone 2 55 - 4 - H ALA 78 - HG2 ARG 26 lone 2 89 - 2 - H LYS 85 - HG3 ARG 17 lone 2 34 - 6 - 4.7/860=2 H LYS 85 - HG3 ARG 27 lone 2 54 - 4 - H LYS 85 - HG2 ARG 17 lone 2 33 - 6 - 4.7/860=2 H THR 88 - HG3 ARG 70 lone 2 58 - 4 - H LEU 57 - HG3 ARG 70 lone 2 42 - 4 - 692/2.9=1, 692/2.9=1 H ASN 74 - HG3 ARG 70 lone 2 40 - 4 - 4.5/792=1 H ALA 78 - HG2 ARG 27 lone 2 74 - 2 - H ALA 78 - HG3 ARG 27 lone 2 73 - 2 - H ASN 74 - HG3 ARG 17 lone 2 41 - 4 - H ASN 74 - HG2 ARG 17 lone 2 41 - 4 - H THR 88 - HG2 ARG 84 lone 1 55 - 2 - H THR 88 - HG3 ARG 84 lone 1 55 - 2 - H ALA 78 - HG2 ARG 84 lone 1 43 - 2 - H ALA 78 - HG3 ARG 84 lone 1 43 - 2 - H LEU 57 - HG3 ARG 17 lone 1 43 - 2 - H LEU 57 - HG2 ARG 17 lone 1 43 - 2 - H ALA 78 - HG3 ARG 17 lone 1 47 - 1 - H ALA 78 - HG2 ARG 17 lone 1 47 - 1 - H ALA 78 - HG3 ARG 70 lone 1 46 - 1 - H LEU 57 - HG2 ARG 84 lone 1 39 - 2 - H LEU 57 - HG3 ARG 84 lone 1 39 - 2 - Peak 1383 from cnoeabs.peaks (4.07, 1.62, 27.49 ppm; 3.85 A): 2 out of 48 assignments used, quality = 1.00: * HA ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.7=100 HA ARG 71 + HG2 ARG 26 OK 46 99 - 47 - 1391/1.8=8, ~1390=4...(17) HA ARG 26 - HG2 ARG 27 OK 30 89 - 34 - 3.6/537=6, 3.0/529=4...(12) HA ARG 26 - HG3 ARG 27 OK 29 88 - 34 - 3.6/537=6, 3.0/529=4...(12) HA ARG 71 - HG3 ARG 70 OK 27 56 - 49 - ~307=6, 5395/1.8=6...(17) HA GLU 25 - HG2 ARG 26 OK 25 83 - 30 - 526/4.9=6, 1391/1.8=6...(10) HA ARG 71 - HG2 ARG 27 OK 23 87 - 26 - 61/5.0=3, 3.8/2932=2...(5) HA ARG 71 - HG3 ARG 27 OK 22 86 - 26 - 61/5.0=3, 3.8/2932=1...(5) HA ARG 71 - HG3 ARG 17 OK 18 57 - 31 - 3.8/2932=3, 2900=2...(7) HA ARG 71 - HG2 ARG 17 OK 18 57 - 31 - 3.8/2932=3, 2900=2...(7) HA ALA 63 - HG2 ARG 26 OK 15 99 - 15 - 1391/1.8=3, 5369/3.0=3...(6) HA GLU 25 - HG2 ARG 27 OK 13 68 - 20 - 61/5.0=3, 3.6/529=3...(7) HA GLU 25 - HG3 ARG 27 OK 13 67 - 20 - 61/5.0=3, 3.6/529=3...(7) HA ALA 63 - HG3 ARG 70 OK 12 56 - 21 - 4684/2.9=3, 4684/2.9=3...(9) HA ARG 26 - HG3 ARG 17 OK 10 60 - 17 - 3.7/1394=2, 3.6/64=2...(4) HA ARG 26 - HG2 ARG 17 OK 10 60 - 17 - 3.7/1394=2, 3.6/64=2...(4) HA ARG 26 - HG3 ARG 70 poor 9 58 - 16 - 775/5.0=4, 5395/1.8=2...(4) HA ARG 71 - HG2 ARG 84 poor 7 52 - 14 - 2902/2.9=1, 2902/2.9=1 HA ARG 71 - HG3 ARG 84 poor 7 52 - 14 - 2902/2.9=1, 2902/2.9=1 HA ALA 63 - HG2 ARG 27 lone 5 87 - 6 - HA ALA 63 - HG3 ARG 27 lone 5 86 - 6 - HA ALA 63 - HG3 ARG 17 lone 5 57 - 8 - 5783/5.0=2, 5783/5.0=2 HA ALA 63 - HG2 ARG 17 lone 5 57 - 8 - 5783/5.0=2, 5783/5.0=2 HA ARG 26 - HG3 ARG 84 lone 4 55 - 7 - HA ARG 26 - HG2 ARG 84 lone 4 55 - 7 - HA VAL 90 - HG2 ARG 26 lone 3 99 - 3 - HA GLU 25 - HG3 ARG 70 lone 2 42 - 6 - 775/5.0=2 HA GLU 25 - HG3 ARG 17 lone 2 43 - 5 - 3.6/529=1 HA GLU 25 - HG2 ARG 17 lone 2 43 - 5 - HA ALA 63 - HG2 ARG 84 lone 2 52 - 4 - HA ALA 63 - HG3 ARG 84 lone 2 52 - 4 - HA GLU 59 - HG2 ARG 26 lone 1 73 - 2 - HA VAL 90 - HG2 ARG 27 lone 1 87 - 1 - HA VAL 90 - HG3 ARG 27 lone 1 86 - 1 - HA VAL 90 - HG2 ARG 84 lone 1 52 - 2 - HA VAL 90 - HG3 ARG 84 lone 1 52 - 2 - HA GLU 25 - HG3 ARG 84 lone 1 39 - 3 - HA GLU 25 - HG2 ARG 84 lone 1 39 - 3 - HA VAL 90 - HG3 ARG 70 lone 1 56 - 2 - HA VAL 90 - HG3 ARG 17 lone 1 57 - 1 - HA GLU 59 - HG3 ARG 70 lone 1 36 - 2 - HA VAL 90 - HG2 ARG 17 lone 1 57 - 1 - HA GLU 59 - HG2 ARG 84 lone 1 33 - 2 - HA GLU 59 - HG3 ARG 84 lone 1 33 - 2 - HA GLU 59 - HG2 ARG 27 lone 1 59 - 1 - HA GLU 59 - HG3 ARG 27 lone 1 58 - 1 - HA GLU 59 - HG3 ARG 17 lone 0 37 - 1 - HA GLU 59 - HG2 ARG 17 lone 0 37 - 1 - Peak 1384 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.16 A): 6 out of 120 assignments used, quality = 1.00: * HB2 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 55 55 - 100 - 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 54 54 - 100 - 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 53 53 - 100 - 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 52 52 - 100 - 2.9=100 HB2 ARG 66 - HG3 ARG 70 OK 30 58 - 52 - ~2867=4, ~2866=4...(21) HB3 ARG 71 - HG2 ARG 26 OK 28 68 - 41 - 2.8/2932=3, 1392/1.8=3...(12) HB2 ARG 71 - HG2 ARG 26 OK 27 65 - 41 - 2.8/2932=3, 1392/1.8=3...(12) HB3 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB3 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 66 - HG2 ARG 26 OK 21 100 - 21 - 1393/1.8=2, 1.8/2853=1 HB3 ARG 27 - HG2 ARG 26 OK 18 68 - 27 - 4.1/537=2, 3.0/1418=2...(7) HB2 ARG 27 - HG2 ARG 26 OK 17 65 - 27 - 4.1/537=2, 3.0/1418=2...(7) HB3 ARG 26 - HG3 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB3 ARG 26 - HG2 ARG 17 OK 11 59 - 18 - 3.0/1394=2 HB2 ARG 26 - HG3 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB2 ARG 26 - HG2 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB3 ARG 71 - HG2 ARG 27 OK 10 55 - 19 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 27 OK 10 54 - 19 - 2.8/2932=1 HB3 PRO 34 - HG2 ARG 26 OK 10 99 - 10 - 1393/1.8=1 HB2 ARG 71 - HG2 ARG 27 poor 10 53 - 19 - 2.8/2932=1 HB2 ARG 71 - HG3 ARG 27 poor 10 52 - 19 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 17 poor 9 34 - 28 - 2.8/2932=3, ~2932=1 HB3 ARG 71 - HG2 ARG 17 poor 9 33 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 71 - HG3 ARG 17 poor 9 32 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 71 - HG2 ARG 17 poor 9 32 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 66 - HG2 ARG 27 lone 8 89 - 8 - HB2 ARG 66 - HG3 ARG 27 lone 7 87 - 8 - HB3 ARG 71 - HG3 ARG 70 poor 7 33 - 21 - 4.0/778=3, ~5395=2...(6) HB2 ARG 71 - HG3 ARG 70 poor 6 31 - 20 - 4.0/778=3, ~5395=2...(6) HB2 ARG 26 - HG3 ARG 70 poor 6 58 - 10 - HB3 ARG 26 - HG3 ARG 70 poor 6 58 - 10 - HB3 PRO 34 - HG2 ARG 27 lone 5 87 - 5 - HB3 ARG 27 - HG3 ARG 17 poor 5 34 - 13 - 3.0/1418=1 HB3 PRO 34 - HG3 ARG 27 lone 4 86 - 5 - HB3 ARG 27 - HG2 ARG 17 poor 5 33 - 13 - 3.0/1418=1 HB3 PRO 14 - HG2 ARG 26 lone 4 99 - 4 - HB2 ARG 27 - HG3 ARG 17 poor 4 32 - 14 - 3.0/1418=1 HB2 ARG 27 - HG2 ARG 17 poor 4 32 - 14 - 3.0/1418=1 HB3 ARG 26 - HG2 ARG 84 lone 3 54 - 6 - HB3 ARG 26 - HG3 ARG 84 lone 3 54 - 6 - HB2 ARG 26 - HG2 ARG 84 lone 3 55 - 6 - HB2 ARG 26 - HG3 ARG 84 lone 3 55 - 6 - HB3 ARG 71 - HG2 ARG 84 poor 3 30 - 11 - HB3 ARG 71 - HG3 ARG 84 poor 3 30 - 11 - HB2 ARG 71 - HG3 ARG 84 poor 3 29 - 11 - HB2 ARG 71 - HG2 ARG 84 poor 3 29 - 11 - HB2 GLN 91 - HG2 ARG 26 lone 3 89 - 3 - HB ILE 68 - HG2 ARG 26 lone 2 89 - 3 - HB2 ARG 66 - HG3 ARG 17 lone 2 59 - 4 - HB2 ARG 66 - HG2 ARG 17 lone 2 59 - 4 - HB ILE 68 - HG2 ARG 27 lone 2 74 - 3 - HB ILE 68 - HG3 ARG 27 lone 2 73 - 3 - HB2 LYS 39 - HG3 ARG 84 lone 2 32 - 6 - HB2 LYS 39 - HG2 ARG 84 lone 2 32 - 6 - HB2 MET 11 - HG2 ARG 26 lone 2 100 - 2 - HB3 GLU 87 - HG2 ARG 26 lone 2 63 - 3 - HB3 PRO 34 - HG2 ARG 84 lone 1 53 - 2 - HB3 PRO 34 - HG3 ARG 84 lone 1 53 - 2 - HB3 PRO 14 - HG3 ARG 70 lone 1 56 - 2 - HB ILE 68 - HG3 ARG 70 lone 1 46 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 57 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 1 33 - 3 - HB2 LYS 39 - HG3 ARG 27 lone 1 56 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 1 31 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 1 35 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 1 35 - 2 - HB3 PRO 14 - HG2 ARG 27 lone 1 87 - 1 - HB3 PRO 14 - HG3 ARG 27 lone 1 86 - 1 - HB2 GLN 91 - HG2 ARG 27 lone 1 74 - 1 - HB2 GLN 91 - HG3 ARG 27 lone 1 73 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 1 71 - 1 - HG12 ILE 40 - HG2 ARG 26 lone 1 71 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 1 58 - 1 - HB3 PRO 34 - HG2 ARG 17 lone 1 58 - 1 - HB2 ARG 66 - HG3 ARG 84 lone 1 54 - 1 - HB2 ARG 66 - HG2 ARG 84 lone 1 54 - 1 - HB3 GLU 87 - HG2 ARG 27 lone 1 50 - 1 - HB3 GLU 87 - HG3 ARG 27 lone 1 49 - 1 - HB3 ARG 27 - HG3 ARG 84 lone 1 30 - 2 - HB3 ARG 27 - HG2 ARG 84 lone 1 30 - 2 - HB3 PRO 14 - HG3 ARG 84 lone 1 52 - 1 - HB3 PRO 14 - HG2 ARG 84 lone 1 52 - 1 - HB2 ARG 27 - HG2 ARG 84 lone 1 29 - 2 - HB2 ARG 27 - HG3 ARG 84 lone 1 29 - 2 - HB ILE 68 - HG3 ARG 17 lone 1 47 - 1 - HB ILE 68 - HG2 ARG 17 lone 1 47 - 1 - HB ILE 68 - HG3 ARG 84 lone 1 43 - 1 - HB ILE 68 - HG2 ARG 84 lone 1 43 - 1 - HB3 PRO 34 - HG3 ARG 70 lone 0 57 - 1 - HB2 MET 11 - HG2 ARG 27 lone 0 88 - 1 - HB2 MET 11 - HG3 ARG 27 lone 0 87 - 1 - HB2 MET 11 - HG3 ARG 70 lone 0 57 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 0 34 - 1 - HB3 GLU 87 - HG3 ARG 17 lone 0 31 - 1 - HB3 GLU 87 - HG2 ARG 17 lone 0 30 - 1 - HB3 PRO 14 - HG3 ARG 17 lone 0 57 - 1 - HB3 PRO 14 - HG2 ARG 17 lone 0 57 - 1 - HG12 ILE 40 - HG2 ARG 27 lone 0 57 - 1 - HG12 ILE 40 - HG3 ARG 27 lone 0 56 - 1 - HB3 GLU 87 - HG3 ARG 70 lone 0 30 - 1 - HB2 MET 11 - HG3 ARG 17 lone 0 59 - 0 - HB2 MET 11 - HG2 ARG 17 lone 0 58 - 0 - HB2 GLN 91 - HG3 ARG 17 lone 0 47 - 1 - HB2 GLN 91 - HG2 ARG 17 lone 0 47 - 1 - HG12 ILE 40 - HG3 ARG 84 lone 0 32 - 1 - HG12 ILE 40 - HG2 ARG 84 lone 0 32 - 1 - HB2 MET 11 - HG3 ARG 84 lone 0 53 - 0 - HB2 MET 11 - HG2 ARG 84 lone 0 53 - 0 - HB2 GLN 91 - HG3 ARG 70 lone 0 46 - 0 - HG12 ILE 40 - HG3 ARG 70 lone 0 34 - 1 - HB2 GLN 91 - HG3 ARG 84 lone 0 43 - 0 - HB2 GLN 91 - HG2 ARG 84 lone 0 43 - 0 - HB3 GLU 87 - HG3 ARG 84 lone 0 28 - 1 - HB3 GLU 87 - HG2 ARG 84 lone 0 28 - 1 - HG12 ILE 40 - HG3 ARG 17 lone 0 35 - 0 - HG12 ILE 40 - HG2 ARG 17 lone 0 35 - 0 - Peak 1385 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.16 A): 6 out of 128 assignments used, quality = 1.00: * HB3 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HB2 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 53 53 - 100 - 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 52 52 - 100 - 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 50 50 - 100 - 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 49 49 - 100 - 2.9=100 HB2 ARG 66 - HG3 ARG 70 OK 29 57 - 52 - ~2867=4, ~2866=4...(21) HB3 ARG 71 - HG2 ARG 26 OK 27 65 - 41 - 2.8/2932=3, 1392/1.8=3...(12) HB2 ARG 71 - HG2 ARG 26 OK 26 63 - 41 - 2.8/2932=3, 1392/1.8=3...(12) HB3 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB3 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 4.6/537=3, 3.0/1394=2...(6) HB2 ARG 66 - HG2 ARG 26 OK 21 100 - 21 - 1393/1.8=2, 1.8/2861=1 HB3 ARG 27 - HG2 ARG 26 OK 17 65 - 27 - 4.1/537=2, 3.0/1418=2...(7) HB2 ARG 27 - HG2 ARG 26 OK 17 63 - 27 - 4.1/537=2, 3.0/1418=2...(7) HB3 ARG 26 - HG3 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB3 ARG 26 - HG2 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB2 ARG 26 - HG3 ARG 17 OK 11 60 - 18 - 3.0/1394=2 HB2 ARG 26 - HG2 ARG 17 OK 11 59 - 18 - 3.0/1394=2 HB3 PRO 34 - HG2 ARG 26 OK 10 99 - 10 - 1393/1.8=1 HB3 ARG 71 - HG2 ARG 27 poor 10 53 - 19 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 27 poor 10 52 - 19 - 2.8/2932=1 HB2 ARG 71 - HG2 ARG 27 poor 9 50 - 19 - 2.8/2932=1 HB2 ARG 71 - HG3 ARG 27 poor 9 49 - 19 - 2.8/2932=1 HB3 ARG 71 - HG3 ARG 17 poor 9 32 - 28 - 2.8/2932=3, ~2932=1 HB3 ARG 71 - HG2 ARG 17 poor 9 32 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 71 - HG3 ARG 17 poor 8 31 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 71 - HG2 ARG 17 poor 8 30 - 28 - 2.8/2932=3, ~2932=1 HB2 ARG 66 - HG2 ARG 27 lone 7 88 - 8 - HB2 ARG 66 - HG3 ARG 27 lone 7 87 - 8 - HB3 ARG 71 - HG3 ARG 70 poor 6 31 - 21 - 4.0/778=3, ~5395=2...(6) HB2 ARG 71 - HG3 ARG 70 poor 6 30 - 20 - 4.0/778=3, ~5395=2...(6) HB2 ARG 26 - HG3 ARG 70 poor 6 58 - 10 - HB3 ARG 26 - HG3 ARG 70 poor 6 58 - 10 - HB3 PRO 34 - HG2 ARG 27 lone 5 87 - 5 - HB3 PRO 14 - HG2 ARG 26 lone 4 99 - 4 - HB3 PRO 34 - HG3 ARG 27 lone 4 86 - 5 - HB3 ARG 27 - HG3 ARG 17 poor 4 32 - 13 - 3.0/1418=1 HB3 ARG 27 - HG2 ARG 17 poor 4 32 - 13 - 3.0/1418=1 HB2 ARG 27 - HG3 ARG 17 poor 4 31 - 13 - 3.0/1418=1 HB2 ARG 27 - HG2 ARG 17 poor 4 30 - 13 - 3.0/1418=1 HB3 ARG 26 - HG3 ARG 84 lone 3 55 - 6 - HB3 ARG 26 - HG2 ARG 84 lone 3 55 - 6 - HB2 ARG 26 - HG2 ARG 84 lone 3 54 - 6 - HB2 ARG 26 - HG3 ARG 84 lone 3 54 - 6 - HB3 ARG 71 - HG2 ARG 84 poor 3 29 - 11 - HB3 ARG 71 - HG3 ARG 84 poor 3 29 - 11 - HB2 GLN 91 - HG2 ARG 26 lone 3 90 - 3 - HB2 ARG 71 - HG3 ARG 84 poor 3 28 - 11 - HB2 ARG 71 - HG2 ARG 84 poor 3 28 - 11 - HB ILE 68 - HG2 ARG 26 lone 3 90 - 3 - HB2 ARG 66 - HG3 ARG 17 lone 2 59 - 4 - HB2 ARG 66 - HG2 ARG 17 lone 2 58 - 4 - HB ILE 68 - HG2 ARG 27 lone 2 76 - 3 - HB ILE 68 - HG3 ARG 27 lone 2 75 - 3 - HB2 LYS 39 - HG2 ARG 84 lone 2 30 - 6 - HB2 LYS 39 - HG3 ARG 84 lone 2 30 - 6 - HB2 MET 11 - HG2 ARG 26 lone 2 100 - 2 - HB3 GLU 87 - HG2 ARG 26 lone 2 65 - 3 - HB2 GLU 19 - HG2 ARG 26 lone 1 60 - 2 - HB3 PRO 34 - HG3 ARG 84 lone 1 52 - 2 - HB3 PRO 34 - HG2 ARG 84 lone 1 52 - 2 - HB ILE 68 - HG3 ARG 70 lone 1 47 - 2 - HB3 PRO 14 - HG3 ARG 70 lone 1 57 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 55 - 2 - HB2 LYS 39 - HG3 ARG 27 lone 1 54 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 1 31 - 3 - HB2 ARG 27 - HG3 ARG 70 lone 1 30 - 3 - HB3 PRO 14 - HG2 ARG 27 lone 1 87 - 1 - HB3 PRO 14 - HG3 ARG 27 lone 1 86 - 1 - HB2 GLN 91 - HG2 ARG 27 lone 1 76 - 1 - HB2 GLN 91 - HG3 ARG 27 lone 1 75 - 1 - HB2 GLU 19 - HG3 ARG 17 lone 1 29 - 3 - HB2 GLU 19 - HG2 ARG 17 lone 1 29 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 1 34 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 1 33 - 2 - HB2 LYS 39 - HG2 ARG 26 lone 1 68 - 1 - HG12 ILE 40 - HG2 ARG 26 lone 1 73 - 1 - HB3 GLU 87 - HG2 ARG 27 lone 1 53 - 1 - HB3 GLU 87 - HG3 ARG 27 lone 1 52 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 1 57 - 1 - HB3 PRO 34 - HG2 ARG 17 lone 1 57 - 1 - HB2 ARG 66 - HG2 ARG 84 lone 1 53 - 1 - HB2 ARG 66 - HG3 ARG 84 lone 1 53 - 1 - HB3 PRO 14 - HG3 ARG 84 lone 1 53 - 1 - HB3 PRO 14 - HG2 ARG 84 lone 1 53 - 1 - HB3 ARG 27 - HG3 ARG 84 lone 1 29 - 2 - HB3 ARG 27 - HG2 ARG 84 lone 1 29 - 2 - HB ILE 68 - HG3 ARG 17 lone 1 48 - 1 - HB ILE 68 - HG2 ARG 17 lone 1 48 - 1 - HB2 ARG 27 - HG2 ARG 84 lone 1 28 - 2 - HB2 ARG 27 - HG3 ARG 84 lone 1 28 - 2 - HB ILE 68 - HG3 ARG 84 lone 1 44 - 1 - HB ILE 68 - HG2 ARG 84 lone 1 44 - 1 - HB2 GLU 19 - HG2 ARG 27 lone 1 48 - 1 - HB2 GLU 19 - HG3 ARG 27 lone 1 47 - 1 - HB2 MET 11 - HG2 ARG 27 lone 0 89 - 1 - HB3 PRO 34 - HG3 ARG 70 lone 0 56 - 1 - HB2 MET 11 - HG3 ARG 27 lone 0 87 - 1 - HB3 GLU 87 - HG3 ARG 17 lone 0 32 - 1 - HB3 GLU 87 - HG2 ARG 17 lone 0 32 - 1 - HB2 MET 11 - HG3 ARG 70 lone 0 58 - 1 - HG12 ILE 40 - HG2 ARG 27 lone 0 59 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 0 33 - 1 - HG12 ILE 40 - HG3 ARG 27 lone 0 58 - 1 - HB3 PRO 14 - HG3 ARG 17 lone 0 58 - 1 - HB3 PRO 14 - HG2 ARG 17 lone 0 58 - 1 - HB3 GLU 87 - HG3 ARG 70 lone 0 31 - 1 - HB2 MET 11 - HG3 ARG 17 lone 0 59 - 0 - HB2 MET 11 - HG2 ARG 17 lone 0 59 - 0 - HB2 GLN 91 - HG3 ARG 17 lone 0 48 - 1 - HB2 GLN 91 - HG2 ARG 17 lone 0 48 - 1 - HG12 ILE 40 - HG2 ARG 84 lone 0 33 - 1 - HG12 ILE 40 - HG3 ARG 84 lone 0 33 - 1 - HB2 MET 11 - HG3 ARG 84 lone 0 54 - 0 - HB2 MET 11 - HG2 ARG 84 lone 0 54 - 0 - HB2 GLN 91 - HG3 ARG 70 lone 0 47 - 0 - HG12 ILE 40 - HG3 ARG 70 lone 0 36 - 1 - HB3 GLU 87 - HG3 ARG 84 lone 0 29 - 1 - HB3 GLU 87 - HG2 ARG 84 lone 0 29 - 1 - HB2 GLN 91 - HG2 ARG 84 lone 0 44 - 0 - HB2 GLN 91 - HG3 ARG 84 lone 0 44 - 0 - HB2 GLU 19 - HG2 ARG 84 lone 0 26 - 1 - HB2 GLU 19 - HG3 ARG 84 lone 0 26 - 1 - HG12 ILE 40 - HG3 ARG 17 lone 0 37 - 0 - HG12 ILE 40 - HG2 ARG 17 lone 0 37 - 0 - HB2 GLU 19 - HG3 ARG 70 lone 0 28 - 1 - Peak 1386 from cnoeabs.peaks (1.62, 1.62, 27.49 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: * HG2 ARG 26 + HG2 ARG 26 OK 100 100 - 100 HG2 ARG 27 + HG2 ARG 27 OK 84 84 - 100 HG3 ARG 27 + HG3 ARG 27 OK 82 82 - 100 HG3 ARG 17 + HG3 ARG 17 OK 60 60 - 100 HG2 ARG 17 + HG2 ARG 17 OK 59 59 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 HG3 ARG 84 - HG3 ARG 84 OK 28 28 - 100 HG2 ARG 84 - HG2 ARG 84 OK 28 28 - 100 Peak 1387 from cnoeabs.peaks (1.75, 1.62, 27.49 ppm; 2.71 A): 3 out of 120 assignments used, quality = 1.00: * HG3 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 1.8=100 HB3 ARG 17 + HG3 ARG 17 OK 50 59 - 86 - 2.9=78, 1167/1.8=6...(13) HB3 ARG 17 + HG2 ARG 17 OK 50 58 - 86 - 2.9=78, 1167/1.8=6...(13) HG3 ARG 71 - HG2 ARG 26 OK 32 100 - 32 - 2932=5, 2929/3.7=3...(9) HB2 ARG 84 - HG3 ARG 84 OK 30 36 - 84 - 3.0=77, 3380/1.8=5...(13) HB2 ARG 84 - HG2 ARG 84 OK 30 36 - 84 - 3.0=77, 3380/1.8=5...(13) HG3 ARG 26 - HG2 ARG 27 OK 17 89 - 19 - 1394=4, 1394/1.8=2...(5) HG3 ARG 26 - HG3 ARG 27 OK 16 88 - 19 - 1394=4, 1394/1.8=2...(5) HG3 ARG 71 - HG3 ARG 17 OK 16 59 - 27 - 2932=4, 2932/1.8=3...(7) HG3 ARG 71 - HG2 ARG 17 OK 15 59 - 27 - 2932=4, 2932/1.8=3...(7) HG3 ARG 71 - HG2 ARG 27 OK 13 89 - 15 - 2932=2, 2932/1.8=2, 65/5.0=1 HG3 ARG 71 - HG3 ARG 27 OK 13 88 - 15 - 2932=2, 2932/1.8=2, 65/5.0=1 HB3 ARG 17 - HG2 ARG 26 OK 11 100 - 11 - 1167=1 HB3 ARG 17 - HG2 ARG 27 OK 11 88 - 12 - 1167=1 HB3 ARG 17 - HG3 ARG 27 OK 11 87 - 12 - 1167=1 HG3 ARG 71 - HG3 ARG 70 OK 11 58 - 18 - 2928/5.0=4, 2932=3...(5) HG3 ARG 26 - HG3 ARG 17 poor 9 60 - 16 - 1394=3, 1394/1.8=2, 1149/4.0=1 HG3 ARG 26 - HG2 ARG 17 poor 9 60 - 16 - 1394=3, 1394/1.8=2, 1149/4.0=1 HG2 PRO 34 - HG2 ARG 26 lone 8 97 - 8 - 1723/3.0=1, 1723/3.0=1 HB2 LEU 62 - HG2 ARG 26 lone 6 100 - 6 - 4678/3.7=1 HG3 ARG 71 - HG2 ARG 84 lone 5 54 - 9 - 2932=1 HG3 ARG 71 - HG3 ARG 84 lone 5 54 - 9 - 2932=1 HB3 ARG 17 - HG3 ARG 84 lone 4 53 - 8 - HB3 ARG 17 - HG2 ARG 84 lone 4 53 - 8 - HG3 ARG 26 - HG3 ARG 70 lone 4 58 - 7 - 1390/5.0=2, 1394=1 HG2 PRO 34 - HG2 ARG 27 lone 3 83 - 4 - HG2 PRO 34 - HG3 ARG 27 lone 3 82 - 4 - HB2 ARG 84 - HG3 ARG 17 lone 3 40 - 8 - HB2 ARG 84 - HG2 ARG 17 lone 3 40 - 8 - HB2 LEU 62 - HG3 ARG 84 lone 3 54 - 5 - HB2 LEU 62 - HG2 ARG 84 lone 3 54 - 5 - HB3 LYS 85 - HG2 ARG 84 lone 3 30 - 9 - 6062/3.9=1, 3385/3.0=1 HB3 LYS 85 - HG3 ARG 84 lone 3 30 - 9 - 6062/3.9=1, 3385/3.0=1 HB3 LYS 73 - HG3 ARG 84 poor 3 26 - 10 - HB3 LYS 73 - HG2 ARG 84 poor 3 26 - 10 - HB2 LEU 62 - HG3 ARG 70 lone 3 58 - 4 - HB2 LYS 32 - HG3 ARG 70 lone 3 34 - 7 - HB3 LYS 32 - HG3 ARG 70 lone 3 34 - 7 - HB2 ARG 84 - HG2 ARG 26 lone 2 78 - 3 - HB2 LYS 32 - HG2 ARG 26 lone 2 71 - 3 - HB3 LYS 32 - HG2 ARG 26 lone 2 71 - 3 - HG3 ARG 26 - HG2 ARG 84 lone 2 55 - 4 - HG3 ARG 26 - HG3 ARG 84 lone 2 55 - 4 - HB2 LEU 62 - HG3 ARG 17 lone 2 60 - 3 - HB2 LEU 62 - HG2 ARG 17 lone 2 59 - 3 - HB2 LYS 32 - HG2 ARG 84 lone 2 32 - 5 - HB3 LYS 32 - HG2 ARG 84 lone 2 32 - 5 - HB2 LYS 32 - HG3 ARG 84 lone 2 32 - 5 - HB3 LYS 32 - HG3 ARG 84 lone 2 32 - 5 - HB3 ARG 17 - HG3 ARG 70 lone 2 57 - 3 - HB2 LEU 57 - HG3 ARG 70 lone 2 45 - 4 - HB2 LYS 32 - HG3 ARG 17 lone 2 35 - 4 - HB3 LYS 32 - HG3 ARG 17 lone 2 35 - 4 - HB3 LYS 32 - HG2 ARG 17 lone 1 35 - 4 - HB2 LYS 32 - HG2 ARG 17 lone 1 35 - 4 - HB3 LYS 32 - HG2 ARG 27 lone 1 57 - 2 - HB2 LYS 32 - HG2 ARG 27 lone 1 57 - 2 - HB3 ARG 82 - HG2 ARG 84 lone 1 43 - 3 - HB3 ARG 82 - HG3 ARG 84 lone 1 43 - 3 - HB2 ARG 84 - HG2 ARG 27 lone 1 64 - 2 - HB2 LYS 32 - HG3 ARG 27 lone 1 56 - 2 - HB3 LYS 32 - HG3 ARG 27 lone 1 56 - 2 - HB2 LEU 57 - HG2 ARG 26 lone 1 87 - 2 - HB2 ARG 84 - HG3 ARG 27 lone 1 63 - 2 - HB2 LEU 62 - HG2 ARG 27 lone 1 89 - 1 - HB2 LEU 62 - HG3 ARG 27 lone 1 88 - 1 - HB2 LEU 43 - HG2 ARG 26 lone 1 73 - 1 - HB2 ARG 84 - HG3 ARG 70 lone 1 39 - 3 - HB3 ARG 82 - HG3 ARG 17 lone 1 47 - 2 - HB3 ARG 82 - HG2 ARG 17 lone 1 47 - 2 - HB3 ARG 82 - HG2 ARG 26 lone 1 89 - 1 - HB3 LYS 73 - HG2 ARG 26 lone 1 60 - 1 - HB3 LYS 73 - HG3 ARG 17 lone 1 29 - 3 - HB3 LYS 73 - HG2 ARG 17 lone 1 29 - 3 - HB2 ARG 54 - HG3 ARG 70 lone 1 46 - 2 - HB2 LEU 43 - HG3 ARG 84 lone 1 33 - 2 - HB2 LEU 43 - HG2 ARG 84 lone 1 33 - 2 - HB2 ARG 54 - HG2 ARG 84 lone 1 43 - 2 - HB2 ARG 54 - HG3 ARG 84 lone 1 43 - 2 - HB2 LEU 57 - HG2 ARG 27 lone 1 72 - 1 - HB3 ARG 82 - HG2 ARG 27 lone 1 74 - 1 - HB ILE 33 - HG2 ARG 26 lone 1 83 - 1 - HB3 LYS 73 - HG3 ARG 70 lone 1 28 - 3 - HB2 LEU 57 - HG3 ARG 27 lone 1 71 - 1 - HB3 ARG 82 - HG3 ARG 27 lone 1 73 - 1 - HG2 PRO 34 - HG3 ARG 84 lone 1 49 - 1 - HG2 PRO 34 - HG2 ARG 84 lone 1 49 - 1 - HB2 ARG 54 - HG2 ARG 26 lone 1 89 - 1 - HB3 LYS 85 - HG3 ARG 17 lone 1 34 - 2 - HB3 LYS 85 - HG2 ARG 17 lone 1 33 - 2 - HB3 LYS 85 - HG3 ARG 70 lone 1 33 - 2 - HB2 LEU 43 - HG3 ARG 70 lone 1 36 - 2 - HG2 PRO 34 - HG3 ARG 17 lone 1 54 - 1 - HG2 PRO 34 - HG2 ARG 17 lone 1 54 - 1 - HB2 LEU 43 - HG2 ARG 27 lone 1 59 - 1 - HB2 LEU 43 - HG3 ARG 27 lone 1 58 - 1 - HB3 LYS 85 - HG2 ARG 26 lone 1 68 - 1 - HB3 ARG 82 - HG3 ARG 70 lone 1 46 - 1 - HB ILE 33 - HG2 ARG 27 lone 1 68 - 1 - HB ILE 33 - HG3 ARG 27 lone 1 67 - 1 - HB2 ARG 54 - HG3 ARG 17 lone 1 47 - 1 - HB2 ARG 54 - HG2 ARG 17 lone 1 47 - 1 - HB3 LYS 73 - HG2 ARG 27 lone 1 48 - 1 - HB3 LYS 73 - HG3 ARG 27 lone 1 47 - 1 - HB2 ARG 54 - HG2 ARG 27 lone 0 74 - 1 - HB2 ARG 54 - HG3 ARG 27 lone 0 73 - 1 - HB2 LEU 57 - HG3 ARG 17 lone 0 46 - 1 - HB2 LEU 57 - HG2 ARG 17 lone 0 46 - 1 - HB3 LYS 85 - HG2 ARG 27 lone 0 55 - 1 - HG2 PRO 34 - HG3 ARG 70 lone 0 53 - 1 - HB3 LYS 85 - HG3 ARG 27 lone 0 54 - 1 - HB ILE 33 - HG3 ARG 17 lone 0 43 - 1 - HB ILE 33 - HG2 ARG 17 lone 0 43 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 0 37 - 1 - HB2 LEU 43 - HG2 ARG 17 lone 0 37 - 1 - HB ILE 33 - HG3 ARG 70 lone 0 42 - 1 - HB2 LEU 57 - HG2 ARG 84 lone 0 41 - 1 - HB2 LEU 57 - HG3 ARG 84 lone 0 41 - 1 - HB ILE 33 - HG2 ARG 84 lone 0 39 - 0 - HB ILE 33 - HG3 ARG 84 lone 0 39 - 0 - Peak 1388 from cnoeabs.peaks (3.17, 1.62, 27.49 ppm; 3.50 A): 10 out of 112 assignments used, quality = 1.00: * HD2 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 88 88 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 88 88 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 87 87 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 87 87 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 84 - HG2 ARG 84 OK 32 32 - 100 - 2.9=100 HD3 ARG 84 - HG3 ARG 84 OK 32 32 - 100 - 2.9=100 HD2 ARG 84 - HG2 ARG 84 OK 29 29 - 100 - 2.9=100 HD2 ARG 84 - HG3 ARG 84 OK 29 29 - 100 - 2.9=100 HD2 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 3.0/1394=3, 5382/5.0=2...(5) HD3 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 3.0/1394=3, 5382/5.0=2...(5) HD2 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 3.0/1394=2, 5382/5.0=2...(5) HD3 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 3.0/1394=2, 5382/5.0=2...(5) HD3 ARG 66 - HG3 ARG 70 OK 23 51 - 46 - ~2703=3, ~2867=3...(29) HD3 ARG 66 - HG2 ARG 26 OK 22 95 - 24 - ~2708=1, ~2700=1 HD2 ARG 66 - HG3 ARG 70 OK 22 48 - 46 - ~2703=3, ~2867=3...(25) HD2 ARG 66 - HG2 ARG 26 OK 22 92 - 24 - ~2708=1, ~2700=1 HD3 ARG 71 - HG2 ARG 26 OK 19 68 - 28 - 3.0/2932=4, ~1394=2...(6) HD2 ARG 27 - HG2 ARG 26 OK 17 100 - 18 - ~1394=1, 6.3/537=1...(4) HD3 ARG 27 - HG2 ARG 26 OK 17 100 - 18 - ~1394=1, 6.3/537=1...(4) HD3 ARG 23 - HG2 ARG 27 OK 15 85 - 18 - 1421/3.8=1 HD2 ARG 23 - HG2 ARG 27 OK 15 85 - 18 - 1421/3.8=1 HD3 ARG 23 - HG3 ARG 27 OK 15 84 - 18 - 1420/3.8=1 HD2 ARG 23 - HG3 ARG 27 OK 15 84 - 18 - 1420/3.8=1 HD2 ARG 26 - HG3 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD3 ARG 26 - HG3 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD2 ARG 26 - HG2 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD3 ARG 26 - HG2 ARG 17 OK 13 59 - 23 - 3.0/1394=2, ~1394=1 HD3 ARG 17 - HG2 ARG 26 OK 12 93 - 13 - ~1394=1 HD2 ARG 17 - HG2 ARG 26 OK 12 93 - 13 - ~1394=1 HD3 ARG 71 - HG3 ARG 17 poor 9 34 - 27 - 3.0/2932=3, ~2932=2, ~2934=1 HD3 ARG 71 - HG2 ARG 17 poor 9 33 - 27 - 3.0/2932=3, ~2932=2, ~2934=1 HD3 ARG 71 - HG2 ARG 27 poor 9 55 - 16 - 3.0/2932=2 HD3 ARG 71 - HG3 ARG 27 poor 8 54 - 16 - 3.0/2932=2 HD3 ARG 66 - HG2 ARG 27 lone 8 80 - 10 - HD3 ARG 17 - HG2 ARG 27 poor 8 79 - 10 - HD2 ARG 17 - HG2 ARG 27 poor 8 79 - 10 - HD3 ARG 66 - HG3 ARG 27 lone 8 79 - 10 - HD3 ARG 17 - HG3 ARG 27 poor 8 78 - 10 - HD2 ARG 17 - HG3 ARG 27 poor 8 78 - 10 - HD2 ARG 66 - HG2 ARG 27 lone 8 77 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 59 - 13 - HD3 ARG 27 - HG3 ARG 17 poor 8 59 - 13 - HD2 ARG 66 - HG3 ARG 27 lone 8 76 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 8 58 - 13 - HD3 ARG 27 - HG2 ARG 17 poor 8 58 - 13 - HD2 ARG 23 - HG3 ARG 17 poor 6 56 - 10 - HD3 ARG 23 - HG3 ARG 17 poor 6 56 - 10 - HD2 ARG 23 - HG2 ARG 17 poor 6 56 - 10 - HD3 ARG 23 - HG2 ARG 17 poor 6 56 - 10 - HD3 ARG 23 - HG2 ARG 26 lone 5 98 - 5 - HD2 ARG 23 - HG2 ARG 26 lone 5 98 - 5 - HD3 ARG 71 - HG3 ARG 70 poor 5 33 - 15 - 3.0/2932=2, 5.8/778=2...(4) HD2 ARG 26 - HG3 ARG 70 lone 5 58 - 8 - HD3 ARG 17 - HG2 ARG 84 poor 5 46 - 10 - HD3 ARG 17 - HG3 ARG 84 poor 5 46 - 10 - HD2 ARG 17 - HG3 ARG 84 poor 5 46 - 10 - HD2 ARG 17 - HG2 ARG 84 poor 5 46 - 10 - HD3 ARG 26 - HG3 ARG 70 lone 4 58 - 8 - HD2 ARG 26 - HG3 ARG 84 lone 4 55 - 7 - HD2 ARG 26 - HG2 ARG 84 lone 4 55 - 7 - HD3 ARG 26 - HG3 ARG 84 lone 4 54 - 7 - HD3 ARG 26 - HG2 ARG 84 lone 4 54 - 7 - HD3 ARG 84 - HG3 ARG 17 poor 4 35 - 10 - HD3 ARG 84 - HG2 ARG 17 poor 4 35 - 10 - HD3 ARG 71 - HG2 ARG 84 poor 3 30 - 11 - HD3 ARG 71 - HG3 ARG 84 poor 3 30 - 11 - HD2 ARG 84 - HG3 ARG 17 poor 3 32 - 10 - HD2 ARG 84 - HG2 ARG 17 poor 3 32 - 10 - HD3 ARG 84 - HG2 ARG 26 lone 3 71 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 52 - 5 - HD3 ARG 66 - HG2 ARG 17 lone 3 52 - 5 - HD2 ARG 84 - HG2 ARG 26 lone 3 65 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 3 50 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 3 50 - 5 - HD3 ARG 17 - HG3 ARG 70 lone 2 50 - 4 - HD2 ARG 17 - HG3 ARG 70 lone 2 50 - 4 - HD2 ARG 27 - HG3 ARG 70 lone 2 57 - 3 - HD3 ARG 27 - HG3 ARG 70 lone 2 57 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 2 51 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 2 51 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 2 51 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 2 51 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 53 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 53 - 3 - HD3 ARG 27 - HG3 ARG 84 lone 2 53 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 53 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 1 34 - 4 - HD3 ARG 84 - HG2 ARG 27 lone 1 57 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 56 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 31 - 4 - HD2 ARG 84 - HG2 ARG 27 lone 1 53 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 52 - 2 - HD3 ARG 66 - HG3 ARG 84 lone 1 47 - 2 - HD3 ARG 66 - HG2 ARG 84 lone 1 47 - 2 - HD2 ARG 66 - HG2 ARG 84 lone 1 45 - 2 - HD2 ARG 66 - HG3 ARG 84 lone 1 45 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 55 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 55 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 1 68 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 55 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 54 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 0 34 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 0 33 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 0 30 - 2 - HD2 ARG 82 - HG2 ARG 84 lone 0 30 - 2 - HD2 ARG 82 - HG3 ARG 70 lone 0 33 - 1 - Peak 1389 from cnoeabs.peaks (3.17, 1.62, 27.49 ppm; 3.50 A): 10 out of 120 assignments used, quality = 1.00: * HD3 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 87 87 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 87 87 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 86 86 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 86 86 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 50 50 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 50 50 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 50 50 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 50 50 - 100 - 3.0=100 HD3 ARG 84 - HG2 ARG 84 OK 30 30 - 100 - 2.9=100 HD3 ARG 84 - HG3 ARG 84 OK 30 30 - 100 - 2.9=100 HD3 ARG 70 - HG3 ARG 70 OK 28 28 - 100 - 3.0=100 HD2 ARG 84 - HG2 ARG 84 OK 28 28 - 100 - 2.9=100 HD2 ARG 84 - HG3 ARG 84 OK 28 28 - 100 - 2.9=100 HD2 ARG 26 - HG2 ARG 27 OK 24 89 - 28 - 3.0/1394=3, 5382/5.0=2...(5) HD3 ARG 26 - HG2 ARG 27 OK 24 89 - 27 - 3.0/1394=3, 5382/5.0=2...(5) HD2 ARG 26 - HG3 ARG 27 OK 24 88 - 28 - 3.0/1394=2, 5382/5.0=2...(5) HD3 ARG 66 - HG3 ARG 70 OK 24 52 - 46 - ~2703=3, ~2867=3...(29) HD3 ARG 26 - HG3 ARG 27 OK 24 88 - 27 - 3.0/1394=2, 5382/5.0=2...(5) HD2 ARG 66 - HG3 ARG 70 OK 23 50 - 46 - ~2703=3, ~2867=3...(25) HD3 ARG 66 - HG2 ARG 26 OK 23 96 - 24 - ~2708=1, ~2700=1 HD2 ARG 66 - HG2 ARG 26 OK 22 93 - 24 - ~2708=1, ~2700=1 HD3 ARG 71 - HG2 ARG 26 OK 20 71 - 29 - 3.0/2932=4, ~1394=2...(6) HD2 ARG 27 - HG2 ARG 26 OK 17 99 - 18 - ~1394=1, 6.3/537=1...(4) HD3 ARG 27 - HG2 ARG 26 OK 17 99 - 18 - ~1394=1, 6.3/537=1...(4) HD3 ARG 23 - HG2 ARG 27 OK 15 84 - 18 - 1421/3.8=1 HD2 ARG 23 - HG2 ARG 27 OK 15 84 - 18 - 1421/3.8=1 HD2 ARG 23 - HG3 ARG 27 OK 15 83 - 18 - 1421/3.8=1 HD3 ARG 23 - HG3 ARG 27 OK 15 83 - 18 - 1421/3.8=1 HD3 ARG 26 - HG3 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD2 ARG 26 - HG3 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD3 ARG 26 - HG2 ARG 17 OK 13 60 - 23 - 3.0/1394=2, ~1394=1 HD2 ARG 26 - HG2 ARG 17 OK 13 59 - 23 - 3.0/1394=2, ~1394=1 HD3 ARG 17 - HG2 ARG 26 OK 12 92 - 13 - ~1394=1 HD2 ARG 17 - HG2 ARG 26 OK 12 92 - 13 - ~1394=1 HD3 ARG 71 - HG3 ARG 17 poor 9 35 - 27 - 3.0/2932=3, ~2932=2, ~2934=1 HD3 ARG 71 - HG2 ARG 17 poor 9 35 - 27 - 3.0/2932=3, ~2932=2, ~2934=1 HD3 ARG 71 - HG2 ARG 27 poor 9 57 - 16 - 3.0/2932=2 HD3 ARG 71 - HG3 ARG 27 poor 9 56 - 16 - 3.0/2932=2 HD3 ARG 66 - HG2 ARG 27 lone 8 82 - 10 - HD3 ARG 66 - HG3 ARG 27 poor 8 81 - 10 - HD2 ARG 66 - HG2 ARG 27 lone 8 79 - 10 - HD3 ARG 17 - HG2 ARG 27 poor 8 77 - 10 - HD2 ARG 17 - HG2 ARG 27 poor 8 77 - 10 - HD2 ARG 66 - HG3 ARG 27 poor 8 78 - 10 - HD3 ARG 17 - HG3 ARG 27 poor 8 76 - 10 - HD2 ARG 17 - HG3 ARG 27 poor 8 76 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 58 - 13 - HD3 ARG 27 - HG3 ARG 17 poor 8 58 - 13 - HD3 ARG 27 - HG2 ARG 17 poor 8 58 - 13 - HD2 ARG 27 - HG2 ARG 17 poor 8 58 - 13 - HD2 ARG 23 - HG3 ARG 17 poor 6 55 - 10 - HD3 ARG 23 - HG3 ARG 17 poor 6 55 - 10 - HD2 ARG 23 - HG2 ARG 17 poor 6 55 - 10 - HD3 ARG 23 - HG2 ARG 17 poor 6 55 - 10 - HD3 ARG 23 - HG2 ARG 26 lone 5 97 - 5 - HD2 ARG 23 - HG2 ARG 26 lone 5 97 - 5 - HD3 ARG 71 - HG3 ARG 70 poor 5 34 - 15 - 3.0/2932=2, 5.8/778=2...(4) HD3 ARG 70 - HG2 ARG 26 lone 5 60 - 8 - 3.0/2869=1 HD2 ARG 26 - HG3 ARG 70 lone 5 58 - 8 - HD3 ARG 26 - HG3 ARG 70 lone 5 58 - 8 - HD2 ARG 17 - HG2 ARG 84 poor 5 45 - 10 - HD3 ARG 17 - HG2 ARG 84 poor 5 45 - 10 - HD3 ARG 17 - HG3 ARG 84 poor 5 45 - 10 - HD2 ARG 17 - HG3 ARG 84 poor 5 45 - 10 - HD3 ARG 26 - HG2 ARG 84 lone 4 55 - 7 - HD3 ARG 26 - HG3 ARG 84 lone 4 55 - 7 - HD2 ARG 26 - HG2 ARG 84 lone 4 54 - 7 - HD2 ARG 26 - HG3 ARG 84 lone 4 54 - 7 - HD3 ARG 71 - HG2 ARG 84 poor 3 32 - 11 - HD3 ARG 71 - HG3 ARG 84 poor 3 32 - 11 - HD3 ARG 84 - HG3 ARG 17 poor 3 34 - 10 - HD3 ARG 84 - HG2 ARG 17 poor 3 33 - 10 - HD2 ARG 84 - HG3 ARG 17 poor 3 31 - 10 - HD2 ARG 84 - HG2 ARG 17 poor 3 30 - 10 - HD3 ARG 66 - HG3 ARG 17 lone 3 53 - 5 - HD3 ARG 66 - HG2 ARG 17 lone 3 53 - 5 - HD3 ARG 84 - HG2 ARG 26 lone 3 68 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 3 51 - 5 - HD2 ARG 66 - HG2 ARG 17 lone 3 51 - 5 - HD2 ARG 84 - HG2 ARG 26 lone 3 63 - 4 - HD3 ARG 70 - HG2 ARG 27 lone 2 48 - 4 - HD3 ARG 70 - HG3 ARG 17 lone 2 29 - 7 - HD3 ARG 70 - HG2 ARG 17 lone 2 29 - 7 - HD3 ARG 70 - HG3 ARG 27 lone 2 47 - 4 - HD3 ARG 70 - HG3 ARG 84 lone 2 26 - 8 - HD3 ARG 70 - HG2 ARG 84 lone 2 26 - 8 - HD2 ARG 17 - HG3 ARG 70 lone 2 48 - 4 - HD3 ARG 17 - HG3 ARG 70 lone 2 48 - 4 - HD3 ARG 27 - HG3 ARG 70 lone 2 57 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 2 57 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 53 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 53 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 53 - 3 - HD3 ARG 27 - HG3 ARG 84 lone 2 53 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 2 50 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 2 50 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 2 50 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 2 50 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 1 33 - 4 - HD3 ARG 84 - HG2 ARG 27 lone 1 55 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 54 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 30 - 4 - HD2 ARG 84 - HG2 ARG 27 lone 1 50 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 49 - 2 - HD3 ARG 66 - HG3 ARG 84 lone 1 48 - 2 - HD3 ARG 66 - HG2 ARG 84 lone 1 48 - 2 - HD2 ARG 66 - HG2 ARG 84 lone 1 46 - 2 - HD2 ARG 66 - HG3 ARG 84 lone 1 46 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 54 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 54 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 1 65 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 53 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 52 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 0 32 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 0 32 - 1 - HD2 ARG 82 - HG3 ARG 84 lone 0 29 - 1 - HD2 ARG 82 - HG2 ARG 84 lone 0 29 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 0 31 - 1 - Peak 1390 from cnoeabs.peaks (8.13, 1.75, 27.49 ppm; 4.18 A): 2 out of 7 assignments used, quality = 0.89: * H ARG 26 + HG3 ARG 26 OK 84 100 - 84 - 4.9=61, 527/3.0=11...(19) H ARG 71 + HG3 ARG 26 OK 32 71 - 46 - 2.9/1391=8, 779=7...(16) H THR 88 - HG3 ARG 26 lone 7 100 - 7 - H ASN 74 - HG3 ARG 26 lone 4 81 - 5 - H LEU 57 - HG3 ARG 26 lone 3 83 - 4 - H LYS 85 - HG3 ARG 26 lone 2 68 - 3 - H ALA 78 - HG3 ARG 26 lone 2 89 - 2 - Peak 1391 from cnoeabs.peaks (4.07, 1.75, 27.49 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.7=100 HA ARG 71 + HG3 ARG 26 OK 53 99 - 54 - 2.9/1390=7, 3.8/1394=5...(20) HA GLU 25 - HG3 ARG 26 OK 37 83 - 44 - 3.6/1390=16, 3.0/5926=8...(11) HA ALA 63 - HG3 ARG 26 OK 18 99 - 18 - 5369/3.0=3, 5369/3.0=3...(6) HA VAL 90 - HG3 ARG 26 lone 4 99 - 3 - HA GLU 59 - HG3 ARG 26 lone 3 73 - 4 - Peak 1392 from cnoeabs.peaks (1.88, 1.75, 27.49 ppm; 3.09 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 71 - HG3 ARG 26 OK 29 68 - 42 - 3.0/1391=4, 2.8/1394=4...(8) HB2 ARG 71 - HG3 ARG 26 OK 27 65 - 42 - 3.0/1391=4, 2.8/1394=4...(8) HB2 ARG 66 - HG3 ARG 26 OK 22 100 - 23 - 1379=1, 3.4/1396=1, 3.4/1397=1 HB3 ARG 27 - HG3 ARG 26 OK 21 68 - 31 - 4.1/65=3, 2.9/1394=2...(8) HB2 ARG 27 - HG3 ARG 26 OK 20 65 - 30 - 4.1/65=3, 2.9/1394=2...(7) HB3 PRO 34 - HG3 ARG 26 OK 12 99 - 12 - HB3 PRO 14 - HG3 ARG 26 lone 4 99 - 4 - HB2 GLN 91 - HG3 ARG 26 lone 3 89 - 3 - HB ILE 68 - HG3 ARG 26 lone 3 89 - 3 - HB2 MET 11 - HG3 ARG 26 lone 2 100 - 2 - HB3 GLU 87 - HG3 ARG 26 lone 2 63 - 2 - HG12 ILE 40 - HG3 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HG3 ARG 26 lone 1 71 - 1 - Peak 1393 from cnoeabs.peaks (1.88, 1.75, 27.49 ppm; 3.09 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HB2 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 71 - HG3 ARG 26 OK 28 65 - 42 - 3.0/1391=4, 2.8/1394=4...(8) HB2 ARG 71 - HG3 ARG 26 OK 26 63 - 42 - 3.0/1391=4, 2.8/1394=4...(8) HB2 ARG 66 - HG3 ARG 26 OK 22 100 - 23 - 1379=1, 3.4/1396=1, 3.4/1397=1 HB3 ARG 27 - HG3 ARG 26 OK 20 65 - 31 - 4.1/65=3, 2.9/1394=2...(8) HB2 ARG 27 - HG3 ARG 26 OK 19 63 - 30 - 4.1/65=3, 2.9/1394=2...(7) HB3 PRO 34 - HG3 ARG 26 OK 12 99 - 12 - HB3 PRO 14 - HG3 ARG 26 lone 4 99 - 4 - HB2 GLN 91 - HG3 ARG 26 lone 3 90 - 3 - HB ILE 68 - HG3 ARG 26 lone 3 90 - 3 - HB3 GLU 87 - HG3 ARG 26 lone 2 65 - 2 - HB2 MET 11 - HG3 ARG 26 lone 2 100 - 2 - HB2 GLU 19 - HG3 ARG 26 lone 2 60 - 2 - HG12 ILE 40 - HG3 ARG 26 lone 1 73 - 1 - HB2 LYS 39 - HG3 ARG 26 lone 1 68 - 1 - Peak 1394 from cnoeabs.peaks (1.62, 1.75, 27.49 ppm; 2.67 A): 1 out of 16 assignments used, quality = 1.00: * HG2 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 1.8=100 HG2 ARG 71 - HG3 ARG 26 OK 30 100 - 30 - 3.8/1391=2, 2925=2...(7) HG2 ARG 27 - HG3 ARG 26 OK 16 97 - 16 - 5.0/65=2, 1387=1...(4) HG3 ARG 27 - HG3 ARG 26 OK 15 97 - 16 - 5.0/65=2, 1387=1...(4) HG3 ARG 17 - HG3 ARG 26 OK 13 100 - 13 - 4.0/1149=1 HG2 ARG 17 - HG3 ARG 26 OK 13 100 - 13 - 4.0/1149=1 HG3 ARG 70 - HG3 ARG 26 lone 5 98 - 5 - 5.0/1390=2 HD3 LYS 32 - HG3 ARG 26 lone 3 98 - 3 - HD2 LYS 32 - HG3 ARG 26 lone 3 97 - 3 - HB2 LEU 86 - HG3 ARG 26 lone 3 99 - 3 - HG2 ARG 84 - HG3 ARG 26 lone 2 63 - 4 - HG3 ARG 84 - HG3 ARG 26 lone 2 63 - 4 - HG LEU 86 - HG3 ARG 26 lone 2 76 - 3 - HD2 LYS 73 - HG3 ARG 26 lone 2 97 - 2 - HD3 LYS 73 - HG3 ARG 26 lone 2 97 - 2 - HB3 LEU 51 - HG3 ARG 26 lone 1 78 - 1 - Peak 1395 from cnoeabs.peaks (1.75, 1.75, 27.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 26 + HG3 ARG 26 OK 100 100 - 100 Peak 1396 from cnoeabs.peaks (3.17, 1.75, 27.49 ppm; 3.80 A): 2 out of 14 assignments used, quality = 1.00: * HD2 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 66 - HG3 ARG 26 OK 28 95 - 30 - 3.4/1393=2, ~2708=2...(4) HD2 ARG 66 - HG3 ARG 26 OK 28 92 - 30 - 3.4/1393=2, ~2708=2...(4) HD3 ARG 71 - HG3 ARG 26 OK 26 68 - 38 - 3.0/1394=5, 4.7/1391=4...(11) HD3 ARG 27 - HG3 ARG 26 OK 23 100 - 24 - 3.0/1394=3, 3.0/1394=3...(6) HD2 ARG 27 - HG3 ARG 26 OK 23 100 - 24 - 3.0/1394=3, 3.0/1394=3...(6) HD3 ARG 17 - HG3 ARG 26 OK 17 93 - 18 - 3.0/1394=2, 3.0/1394=2...(5) HD2 ARG 17 - HG3 ARG 26 OK 17 93 - 18 - 3.0/1394=2, 3.0/1394=2...(5) HD3 ARG 23 - HG3 ARG 26 lone 6 98 - 6 - HD2 ARG 23 - HG3 ARG 26 lone 6 98 - 6 - HD3 ARG 84 - HG3 ARG 26 lone 4 71 - 5 - HD2 ARG 84 - HG3 ARG 26 lone 3 65 - 5 - HD2 ARG 82 - HG3 ARG 26 lone 1 68 - 1 - Peak 1397 from cnoeabs.peaks (3.17, 1.75, 27.49 ppm; 3.80 A): 2 out of 15 assignments used, quality = 1.00: * HD3 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG3 ARG 26 OK 100 100 - 100 - 3.0=100 HD3 ARG 66 - HG3 ARG 26 OK 29 96 - 30 - 3.4/1393=2, ~2708=2...(4) HD2 ARG 66 - HG3 ARG 26 OK 28 93 - 30 - 3.4/1393=2, ~2708=2...(4) HD3 ARG 71 - HG3 ARG 26 OK 27 71 - 38 - 3.0/1394=5, 4.7/1391=4...(11) HD3 ARG 27 - HG3 ARG 26 OK 23 99 - 24 - 3.0/1394=3, 3.0/1394=3...(6) HD2 ARG 27 - HG3 ARG 26 OK 23 99 - 24 - 3.0/1394=3, 3.0/1394=3...(6) HD3 ARG 17 - HG3 ARG 26 OK 16 92 - 18 - 3.0/1394=2, 3.0/1394=2...(5) HD2 ARG 17 - HG3 ARG 26 OK 16 92 - 18 - 3.0/1394=2, 3.0/1394=2...(5) HD3 ARG 23 - HG3 ARG 26 lone 6 97 - 6 - HD2 ARG 23 - HG3 ARG 26 lone 6 97 - 6 - HD3 ARG 70 - HG3 ARG 26 lone 5 60 - 9 - HD3 ARG 84 - HG3 ARG 26 lone 4 68 - 5 - HD2 ARG 84 - HG3 ARG 26 lone 3 63 - 5 - HD2 ARG 82 - HG3 ARG 26 lone 1 65 - 1 - Peak 1399 from cnoeabs.peaks (4.07, 3.17, 43.10 ppm; 4.80 A): 5 out of 84 assignments used, quality = 1.00: * HA ARG 26 + HD2 ARG 26 OK 100 100 - 100 - 4.8=100 HA ARG 26 + HD3 ARG 26 OK 100 100 - 100 - 4.8=100 HA ARG 71 + HD3 ARG 71 OK 66 66 - 100 - 4.7=100 HA ARG 71 + HD3 ARG 26 OK 64 99 - 65 - 1391/3.0=10, ~1390=5...(25) HA ARG 71 + HD2 ARG 26 OK 64 99 - 65 - 1391/3.0=10, ~1390=5...(25) HA ARG 26 - HD3 ARG 27 OK 36 100 - 36 - 3.6/5382=6, 3.0/532=3...(12) HA ARG 26 - HD2 ARG 27 OK 36 100 - 36 - 3.6/5382=6, 3.0/532=3...(12) HA ALA 63 - HD3 ARG 66 OK 35 52 - 67 - 4691/6.2=17, 5370/3.0=14...(9) HA ARG 26 - HD3 ARG 71 OK 35 68 - 51 - 2929/3.0=10, 2921/3.0=6...(19) HA ALA 63 - HD2 ARG 66 OK 33 50 - 67 - 4691/6.2=17, 5370/3.0=14...(9) HA ARG 71 - HD3 ARG 66 OK 31 52 - 60 - 5167/3.0=7, 5395/3.0=5...(22) HA ARG 71 - HD2 ARG 17 OK 30 91 - 34 - 2902/1.8=3, 3.8/2934=2...(10) HA ARG 71 - HD3 ARG 17 OK 30 91 - 34 - 2902/1.8=3, 3.8/2934=2...(10) HA ARG 71 - HD2 ARG 66 OK 30 50 - 60 - 5167/3.0=7, 5395/3.0=5...(22) HA ARG 71 - HD2 ARG 27 OK 29 98 - 30 - 61/6.3=3, 1383/3.0=2...(8) HA ARG 71 - HD3 ARG 27 OK 29 98 - 30 - 61/6.3=3, 1383/3.0=2...(8) HA GLU 25 - HD2 ARG 26 OK 29 83 - 35 - 1391/3.0=7, 526/6.1=7...(13) HA GLU 25 - HD3 ARG 26 OK 29 83 - 35 - 1391/3.0=7, 526/6.1=7...(13) HA ARG 26 - HD3 ARG 66 OK 25 54 - 46 - 5167/3.0=5, 5395/3.0=5...(16) HA ALA 63 - HD3 ARG 26 OK 24 99 - 24 - 4686=5, 4686/1.8=4...(7) HA ALA 63 - HD2 ARG 26 OK 24 99 - 24 - 4686=5, 4686/1.8=4...(7) HA ARG 26 - HD2 ARG 66 OK 24 52 - 46 - 5167/3.0=5, 5395/3.0=5...(16) HA ARG 71 - HD3 ARG 23 OK 19 96 - 20 - 2902/1.8=1 HA ARG 71 - HD2 ARG 23 OK 19 96 - 20 - 2902/1.8=1 HA ARG 26 - HD2 ARG 17 OK 18 93 - 20 - 3.6/5382=2, 3.7/1396=2...(4) HA ARG 26 - HD3 ARG 17 OK 18 93 - 20 - 3.6/5382=2, 3.7/1396=2...(4) HA ALA 63 - HD3 ARG 71 OK 15 66 - 23 - 2929/3.0=4, 5369/3.5=3...(7) HA GLU 25 - HD2 ARG 27 OK 13 81 - 17 - 61/6.3=4, 3.6/532=3...(6) HA GLU 25 - HD3 ARG 27 OK 13 81 - 17 - 61/6.3=4, 3.6/532=3...(6) HA ARG 71 - HD3 ARG 84 OK 12 68 - 17 - 2902/1.8=2, 5394/2.9=1 HA ARG 71 - HD2 ARG 84 OK 11 63 - 17 - 2902/1.8=2, 5394/2.9=1...(4) HA VAL 90 - HD3 ARG 66 OK 11 52 - 21 - 3641/3.0=3, 5165/3.0=2...(8) HA ARG 26 - HD3 ARG 23 OK 11 98 - 11 - 3.6/5382=2 HA ARG 26 - HD2 ARG 23 OK 11 98 - 11 - 3.6/5382=2 HA VAL 90 - HD2 ARG 66 OK 10 50 - 21 - 3641/3.0=3, 5165/3.0=2...(8) HA ALA 63 - HD3 ARG 27 lone 9 98 - 9 - 4686=2, 4686/1.8=1, 5369/3.5=1 HA ALA 63 - HD2 ARG 27 lone 9 98 - 9 - 4686=2, 4686/1.8=1, 5369/3.5=1 HA ALA 63 - HD2 ARG 17 lone 9 91 - 10 - 5783/5.6=3, 4686=2, 4686/1.8=2 HA ALA 63 - HD3 ARG 17 lone 9 91 - 10 - 5783/5.6=3, 4686=2, 4686/1.8=2 HA GLU 25 - HD3 ARG 71 poor 8 50 - 15 - 2929/3.0=4, 3.6/532=2...(5) HA ARG 26 - HD3 ARG 84 lone 7 71 - 9 - HA ARG 26 - HD2 ARG 84 lone 6 65 - 9 - HA ALA 63 - HD2 ARG 23 lone 6 96 - 6 - 4686=1 HA ALA 63 - HD3 ARG 23 lone 6 96 - 6 - 4686=1 HA VAL 90 - HD2 ARG 26 lone 6 99 - 5 - HA VAL 90 - HD3 ARG 26 lone 5 99 - 5 - HA GLU 25 - HD3 ARG 17 lone 4 72 - 5 - 3.6/532=1 HA GLU 25 - HD2 ARG 17 lone 4 72 - 5 - 3.6/532=1 HA GLU 25 - HD3 ARG 66 lone 3 39 - 9 - 3.6/532=2 HA ALA 63 - HD3 ARG 84 lone 3 68 - 5 - HA GLU 25 - HD2 ARG 66 lone 3 37 - 9 - 3.6/532=2 HA ALA 63 - HD2 ARG 84 lone 3 63 - 5 - HA GLU 25 - HD3 ARG 23 lone 3 78 - 4 - HA GLU 25 - HD2 ARG 23 lone 3 78 - 4 - HA GLU 59 - HD2 ARG 26 lone 3 73 - 4 - HA GLU 59 - HD3 ARG 26 lone 3 73 - 4 - HA VAL 90 - HD2 ARG 27 lone 3 98 - 3 - HA VAL 90 - HD3 ARG 27 lone 3 98 - 3 - HA VAL 90 - HD3 ARG 71 lone 2 66 - 4 - HA ARG 71 - HD2 ARG 82 lone 2 62 - 3 - HA GLU 25 - HD3 ARG 84 lone 2 52 - 4 - HA VAL 90 - HD2 ARG 17 lone 2 91 - 2 - HA VAL 90 - HD3 ARG 17 lone 2 91 - 2 - HA VAL 90 - HD2 ARG 23 lone 2 96 - 2 - HA VAL 90 - HD3 ARG 23 lone 2 96 - 2 - HA GLU 25 - HD2 ARG 84 lone 2 47 - 4 - HA VAL 90 - HD3 ARG 84 lone 2 68 - 2 - HA ARG 26 - HD2 ARG 82 lone 2 64 - 2 - HA VAL 90 - HD2 ARG 84 lone 2 63 - 2 - HA ALA 63 - HD2 ARG 82 lone 2 62 - 2 - HA GLU 59 - HD3 ARG 27 lone 1 72 - 2 - HA GLU 59 - HD2 ARG 27 lone 1 72 - 2 - HA GLU 59 - HD3 ARG 17 lone 1 63 - 2 - HA GLU 59 - HD2 ARG 17 lone 1 63 - 2 - HA GLU 59 - HD3 ARG 84 lone 1 45 - 3 - HA VAL 90 - HD2 ARG 82 lone 1 62 - 2 - HA GLU 59 - HD3 ARG 23 lone 1 69 - 2 - HA GLU 59 - HD2 ARG 23 lone 1 69 - 2 - HA GLU 59 - HD3 ARG 71 lone 1 43 - 3 - HA GLU 59 - HD2 ARG 84 lone 1 41 - 3 - HA GLU 59 - HD3 ARG 66 lone 1 33 - 3 - HA GLU 59 - HD2 ARG 66 lone 1 31 - 3 - HA GLU 25 - HD2 ARG 82 lone 1 46 - 2 - HA GLU 59 - HD2 ARG 82 lone 1 40 - 2 - Peak 1400 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 8 out of 210 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) * HB2 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 27 + HD3 ARG 27 OK 50 67 - 75 - 3.5=59, 3.0/1421=2...(16) HB3 ARG 27 + HD2 ARG 27 OK 50 67 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 27 + HD3 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 27 + HD2 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 66 - HD3 ARG 66 OK 39 54 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB2 ARG 66 - HD2 ARG 66 OK 37 51 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB3 ARG 71 - HD3 ARG 71 OK 28 39 - 71 - 3.5=59, ~2902=2...(13) HB2 ARG 71 - HD3 ARG 71 OK 26 37 - 71 - 3.5=59, ~2902=2, ~2937=2...(13) HB3 ARG 71 - HD2 ARG 26 OK 24 68 - 35 - 1392/3.0=2, ~1391=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 24 68 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 71 - HD2 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 66 - HD2 ARG 26 OK 23 100 - 23 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD3 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 66 - HD3 ARG 26 OK 22 100 - 22 - 1393/3.0=1, 2.8/2713=1 HB3 ARG 26 - HD2 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD2 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD3 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 27 - HD2 ARG 26 OK 17 68 - 25 - 4.1/5382=1, 1392/3.0=1 HB3 ARG 27 - HD3 ARG 26 OK 17 68 - 25 - 4.1/5382=1, 1392/3.0=1 HB3 ARG 26 - HD3 ARG 71 OK 17 68 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 26 - HD3 ARG 71 OK 17 68 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 26 - HD3 ARG 66 OK 16 54 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 16 54 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 27 - HD3 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 26 - HD2 ARG 66 OK 16 52 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 15 52 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 27 - HD2 ARG 23 OK 13 64 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 27 - HD3 ARG 23 OK 13 64 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD2 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD3 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 26 - HD3 ARG 17 OK 11 93 - 11 - HB3 ARG 26 - HD2 ARG 17 OK 11 93 - 11 - HB2 ARG 26 - HD3 ARG 17 OK 11 93 - 11 - HB2 ARG 26 - HD2 ARG 17 OK 11 93 - 11 - HB3 ARG 71 - HD2 ARG 17 OK 10 59 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 OK 10 59 - 18 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 OK 10 56 - 18 - ~2934=1 HB2 ARG 71 - HD2 ARG 17 OK 10 56 - 18 - ~2934=1 HB3 ARG 71 - HD2 ARG 27 poor 9 67 - 13 - HB3 ARG 71 - HD3 ARG 27 poor 9 67 - 13 - HB2 ARG 71 - HD3 ARG 27 poor 8 64 - 13 - HB2 ARG 71 - HD2 ARG 27 poor 8 64 - 13 - HB3 PRO 34 - HD3 ARG 26 lone 8 99 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 8 99 - 8 - HB3 ARG 71 - HD3 ARG 66 poor 8 30 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 ARG 71 - HD2 ARG 66 poor 7 29 - 26 - 2708/3.0=1, ~5167=1...(6) HB2 ARG 71 - HD3 ARG 66 poor 7 29 - 26 - 2708/3.0=1, ~5167=1...(6) HB2 ARG 71 - HD2 ARG 66 poor 7 27 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 PRO 14 - HD3 ARG 66 poor 7 52 - 13 - 2708/3.0=1 HB3 ARG 71 - HD3 ARG 23 poor 7 64 - 11 - HB3 ARG 71 - HD2 ARG 23 poor 7 64 - 11 - HB2 ARG 66 - HD2 ARG 27 lone 7 99 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 7 99 - 6 - HB3 PRO 14 - HD2 ARG 66 poor 7 50 - 13 - 2708/3.0=1 HB2 ARG 71 - HD3 ARG 23 poor 7 61 - 11 - HB2 ARG 71 - HD2 ARG 23 poor 7 61 - 11 - HB2 ARG 66 - HD3 ARG 23 lone 6 98 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 6 98 - 6 - HB3 ARG 26 - HD2 ARG 23 lone 6 98 - 6 - HB3 ARG 26 - HD3 ARG 23 lone 6 98 - 6 - HB2 ARG 26 - HD3 ARG 23 lone 6 98 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 6 98 - 6 - HB2 ARG 66 - HD3 ARG 71 lone 6 67 - 8 - HB2 MET 11 - HD3 ARG 66 poor 5 53 - 10 - 965/3.0=2 HB3 ARG 27 - HD3 ARG 17 lone 5 59 - 9 - HB3 ARG 27 - HD2 ARG 17 lone 5 59 - 9 - HB2 MET 11 - HD2 ARG 66 poor 5 51 - 10 - 965/3.0=2 HB2 ARG 27 - HD3 ARG 17 lone 5 56 - 9 - HB2 ARG 27 - HD2 ARG 17 lone 5 56 - 9 - HB ILE 68 - HD3 ARG 66 poor 5 43 - 12 - ~5251=1 HB ILE 68 - HD2 ARG 66 poor 5 41 - 12 - ~5251=1 HB3 ARG 27 - HD3 ARG 71 poor 4 39 - 11 - HB3 PRO 34 - HD3 ARG 71 lone 4 66 - 6 - HB2 ARG 27 - HD3 ARG 71 poor 4 37 - 11 - HB ILE 68 - HD3 ARG 71 lone 4 54 - 7 - ~5985=5 HB2 LYS 39 - HD3 ARG 23 lone 3 67 - 5 - HB2 LYS 39 - HD2 ARG 23 lone 3 67 - 5 - HB3 ARG 71 - HD3 ARG 84 lone 3 41 - 8 - HB2 ARG 71 - HD3 ARG 84 lone 3 39 - 8 - HB2 ARG 66 - HD2 ARG 17 lone 3 93 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 3 93 - 3 - HB3 PRO 14 - HD2 ARG 26 lone 3 99 - 3 - HB3 PRO 14 - HD3 ARG 26 lone 3 99 - 3 - HB3 ARG 71 - HD2 ARG 84 lone 3 37 - 8 - HB3 ARG 26 - HD3 ARG 84 lone 3 71 - 4 - HB2 ARG 26 - HD3 ARG 84 lone 3 71 - 4 - HB2 ARG 71 - HD2 ARG 84 lone 3 36 - 8 - HB3 ARG 26 - HD2 ARG 84 lone 3 65 - 4 - HB2 ARG 26 - HD2 ARG 84 lone 3 65 - 4 - HB ILE 68 - HD2 ARG 23 lone 3 84 - 3 - HB ILE 68 - HD3 ARG 23 lone 3 84 - 3 - HB3 ARG 27 - HD3 ARG 66 lone 2 30 - 8 - HB3 ARG 27 - HD2 ARG 66 lone 2 29 - 8 - HB2 ARG 27 - HD3 ARG 66 lone 2 29 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 2 27 - 8 - HB2 GLN 91 - HD2 ARG 26 lone 2 89 - 2 - HB2 GLN 91 - HD3 ARG 26 lone 2 89 - 2 - HB ILE 68 - HD2 ARG 26 lone 2 89 - 2 - HB ILE 68 - HD3 ARG 26 lone 2 89 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 99 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 99 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 100 - 1 - HB2 MET 11 - HD3 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 84 lone 1 43 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 1 39 - 3 - HB3 PRO 34 - HD3 ARG 66 lone 1 53 - 2 - HB3 PRO 34 - HD2 ARG 66 lone 1 50 - 2 - HB3 PRO 34 - HD3 ARG 23 lone 1 97 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 97 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 63 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 69 - 1 - HB3 GLU 87 - HD2 ARG 26 lone 1 63 - 1 - HB3 GLU 87 - HD3 ARG 26 lone 1 63 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 92 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 92 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 64 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 71 - 1 - HB ILE 68 - HD2 ARG 27 lone 1 87 - 1 - HB ILE 68 - HD3 ARG 27 lone 1 87 - 1 - HB3 ARG 27 - HD3 ARG 84 lone 1 41 - 2 - HB3 PRO 14 - HD2 ARG 23 lone 1 96 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 1 96 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 39 - 2 - HG12 ILE 40 - HD3 ARG 66 lone 1 32 - 2 - HG12 ILE 40 - HD2 ARG 26 lone 1 71 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 1 71 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 1 87 - 1 - HB2 GLN 91 - HD2 ARG 27 lone 1 87 - 1 - HB3 ARG 27 - HD2 ARG 84 lone 1 37 - 2 - HG12 ILE 40 - HD2 ARG 66 lone 1 30 - 2 - HB2 GLN 91 - HD3 ARG 23 lone 1 84 - 1 - HB2 GLN 91 - HD2 ARG 23 lone 1 84 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 1 61 - 1 - HB2 LYS 39 - HD2 ARG 17 lone 1 61 - 1 - HB2 LYS 39 - HD2 ARG 82 lone 1 38 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 36 - 2 - HB2 LYS 39 - HD2 ARG 27 lone 1 70 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 70 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 1 98 - 1 - HB3 PRO 14 - HD3 ARG 27 lone 1 98 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 1 70 - 1 - HB ILE 68 - HD2 ARG 82 lone 0 51 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 65 - 1 - HB ILE 68 - HD2 ARG 17 lone 0 78 - 1 - HB ILE 68 - HD3 ARG 17 lone 0 78 - 1 - HB2 MET 11 - HD3 ARG 27 lone 0 99 - 0 - HB2 MET 11 - HD2 ARG 27 lone 0 99 - 0 - HB2 ARG 26 - HD2 ARG 82 lone 0 64 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 64 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 32 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 30 - 1 - HB2 MET 11 - HD2 ARG 23 lone 0 97 - 0 - HB2 MET 11 - HD3 ARG 23 lone 0 97 - 0 - HB2 ARG 66 - HD2 ARG 82 lone 0 63 - 1 - HB3 PRO 14 - HD2 ARG 17 lone 0 91 - 0 - HB3 PRO 14 - HD3 ARG 17 lone 0 91 - 0 - HB2 LYS 39 - HD3 ARG 71 lone 0 41 - 1 - HB3 GLU 87 - HD2 ARG 27 lone 0 62 - 1 - HB3 GLU 87 - HD3 ARG 27 lone 0 62 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 0 37 - 1 - HG12 ILE 40 - HD2 ARG 23 lone 0 67 - 1 - HG12 ILE 40 - HD3 ARG 23 lone 0 67 - 1 - HB2 MET 11 - HD3 ARG 17 lone 0 92 - 0 - HB2 MET 11 - HD2 ARG 17 lone 0 92 - 0 - HB2 GLN 91 - HD2 ARG 17 lone 0 78 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 78 - 0 - HB2 ARG 71 - HD2 ARG 82 lone 0 35 - 1 - HG12 ILE 40 - HD3 ARG 27 lone 0 70 - 0 - HG12 ILE 40 - HD2 ARG 27 lone 0 70 - 0 - HB ILE 68 - HD3 ARG 84 lone 0 57 - 1 - HB3 PRO 14 - HD3 ARG 71 lone 0 66 - 0 - HB3 ARG 27 - HD2 ARG 82 lone 0 37 - 1 - HB3 PRO 14 - HD2 ARG 82 lone 0 62 - 0 - HB3 PRO 14 - HD3 ARG 84 lone 0 68 - 0 - HB2 MET 11 - HD3 ARG 71 lone 0 67 - 0 - HB2 ARG 27 - HD2 ARG 82 lone 0 35 - 1 - HB ILE 68 - HD2 ARG 84 lone 0 52 - 1 - HB2 GLN 91 - HD3 ARG 66 lone 0 43 - 1 - HB2 GLN 91 - HD2 ARG 66 lone 0 41 - 1 - HB3 GLU 87 - HD3 ARG 23 lone 0 59 - 0 - HB3 GLU 87 - HD2 ARG 23 lone 0 59 - 0 - HB3 PRO 14 - HD2 ARG 84 lone 0 63 - 0 - HG12 ILE 40 - HD3 ARG 17 lone 0 61 - 0 - HG12 ILE 40 - HD2 ARG 17 lone 0 61 - 0 - HB2 MET 11 - HD3 ARG 84 lone 0 70 - 0 - HB3 GLU 87 - HD2 ARG 17 lone 0 54 - 0 - HB3 GLU 87 - HD3 ARG 17 lone 0 54 - 0 - HB2 MET 11 - HD2 ARG 84 lone 0 64 - 0 - HB2 GLN 91 - HD3 ARG 84 lone 0 57 - 0 - HB2 GLN 91 - HD2 ARG 82 lone 0 51 - 0 - HB2 MET 11 - HD2 ARG 82 lone 0 63 - 0 - HB2 GLN 91 - HD3 ARG 71 lone 0 54 - 0 - HB2 GLN 91 - HD2 ARG 84 lone 0 52 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 41 - 0 - HG12 ILE 40 - HD3 ARG 84 lone 0 43 - 0 - HG12 ILE 40 - HD2 ARG 84 lone 0 39 - 0 - HG12 ILE 40 - HD2 ARG 82 lone 0 38 - 0 - HB3 GLU 87 - HD3 ARG 66 lone 0 27 - 1 - HB3 GLU 87 - HD3 ARG 71 lone 0 36 - 0 - HB3 GLU 87 - HD2 ARG 66 lone 0 26 - 1 - HB3 GLU 87 - HD3 ARG 84 lone 0 37 - 0 - HB3 GLU 87 - HD2 ARG 84 lone 0 34 - 0 - HB3 GLU 87 - HD2 ARG 82 lone 0 33 - 0 - Peak 1401 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 8 out of 224 assignments used, quality = 1.00: * HB3 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 27 + HD2 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1420=2...(16) HB3 ARG 27 + HD3 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1420=2...(16) HB2 ARG 27 + HD2 ARG 27 OK 46 62 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 27 + HD3 ARG 27 OK 46 62 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 66 - HD3 ARG 66 OK 39 53 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB2 ARG 66 - HD2 ARG 66 OK 37 51 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB3 ARG 71 - HD3 ARG 71 OK 26 37 - 71 - 3.5=59, ~2902=2...(13) HB2 ARG 71 - HD3 ARG 71 OK 25 36 - 71 - 3.5=59, ~2902=2, ~2937=2...(13) HB3 ARG 71 - HD2 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 66 - HD2 ARG 26 OK 23 100 - 23 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 66 - HD3 ARG 26 OK 22 100 - 22 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD2 ARG 26 OK 22 63 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 71 - HD3 ARG 26 OK 22 63 - 35 - 1392/3.0=2, ~1391=1...(4) HB3 ARG 26 - HD2 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD3 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD2 ARG 27 OK 17 100 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 71 OK 17 68 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 26 - HD3 ARG 71 OK 17 68 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB3 ARG 27 - HD2 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 26 - HD3 ARG 66 OK 16 54 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 16 54 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 27 - HD3 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 27 - HD2 ARG 26 OK 16 63 - 25 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 26 OK 15 63 - 25 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 26 - HD2 ARG 66 OK 15 52 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 15 52 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 27 - HD2 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 27 - HD3 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD2 ARG 23 OK 12 59 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD3 ARG 23 OK 12 59 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 26 - HD2 ARG 17 OK 11 93 - 11 - HB3 ARG 26 - HD3 ARG 17 OK 11 93 - 11 - HB2 ARG 26 - HD2 ARG 17 OK 11 93 - 11 - HB2 ARG 26 - HD3 ARG 17 OK 11 93 - 11 - HB3 ARG 71 - HD2 ARG 17 OK 10 56 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 OK 10 56 - 18 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 poor 10 54 - 18 - ~2934=1 HB2 ARG 71 - HD2 ARG 17 poor 10 54 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 27 poor 8 64 - 13 - HB3 ARG 71 - HD2 ARG 27 poor 8 64 - 13 - HB3 PRO 34 - HD3 ARG 26 lone 8 99 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 8 99 - 8 - HB2 ARG 71 - HD2 ARG 27 poor 8 62 - 13 - HB2 ARG 71 - HD3 ARG 27 poor 8 62 - 13 - HB3 ARG 71 - HD3 ARG 66 poor 7 29 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 PRO 14 - HD3 ARG 66 poor 7 53 - 13 - 2708/3.0=1 HB3 ARG 71 - HD2 ARG 66 poor 7 27 - 26 - 2708/3.0=1, ~5167=1...(6) HB2 ARG 71 - HD3 ARG 66 poor 7 27 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 PRO 14 - HD2 ARG 66 poor 7 50 - 13 - 2708/3.0=1 HB2 ARG 71 - HD2 ARG 66 poor 7 26 - 26 - 2708/3.0=1, ~5167=1...(6) HB2 ARG 66 - HD2 ARG 27 lone 7 99 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 7 99 - 6 - HB3 ARG 71 - HD2 ARG 23 poor 7 61 - 11 - HB3 ARG 71 - HD3 ARG 23 poor 7 61 - 11 - HB2 ARG 71 - HD3 ARG 23 poor 6 59 - 11 - HB2 ARG 71 - HD2 ARG 23 poor 6 59 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 6 97 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 6 97 - 6 - HB3 ARG 26 - HD2 ARG 23 lone 6 98 - 6 - HB3 ARG 26 - HD3 ARG 23 lone 6 98 - 6 - HB2 ARG 26 - HD3 ARG 23 lone 6 98 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 6 98 - 6 - HB2 ARG 66 - HD3 ARG 71 lone 5 67 - 8 - HB2 MET 11 - HD3 ARG 66 poor 5 54 - 10 - 965/3.0=2 HB2 MET 11 - HD2 ARG 66 poor 5 51 - 10 - 965/3.0=2 HB3 ARG 27 - HD2 ARG 17 lone 5 56 - 9 - HB3 ARG 27 - HD3 ARG 17 lone 5 56 - 9 - HB ILE 68 - HD3 ARG 66 poor 5 44 - 12 - ~5251=1 HB2 ARG 27 - HD2 ARG 17 lone 5 54 - 9 - HB2 ARG 27 - HD3 ARG 17 lone 5 54 - 9 - HB ILE 68 - HD2 ARG 66 poor 5 42 - 12 - ~5251=1 HB3 PRO 34 - HD3 ARG 71 lone 4 66 - 6 - HB3 ARG 27 - HD3 ARG 71 poor 4 37 - 11 - HB ILE 68 - HD3 ARG 71 lone 4 56 - 7 - ~5985=5 HB2 ARG 27 - HD3 ARG 71 poor 4 36 - 11 - HB2 LYS 39 - HD3 ARG 23 lone 3 64 - 5 - HB2 LYS 39 - HD2 ARG 23 lone 3 64 - 5 - HB3 ARG 71 - HD3 ARG 84 lone 3 39 - 8 - HB2 ARG 66 - HD2 ARG 17 lone 3 92 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 3 92 - 3 - HB3 PRO 14 - HD2 ARG 26 lone 3 99 - 3 - HB3 PRO 14 - HD3 ARG 26 lone 3 99 - 3 - HB2 ARG 71 - HD3 ARG 84 lone 3 37 - 8 - HB3 ARG 26 - HD3 ARG 84 lone 3 71 - 4 - HB2 ARG 26 - HD3 ARG 84 lone 3 71 - 4 - HB3 ARG 71 - HD2 ARG 84 lone 3 36 - 8 - HB2 ARG 71 - HD2 ARG 84 lone 3 34 - 8 - HB3 ARG 26 - HD2 ARG 84 lone 3 65 - 4 - HB2 ARG 26 - HD2 ARG 84 lone 3 65 - 4 - HB ILE 68 - HD3 ARG 23 lone 3 86 - 3 - HB ILE 68 - HD2 ARG 23 lone 3 86 - 3 - HB3 ARG 27 - HD3 ARG 66 lone 2 29 - 8 - HB3 ARG 27 - HD2 ARG 66 lone 2 27 - 8 - HB2 GLN 91 - HD2 ARG 26 lone 2 90 - 2 - HB2 GLN 91 - HD3 ARG 26 lone 2 90 - 2 - HB2 ARG 27 - HD3 ARG 66 lone 2 27 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 2 26 - 8 - HB ILE 68 - HD2 ARG 26 lone 2 90 - 2 - HB ILE 68 - HD3 ARG 26 lone 2 90 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 98 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 98 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 100 - 1 - HB2 MET 11 - HD3 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 84 lone 1 41 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 1 37 - 3 - HB3 PRO 34 - HD3 ARG 66 lone 1 52 - 2 - HB2 GLU 19 - HD2 ARG 26 lone 1 60 - 2 - HB2 GLU 19 - HD3 ARG 26 lone 1 60 - 2 - HB3 PRO 34 - HD2 ARG 66 lone 1 50 - 2 - HB3 PRO 34 - HD2 ARG 23 lone 1 96 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 96 - 1 - HB3 GLU 87 - HD2 ARG 26 lone 1 65 - 1 - HB3 GLU 87 - HD3 ARG 26 lone 1 65 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 62 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 68 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 91 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 91 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 63 - 1 - HB ILE 68 - HD2 ARG 27 lone 1 89 - 1 - HB ILE 68 - HD3 ARG 27 lone 1 89 - 1 - HG12 ILE 40 - HD3 ARG 66 lone 1 33 - 2 - HB3 PRO 14 - HD2 ARG 23 lone 1 97 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 1 97 - 1 - HG12 ILE 40 - HD2 ARG 26 lone 1 73 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 1 73 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 68 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 68 - 1 - HB2 GLN 91 - HD2 ARG 27 lone 1 89 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 1 89 - 1 - HB3 ARG 27 - HD3 ARG 84 lone 1 39 - 2 - HG12 ILE 40 - HD2 ARG 66 lone 1 31 - 2 - HB2 GLN 91 - HD2 ARG 23 lone 1 86 - 1 - HB2 GLN 91 - HD3 ARG 23 lone 1 86 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 37 - 2 - HB2 GLU 19 - HD3 ARG 17 lone 1 51 - 1 - HB2 GLU 19 - HD2 ARG 17 lone 1 51 - 1 - HB3 ARG 27 - HD2 ARG 84 lone 1 36 - 2 - HB3 PRO 14 - HD3 ARG 27 lone 1 99 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 1 99 - 1 - HB2 LYS 39 - HD2 ARG 17 lone 1 59 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 1 59 - 1 - HB2 LYS 39 - HD2 ARG 82 lone 1 37 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 34 - 2 - HB2 LYS 39 - HD3 ARG 27 lone 1 67 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 67 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 1 70 - 1 - HB ILE 68 - HD2 ARG 82 lone 1 52 - 1 - HB ILE 68 - HD2 ARG 17 lone 0 80 - 1 - HB ILE 68 - HD3 ARG 17 lone 0 80 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 64 - 1 - HB2 MET 11 - HD3 ARG 27 lone 0 99 - 0 - HB2 MET 11 - HD2 ARG 27 lone 0 99 - 0 - HB2 ARG 26 - HD2 ARG 82 lone 0 64 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 64 - 1 - HB2 GLU 19 - HD2 ARG 27 lone 0 59 - 1 - HB2 GLU 19 - HD3 ARG 27 lone 0 59 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 30 - 1 - HB2 MET 11 - HD2 ARG 23 lone 0 98 - 0 - HB2 MET 11 - HD3 ARG 23 lone 0 98 - 0 - HB2 ARG 66 - HD2 ARG 82 lone 0 63 - 1 - HB3 GLU 87 - HD3 ARG 27 lone 0 64 - 1 - HB3 GLU 87 - HD2 ARG 27 lone 0 64 - 1 - HB3 PRO 14 - HD3 ARG 17 lone 0 92 - 0 - HB3 PRO 14 - HD2 ARG 17 lone 0 92 - 0 - HG12 ILE 40 - HD3 ARG 23 lone 0 69 - 1 - HG12 ILE 40 - HD2 ARG 23 lone 0 69 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 29 - 1 - HB2 MET 11 - HD3 ARG 17 lone 0 93 - 0 - HB2 MET 11 - HD2 ARG 17 lone 0 93 - 0 - HB2 GLN 91 - HD2 ARG 17 lone 0 80 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 80 - 0 - HB2 LYS 39 - HD3 ARG 71 lone 0 39 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 0 35 - 1 - HG12 ILE 40 - HD2 ARG 27 lone 0 72 - 0 - HG12 ILE 40 - HD3 ARG 27 lone 0 72 - 0 - HB2 GLU 19 - HD2 ARG 23 lone 0 56 - 1 - HB2 GLU 19 - HD3 ARG 23 lone 0 56 - 1 - HB2 ARG 71 - HD2 ARG 82 lone 0 33 - 1 - HB ILE 68 - HD3 ARG 84 lone 0 58 - 1 - HB3 PRO 14 - HD3 ARG 71 lone 0 66 - 0 - HB3 PRO 14 - HD2 ARG 82 lone 0 63 - 0 - HB3 PRO 14 - HD3 ARG 84 lone 0 69 - 0 - HB ILE 68 - HD2 ARG 84 lone 0 53 - 1 - HB2 MET 11 - HD3 ARG 71 lone 0 67 - 0 - HB2 GLN 91 - HD3 ARG 66 lone 0 44 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 0 35 - 1 - HB3 GLU 87 - HD2 ARG 23 lone 0 61 - 0 - HB3 GLU 87 - HD3 ARG 23 lone 0 61 - 0 - HB2 GLN 91 - HD2 ARG 66 lone 0 42 - 1 - HG12 ILE 40 - HD2 ARG 17 lone 0 63 - 0 - HG12 ILE 40 - HD3 ARG 17 lone 0 63 - 0 - HB2 ARG 27 - HD2 ARG 82 lone 0 33 - 1 - HB3 PRO 14 - HD2 ARG 84 lone 0 64 - 0 - HB3 GLU 87 - HD2 ARG 17 lone 0 56 - 0 - HB3 GLU 87 - HD3 ARG 17 lone 0 56 - 0 - HB2 MET 11 - HD3 ARG 84 lone 0 70 - 0 - HB2 MET 11 - HD2 ARG 84 lone 0 65 - 0 - HB2 GLN 91 - HD3 ARG 84 lone 0 58 - 0 - HB2 GLN 91 - HD2 ARG 82 lone 0 52 - 0 - HB2 MET 11 - HD2 ARG 82 lone 0 63 - 0 - HB2 GLN 91 - HD3 ARG 71 lone 0 56 - 0 - HB2 GLN 91 - HD2 ARG 84 lone 0 53 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 43 - 0 - HG12 ILE 40 - HD3 ARG 84 lone 0 45 - 0 - HB2 GLU 19 - HD3 ARG 71 lone 0 34 - 1 - HB2 GLU 19 - HD3 ARG 84 lone 0 35 - 0 - HG12 ILE 40 - HD2 ARG 84 lone 0 41 - 0 - HG12 ILE 40 - HD2 ARG 82 lone 0 40 - 0 - HB3 GLU 87 - HD3 ARG 66 lone 0 29 - 1 - HB2 GLU 19 - HD2 ARG 84 lone 0 32 - 0 - HB3 GLU 87 - HD3 ARG 71 lone 0 37 - 0 - HB2 GLU 19 - HD3 ARG 66 lone 0 26 - 1 - HB3 GLU 87 - HD2 ARG 66 lone 0 27 - 1 - HB3 GLU 87 - HD3 ARG 84 lone 0 39 - 0 - HB2 GLU 19 - HD2 ARG 66 lone 0 25 - 1 - HB3 GLU 87 - HD2 ARG 84 lone 0 36 - 0 - HB3 GLU 87 - HD2 ARG 82 lone 0 35 - 0 - HB2 GLU 19 - HD2 ARG 82 lone 0 32 - 0 - Peak 1402 from cnoeabs.peaks (1.62, 3.17, 43.10 ppm; 2.87 A): 11 out of 224 assignments used, quality = 1.00: * HG2 ARG 26 + HD2 ARG 26 OK 93 100 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD3 ARG 26 OK 93 100 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 27 + HD3 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 17 + HD3 ARG 17 OK 85 93 - 92 - 3.0=89, 1167/3.6=4...(9) HG3 ARG 17 + HD2 ARG 17 OK 85 93 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 17 + HD3 ARG 17 OK 85 93 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 17 + HD2 ARG 17 OK 85 93 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 71 + HD3 ARG 71 OK 61 68 - 90 - 3.0=88, 1159/3.5=2...(5) HG2 ARG 84 - HD3 ARG 84 OK 36 37 - 98 - 2.9=98, 3394/3.5=2...(10) HG3 ARG 84 - HD3 ARG 84 OK 36 37 - 98 - 2.9=98, 3394/3.5=2...(10) HG3 ARG 84 - HD2 ARG 84 OK 33 34 - 98 - 2.9=98, 3402/3.5=2...(10) HG2 ARG 84 - HD2 ARG 84 OK 33 34 - 98 - 2.9=98, 3402/3.5=2...(10) HG2 ARG 71 - HD2 ARG 26 OK 28 100 - 29 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 28 100 - 29 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 27 - HD2 ARG 26 OK 18 97 - 18 - 1394/3.0=2 HG3 ARG 27 - HD2 ARG 26 OK 18 97 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 97 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 17 97 - 18 - 1394/3.0=2 HG3 ARG 70 - HD3 ARG 66 OK 17 51 - 35 - ~2871=2, ~2870=2...(11) HG3 ARG 70 - HD2 ARG 66 OK 17 48 - 34 - ~2871=2, ~2870=2...(11) HG2 ARG 71 - HD2 ARG 17 OK 15 93 - 17 - ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD3 ARG 17 OK 15 93 - 17 - ~2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 14 100 - 15 - 1394/3.0=2 HG2 ARG 17 - HD2 ARG 26 OK 14 100 - 15 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 14 100 - 14 - 1394/3.0=2 HG2 ARG 17 - HD3 ARG 26 OK 14 100 - 14 - 1394/3.0=1 HG2 ARG 26 - HD3 ARG 27 OK 12 100 - 12 - 1.8/1396=1 HG2 ARG 26 - HD2 ARG 27 OK 12 100 - 12 - 1.8/1396=1 HG2 ARG 27 - HD2 ARG 23 OK 11 94 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 11 94 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG3 ARG 17 - HD3 ARG 71 OK 11 68 - 17 - 2932/3.0=2 HG2 ARG 17 - HD3 ARG 71 OK 11 68 - 17 - 2932/3.0=2 HG2 ARG 26 - HD3 ARG 71 OK 11 68 - 16 - 2932/3.0=3, ~1394=1, 1.8/1397=1 HG2 ARG 71 - HD3 ARG 27 OK 10 100 - 10 - HG2 ARG 71 - HD2 ARG 27 OK 10 100 - 10 - HG2 ARG 26 - HD3 ARG 66 poor 9 54 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 9 54 - 16 - ~2935=1, 1.8/2935=1, 2927/1.8=1 HG2 ARG 26 - HD3 ARG 17 lone 8 93 - 9 - HG2 ARG 26 - HD2 ARG 17 lone 8 93 - 9 - HG2 ARG 26 - HD2 ARG 66 poor 8 52 - 16 - 1.8/1397=1, ~1396=1, ~1397=1 HG2 ARG 71 - HD2 ARG 66 poor 8 52 - 16 - ~2935=1, 1.8/2935=1, 2927/1.8=1 HG3 ARG 17 - HD3 ARG 27 lone 8 100 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 100 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 99 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 99 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 98 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 98 - 8 - HG3 ARG 17 - HD3 ARG 23 lone 7 98 - 7 - HG3 ARG 17 - HD2 ARG 23 lone 7 98 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 7 98 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 7 98 - 7 - HG2 ARG 27 - HD3 ARG 17 lone 6 88 - 7 - HG2 ARG 27 - HD2 ARG 17 lone 6 88 - 7 - HG2 ARG 27 - HD3 ARG 71 lone 6 63 - 9 - 2932/3.0=1 HG3 ARG 70 - HD3 ARG 71 lone 6 64 - 9 - 2932/3.0=1, 778/5.8=1 HG3 ARG 27 - HD2 ARG 17 lone 6 87 - 7 - HG3 ARG 27 - HD3 ARG 17 lone 6 87 - 7 - HD3 LYS 32 - HD3 ARG 71 lone 6 64 - 9 - 2932/3.0=1 HG3 ARG 27 - HD3 ARG 71 lone 6 62 - 9 - 2932/3.0=1 HD2 LYS 32 - HD3 ARG 71 lone 6 62 - 9 - HG2 ARG 71 - HD3 ARG 84 lone 5 71 - 7 - HG3 ARG 70 - HD2 ARG 26 lone 5 98 - 5 - HG3 ARG 70 - HD3 ARG 26 lone 5 98 - 5 - HG2 ARG 71 - HD2 ARG 84 lone 5 65 - 7 - HB2 LEU 86 - HD3 ARG 17 lone 5 91 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 5 91 - 5 - HG3 ARG 17 - HD3 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 70 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 65 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 65 - 6 - HG2 ARG 26 - HD2 ARG 23 lone 4 98 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 98 - 4 - HD3 LYS 32 - HD3 ARG 26 lone 4 98 - 4 - HD3 LYS 32 - HD2 ARG 26 lone 4 98 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 4 99 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 99 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 97 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 97 - 3 - HG2 ARG 84 - HD3 ARG 17 lone 3 54 - 6 - HG3 ARG 84 - HD2 ARG 17 lone 3 54 - 6 - HG2 ARG 84 - HD2 ARG 17 lone 3 54 - 6 - HG3 ARG 84 - HD3 ARG 17 lone 3 54 - 6 - HG2 ARG 27 - HD3 ARG 66 lone 3 50 - 7 - HG3 ARG 27 - HD3 ARG 66 lone 3 49 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 3 48 - 7 - HG3 ARG 27 - HD2 ARG 66 lone 3 47 - 7 - HD3 LYS 73 - HD3 ARG 71 lone 3 62 - 5 - HD2 LYS 73 - HD3 ARG 71 lone 3 62 - 5 - HG3 ARG 84 - HD2 ARG 26 lone 3 63 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 63 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG LEU 86 - HD2 ARG 26 lone 3 76 - 3 - HG LEU 86 - HD3 ARG 26 lone 2 76 - 3 - HG3 ARG 84 - HD3 ARG 71 lone 2 36 - 7 - HG2 ARG 84 - HD3 ARG 71 lone 2 36 - 7 - HG LEU 86 - HD2 ARG 17 lone 2 66 - 3 - HG LEU 86 - HD3 ARG 17 lone 2 66 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 54 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 2 54 - 4 - HG3 ARG 70 - HD3 ARG 17 lone 2 89 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 89 - 2 - HD3 LYS 32 - HD3 ARG 84 lone 2 67 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 2 52 - 4 - HG2 ARG 17 - HD2 ARG 66 lone 2 51 - 4 - HD2 LYS 32 - HD3 ARG 84 lone 2 65 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 68 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 71 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 89 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 89 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 87 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 87 - 2 - HD3 LYS 32 - HD2 ARG 84 lone 2 61 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 65 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 2 65 - 3 - HD2 LYS 73 - HD3 ARG 26 lone 2 97 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 97 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 97 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 2 97 - 2 - HG2 ARG 26 - HD2 ARG 84 lone 2 65 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 60 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 63 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 60 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 2 60 - 3 - HG3 ARG 70 - HD2 ARG 27 lone 2 97 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 2 97 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD3 ARG 71 lone 2 66 - 2 - HB2 LEU 86 - HD2 ARG 23 lone 1 96 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 96 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 97 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 97 - 1 - HG3 ARG 70 - HD3 ARG 84 lone 1 67 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 1 87 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 87 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 1 87 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 1 87 - 2 - HD2 LYS 32 - HD2 ARG 27 lone 1 96 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 96 - 1 - HG3 ARG 70 - HD2 ARG 84 lone 1 61 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 1 59 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 1 59 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 1 59 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 1 59 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 62 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 62 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 62 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 62 - 2 - HG LEU 86 - HD2 ARG 27 lone 1 75 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 75 - 1 - HG LEU 86 - HD3 ARG 84 lone 1 46 - 2 - HB2 LEU 86 - HD3 ARG 66 lone 1 52 - 2 - HG LEU 86 - HD2 ARG 23 lone 1 72 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 72 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 50 - 2 - HD3 LYS 32 - HD3 ARG 66 lone 1 51 - 2 - HG LEU 86 - HD2 ARG 84 lone 1 42 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 66 - 1 - HD3 LYS 32 - HD2 ARG 66 lone 1 48 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 49 - 2 - HG LEU 86 - HD3 ARG 71 lone 1 44 - 2 - HG3 ARG 27 - HD3 ARG 84 lone 1 65 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 1 47 - 2 - HG2 ARG 27 - HD2 ARG 84 lone 1 61 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 60 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 93 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 93 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 93 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 93 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 78 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 78 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 95 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 95 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 95 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 95 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 96 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 96 - 1 - HG LEU 86 - HD3 ARG 66 lone 1 35 - 2 - HD2 LYS 32 - HD2 ARG 23 lone 1 93 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 93 - 1 - HG LEU 86 - HD2 ARG 66 lone 1 33 - 2 - HG2 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 1 49 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 1 49 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 48 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 0 68 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 0 68 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 60 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 1 47 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 1 47 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 58 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 0 58 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 0 74 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 74 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 58 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 0 44 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 64 - 1 - HB3 LEU 51 - HD3 ARG 71 lone 0 46 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 0 59 - 1 - HB3 LEU 51 - HD2 ARG 27 lone 0 77 - 0 - HB3 LEU 51 - HD3 ARG 27 lone 0 77 - 0 - HG3 ARG 27 - HD2 ARG 82 lone 0 58 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 0 33 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 0 33 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 0 60 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 36 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 34 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 62 - 0 - HG3 ARG 84 - HD3 ARG 66 lone 0 27 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 27 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 26 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 26 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 0 43 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 42 - 0 - Peak 1403 from cnoeabs.peaks (1.75, 3.17, 43.10 ppm; 3.07 A): 5 out of 210 assignments used, quality = 1.00: * HG3 ARG 26 + HD2 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 72 92 - 78 - 3.6=63, 1167/3.0=5...(15) HB3 ARG 17 + HD3 ARG 17 OK 72 92 - 78 - 3.6=63, 1167/3.0=5...(15) HG3 ARG 71 + HD3 ARG 71 OK 68 68 - 100 - 3.0=100 HB2 ARG 84 - HD3 ARG 84 OK 38 48 - 78 - 3.5=67, 3380/2.9=5...(14) HG3 ARG 71 - HD2 ARG 26 OK 35 100 - 35 - 2932/3.0=3, 2935/1.8=3...(10) HB2 ARG 84 - HD2 ARG 84 OK 35 44 - 78 - 3.5=67, 3379/2.9=5...(14) HG3 ARG 71 - HD3 ARG 26 OK 34 100 - 35 - 2932/3.0=3, 2929/4.8=3...(10) HB3 ARG 82 - HD2 ARG 82 OK 34 51 - 67 - 3.6=60, 5479/3.0=8...(7) HG3 ARG 71 - HD3 ARG 17 OK 21 93 - 23 - 2934/1.8=2, 2932/3.0=2...(7) HG3 ARG 71 - HD2 ARG 17 OK 21 93 - 23 - 2934/1.8=2, 2932/3.0=2...(7) HG3 ARG 26 - HD3 ARG 27 OK 17 100 - 18 - 1394/3.0=2, 1394/3.0=2...(7) HG3 ARG 26 - HD2 ARG 27 OK 17 100 - 18 - 1394/3.0=2, 1394/3.0=2...(7) HB3 ARG 17 - HD2 ARG 26 OK 17 100 - 17 - HB3 ARG 17 - HD3 ARG 26 OK 17 100 - 17 - HG3 ARG 26 - HD3 ARG 71 OK 16 68 - 24 - 1394/3.0=4, 1391/4.7=3...(7) HG3 ARG 71 - HD3 ARG 27 OK 15 99 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HG3 ARG 71 - HD2 ARG 27 OK 15 99 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HB3 ARG 17 - HD2 ARG 27 OK 14 99 - 15 - HB3 ARG 17 - HD3 ARG 27 OK 14 99 - 15 - HB3 ARG 17 - HD3 ARG 71 OK 14 67 - 21 - 1164/3.5=2, 1164/3.5=1...(4) HG3 ARG 26 - HD2 ARG 17 OK 12 93 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 26 - HD3 ARG 17 OK 12 93 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 26 - HD3 ARG 66 OK 11 54 - 21 - 1396=2, 1397/1.8=2, 1393/3.4=1 HG3 ARG 26 - HD2 ARG 66 OK 11 52 - 21 - 1397=2, 1396/1.8=2, 1393/3.4=1 HG2 PRO 34 - HD3 ARG 26 OK 11 97 - 11 - 1723/3.5=1, 1723/3.5=1 HG2 PRO 34 - HD2 ARG 26 OK 10 97 - 11 - 1723/3.5=1, 1723/3.5=1 HG3 ARG 71 - HD3 ARG 66 OK 10 54 - 19 - 2935/1.8=2, 2935=2 HG3 ARG 71 - HD3 ARG 23 poor 10 98 - 10 - 2934/1.8=1 HG3 ARG 71 - HD2 ARG 23 poor 10 98 - 10 - 2934/1.8=1 HG3 ARG 71 - HD2 ARG 66 poor 10 51 - 19 - 2935/1.8=2, 2935=2 HB2 LEU 62 - HD2 ARG 26 lone 10 100 - 10 - 3.1/5958=2, ~5958=1, 4678/4.8=1 HB2 LEU 62 - HD3 ARG 26 lone 10 100 - 10 - 3.1/5958=2, ~5958=1, 4678/4.8=1 HB3 ARG 17 - HD2 ARG 23 lone 9 97 - 9 - HB3 ARG 17 - HD3 ARG 23 lone 9 97 - 9 - HB3 ARG 82 - HD2 ARG 23 poor 9 84 - 10 - ~5889=1, ~5480=1 HB3 ARG 82 - HD3 ARG 23 poor 9 84 - 10 - ~5889=1, ~5480=1 HB3 ARG 17 - HD3 ARG 84 lone 7 70 - 9 - HG2 PRO 34 - HD3 ARG 71 poor 6 62 - 11 - 1723/3.5=1, 1723/3.5=1 HB2 ARG 84 - HD2 ARG 17 lone 6 68 - 9 - HB2 ARG 84 - HD3 ARG 17 lone 6 68 - 9 - HB3 ARG 17 - HD2 ARG 84 lone 6 64 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 6 70 - 8 - 2934/1.8=1 HG3 ARG 71 - HD2 ARG 84 lone 6 65 - 8 - 2934/1.8=1 HG3 ARG 26 - HD3 ARG 23 lone 5 98 - 5 - HG3 ARG 26 - HD2 ARG 23 lone 5 98 - 5 - HB2 ARG 84 - HD3 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HD2 ARG 26 lone 4 78 - 5 - HB2 LYS 32 - HD3 ARG 71 lone 4 41 - 9 - HB3 LYS 32 - HD3 ARG 71 lone 4 41 - 9 - HB2 ARG 84 - HD3 ARG 71 lone 3 46 - 7 - HB2 LEU 62 - HD3 ARG 71 lone 3 68 - 5 - HG2 PRO 34 - HD3 ARG 27 lone 3 96 - 3 - HG2 PRO 34 - HD2 ARG 27 lone 3 96 - 3 - HB2 LEU 62 - HD3 ARG 17 lone 3 93 - 3 - HB2 LEU 62 - HD2 ARG 17 lone 3 93 - 3 - HB2 LEU 62 - HD3 ARG 66 lone 3 54 - 5 - HB2 LEU 62 - HD3 ARG 84 lone 3 71 - 4 - HB3 LYS 32 - HD3 ARG 26 lone 3 71 - 4 - HB2 LYS 32 - HD3 ARG 26 lone 3 71 - 4 - HB3 LYS 32 - HD2 ARG 26 lone 3 71 - 4 - HB2 LYS 32 - HD2 ARG 26 lone 3 71 - 4 - HB2 LEU 62 - HD2 ARG 66 lone 3 52 - 5 - HG3 ARG 26 - HD3 ARG 84 lone 3 71 - 3 - HB2 LEU 62 - HD3 ARG 23 lone 2 98 - 2 - HB2 LEU 62 - HD2 ARG 23 lone 2 98 - 2 - HB2 LEU 62 - HD2 ARG 84 lone 2 65 - 4 - HB3 LYS 73 - HD3 ARG 84 lone 2 35 - 7 - HB3 LYS 85 - HD3 ARG 84 lone 2 41 - 6 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 26 - HD2 ARG 84 lone 2 65 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 2 77 - 3 - HB2 ARG 84 - HD3 ARG 27 lone 2 77 - 3 - HB3 LYS 73 - HD2 ARG 84 lone 2 32 - 7 - HB3 LYS 85 - HD2 ARG 84 lone 2 37 - 6 - 3385/3.5=1, 6062/5.1=1 HB2 ARG 84 - HD3 ARG 23 lone 2 74 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 2 74 - 3 - HB3 ARG 82 - HD3 ARG 84 lone 2 57 - 4 - HB2 LEU 62 - HD2 ARG 27 lone 2 100 - 2 - HB2 LEU 62 - HD3 ARG 27 lone 2 100 - 2 - HB3 ARG 82 - HD3 ARG 17 lone 2 78 - 2 - HB3 ARG 82 - HD2 ARG 17 lone 2 78 - 2 - HB3 ARG 82 - HD2 ARG 84 lone 2 52 - 4 - HB3 LYS 32 - HD3 ARG 84 lone 2 43 - 4 - HB2 LYS 32 - HD3 ARG 84 lone 2 43 - 4 - HB2 ARG 54 - HD2 ARG 82 lone 2 51 - 4 - HB2 LYS 32 - HD3 ARG 17 lone 2 61 - 3 - HB3 LYS 32 - HD3 ARG 17 lone 2 61 - 3 - HB2 LYS 32 - HD2 ARG 17 lone 2 61 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 61 - 3 - HB2 LYS 32 - HD2 ARG 84 lone 2 39 - 4 - HB3 LYS 32 - HD2 ARG 84 lone 2 39 - 4 - HB3 ARG 17 - HD3 ARG 66 lone 2 53 - 3 - HB3 LYS 73 - HD3 ARG 71 lone 2 34 - 5 - HB2 LEU 43 - HD2 ARG 26 lone 2 73 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 2 73 - 2 - HB3 ARG 17 - HD2 ARG 66 lone 2 51 - 3 - HB2 LEU 57 - HD2 ARG 26 lone 1 87 - 2 - HB2 LEU 57 - HD3 ARG 26 lone 1 87 - 2 - HG2 PRO 34 - HD2 ARG 23 lone 1 93 - 1 - HG2 PRO 34 - HD3 ARG 23 lone 1 93 - 1 - HB3 LYS 32 - HD3 ARG 66 lone 1 32 - 4 - HB2 LYS 32 - HD3 ARG 66 lone 1 32 - 4 - HB2 ARG 54 - HD3 ARG 23 lone 1 84 - 1 - HB2 ARG 54 - HD2 ARG 23 lone 1 84 - 1 - HB3 ARG 82 - HD3 ARG 71 lone 1 54 - 2 - HG2 PRO 34 - HD2 ARG 82 lone 1 58 - 2 - HB3 ARG 82 - HD3 ARG 27 lone 1 87 - 1 - HB3 ARG 82 - HD2 ARG 27 lone 1 87 - 1 - HB2 LEU 43 - HD3 ARG 66 lone 1 33 - 4 - HB3 LYS 32 - HD3 ARG 27 lone 1 70 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 70 - 2 - HB3 LYS 32 - HD2 ARG 27 lone 1 70 - 2 - HB2 LYS 32 - HD3 ARG 27 lone 1 70 - 2 - HB3 LYS 32 - HD2 ARG 66 lone 1 30 - 4 - HB2 LYS 32 - HD2 ARG 66 lone 1 30 - 4 - HB2 LEU 43 - HD2 ARG 66 lone 1 31 - 4 - HB3 ARG 82 - HD3 ARG 26 lone 1 89 - 1 - HB3 ARG 82 - HD2 ARG 26 lone 1 89 - 1 - HG2 PRO 34 - HD2 ARG 17 lone 1 87 - 1 - HG2 PRO 34 - HD3 ARG 17 lone 1 87 - 1 - HB3 LYS 73 - HD2 ARG 17 lone 1 51 - 2 - HB3 LYS 73 - HD3 ARG 17 lone 1 51 - 2 - HB2 ARG 54 - HD3 ARG 84 lone 1 57 - 2 - HB3 LYS 73 - HD3 ARG 26 lone 1 60 - 2 - HB3 LYS 73 - HD2 ARG 26 lone 1 60 - 2 - HB2 ARG 54 - HD2 ARG 84 lone 1 52 - 2 - HB2 LEU 57 - HD2 ARG 23 lone 1 83 - 1 - HB2 LEU 57 - HD3 ARG 23 lone 1 83 - 1 - HG3 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HG2 PRO 34 - HD3 ARG 66 lone 1 49 - 2 - HB2 ARG 54 - HD2 ARG 26 lone 1 89 - 1 - HB2 ARG 54 - HD3 ARG 26 lone 1 89 - 1 - HB2 LEU 57 - HD3 ARG 66 lone 1 41 - 2 - HG2 PRO 34 - HD2 ARG 66 lone 1 47 - 2 - HB2 LEU 57 - HD2 ARG 27 lone 1 86 - 1 - HB2 LEU 57 - HD3 ARG 27 lone 1 86 - 1 - HG2 PRO 34 - HD3 ARG 84 lone 1 65 - 1 - HB2 LEU 57 - HD2 ARG 66 lone 1 39 - 2 - HB2 LEU 43 - HD2 ARG 27 lone 1 72 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 72 - 1 - HB3 LYS 73 - HD2 ARG 82 lone 1 32 - 3 - HB ILE 33 - HD2 ARG 26 lone 1 83 - 1 - HB ILE 33 - HD3 ARG 26 lone 1 83 - 1 - HB3 LYS 73 - HD2 ARG 23 lone 1 56 - 1 - HB3 LYS 73 - HD3 ARG 23 lone 1 56 - 1 - HB2 ARG 84 - HD2 ARG 82 lone 1 43 - 2 - HB3 ARG 17 - HD2 ARG 82 lone 1 63 - 1 - HG2 PRO 34 - HD2 ARG 84 lone 1 60 - 1 - HB3 LYS 85 - HD3 ARG 17 lone 1 59 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 59 - 1 - HB2 ARG 54 - HD2 ARG 17 lone 1 78 - 1 - HB2 ARG 54 - HD3 ARG 17 lone 1 78 - 1 - HB2 LYS 32 - HD2 ARG 82 lone 1 38 - 2 - HB3 LYS 32 - HD2 ARG 82 lone 1 38 - 2 - HB2 LEU 43 - HD2 ARG 23 lone 1 69 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 1 69 - 1 - HB2 ARG 54 - HD3 ARG 71 lone 1 54 - 1 - HB2 LEU 43 - HD3 ARG 84 lone 1 45 - 2 - HB ILE 33 - HD2 ARG 27 lone 1 81 - 1 - HB ILE 33 - HD3 ARG 27 lone 1 81 - 1 - HB3 LYS 85 - HD3 ARG 71 lone 1 39 - 2 - HB2 ARG 54 - HD2 ARG 27 lone 1 87 - 1 - HB2 ARG 54 - HD3 ARG 27 lone 1 87 - 1 - HB2 LEU 43 - HD2 ARG 84 lone 1 41 - 2 - HB2 LEU 43 - HD2 ARG 17 lone 1 63 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 1 63 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 68 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 68 - 1 - HB2 LEU 57 - HD3 ARG 71 lone 1 53 - 1 - HB3 LYS 73 - HD3 ARG 27 lone 1 59 - 1 - HB3 LYS 73 - HD2 ARG 27 lone 1 59 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 1 67 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 1 67 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 1 67 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 1 67 - 1 - HB2 LEU 57 - HD2 ARG 17 lone 1 76 - 1 - HB2 LEU 57 - HD3 ARG 17 lone 1 76 - 1 - HB ILE 33 - HD2 ARG 23 lone 1 78 - 1 - HB ILE 33 - HD3 ARG 23 lone 1 78 - 1 - HB2 LEU 43 - HD3 ARG 71 lone 1 43 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 1 64 - 1 - HB3 ARG 82 - HD3 ARG 66 lone 1 43 - 1 - HB ILE 33 - HD2 ARG 17 lone 1 72 - 1 - HB ILE 33 - HD3 ARG 17 lone 1 72 - 1 - HB3 ARG 82 - HD2 ARG 66 lone 1 41 - 1 - HB ILE 33 - HD3 ARG 66 lone 1 39 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 0 64 - 1 - HB ILE 33 - HD2 ARG 66 lone 1 37 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 0 67 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 0 67 - 1 - HB ILE 33 - HD3 ARG 71 lone 0 50 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 0 64 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 0 64 - 1 - HB2 LEU 57 - HD2 ARG 82 lone 0 49 - 1 - HB ILE 33 - HD2 ARG 82 lone 0 46 - 1 - HB2 LEU 57 - HD3 ARG 84 lone 0 55 - 1 - HB2 LEU 57 - HD2 ARG 84 lone 0 50 - 1 - HB3 LYS 85 - HD2 ARG 82 lone 0 37 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 0 36 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 0 34 - 1 - HB2 ARG 54 - HD3 ARG 66 lone 0 43 - 1 - HB ILE 33 - HD3 ARG 84 lone 0 52 - 1 - HB2 ARG 54 - HD2 ARG 66 lone 0 41 - 1 - HB ILE 33 - HD2 ARG 84 lone 0 47 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 0 40 - 1 - HB3 LYS 73 - HD3 ARG 66 lone 0 26 - 1 - HB3 LYS 73 - HD2 ARG 66 lone 0 25 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 0 30 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 0 29 - 1 - Peak 1404 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 9 out of 14 assignments used, quality = 1.00: * HD2 ARG 26 + HD2 ARG 26 OK 100 100 - 100 HD3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 95 95 - 100 HD3 ARG 23 + HD3 ARG 23 OK 95 95 - 100 HD2 ARG 17 + HD2 ARG 17 OK 83 83 - 100 HD3 ARG 17 + HD3 ARG 17 OK 83 83 - 100 HD3 ARG 66 + HD3 ARG 66 OK 47 47 - 100 HD2 ARG 66 - HD2 ARG 66 OK 43 43 - 100 HD3 ARG 84 - HD3 ARG 84 OK 43 43 - 100 HD3 ARG 71 - HD3 ARG 71 OK 39 39 - 100 HD2 ARG 82 - HD2 ARG 82 OK 37 37 - 100 HD2 ARG 84 - HD2 ARG 84 OK 36 36 - 100 Peak 1405 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 9 out of 14 assignments used, quality = 1.00: HD3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 94 94 - 100 HD3 ARG 23 + HD3 ARG 23 OK 94 94 - 100 HD2 ARG 17 + HD2 ARG 17 OK 82 82 - 100 HD3 ARG 17 + HD3 ARG 17 OK 82 82 - 100 HD3 ARG 66 + HD3 ARG 66 OK 48 48 - 100 HD2 ARG 66 - HD2 ARG 66 OK 44 44 - 100 HD3 ARG 84 - HD3 ARG 84 OK 41 41 - 100 HD3 ARG 71 - HD3 ARG 71 OK 41 41 - 100 HD2 ARG 82 - HD2 ARG 82 OK 35 35 - 100 HD2 ARG 84 - HD2 ARG 84 OK 34 34 - 100 Reference assignment not found: HD3 ARG 26 - HD2 ARG 26 Peak 1407 from cnoeabs.peaks (4.07, 3.17, 43.10 ppm; 4.80 A): 5 out of 90 assignments used, quality = 1.00: * HA ARG 26 + HD3 ARG 26 OK 100 100 - 100 - 4.8=100 HA ARG 26 + HD2 ARG 26 OK 100 100 - 100 - 4.8=100 HA ARG 71 + HD3 ARG 71 OK 68 68 - 100 - 4.7=100 HA ARG 71 + HD3 ARG 26 OK 64 99 - 65 - 1391/3.0=10, ~1390=5...(25) HA ARG 71 + HD2 ARG 26 OK 64 99 - 65 - 1391/3.0=10, ~1390=5...(25) HA ARG 26 - HD3 ARG 71 OK 36 71 - 51 - 2929/3.0=10, 2921/3.0=6...(19) HA ARG 26 - HD3 ARG 27 OK 36 99 - 36 - 3.6/5382=6, 3.0/532=3...(12) HA ARG 26 - HD2 ARG 27 OK 36 99 - 36 - 3.6/5382=6, 3.0/532=3...(12) HA ALA 63 - HD3 ARG 66 OK 36 53 - 67 - 4691/6.2=17, 5370/3.0=14...(9) HA ALA 63 - HD2 ARG 66 OK 34 51 - 67 - 4691/6.2=17, 5370/3.0=14...(9) HA ARG 71 - HD3 ARG 66 OK 32 53 - 60 - 5167/3.0=7, 5395/3.0=5...(22) HA ARG 71 - HD2 ARG 66 OK 31 51 - 61 - 5167/3.0=7, 5395/3.0=5...(22) HA ARG 71 - HD2 ARG 17 OK 30 89 - 34 - 2902/1.8=3, 3.8/2934=2...(9) HA ARG 71 - HD3 ARG 17 OK 30 89 - 34 - 2902/1.8=3, 3.8/2934=2...(9) HA ARG 71 - HD3 ARG 27 OK 29 98 - 30 - 61/6.3=3, 1383/3.0=2...(8) HA ARG 71 - HD2 ARG 27 OK 29 98 - 30 - 61/6.3=3, 1383/3.0=2...(8) HA GLU 25 - HD3 ARG 26 OK 29 83 - 35 - 1391/3.0=7, 526/6.1=7...(13) HA GLU 25 - HD2 ARG 26 OK 29 83 - 35 - 1391/3.0=7, 526/6.1=7...(13) HA ARG 26 - HD3 ARG 66 OK 25 55 - 46 - 5167/3.0=5, 5395/3.0=5...(16) HA ALA 63 - HD3 ARG 26 OK 24 99 - 24 - 4686=5, 4686/1.8=4...(7) HA ARG 26 - HD2 ARG 66 OK 24 53 - 46 - 5167/3.0=5, 5395/3.0=5...(16) HA ALA 63 - HD2 ARG 26 OK 24 99 - 24 - 4686=5, 4686/1.8=4...(7) HA ARG 71 - HD3 ARG 23 OK 19 95 - 20 - 2902/1.8=1 HA ARG 71 - HD2 ARG 23 OK 19 95 - 20 - 2902/1.8=1 HA ARG 26 - HD2 ARG 17 OK 18 92 - 20 - 3.6/5382=2, 3.7/1396=2...(4) HA ARG 26 - HD3 ARG 17 OK 18 92 - 20 - 3.6/5382=2, 3.7/1396=2...(4) HA ARG 71 - HD3 ARG 70 OK 18 28 - 64 - ~307=7, 5395/3.0=7...(22) HA ALA 63 - HD3 ARG 71 OK 16 68 - 23 - 2929/3.0=4, 5369/3.5=3...(7) HA GLU 25 - HD2 ARG 27 OK 13 81 - 17 - 61/6.3=4, 3.6/532=3...(6) HA GLU 25 - HD3 ARG 27 OK 13 81 - 17 - 61/6.3=4, 3.6/532=3...(6) HA ARG 71 - HD3 ARG 84 OK 11 66 - 17 - 2902/1.8=2, 5394/2.9=1 HA VAL 90 - HD3 ARG 66 OK 11 53 - 21 - 3641/3.0=3, 5165/3.0=2...(8) HA VAL 90 - HD2 ARG 66 OK 11 51 - 21 - 3641/3.0=3, 5165/3.0=2...(8) HA ARG 26 - HD2 ARG 23 OK 11 97 - 11 - 3.6/5382=2 HA ARG 26 - HD3 ARG 23 OK 11 97 - 11 - 3.6/5382=2 HA ARG 71 - HD2 ARG 84 OK 10 60 - 17 - 2902/1.8=2, 5394/2.9=1 HA ALA 63 - HD3 ARG 27 lone 9 98 - 9 - 4686=2, 4686/1.8=1, 5369/3.5=1 HA ALA 63 - HD2 ARG 27 lone 9 98 - 9 - 4686=2, 4686/1.8=1, 5369/3.5=1 HA ALA 63 - HD3 ARG 17 lone 9 89 - 10 - 5783/5.6=3, 4686=2, 4686/1.8=2 HA ALA 63 - HD2 ARG 17 lone 9 89 - 10 - 5783/5.6=3, 4686=2, 4686/1.8=2 HA GLU 25 - HD3 ARG 71 poor 8 52 - 15 - 2929/3.0=4, 3.6/532=2...(5) HA ALA 63 - HD3 ARG 70 poor 8 28 - 27 - 4684/3.5=4, 4684/3.5=4...(10) HA ARG 26 - HD3 ARG 84 lone 6 68 - 9 - HA ALA 63 - HD2 ARG 23 lone 6 95 - 6 - 4686=1 HA ALA 63 - HD3 ARG 23 lone 6 95 - 6 - 4686=1 HA ARG 26 - HD2 ARG 84 lone 6 63 - 9 - HA VAL 90 - HD2 ARG 26 lone 6 99 - 5 - HA VAL 90 - HD3 ARG 26 lone 5 99 - 5 - HA ARG 26 - HD3 ARG 70 poor 5 29 - 18 - 5395/3.0=2, 5372/3.5=2 HA GLU 25 - HD3 ARG 17 lone 4 71 - 5 - 3.6/532=1 HA GLU 25 - HD2 ARG 17 lone 4 71 - 5 - 3.6/532=1 HA GLU 25 - HD3 ARG 66 lone 3 40 - 9 - 3.6/532=2 HA GLU 25 - HD2 ARG 66 lone 3 38 - 9 - 3.6/532=2 HA ALA 63 - HD3 ARG 84 lone 3 66 - 5 - HA GLU 25 - HD3 ARG 23 lone 3 77 - 4 - HA GLU 25 - HD2 ARG 23 lone 3 77 - 4 - HA GLU 59 - HD3 ARG 26 lone 3 73 - 4 - HA GLU 59 - HD2 ARG 26 lone 3 73 - 4 - HA ALA 63 - HD2 ARG 84 lone 3 60 - 5 - HA VAL 90 - HD2 ARG 27 lone 3 98 - 3 - HA VAL 90 - HD3 ARG 27 lone 3 98 - 3 - HA VAL 90 - HD3 ARG 71 lone 2 68 - 4 - HA ARG 71 - HD2 ARG 82 lone 2 59 - 3 - HA VAL 90 - HD3 ARG 17 lone 2 89 - 2 - HA VAL 90 - HD2 ARG 17 lone 2 89 - 2 - HA GLU 25 - HD3 ARG 84 lone 2 50 - 4 - HA VAL 90 - HD3 ARG 23 lone 2 95 - 2 - HA VAL 90 - HD2 ARG 23 lone 2 95 - 2 - HA GLU 25 - HD2 ARG 84 lone 2 45 - 4 - HA VAL 90 - HD3 ARG 84 lone 2 66 - 2 - HA ARG 26 - HD2 ARG 82 lone 2 62 - 2 - HA VAL 90 - HD2 ARG 84 lone 1 60 - 2 - HA ALA 63 - HD2 ARG 82 lone 1 59 - 2 - HA GLU 59 - HD2 ARG 27 lone 1 71 - 2 - HA GLU 59 - HD3 ARG 27 lone 1 71 - 2 - HA GLU 59 - HD3 ARG 17 lone 1 62 - 2 - HA GLU 59 - HD2 ARG 17 lone 1 62 - 2 - HA GLU 59 - HD3 ARG 71 lone 1 45 - 3 - HA GLU 59 - HD3 ARG 84 lone 1 43 - 3 - HA VAL 90 - HD2 ARG 82 lone 1 59 - 2 - HA GLU 59 - HD3 ARG 23 lone 1 68 - 2 - HA GLU 59 - HD2 ARG 23 lone 1 68 - 2 - HA GLU 59 - HD3 ARG 66 lone 1 34 - 3 - HA GLU 59 - HD2 ARG 84 lone 1 39 - 3 - HA GLU 59 - HD2 ARG 66 lone 1 32 - 3 - HA GLU 25 - HD3 ARG 70 lone 1 20 - 5 - HA VAL 90 - HD3 ARG 70 lone 1 28 - 3 - HA GLU 25 - HD2 ARG 82 lone 1 44 - 2 - HA GLU 59 - HD2 ARG 82 lone 1 38 - 2 - HA GLU 59 - HD3 ARG 70 lone 1 17 - 3 - Peak 1408 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 8 out of 225 assignments used, quality = 1.00: HB3 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) * HB2 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 27 + HD3 ARG 27 OK 49 66 - 75 - 3.5=59, 3.0/1421=2...(16) HB3 ARG 27 + HD2 ARG 27 OK 49 66 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 27 + HD2 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1420=2...(16) HB2 ARG 27 + HD3 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1420=2...(16) HB2 ARG 66 - HD3 ARG 66 OK 40 55 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB2 ARG 66 - HD2 ARG 66 OK 38 52 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB3 ARG 71 - HD3 ARG 71 OK 29 41 - 71 - 3.5=59, ~2902=2...(13) HB2 ARG 71 - HD3 ARG 71 OK 28 39 - 71 - 3.5=59, ~2902=2, ~2937=2...(13) HB3 ARG 71 - HD2 ARG 26 OK 24 68 - 35 - 1392/3.0=2, ~1391=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 24 68 - 35 - 1392/3.0=2, 2.8/2935=2...(4) HB2 ARG 71 - HD2 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 66 - HD2 ARG 26 OK 23 100 - 23 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD3 ARG 26 OK 23 65 - 35 - 1392/3.0=2, 2.8/2935=2...(4) HB2 ARG 66 - HD3 ARG 26 OK 22 100 - 22 - 1393/3.0=1, 2.8/2713=1 HB3 ARG 26 - HD2 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 71 OK 17 71 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 26 - HD3 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD2 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD3 ARG 71 OK 17 71 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB3 ARG 27 - HD2 ARG 26 OK 17 68 - 25 - 4.1/5382=1, 1392/3.0=1 HB3 ARG 27 - HD3 ARG 26 OK 17 68 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 26 - HD3 ARG 66 OK 17 55 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 17 55 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 27 - HD2 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 26 - HD2 ARG 66 OK 16 53 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 16 53 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 66 - HD3 ARG 70 OK 14 29 - 49 - ~2867=2, ~2866=2...(24) HB3 ARG 27 - HD3 ARG 23 OK 13 63 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 27 - HD2 ARG 23 OK 13 63 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD2 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD3 ARG 23 OK 13 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 26 - HD3 ARG 17 OK 10 92 - 11 - HB3 ARG 26 - HD2 ARG 17 OK 10 92 - 11 - HB2 ARG 26 - HD3 ARG 17 OK 10 92 - 11 - HB2 ARG 26 - HD2 ARG 17 OK 10 92 - 11 - HB3 ARG 71 - HD2 ARG 17 OK 10 57 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 OK 10 57 - 18 - ~2934=1 HB2 ARG 71 - HD2 ARG 17 poor 10 55 - 18 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 poor 10 55 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 27 poor 8 66 - 13 - HB3 ARG 71 - HD2 ARG 27 poor 8 66 - 13 - HB3 PRO 34 - HD3 ARG 26 lone 8 99 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 8 99 - 8 - HB2 ARG 71 - HD3 ARG 27 poor 8 64 - 13 - HB2 ARG 71 - HD2 ARG 27 poor 8 64 - 13 - HB3 ARG 71 - HD3 ARG 66 poor 8 31 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 ARG 71 - HD2 ARG 66 poor 8 30 - 26 - 2708/3.0=1, ~5167=1...(7) HB2 ARG 71 - HD3 ARG 66 poor 8 29 - 26 - 2708/3.0=1, ~5167=1...(6) HB2 ARG 71 - HD2 ARG 66 poor 7 28 - 26 - 2708/3.0=1, ~5167=1...(7) HB3 PRO 14 - HD3 ARG 66 poor 7 53 - 13 - 2708/3.0=1 HB3 PRO 14 - HD2 ARG 66 poor 7 51 - 13 - 2708/3.0=1 HB3 ARG 71 - HD2 ARG 23 poor 7 63 - 11 - HB3 ARG 71 - HD3 ARG 23 poor 7 63 - 11 - HB2 ARG 66 - HD2 ARG 27 lone 7 99 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 7 99 - 6 - HB2 ARG 71 - HD3 ARG 23 poor 6 61 - 11 - HB2 ARG 71 - HD2 ARG 23 poor 6 61 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 6 97 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 6 97 - 6 - HB3 ARG 26 - HD2 ARG 23 lone 6 97 - 6 - HB3 ARG 26 - HD3 ARG 23 lone 6 97 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 6 97 - 6 - HB2 ARG 26 - HD3 ARG 23 lone 6 97 - 6 - HB2 ARG 66 - HD3 ARG 71 lone 6 70 - 8 - HB2 MET 11 - HD3 ARG 66 poor 6 54 - 10 - 965/3.0=2 HB2 MET 11 - HD2 ARG 66 poor 5 52 - 10 - 965/3.0=2 HB3 ARG 27 - HD2 ARG 17 lone 5 57 - 9 - HB3 ARG 27 - HD3 ARG 17 lone 5 57 - 9 - HB2 ARG 27 - HD3 ARG 17 lone 5 55 - 9 - HB2 ARG 27 - HD2 ARG 17 lone 5 55 - 9 - HB ILE 68 - HD3 ARG 66 poor 5 44 - 12 - ~5251=1 HB ILE 68 - HD2 ARG 66 poor 5 42 - 12 - ~5251=1 HB3 ARG 27 - HD3 ARG 71 poor 4 41 - 11 - HB3 PRO 34 - HD3 ARG 71 lone 4 69 - 6 - HB2 ARG 27 - HD3 ARG 71 poor 4 39 - 11 - HB ILE 68 - HD3 ARG 71 lone 4 57 - 7 - ~5985=5 HB2 LYS 39 - HD2 ARG 23 lone 3 66 - 5 - HB2 LYS 39 - HD3 ARG 23 lone 3 66 - 5 - HB3 ARG 71 - HD3 ARG 84 lone 3 39 - 8 - HB2 ARG 66 - HD2 ARG 17 lone 3 91 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 3 91 - 3 - HB3 PRO 14 - HD2 ARG 26 lone 3 99 - 3 - HB3 PRO 14 - HD3 ARG 26 lone 3 99 - 3 - HB2 ARG 71 - HD3 ARG 84 lone 3 37 - 8 - HB3 ARG 71 - HD2 ARG 84 lone 3 36 - 8 - HB3 ARG 26 - HD3 ARG 84 lone 3 68 - 4 - HB2 ARG 26 - HD3 ARG 84 lone 3 68 - 4 - HB3 ARG 71 - HD3 ARG 70 poor 3 15 - 18 - 2.8/2935=1, 4.0/5833=1, ~2935=1 HB2 ARG 71 - HD2 ARG 84 lone 3 34 - 8 - HB2 ARG 71 - HD3 ARG 70 poor 3 15 - 18 - 2.8/2935=1, 4.0/5833=1, ~2935=1 HB3 ARG 26 - HD2 ARG 84 lone 3 63 - 4 - HB2 ARG 26 - HD2 ARG 84 lone 3 63 - 4 - HB ILE 68 - HD2 ARG 23 lone 3 83 - 3 - HB ILE 68 - HD3 ARG 23 lone 3 83 - 3 - HB3 ARG 27 - HD3 ARG 66 lone 3 31 - 8 - HB3 ARG 27 - HD2 ARG 66 lone 2 30 - 8 - HB2 ARG 27 - HD3 ARG 66 lone 2 29 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 2 28 - 8 - HB2 GLN 91 - HD3 ARG 26 lone 2 89 - 2 - HB2 GLN 91 - HD2 ARG 26 lone 2 89 - 2 - HB3 ARG 26 - HD3 ARG 70 lone 2 29 - 7 - HB2 ARG 26 - HD3 ARG 70 lone 2 29 - 7 - HB ILE 68 - HD3 ARG 26 lone 2 89 - 2 - HB ILE 68 - HD2 ARG 26 lone 2 89 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 98 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 98 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 100 - 1 - HB2 MET 11 - HD3 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 84 lone 1 41 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 1 37 - 3 - HB3 PRO 34 - HD3 ARG 66 lone 1 54 - 2 - HB3 PRO 34 - HD2 ARG 66 lone 1 52 - 2 - HB3 PRO 34 - HD2 ARG 23 lone 1 96 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 96 - 1 - HB3 GLU 87 - HD3 ARG 26 lone 1 63 - 1 - HB3 GLU 87 - HD2 ARG 26 lone 1 63 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 60 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 66 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 90 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 90 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 61 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 71 - 1 - HB ILE 68 - HD2 ARG 27 lone 1 87 - 1 - HB ILE 68 - HD3 ARG 27 lone 1 87 - 1 - HB3 PRO 14 - HD2 ARG 23 lone 1 95 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 1 95 - 1 - HG12 ILE 40 - HD3 ARG 66 lone 1 32 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 1 39 - 2 - HG12 ILE 40 - HD2 ARG 26 lone 1 71 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 1 71 - 1 - HB2 GLN 91 - HD2 ARG 27 lone 1 87 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 1 87 - 1 - HG12 ILE 40 - HD2 ARG 66 lone 1 31 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 1 37 - 2 - HB2 GLN 91 - HD3 ARG 23 lone 1 83 - 1 - HB2 GLN 91 - HD2 ARG 23 lone 1 83 - 1 - HB3 ARG 27 - HD2 ARG 84 lone 1 36 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 1 60 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 1 60 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 1 98 - 1 - HB3 PRO 14 - HD3 ARG 27 lone 1 98 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 69 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 69 - 1 - HB2 LYS 39 - HD2 ARG 82 lone 1 36 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 34 - 2 - HB2 ARG 66 - HD3 ARG 84 lone 0 67 - 1 - HB ILE 68 - HD2 ARG 82 lone 0 49 - 1 - HB ILE 68 - HD3 ARG 17 lone 0 77 - 1 - HB ILE 68 - HD2 ARG 17 lone 0 77 - 1 - HB2 MET 11 - HD2 ARG 27 lone 0 99 - 0 - HB2 MET 11 - HD3 ARG 27 lone 0 99 - 0 - HB2 ARG 66 - HD2 ARG 84 lone 0 62 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 32 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 62 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 62 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 0 31 - 1 - HB2 MET 11 - HD2 ARG 23 lone 0 96 - 0 - HB2 MET 11 - HD3 ARG 23 lone 0 96 - 0 - HB3 PRO 14 - HD3 ARG 70 lone 0 28 - 2 - HB2 LYS 39 - HD3 ARG 71 lone 0 43 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 61 - 1 - HB3 PRO 14 - HD2 ARG 17 lone 0 89 - 0 - HB3 PRO 14 - HD3 ARG 17 lone 0 89 - 0 - HB ILE 68 - HD3 ARG 70 lone 0 22 - 2 - HB3 GLU 87 - HD3 ARG 27 lone 0 61 - 1 - HB3 GLU 87 - HD2 ARG 27 lone 0 61 - 1 - HG12 ILE 40 - HD3 ARG 23 lone 0 66 - 1 - HG12 ILE 40 - HD2 ARG 23 lone 0 66 - 1 - HB2 MET 11 - HD2 ARG 17 lone 0 91 - 0 - HB2 MET 11 - HD3 ARG 17 lone 0 91 - 0 - HB3 ARG 71 - HD2 ARG 82 lone 0 35 - 1 - HB2 GLN 91 - HD2 ARG 17 lone 0 77 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 77 - 0 - HB3 PRO 14 - HD3 ARG 71 lone 0 68 - 0 - HB2 ARG 71 - HD2 ARG 82 lone 0 33 - 1 - HB3 ARG 27 - HD3 ARG 70 lone 0 15 - 2 - HG12 ILE 40 - HD2 ARG 27 lone 0 69 - 0 - HG12 ILE 40 - HD3 ARG 27 lone 0 69 - 0 - HB2 MET 11 - HD3 ARG 71 lone 0 70 - 0 - HB2 ARG 27 - HD3 ARG 70 lone 0 15 - 2 - HB ILE 68 - HD3 ARG 84 lone 0 54 - 1 - HB2 GLN 91 - HD3 ARG 66 lone 0 44 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 0 35 - 1 - HB3 PRO 14 - HD2 ARG 82 lone 0 59 - 0 - HB3 PRO 14 - HD3 ARG 84 lone 0 66 - 0 - HB2 GLN 91 - HD2 ARG 66 lone 0 42 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 0 33 - 1 - HB ILE 68 - HD2 ARG 84 lone 0 50 - 1 - HB3 GLU 87 - HD2 ARG 23 lone 0 58 - 0 - HB3 GLU 87 - HD3 ARG 23 lone 0 58 - 0 - HB3 PRO 14 - HD2 ARG 84 lone 0 60 - 0 - HG12 ILE 40 - HD2 ARG 17 lone 0 60 - 0 - HG12 ILE 40 - HD3 ARG 17 lone 0 60 - 0 - HB2 MET 11 - HD3 ARG 84 lone 0 67 - 0 - HB3 GLU 87 - HD2 ARG 17 lone 0 52 - 0 - HB3 GLU 87 - HD3 ARG 17 lone 0 52 - 0 - HB2 GLN 91 - HD3 ARG 71 lone 0 57 - 0 - HB2 MET 11 - HD2 ARG 84 lone 0 62 - 0 - HB2 GLN 91 - HD3 ARG 84 lone 0 54 - 0 - HB2 MET 11 - HD2 ARG 82 lone 0 60 - 0 - HB2 GLN 91 - HD2 ARG 82 lone 0 49 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 43 - 0 - HB2 GLN 91 - HD2 ARG 84 lone 0 50 - 0 - HB2 MET 11 - HD3 ARG 70 lone 0 28 - 1 - HB3 PRO 34 - HD3 ARG 70 lone 0 28 - 1 - HG12 ILE 40 - HD3 ARG 84 lone 0 41 - 0 - HB3 GLU 87 - HD3 ARG 71 lone 0 37 - 0 - HG12 ILE 40 - HD2 ARG 84 lone 0 37 - 0 - HB3 GLU 87 - HD3 ARG 66 lone 0 28 - 1 - HG12 ILE 40 - HD2 ARG 82 lone 0 36 - 0 - HB3 GLU 87 - HD2 ARG 66 lone 0 27 - 1 - HB3 GLU 87 - HD3 ARG 84 lone 0 36 - 0 - HB3 GLU 87 - HD2 ARG 84 lone 0 32 - 0 - HB3 GLU 87 - HD2 ARG 82 lone 0 32 - 0 - HB2 LYS 39 - HD3 ARG 70 lone 0 16 - 1 - HG12 ILE 40 - HD3 ARG 70 lone 0 16 - 1 - HB2 GLN 91 - HD3 ARG 70 lone 0 22 - 0 - HB3 GLU 87 - HD3 ARG 70 lone 0 14 - 0 - Peak 1409 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 2.96 A): 8 out of 240 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) * HB3 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD3 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB2 ARG 26 + HD2 ARG 26 OK 75 100 - 75 - 3.5=63, 3.9/532=2...(9) HB3 ARG 27 + HD3 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1421=2...(16) HB3 ARG 27 + HD2 ARG 27 OK 48 64 - 75 - 3.5=59, 3.0/1421=2...(16) HB2 ARG 27 + HD2 ARG 27 OK 46 61 - 75 - 3.5=59, 3.0/1420=2...(16) HB2 ARG 27 + HD3 ARG 27 OK 46 61 - 75 - 3.5=59, 3.0/1420=2...(16) HB2 ARG 66 - HD3 ARG 66 OK 40 54 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB2 ARG 66 - HD2 ARG 66 OK 38 52 - 73 - 3.4=63, ~2701=4, ~2707=3...(14) HB3 ARG 71 - HD3 ARG 71 OK 28 39 - 71 - 3.5=59, ~2902=2...(13) HB2 ARG 71 - HD3 ARG 71 OK 26 37 - 71 - 3.5=59, ~2902=2, ~2937=2...(13) HB3 ARG 71 - HD2 ARG 26 OK 23 65 - 35 - 1392/3.0=2, ~1391=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 23 65 - 35 - 1392/3.0=2, 2.8/2935=2...(4) HB2 ARG 66 - HD2 ARG 26 OK 23 100 - 23 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 66 - HD3 ARG 26 OK 22 100 - 22 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD2 ARG 26 OK 22 63 - 35 - 1392/3.0=2, ~1391=1...(4) HB2 ARG 71 - HD3 ARG 26 OK 22 63 - 35 - 1392/3.0=2, 2.8/2935=2...(4) HB3 ARG 26 - HD2 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB3 ARG 26 - HD3 ARG 71 OK 17 71 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 26 - HD3 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD2 ARG 27 OK 17 99 - 18 - 4.6/5382=2, 3.0/1396=1 HB2 ARG 26 - HD3 ARG 71 OK 17 71 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB2 ARG 26 - HD3 ARG 66 OK 17 55 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 17 55 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 27 - HD2 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 1392/3.0=1 HB3 ARG 27 - HD3 ARG 26 OK 16 65 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 26 - HD2 ARG 66 OK 16 53 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 16 53 - 30 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 27 - HD2 ARG 26 OK 16 63 - 25 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 26 OK 15 63 - 25 - 4.1/5382=1, 1392/3.0=1 HB2 ARG 66 - HD3 ARG 70 OK 14 28 - 49 - ~2867=2, ~2866=2...(24) HB3 ARG 27 - HD3 ARG 23 OK 12 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 27 - HD2 ARG 23 OK 12 61 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD3 ARG 23 OK 12 58 - 21 - ~1285=1, ~1287=1, ~1286=1 HB2 ARG 27 - HD2 ARG 23 OK 12 58 - 21 - ~1285=1, ~1287=1, ~1286=1 HB3 ARG 26 - HD3 ARG 17 OK 10 92 - 11 - HB3 ARG 26 - HD2 ARG 17 OK 10 92 - 11 - HB2 ARG 26 - HD2 ARG 17 OK 10 92 - 11 - HB2 ARG 26 - HD3 ARG 17 OK 10 92 - 11 - HB3 ARG 71 - HD2 ARG 17 poor 10 55 - 18 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 poor 10 55 - 18 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 poor 9 52 - 18 - ~2934=1 HB2 ARG 71 - HD2 ARG 17 poor 9 52 - 18 - ~2934=1 HB3 PRO 34 - HD3 ARG 26 lone 8 99 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 8 99 - 8 - HB3 ARG 71 - HD2 ARG 27 poor 8 64 - 13 - HB3 ARG 71 - HD3 ARG 27 poor 8 64 - 13 - HB2 ARG 71 - HD2 ARG 27 poor 8 61 - 13 - HB2 ARG 71 - HD3 ARG 27 poor 8 61 - 13 - HB3 ARG 71 - HD3 ARG 66 poor 8 29 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 ARG 71 - HD2 ARG 66 poor 7 28 - 26 - 2708/3.0=1, ~5167=1...(7) HB2 ARG 71 - HD3 ARG 66 poor 7 28 - 26 - 2708/3.0=1, ~5167=1...(6) HB3 PRO 14 - HD3 ARG 66 poor 7 54 - 13 - 2708/3.0=1 HB2 ARG 71 - HD2 ARG 66 poor 7 27 - 26 - 2708/3.0=1, ~5167=1...(7) HB3 PRO 14 - HD2 ARG 66 poor 7 52 - 13 - 2708/3.0=1 HB2 ARG 66 - HD2 ARG 27 lone 7 99 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 7 99 - 6 - HB3 ARG 71 - HD2 ARG 23 poor 6 61 - 11 - HB3 ARG 71 - HD3 ARG 23 poor 6 61 - 11 - HB2 ARG 66 - HD2 ARG 23 lone 6 96 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 6 96 - 6 - HB2 ARG 71 - HD3 ARG 23 poor 6 58 - 10 - HB2 ARG 71 - HD2 ARG 23 poor 6 58 - 10 - HB3 ARG 26 - HD2 ARG 23 lone 6 97 - 6 - HB3 ARG 26 - HD3 ARG 23 lone 6 97 - 6 - HB2 ARG 26 - HD3 ARG 23 lone 6 97 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 6 97 - 6 - HB2 ARG 66 - HD3 ARG 71 lone 6 70 - 8 - HB2 MET 11 - HD3 ARG 66 poor 6 55 - 10 - 965/3.0=2 HB2 MET 11 - HD2 ARG 66 poor 5 52 - 10 - 965/3.0=2 HB ILE 68 - HD3 ARG 66 poor 5 45 - 12 - ~5251=1 HB3 ARG 27 - HD3 ARG 17 lone 5 55 - 9 - HB3 ARG 27 - HD2 ARG 17 lone 5 55 - 9 - HB ILE 68 - HD2 ARG 66 poor 5 43 - 12 - ~5251=1 HB2 ARG 27 - HD2 ARG 17 lone 5 52 - 9 - HB2 ARG 27 - HD3 ARG 17 lone 5 52 - 9 - HB3 PRO 34 - HD3 ARG 71 lone 4 68 - 6 - HB3 ARG 27 - HD3 ARG 71 poor 4 39 - 11 - HB ILE 68 - HD3 ARG 71 lone 4 58 - 7 - ~5985=5 HB2 ARG 27 - HD3 ARG 71 poor 4 37 - 11 - HB2 LYS 39 - HD2 ARG 23 lone 3 63 - 5 - HB2 LYS 39 - HD3 ARG 23 lone 3 63 - 5 - HB2 ARG 66 - HD3 ARG 17 lone 3 91 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 3 91 - 3 - HB3 PRO 14 - HD2 ARG 26 lone 3 99 - 3 - HB3 PRO 14 - HD3 ARG 26 lone 3 99 - 3 - HB3 ARG 71 - HD3 ARG 84 lone 3 37 - 8 - HB2 ARG 71 - HD3 ARG 84 lone 3 36 - 8 - HB3 ARG 26 - HD3 ARG 84 lone 3 68 - 4 - HB2 ARG 26 - HD3 ARG 84 lone 3 68 - 4 - HB3 ARG 71 - HD2 ARG 84 lone 3 34 - 8 - HB3 ARG 71 - HD3 ARG 70 poor 3 15 - 18 - 2.8/2935=1, 4.0/5833=1, ~2935=1 HB ILE 68 - HD3 ARG 23 lone 3 85 - 3 - HB ILE 68 - HD2 ARG 23 lone 3 85 - 3 - HB2 ARG 71 - HD2 ARG 84 lone 3 32 - 8 - HB3 ARG 26 - HD2 ARG 84 lone 3 63 - 4 - HB2 ARG 26 - HD2 ARG 84 lone 3 63 - 4 - HB2 ARG 71 - HD3 ARG 70 poor 3 14 - 18 - 2.8/2935=1, 4.0/5833=1, ~2935=1 HB3 ARG 27 - HD3 ARG 66 lone 2 29 - 8 - HB3 ARG 27 - HD2 ARG 66 lone 2 28 - 8 - HB2 ARG 27 - HD3 ARG 66 lone 2 28 - 8 - HB2 GLN 91 - HD3 ARG 26 lone 2 90 - 2 - HB2 GLN 91 - HD2 ARG 26 lone 2 90 - 2 - HB2 ARG 27 - HD2 ARG 66 lone 2 27 - 8 - HB3 ARG 26 - HD3 ARG 70 lone 2 29 - 7 - HB2 ARG 26 - HD3 ARG 70 lone 2 29 - 7 - HB ILE 68 - HD3 ARG 26 lone 2 90 - 2 - HB ILE 68 - HD2 ARG 26 lone 2 90 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 98 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 98 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 100 - 1 - HB2 MET 11 - HD3 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 84 lone 1 39 - 3 - HB3 PRO 34 - HD3 ARG 66 lone 1 53 - 2 - HB2 LYS 39 - HD2 ARG 84 lone 1 36 - 3 - HB3 PRO 34 - HD2 ARG 66 lone 1 51 - 2 - HB2 GLU 19 - HD3 ARG 26 lone 1 60 - 2 - HB2 GLU 19 - HD2 ARG 26 lone 1 60 - 2 - HB3 PRO 34 - HD3 ARG 23 lone 1 95 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 95 - 1 - HB3 GLU 87 - HD3 ARG 26 lone 1 65 - 1 - HB3 GLU 87 - HD2 ARG 26 lone 1 65 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 59 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 66 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 89 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 89 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 60 - 1 - HB ILE 68 - HD2 ARG 27 lone 1 89 - 1 - HB ILE 68 - HD3 ARG 27 lone 1 89 - 1 - HG12 ILE 40 - HD3 ARG 66 lone 1 34 - 2 - HG12 ILE 40 - HD2 ARG 26 lone 1 73 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 1 73 - 1 - HB3 PRO 14 - HD2 ARG 23 lone 1 96 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 1 96 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 68 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 68 - 1 - HG12 ILE 40 - HD2 ARG 66 lone 1 32 - 2 - HB2 GLN 91 - HD2 ARG 27 lone 1 89 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 1 89 - 1 - HB3 ARG 27 - HD3 ARG 84 lone 1 37 - 2 - HB2 GLN 91 - HD2 ARG 23 lone 1 85 - 1 - HB2 GLN 91 - HD3 ARG 23 lone 1 85 - 1 - HB2 GLU 19 - HD2 ARG 17 lone 1 50 - 1 - HB2 GLU 19 - HD3 ARG 17 lone 1 50 - 1 - HB3 PRO 14 - HD3 ARG 27 lone 1 98 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 1 98 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 36 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 1 34 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 1 57 - 1 - HB2 LYS 39 - HD2 ARG 17 lone 1 57 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 66 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 66 - 1 - HB2 LYS 39 - HD2 ARG 82 lone 1 35 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 32 - 2 - HB2 ARG 66 - HD3 ARG 84 lone 0 67 - 1 - HB ILE 68 - HD2 ARG 82 lone 0 50 - 1 - HB ILE 68 - HD2 ARG 17 lone 0 78 - 1 - HB ILE 68 - HD3 ARG 17 lone 0 78 - 1 - HB2 MET 11 - HD2 ARG 27 lone 0 99 - 0 - HB2 MET 11 - HD3 ARG 27 lone 0 99 - 0 - HB2 ARG 66 - HD2 ARG 84 lone 0 62 - 1 - HB2 GLU 19 - HD3 ARG 27 lone 0 58 - 1 - HB2 GLU 19 - HD2 ARG 27 lone 0 58 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 62 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 62 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 0 31 - 1 - HB3 PRO 14 - HD3 ARG 70 lone 0 28 - 2 - HB2 MET 11 - HD3 ARG 23 lone 0 97 - 0 - HB2 MET 11 - HD2 ARG 23 lone 0 97 - 0 - HB2 LYS 39 - HD2 ARG 66 lone 0 30 - 1 - HB3 GLU 87 - HD3 ARG 27 lone 0 64 - 1 - HB3 GLU 87 - HD2 ARG 27 lone 0 64 - 1 - HB ILE 68 - HD3 ARG 70 lone 0 23 - 2 - HB3 PRO 14 - HD3 ARG 17 lone 0 90 - 0 - HB3 PRO 14 - HD2 ARG 17 lone 0 90 - 0 - HG12 ILE 40 - HD3 ARG 23 lone 0 68 - 1 - HG12 ILE 40 - HD2 ARG 23 lone 0 68 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 60 - 1 - HB2 LYS 39 - HD3 ARG 71 lone 0 41 - 1 - HB2 MET 11 - HD2 ARG 17 lone 0 91 - 0 - HB2 MET 11 - HD3 ARG 17 lone 0 91 - 0 - HB2 GLN 91 - HD2 ARG 17 lone 0 78 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 78 - 0 - HG12 ILE 40 - HD2 ARG 27 lone 0 71 - 0 - HG12 ILE 40 - HD3 ARG 27 lone 0 71 - 0 - HB3 PRO 14 - HD3 ARG 71 lone 0 69 - 0 - HB3 ARG 71 - HD2 ARG 82 lone 0 33 - 1 - HB2 GLU 19 - HD2 ARG 23 lone 0 55 - 1 - HB2 GLU 19 - HD3 ARG 23 lone 0 55 - 1 - HB ILE 68 - HD3 ARG 84 lone 0 56 - 1 - HB2 MET 11 - HD3 ARG 71 lone 0 70 - 0 - HB2 ARG 71 - HD2 ARG 82 lone 0 32 - 1 - HB3 ARG 27 - HD3 ARG 70 lone 0 15 - 2 - HB2 GLN 91 - HD3 ARG 66 lone 0 45 - 1 - HB3 PRO 14 - HD2 ARG 82 lone 0 60 - 0 - HB2 GLN 91 - HD2 ARG 66 lone 0 43 - 1 - HB2 ARG 27 - HD3 ARG 70 lone 0 14 - 2 - HB3 PRO 14 - HD3 ARG 84 lone 0 66 - 0 - HB ILE 68 - HD2 ARG 84 lone 0 51 - 1 - HB3 GLU 87 - HD3 ARG 23 lone 0 61 - 0 - HB3 GLU 87 - HD2 ARG 23 lone 0 61 - 0 - HB3 ARG 27 - HD2 ARG 82 lone 0 33 - 1 - HG12 ILE 40 - HD3 ARG 17 lone 0 62 - 0 - HG12 ILE 40 - HD2 ARG 17 lone 0 62 - 0 - HB2 ARG 27 - HD2 ARG 82 lone 0 32 - 1 - HB3 PRO 14 - HD2 ARG 84 lone 0 61 - 0 - HB3 GLU 87 - HD2 ARG 17 lone 0 55 - 0 - HB3 GLU 87 - HD3 ARG 17 lone 0 55 - 0 - HB2 MET 11 - HD3 ARG 84 lone 0 67 - 0 - HB2 GLN 91 - HD3 ARG 71 lone 0 58 - 0 - HB2 MET 11 - HD2 ARG 84 lone 0 62 - 0 - HB2 GLN 91 - HD3 ARG 84 lone 0 56 - 0 - HB2 GLN 91 - HD2 ARG 82 lone 0 50 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 45 - 0 - HB2 MET 11 - HD2 ARG 82 lone 0 61 - 0 - HB2 GLN 91 - HD2 ARG 84 lone 0 51 - 0 - HB2 MET 11 - HD3 ARG 70 lone 0 29 - 1 - HB2 GLU 19 - HD3 ARG 71 lone 0 35 - 1 - HG12 ILE 40 - HD3 ARG 84 lone 0 43 - 0 - HB3 PRO 34 - HD3 ARG 70 lone 0 28 - 1 - HB2 GLU 19 - HD3 ARG 84 lone 0 34 - 0 - HB3 GLU 87 - HD3 ARG 71 lone 0 39 - 0 - HB3 GLU 87 - HD3 ARG 66 lone 0 29 - 1 - HG12 ILE 40 - HD2 ARG 84 lone 0 39 - 0 - HG12 ILE 40 - HD2 ARG 82 lone 0 38 - 0 - HB2 GLU 19 - HD3 ARG 66 lone 0 27 - 1 - HB3 GLU 87 - HD2 ARG 66 lone 0 28 - 1 - HB2 GLU 19 - HD2 ARG 66 lone 0 25 - 1 - HB2 GLU 19 - HD2 ARG 84 lone 0 31 - 0 - HB3 GLU 87 - HD3 ARG 84 lone 0 37 - 0 - HB3 GLU 87 - HD2 ARG 84 lone 0 34 - 0 - HB3 GLU 87 - HD2 ARG 82 lone 0 33 - 0 - HB2 GLU 19 - HD2 ARG 82 lone 0 30 - 0 - HB2 LYS 39 - HD3 ARG 70 lone 0 15 - 1 - HG12 ILE 40 - HD3 ARG 70 lone 0 17 - 1 - HB2 GLN 91 - HD3 ARG 70 lone 0 23 - 0 - HB3 GLU 87 - HD3 ARG 70 lone 0 15 - 0 - HB2 GLU 19 - HD3 ARG 70 lone 0 13 - 0 - Peak 1410 from cnoeabs.peaks (1.62, 3.17, 43.10 ppm; 2.87 A): 11 out of 240 assignments used, quality = 1.00: * HG2 ARG 26 + HD3 ARG 26 OK 93 100 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD2 ARG 26 OK 93 100 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 27 + HD3 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 89 96 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 88 95 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 88 95 - 93 - 3.0=91, 1439/5.4=2...(5) HG3 ARG 17 + HD2 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=4...(9) HG3 ARG 17 + HD3 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 17 + HD3 ARG 17 OK 84 91 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 17 + HD2 ARG 17 OK 84 91 - 92 - 3.0=89, 1167/3.6=4...(9) HG2 ARG 71 + HD3 ARG 71 OK 64 71 - 90 - 3.0=88, 1159/3.5=2...(5) HG3 ARG 84 - HD3 ARG 84 OK 35 36 - 98 - 2.9=98, 3394/3.5=2...(10) HG2 ARG 84 - HD3 ARG 84 OK 35 36 - 98 - 2.9=98, 3394/3.5=2...(10) HG2 ARG 84 - HD2 ARG 84 OK 32 32 - 98 - 2.9=98, 3402/3.5=2...(10) HG3 ARG 84 - HD2 ARG 84 OK 32 32 - 98 - 2.9=98, 3402/3.5=2...(10) HG2 ARG 71 - HD2 ARG 26 OK 28 100 - 29 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 28 100 - 29 - 1394/3.0=3, 1.8/2935=2...(6) HG3 ARG 70 - HD3 ARG 70 OK 25 27 - 92 - 3.0=92, 2873/5.3=2, 771/6.3=1 HG3 ARG 70 - HD3 ARG 66 OK 18 52 - 35 - ~2871=2, ~2870=2...(11) HG2 ARG 27 - HD2 ARG 26 OK 18 97 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 97 - 18 - 1394/3.0=2 HG3 ARG 27 - HD2 ARG 26 OK 18 97 - 19 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 17 97 - 18 - 1394/3.0=2 HG3 ARG 70 - HD2 ARG 66 OK 17 50 - 35 - ~2871=2, 1.8/2871=2...(11) HG2 ARG 71 - HD3 ARG 17 OK 15 92 - 17 - ~2934=1, 2926/1.8=1 HG2 ARG 71 - HD2 ARG 17 OK 15 92 - 17 - ~2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 14 100 - 15 - 1394/3.0=2 HG2 ARG 17 - HD2 ARG 26 OK 14 100 - 15 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 14 100 - 14 - 1394/3.0=2 HG2 ARG 17 - HD3 ARG 26 OK 14 100 - 14 - 1394/3.0=1 HG2 ARG 26 - HD2 ARG 27 OK 12 99 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 12 99 - 12 - 1.8/1396=1 HG3 ARG 17 - HD3 ARG 71 OK 12 71 - 17 - 2932/3.0=2 HG2 ARG 17 - HD3 ARG 71 OK 12 70 - 17 - 2932/3.0=2 HG2 ARG 26 - HD3 ARG 71 OK 11 71 - 16 - 2932/3.0=3, ~1394=1, 1.8/1397=1 HG2 ARG 27 - HD2 ARG 23 OK 11 93 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 11 93 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 11 92 - 12 - HG3 ARG 27 - HD3 ARG 23 OK 11 92 - 12 - HG2 ARG 71 - HD2 ARG 27 OK 10 99 - 10 - HG2 ARG 71 - HD3 ARG 27 OK 10 99 - 10 - HG2 ARG 26 - HD3 ARG 66 poor 9 55 - 16 - 1.8/1396=1 HG2 ARG 71 - HD3 ARG 66 poor 9 55 - 16 - ~2935=1, 1.8/2935=1, 2927/1.8=1 HG2 ARG 26 - HD2 ARG 66 poor 9 53 - 16 - 1.8/1397=1, ~1396=1, ~1397=1 HG2 ARG 71 - HD2 ARG 66 poor 9 53 - 16 - 1.8/2935=1, ~2935=1, 2927/1.8=1 HG2 ARG 26 - HD2 ARG 17 lone 8 92 - 9 - HG2 ARG 26 - HD3 ARG 17 lone 8 92 - 9 - HG3 ARG 17 - HD3 ARG 27 lone 8 99 - 8 - HG3 ARG 17 - HD2 ARG 27 lone 8 99 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 99 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 99 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 97 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 97 - 8 - HG3 ARG 17 - HD2 ARG 23 lone 6 97 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 6 97 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 6 97 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 6 97 - 7 - HG3 ARG 70 - HD3 ARG 71 lone 6 67 - 9 - 2932/3.0=1, 778/5.8=1 HG2 ARG 27 - HD3 ARG 71 lone 6 66 - 9 - 2932/3.0=1 HD3 LYS 32 - HD3 ARG 71 lone 6 67 - 9 - 2932/3.0=1 HG3 ARG 27 - HD3 ARG 71 lone 6 65 - 9 - 2932/3.0=1 HD2 LYS 32 - HD3 ARG 71 lone 6 65 - 9 - HG2 ARG 27 - HD2 ARG 17 lone 6 87 - 7 - HG2 ARG 27 - HD3 ARG 17 lone 6 87 - 7 - HG3 ARG 27 - HD3 ARG 17 lone 6 86 - 7 - HG3 ARG 27 - HD2 ARG 17 lone 6 86 - 7 - HG3 ARG 70 - HD2 ARG 26 lone 5 98 - 5 - HG2 ARG 71 - HD3 ARG 70 poor 5 29 - 17 - 2869/3.0=2, ~2935=1...(4) HG3 ARG 70 - HD3 ARG 26 lone 5 98 - 5 - HG2 ARG 71 - HD3 ARG 84 lone 5 68 - 7 - HB2 LEU 86 - HD3 ARG 17 lone 5 89 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 5 89 - 5 - HG2 ARG 71 - HD2 ARG 84 lone 4 63 - 7 - HG3 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 63 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 62 - 6 - HG2 ARG 26 - HD3 ARG 23 lone 4 97 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 97 - 4 - HD3 LYS 32 - HD3 ARG 26 lone 4 98 - 4 - HD3 LYS 32 - HD2 ARG 26 lone 4 98 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 4 99 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 4 99 - 3 - HG2 ARG 27 - HD3 ARG 66 lone 4 51 - 7 - HD2 LYS 32 - HD3 ARG 26 lone 3 97 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 97 - 3 - HG3 ARG 27 - HD3 ARG 66 lone 3 50 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 3 49 - 7 - HD2 LYS 73 - HD3 ARG 71 lone 3 65 - 5 - HD3 LYS 73 - HD3 ARG 71 lone 3 65 - 5 - HG2 ARG 84 - HD3 ARG 17 lone 3 52 - 6 - HG3 ARG 84 - HD2 ARG 17 lone 3 52 - 6 - HG3 ARG 84 - HD3 ARG 17 lone 3 52 - 6 - HG2 ARG 84 - HD2 ARG 17 lone 3 52 - 6 - HG3 ARG 27 - HD2 ARG 66 lone 3 48 - 7 - HG3 ARG 84 - HD2 ARG 26 lone 3 63 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 63 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG LEU 86 - HD2 ARG 26 lone 3 76 - 3 - HG2 ARG 84 - HD3 ARG 71 lone 2 37 - 7 - HG3 ARG 84 - HD3 ARG 71 lone 2 37 - 7 - HG LEU 86 - HD3 ARG 26 lone 2 76 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 55 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 2 55 - 4 - HG LEU 86 - HD2 ARG 17 lone 2 64 - 3 - HG LEU 86 - HD3 ARG 17 lone 2 64 - 3 - HG3 ARG 17 - HD2 ARG 66 lone 2 53 - 4 - HG2 ARG 17 - HD2 ARG 66 lone 2 53 - 4 - HG3 ARG 70 - HD2 ARG 17 lone 2 88 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 88 - 2 - HD3 LYS 32 - HD3 ARG 84 lone 2 64 - 3 - HD3 LYS 32 - HD2 ARG 17 lone 2 88 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 88 - 2 - HB2 LEU 86 - HD3 ARG 84 lone 2 66 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 68 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 2 62 - 3 - HD2 LYS 32 - HD2 ARG 17 lone 2 86 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 86 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 2 97 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 2 97 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 2 97 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 2 97 - 2 - HD3 LYS 32 - HD2 ARG 84 lone 2 59 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 2 62 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 62 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 60 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 57 - 3 - HB2 LEU 86 - HD3 ARG 70 lone 2 28 - 6 - HG3 ARG 70 - HD2 ARG 27 lone 2 97 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 2 97 - 2 - HB2 LEU 86 - HD3 ARG 71 lone 2 68 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 2 98 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 2 98 - 2 - HD3 LYS 73 - HD2 ARG 84 lone 2 57 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 57 - 3 - HB2 LEU 86 - HD3 ARG 23 lone 1 95 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 95 - 1 - HD3 LYS 32 - HD3 ARG 70 lone 2 27 - 6 - HG3 ARG 17 - HD3 ARG 70 lone 1 29 - 5 - HG2 ARG 17 - HD3 ARG 70 lone 1 29 - 5 - HG2 ARG 26 - HD3 ARG 70 lone 1 29 - 5 - HD3 LYS 32 - HD3 ARG 27 lone 1 97 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 70 lone 1 26 - 6 - HD2 LYS 32 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 86 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 1 86 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 86 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 1 86 - 2 - HG3 ARG 70 - HD3 ARG 84 lone 1 64 - 2 - HG3 ARG 70 - HD2 ARG 84 lone 1 59 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 1 58 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 1 58 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 1 58 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 1 58 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 61 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 61 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 1 61 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 61 - 2 - HG LEU 86 - HD3 ARG 70 lone 1 18 - 6 - HB2 LEU 86 - HD3 ARG 66 lone 1 53 - 2 - HG LEU 86 - HD2 ARG 27 lone 1 74 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 74 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 51 - 2 - HG LEU 86 - HD3 ARG 84 lone 1 44 - 2 - HD3 LYS 32 - HD3 ARG 66 lone 1 52 - 2 - HG LEU 86 - HD3 ARG 23 lone 1 71 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 71 - 1 - HG LEU 86 - HD3 ARG 71 lone 1 46 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 50 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 50 - 2 - HD3 LYS 73 - HD3 ARG 70 lone 1 26 - 4 - HD2 LYS 73 - HD3 ARG 70 lone 1 26 - 4 - HG LEU 86 - HD2 ARG 84 lone 1 40 - 2 - HD2 LYS 32 - HD2 ARG 66 lone 1 48 - 2 - HG2 ARG 27 - HD3 ARG 84 lone 1 63 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 62 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 92 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 92 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 92 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 92 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 58 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 1 78 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 78 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 57 - 1 - HG LEU 86 - HD3 ARG 66 lone 1 35 - 2 - HG3 ARG 70 - HD2 ARG 23 lone 1 94 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 94 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 94 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 94 - 1 - HG2 ARG 27 - HD3 ARG 70 lone 1 27 - 3 - HD3 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 95 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 95 - 1 - HG LEU 86 - HD2 ARG 66 lone 1 34 - 2 - HG3 ARG 27 - HD3 ARG 70 lone 1 26 - 3 - HD2 LYS 32 - HD3 ARG 23 lone 1 92 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 92 - 1 - HG3 ARG 84 - HD3 ARG 70 lone 1 14 - 5 - HG2 ARG 84 - HD3 ARG 70 lone 1 14 - 5 - HG2 ARG 71 - HD2 ARG 82 lone 1 61 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 61 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 61 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 1 50 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 1 50 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 1 48 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 1 48 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 0 66 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 0 66 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 46 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 0 58 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 73 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 0 73 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 56 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 0 56 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 56 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 0 42 - 1 - HB3 LEU 51 - HD3 ARG 71 lone 0 48 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 62 - 1 - HB3 LEU 51 - HD3 ARG 27 lone 0 76 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 76 - 0 - HG2 ARG 27 - HD2 ARG 82 lone 0 57 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 0 56 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 37 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 0 32 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 0 32 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 35 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 0 58 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 59 - 0 - HG2 ARG 84 - HD3 ARG 66 lone 0 28 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 28 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 27 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 27 - 1 - HB3 LEU 51 - HD3 ARG 70 lone 0 19 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 0 41 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 40 - 0 - Peak 1411 from cnoeabs.peaks (1.75, 3.17, 43.10 ppm; 3.07 A): 5 out of 225 assignments used, quality = 1.00: * HG3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 - 3.0=100 HG3 ARG 26 + HD2 ARG 26 OK 100 100 - 100 - 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 71 91 - 78 - 3.6=63, 1167/3.0=5...(15) HB3 ARG 17 + HD3 ARG 17 OK 71 91 - 78 - 3.6=63, 1167/3.0=5...(15) HG3 ARG 71 + HD3 ARG 71 OK 70 70 - 100 - 3.0=100 HB2 ARG 84 - HD3 ARG 84 OK 36 46 - 78 - 3.5=67, 3380/2.9=5...(14) HG3 ARG 71 - HD2 ARG 26 OK 35 100 - 35 - 2932/3.0=3, 2935/1.8=3...(10) HG3 ARG 71 - HD3 ARG 26 OK 35 100 - 35 - 2932/3.0=3, 2929/4.8=3...(10) HB2 ARG 84 - HD2 ARG 84 OK 33 42 - 78 - 3.5=67, 3379/2.9=5...(14) HB3 ARG 82 - HD2 ARG 82 OK 33 49 - 67 - 3.6=60, 5479/3.0=8...(7) HG3 ARG 71 - HD3 ARG 17 OK 20 91 - 22 - 2934/1.8=2, 2932/3.0=2...(7) HG3 ARG 71 - HD2 ARG 17 OK 20 91 - 22 - 2934/1.8=2, 2932/3.0=2...(7) HG3 ARG 26 - HD3 ARG 27 OK 17 99 - 18 - 1394/3.0=2, 1394/3.0=2...(7) HG3 ARG 26 - HD2 ARG 27 OK 17 99 - 18 - 1394/3.0=2, 1394/3.0=2...(7) HB3 ARG 17 - HD2 ARG 26 OK 17 100 - 17 - HB3 ARG 17 - HD3 ARG 26 OK 17 100 - 17 - HG3 ARG 26 - HD3 ARG 71 OK 17 71 - 24 - 1394/3.0=4, 1391/4.7=3...(7) HB3 ARG 17 - HD3 ARG 71 OK 15 70 - 21 - 1164/3.5=2, 1164/3.5=1...(4) HG3 ARG 71 - HD2 ARG 27 OK 15 99 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HG3 ARG 71 - HD3 ARG 27 OK 15 99 - 15 - 2932/3.0=1, 2932/3.0=1...(6) HB3 ARG 17 - HD3 ARG 27 OK 14 99 - 15 - HB3 ARG 17 - HD2 ARG 27 OK 14 99 - 15 - HG3 ARG 26 - HD2 ARG 17 OK 12 92 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 26 - HD3 ARG 17 OK 12 92 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 26 - HD3 ARG 66 OK 12 55 - 21 - 1396=2, 1397/1.8=2, 1393/3.4=1 HG3 ARG 26 - HD2 ARG 66 OK 11 53 - 21 - 1397=2, 1396/1.8=2, 1393/3.4=1 HG3 ARG 71 - HD3 ARG 66 OK 11 55 - 19 - 2935/1.8=2, 2935=2 HG2 PRO 34 - HD3 ARG 26 OK 11 97 - 11 - 1723/3.5=1, 1723/3.5=1 HG2 PRO 34 - HD2 ARG 26 OK 10 97 - 11 - 1723/3.5=1, 1723/3.5=1 HG3 ARG 71 - HD2 ARG 66 OK 10 53 - 19 - 2935/1.8=2, 2935=2 HG3 ARG 71 - HD2 ARG 23 poor 10 97 - 10 - 2934/1.8=1 HG3 ARG 71 - HD3 ARG 23 poor 10 97 - 10 - 2934/1.8=1 HB2 LEU 62 - HD2 ARG 26 lone 10 100 - 10 - 3.1/5958=2, ~5958=1, 4678/4.8=1 HB2 LEU 62 - HD3 ARG 26 lone 10 100 - 10 - 3.1/5958=2, ~5958=1, 4678/4.8=1 HB3 ARG 17 - HD2 ARG 23 lone 9 96 - 9 - HB3 ARG 17 - HD3 ARG 23 lone 9 96 - 9 - HB3 ARG 82 - HD2 ARG 23 poor 9 83 - 10 - ~5889=1, ~5480=1 HB3 ARG 82 - HD3 ARG 23 poor 9 83 - 10 - ~5889=1, ~5480=1 HG2 PRO 34 - HD3 ARG 71 poor 7 65 - 11 - 1723/3.5=1, 1723/3.5=1 HB3 ARG 17 - HD3 ARG 84 lone 6 67 - 9 - HB2 ARG 84 - HD3 ARG 17 lone 6 66 - 9 - HB2 ARG 84 - HD2 ARG 17 lone 6 66 - 9 - HB3 ARG 17 - HD2 ARG 84 lone 6 62 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 6 68 - 8 - 2934/1.8=1 HG3 ARG 71 - HD2 ARG 84 lone 5 62 - 8 - 2934/1.8=1 HG3 ARG 71 - HD3 ARG 70 poor 5 29 - 18 - 2935/1.8=2, 2932/3.0=2...(6) HG3 ARG 26 - HD2 ARG 23 lone 5 97 - 5 - HG3 ARG 26 - HD3 ARG 23 lone 5 97 - 5 - HB2 ARG 84 - HD3 ARG 26 lone 4 78 - 5 - HB2 ARG 84 - HD2 ARG 26 lone 4 78 - 5 - HB3 LYS 32 - HD3 ARG 71 lone 4 43 - 9 - HB2 LYS 32 - HD3 ARG 71 lone 4 43 - 9 - HB2 ARG 84 - HD3 ARG 71 lone 4 48 - 7 - HB2 LEU 62 - HD3 ARG 71 lone 3 71 - 5 - HG2 PRO 34 - HD3 ARG 27 lone 3 95 - 3 - HG2 PRO 34 - HD2 ARG 27 lone 3 95 - 3 - HB2 LEU 62 - HD3 ARG 66 lone 3 55 - 5 - HB2 LEU 62 - HD3 ARG 17 lone 3 92 - 3 - HB2 LEU 62 - HD2 ARG 17 lone 3 92 - 3 - HB2 LEU 62 - HD2 ARG 66 lone 3 53 - 5 - HB2 LYS 32 - HD3 ARG 26 lone 3 71 - 4 - HB3 LYS 32 - HD3 ARG 26 lone 3 71 - 4 - HB2 LYS 32 - HD2 ARG 26 lone 3 71 - 4 - HB3 LYS 32 - HD2 ARG 26 lone 3 71 - 4 - HB2 LEU 62 - HD3 ARG 84 lone 3 68 - 4 - HB2 LEU 62 - HD3 ARG 23 lone 2 97 - 2 - HB2 LEU 62 - HD2 ARG 23 lone 2 97 - 2 - HG3 ARG 26 - HD3 ARG 84 lone 2 68 - 3 - HB2 LEU 62 - HD2 ARG 84 lone 2 63 - 4 - HB3 LYS 73 - HD3 ARG 84 lone 2 34 - 7 - HB3 LYS 85 - HD3 ARG 84 lone 2 39 - 6 - 3385/3.5=1, 6062/5.1=1 HG3 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 2 76 - 3 - HB2 ARG 84 - HD3 ARG 27 lone 2 76 - 3 - HB3 LYS 73 - HD2 ARG 84 lone 2 31 - 7 - HB3 LYS 85 - HD2 ARG 84 lone 2 36 - 6 - 3385/3.5=1, 6062/5.1=1 HB2 ARG 84 - HD3 ARG 23 lone 2 73 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 2 73 - 3 - HB2 LEU 62 - HD2 ARG 27 lone 2 99 - 2 - HB2 LEU 62 - HD3 ARG 27 lone 2 99 - 2 - HB3 ARG 82 - HD3 ARG 84 lone 2 54 - 4 - HB3 ARG 82 - HD3 ARG 17 lone 2 77 - 2 - HB3 ARG 82 - HD2 ARG 17 lone 2 77 - 2 - HB3 ARG 82 - HD2 ARG 84 lone 2 50 - 4 - HB2 LYS 32 - HD2 ARG 17 lone 2 60 - 3 - HB3 LYS 32 - HD3 ARG 17 lone 2 60 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 60 - 3 - HB2 LYS 32 - HD3 ARG 17 lone 2 60 - 3 - HB2 LYS 32 - HD3 ARG 84 lone 2 41 - 4 - HB3 LYS 32 - HD3 ARG 84 lone 2 41 - 4 - HB2 ARG 54 - HD2 ARG 82 lone 2 49 - 4 - HB3 LYS 73 - HD3 ARG 71 lone 2 35 - 5 - HB3 ARG 17 - HD3 ARG 66 lone 2 54 - 3 - HG3 ARG 26 - HD3 ARG 70 lone 2 29 - 5 - HB3 ARG 17 - HD2 ARG 66 lone 2 52 - 3 - HB3 LYS 32 - HD2 ARG 84 lone 2 37 - 4 - HB2 LYS 32 - HD2 ARG 84 lone 2 37 - 4 - HB2 LEU 43 - HD2 ARG 26 lone 2 73 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 2 73 - 2 - HB2 LEU 62 - HD3 ARG 70 lone 2 29 - 5 - HB2 LEU 57 - HD2 ARG 26 lone 1 87 - 2 - HB2 LEU 57 - HD3 ARG 26 lone 1 87 - 2 - HB3 LYS 32 - HD3 ARG 66 lone 1 32 - 4 - HB2 LYS 32 - HD3 ARG 66 lone 1 32 - 4 - HB3 ARG 82 - HD3 ARG 71 lone 1 57 - 2 - HG2 PRO 34 - HD3 ARG 23 lone 1 92 - 1 - HG2 PRO 34 - HD2 ARG 23 lone 1 92 - 1 - HB2 ARG 54 - HD3 ARG 23 lone 1 83 - 1 - HB2 ARG 54 - HD2 ARG 23 lone 1 83 - 1 - HB3 LYS 32 - HD2 ARG 66 lone 1 31 - 4 - HB2 LYS 32 - HD2 ARG 66 lone 1 31 - 4 - HB2 LEU 43 - HD3 ARG 66 lone 1 34 - 4 - HB3 ARG 82 - HD2 ARG 27 lone 1 87 - 1 - HB3 ARG 82 - HD3 ARG 27 lone 1 87 - 1 - HB2 LYS 32 - HD3 ARG 27 lone 1 69 - 2 - HB3 LYS 32 - HD2 ARG 27 lone 1 69 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 69 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 69 - 2 - HG2 PRO 34 - HD2 ARG 82 lone 1 56 - 2 - HB2 LEU 43 - HD2 ARG 66 lone 1 32 - 4 - HB2 LYS 32 - HD3 ARG 70 lone 1 16 - 8 - HB3 LYS 32 - HD3 ARG 70 lone 1 16 - 8 - HB3 ARG 82 - HD3 ARG 26 lone 1 89 - 1 - HB3 ARG 82 - HD2 ARG 26 lone 1 89 - 1 - HG2 PRO 34 - HD3 ARG 17 lone 1 86 - 1 - HG2 PRO 34 - HD2 ARG 17 lone 1 86 - 1 - HB3 LYS 73 - HD2 ARG 17 lone 1 50 - 2 - HB3 LYS 73 - HD3 ARG 17 lone 1 50 - 2 - HB2 ARG 54 - HD3 ARG 84 lone 1 54 - 2 - HB3 LYS 73 - HD3 ARG 26 lone 1 60 - 2 - HB3 LYS 73 - HD2 ARG 26 lone 1 60 - 2 - HG2 PRO 34 - HD3 ARG 66 lone 1 50 - 2 - HB2 LEU 57 - HD2 ARG 23 lone 1 82 - 1 - HB2 LEU 57 - HD3 ARG 23 lone 1 82 - 1 - HB2 ARG 54 - HD2 ARG 84 lone 1 50 - 2 - HB2 ARG 54 - HD2 ARG 26 lone 1 89 - 1 - HB2 LEU 57 - HD3 ARG 66 lone 1 42 - 2 - HB2 ARG 54 - HD3 ARG 26 lone 1 89 - 1 - HG2 PRO 34 - HD2 ARG 66 lone 1 48 - 2 - HG3 ARG 71 - HD2 ARG 82 lone 1 61 - 1 - HB2 LEU 57 - HD2 ARG 66 lone 1 40 - 2 - HB3 ARG 17 - HD3 ARG 70 lone 1 28 - 3 - HB2 LEU 57 - HD2 ARG 27 lone 1 85 - 1 - HB2 LEU 57 - HD3 ARG 27 lone 1 85 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 71 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 1 71 - 1 - HB ILE 33 - HD3 ARG 26 lone 1 83 - 1 - HB ILE 33 - HD2 ARG 26 lone 1 83 - 1 - HB2 LEU 57 - HD3 ARG 70 lone 1 22 - 4 - HG2 PRO 34 - HD3 ARG 84 lone 1 62 - 1 - HB3 LYS 73 - HD3 ARG 23 lone 1 55 - 1 - HB3 LYS 73 - HD2 ARG 23 lone 1 55 - 1 - HB3 LYS 73 - HD2 ARG 82 lone 1 30 - 3 - HB3 LYS 85 - HD3 ARG 17 lone 1 57 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 57 - 1 - HB3 ARG 17 - HD2 ARG 82 lone 1 60 - 1 - HB2 ARG 54 - HD3 ARG 71 lone 1 57 - 1 - HG2 PRO 34 - HD2 ARG 84 lone 1 57 - 1 - HB2 ARG 54 - HD3 ARG 17 lone 1 77 - 1 - HB2 ARG 54 - HD2 ARG 17 lone 1 77 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 1 68 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 1 68 - 1 - HB2 ARG 84 - HD2 ARG 82 lone 1 41 - 2 - HB2 LYS 32 - HD2 ARG 82 lone 1 36 - 2 - HB3 LYS 32 - HD2 ARG 82 lone 1 36 - 2 - HB3 LYS 85 - HD3 ARG 71 lone 1 41 - 2 - HB2 LEU 43 - HD3 ARG 84 lone 1 43 - 2 - HB ILE 33 - HD3 ARG 27 lone 1 81 - 1 - HB ILE 33 - HD2 ARG 27 lone 1 81 - 1 - HB2 LEU 57 - HD3 ARG 71 lone 1 55 - 1 - HB2 ARG 54 - HD3 ARG 27 lone 1 87 - 1 - HB2 ARG 54 - HD2 ARG 27 lone 1 87 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 68 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 68 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 1 62 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 1 62 - 1 - HB2 LEU 43 - HD2 ARG 84 lone 1 39 - 2 - HB3 LYS 73 - HD3 ARG 27 lone 1 58 - 1 - HB3 LYS 73 - HD2 ARG 27 lone 1 58 - 1 - HB2 ARG 84 - HD3 ARG 70 lone 1 19 - 3 - HB2 LEU 43 - HD3 ARG 71 lone 1 45 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 1 66 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 1 66 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 1 66 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 1 66 - 1 - HB ILE 33 - HD2 ARG 23 lone 1 77 - 1 - HB ILE 33 - HD3 ARG 23 lone 1 77 - 1 - HB2 LEU 57 - HD3 ARG 17 lone 1 75 - 1 - HB2 LEU 57 - HD2 ARG 17 lone 1 75 - 1 - HB3 ARG 82 - HD3 ARG 66 lone 1 44 - 1 - HB3 ARG 82 - HD2 ARG 66 lone 1 42 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 1 62 - 1 - HB ILE 33 - HD3 ARG 66 lone 1 40 - 1 - HB ILE 33 - HD2 ARG 17 lone 1 71 - 1 - HB ILE 33 - HD3 ARG 17 lone 1 71 - 1 - HB ILE 33 - HD2 ARG 66 lone 1 38 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 0 66 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 0 66 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 0 61 - 1 - HB ILE 33 - HD3 ARG 71 lone 0 52 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 0 63 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 0 63 - 1 - HB2 LEU 57 - HD2 ARG 82 lone 0 47 - 1 - HB ILE 33 - HD2 ARG 82 lone 0 44 - 1 - HB2 LEU 57 - HD3 ARG 84 lone 0 53 - 1 - HB2 ARG 54 - HD3 ARG 70 lone 0 22 - 2 - HB2 LEU 57 - HD2 ARG 84 lone 0 48 - 1 - HB2 LEU 43 - HD3 ARG 70 lone 0 17 - 2 - HB2 ARG 84 - HD3 ARG 66 lone 0 37 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 0 35 - 1 - HB3 LYS 85 - HD2 ARG 82 lone 0 35 - 1 - HB2 ARG 54 - HD3 ARG 66 lone 0 44 - 1 - HB3 LYS 73 - HD3 ARG 70 lone 0 13 - 2 - HB2 ARG 54 - HD2 ARG 66 lone 0 42 - 1 - HB ILE 33 - HD3 ARG 84 lone 0 50 - 1 - HB3 LYS 85 - HD3 ARG 70 lone 0 15 - 2 - HB ILE 33 - HD2 ARG 84 lone 0 45 - 1 - HB3 ARG 82 - HD3 ARG 70 lone 0 22 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 0 38 - 1 - HB3 LYS 73 - HD3 ARG 66 lone 0 27 - 1 - HB3 LYS 73 - HD2 ARG 66 lone 0 25 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 0 31 - 1 - HG2 PRO 34 - HD3 ARG 70 lone 0 26 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 0 30 - 1 - HB ILE 33 - HD3 ARG 70 lone 0 20 - 1 - Peak 1412 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 9 out of 14 assignments used, quality = 1.00: HD3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 99 99 - 100 HD2 ARG 27 + HD2 ARG 27 OK 99 99 - 100 HD2 ARG 23 + HD2 ARG 23 OK 94 94 - 100 HD3 ARG 23 + HD3 ARG 23 OK 94 94 - 100 HD2 ARG 17 + HD2 ARG 17 OK 82 82 - 100 HD3 ARG 17 + HD3 ARG 17 OK 82 82 - 100 HD3 ARG 66 + HD3 ARG 66 OK 48 48 - 100 HD2 ARG 66 - HD2 ARG 66 OK 44 44 - 100 HD3 ARG 84 - HD3 ARG 84 OK 41 41 - 100 HD3 ARG 71 - HD3 ARG 71 OK 41 41 - 100 HD2 ARG 82 - HD2 ARG 82 OK 35 35 - 100 HD2 ARG 84 - HD2 ARG 84 OK 34 34 - 100 Reference assignment not found: HD2 ARG 26 - HD3 ARG 26 Peak 1413 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 10 out of 15 assignments used, quality = 1.00: * HD3 ARG 26 + HD3 ARG 26 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 98 98 - 100 HD2 ARG 27 + HD2 ARG 27 OK 98 98 - 100 HD2 ARG 23 + HD2 ARG 23 OK 93 93 - 100 HD3 ARG 23 + HD3 ARG 23 OK 93 93 - 100 HD2 ARG 17 + HD2 ARG 17 OK 80 80 - 100 HD3 ARG 17 + HD3 ARG 17 OK 80 80 - 100 HD3 ARG 66 + HD3 ARG 66 OK 49 49 - 100 HD2 ARG 66 + HD2 ARG 66 OK 45 45 - 100 HD3 ARG 71 - HD3 ARG 71 OK 43 43 - 100 HD3 ARG 84 - HD3 ARG 84 OK 39 39 - 100 HD2 ARG 82 - HD2 ARG 82 OK 33 33 - 100 HD2 ARG 84 - HD2 ARG 84 OK 32 32 - 100 HD3 ARG 70 - HD3 ARG 70 OK 13 13 - 100 Peak 1414 from cnoeabs.peaks (8.18, 4.12, 58.29 ppm; 3.38 A): 1 out of 21 assignments used, quality = 1.00: * H ARG 27 + HA ARG 27 OK 100 100 - 100 - 3.0=100 H GLU 25 - HA GLU 25 OK 36 36 - 100 - 2.9=100 H GLU 25 - HA ARG 27 OK 20 76 - 26 - 4.6/5345=5, 4.6/43=4...(9) H ILE 89 - HA ARG 27 OK 19 100 - 19 - 409=5, 3.5/3587=3...(6) H ARG 27 - HA GLU 25 OK 18 56 - 32 - 5380/3.6=14, 534=6...(5) H ARG 27 - HA ARG 23 OK 17 74 - 23 - 534=6, 903/3.6=2, ~508=2...(7) H GLU 25 - HA ARG 23 poor 7 49 - 14 - 50/3.6=9, 4.5/5524=1, 4.6/5345=1 H ILE 89 - HA ARG 23 lone 5 73 - 7 - 409=2 H ARG 84 - HA ARG 27 lone 3 81 - 3 - H ILE 89 - HA GLU 25 lone 2 55 - 4 - H THR 15 - HA GLU 25 lone 2 31 - 6 - 11/4.1=2 H THR 15 - HA ARG 27 lone 1 68 - 2 - H ARG 84 - HA ARG 23 lone 1 53 - 2 - H LEU 57 - HA ARG 27 lone 1 65 - 2 - H ARG 84 - HA GLU 25 lone 1 38 - 3 - H ASN 74 - HA ARG 27 lone 1 68 - 1 - H THR 15 - HA ARG 23 lone 1 43 - 2 - H ASN 74 - HA GLU 25 lone 1 31 - 2 - H ASN 74 - HA ARG 23 lone 0 43 - 1 - H LEU 57 - HA ARG 23 lone 0 41 - 1 - H LEU 57 - HA GLU 25 lone 0 30 - 1 - Peak 1415 from cnoeabs.peaks (4.12, 4.12, 58.29 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ARG 27 + HA ARG 27 OK 100 100 - 100 HA ARG 23 + HA ARG 23 OK 68 68 - 100 HA GLU 25 - HA GLU 25 OK 30 30 - 100 Peak 1416 from cnoeabs.peaks (1.85, 4.12, 58.29 ppm; 2.88 A): 4 out of 42 assignments used, quality = 1.00: * HB2 ARG 27 + HA ARG 27 OK 95 100 - 95 - 3.0=91, 4.3/69=7...(18) HB3 ARG 27 + HA ARG 27 OK 95 100 - 95 - 3.0=91, 4.3/69=7...(18) HB3 ARG 23 + HA ARG 23 OK 67 73 - 92 - 3.0=90, 3.0/1285=10...(9) HB2 ARG 23 + HA ARG 23 OK 67 73 - 92 - 3.0=90, 3.0/1285=10...(9) HB2 ARG 26 - HA ARG 27 OK 22 65 - 34 - 3.9/5345=5, 62/3.0=3...(13) HB3 ARG 23 - HA ARG 27 OK 22 100 - 22 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 23 - HA ARG 27 OK 22 99 - 22 - 3.0/1285=4, 4.2/43=3...(7) HB3 ARG 26 - HA ARG 27 OK 21 63 - 34 - 3.9/5345=5, 62/3.0=3...(13) HB2 ARG 71 - HA ARG 27 OK 18 100 - 18 - 536/3.0=2, 1423=1, ~65=1 HB3 ARG 71 - HA ARG 27 OK 17 100 - 17 - 536/3.0=2, 1423=1, ~65=1 HB2 ARG 27 - HA ARG 23 OK 13 74 - 18 - 45/3.6=2, 4.1/534=1...(7) HB3 ARG 27 - HA ARG 23 OK 13 74 - 18 - 45/3.6=2, 4.1/534=1...(7) HB ILE 89 - HA ARG 27 poor 9 60 - 16 - 2.9/4807=3, ~5521=2...(7) HB2 ARG 17 - HA ARG 27 lone 9 95 - 10 - HB2 ARG 27 - HA GLU 25 poor 7 56 - 13 - 4.3/5347=2, 4.1/534=1 HB3 ARG 27 - HA GLU 25 poor 7 56 - 13 - 4.3/5347=2, 4.1/534=1 HB2 ARG 26 - HA GLU 25 poor 5 30 - 18 - 3.9/55=3, ~5926=2...(6) HB3 ARG 26 - HA GLU 25 poor 5 28 - 18 - 3.9/55=3, ~5926=2...(6) HB2 ARG 71 - HA ARG 23 lone 5 74 - 6 - HB3 ARG 71 - HA ARG 23 lone 5 74 - 6 - HB3 ARG 71 - HA GLU 25 lone 4 56 - 7 - HB2 ARG 71 - HA GLU 25 lone 4 56 - 7 - HB2 LYS 39 - HA ARG 23 lone 4 74 - 5 - HB3 PRO 34 - HA ARG 27 lone 3 81 - 4 - HB2 ARG 66 - HA ARG 27 lone 3 76 - 4 - HB2 LYS 39 - HA ARG 27 lone 2 100 - 2 - HB2 ARG 17 - HA ARG 23 lone 2 66 - 3 - HB2 LYS 75 - HA ARG 27 lone 2 97 - 2 - HB2 ARG 26 - HA ARG 23 lone 2 41 - 5 - 4.6/534=1, 3.9/5345=1 HB3 ARG 26 - HA ARG 23 lone 2 40 - 5 - 4.6/534=1, 3.9/5345=1 HB2 LYS 75 - HA ARG 23 lone 2 69 - 2 - HB2 ARG 66 - HA ARG 23 lone 2 49 - 3 - HB3 ARG 23 - HA GLU 25 lone 1 55 - 2 - HB2 ARG 23 - HA GLU 25 lone 1 54 - 2 - HB ILE 89 - HA ARG 23 lone 1 38 - 3 - HB ILE 89 - HA GLU 25 lone 1 27 - 3 - HB2 ARG 66 - HA GLU 25 lone 1 36 - 2 - HB2 ARG 17 - HA GLU 25 lone 1 48 - 1 - HB3 PRO 34 - HA ARG 23 lone 1 53 - 1 - HB2 LYS 75 - HA GLU 25 lone 0 51 - 1 - HB2 LYS 39 - HA GLU 25 lone 0 56 - 1 - HB3 PRO 34 - HA GLU 25 lone 0 38 - 1 - Peak 1417 from cnoeabs.peaks (1.85, 4.12, 58.29 ppm; 2.88 A): 4 out of 39 assignments used, quality = 1.00: HB2 ARG 27 + HA ARG 27 OK 95 100 - 95 - 3.0=91, 4.3/69=7...(18) * HB3 ARG 27 + HA ARG 27 OK 95 100 - 95 - 3.0=91, 4.3/69=7...(18) HB3 ARG 23 + HA ARG 23 OK 67 73 - 92 - 3.0=90, 3.0/1285=10...(9) HB2 ARG 23 + HA ARG 23 OK 66 72 - 92 - 3.0=90, 3.0/1285=10...(9) HB2 ARG 26 - HA ARG 27 OK 23 68 - 34 - 3.9/5345=5, 62/3.0=3...(13) HB3 ARG 26 - HA ARG 27 OK 22 65 - 34 - 3.9/5345=5, 62/3.0=3...(13) HB3 ARG 23 - HA ARG 27 OK 22 99 - 22 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 23 - HA ARG 27 OK 22 99 - 22 - 3.0/1285=4, 4.2/43=3...(7) HB2 ARG 71 - HA ARG 27 OK 18 100 - 18 - 536/3.0=2, 1423=1, ~65=1 HB3 ARG 71 - HA ARG 27 OK 17 100 - 17 - 536/3.0=2, 1423=1, ~65=1 HB3 ARG 27 - HA ARG 23 OK 13 74 - 18 - 45/3.6=2, 4.1/534=1...(7) HB2 ARG 27 - HA ARG 23 OK 13 74 - 18 - 45/3.6=2, 4.1/534=1...(7) HB2 ARG 17 - HA ARG 27 lone 9 93 - 10 - HB3 ARG 27 - HA GLU 25 poor 7 56 - 13 - 4.3/5347=2, 4.1/534=1, 527/3.6=1 HB2 ARG 27 - HA GLU 25 poor 7 56 - 13 - 4.3/5347=2, 4.1/534=1 HB2 ARG 26 - HA GLU 25 poor 6 31 - 18 - 3.9/55=3, ~5926=2...(6) HB3 ARG 26 - HA GLU 25 poor 5 30 - 18 - 3.9/55=3, ~5926=2...(6) HB3 ARG 71 - HA ARG 23 lone 5 74 - 6 - HB2 ARG 71 - HA ARG 23 lone 5 74 - 6 - HB3 ARG 71 - HA GLU 25 lone 4 56 - 7 - HB2 ARG 71 - HA GLU 25 lone 4 56 - 7 - HB2 LYS 39 - HA ARG 23 lone 4 74 - 5 - HB3 PRO 34 - HA ARG 27 lone 3 83 - 4 - HB2 ARG 66 - HA ARG 27 lone 3 78 - 4 - HB2 LYS 39 - HA ARG 27 lone 2 100 - 2 - HB2 ARG 26 - HA ARG 23 lone 2 43 - 5 - 4.6/534=1, 3.9/5345=1 HB2 LYS 75 - HA ARG 27 lone 2 97 - 2 - HB2 ARG 17 - HA ARG 23 lone 2 64 - 3 - HB3 ARG 26 - HA ARG 23 lone 2 41 - 5 - 4.6/534=1, 3.9/5345=1 HB2 LYS 75 - HA ARG 23 lone 2 68 - 2 - HB2 ARG 66 - HA ARG 23 lone 2 51 - 3 - HB3 ARG 23 - HA GLU 25 lone 1 54 - 2 - HB2 ARG 23 - HA GLU 25 lone 1 54 - 2 - HB2 ARG 66 - HA GLU 25 lone 1 37 - 2 - HB2 ARG 17 - HA GLU 25 lone 1 47 - 1 - HB3 PRO 34 - HA ARG 23 lone 1 55 - 1 - HB2 LYS 75 - HA GLU 25 lone 0 50 - 1 - HB2 LYS 39 - HA GLU 25 lone 0 56 - 1 - HB3 PRO 34 - HA GLU 25 lone 0 40 - 1 - Peak 1418 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.41 A): 2 out of 39 assignments used, quality = 0.99: HG3 ARG 27 + HA ARG 27 OK 89 100 - 89 - 3.8=75, 1.8/1447=8...(30) * HG2 ARG 27 + HA ARG 27 OK 89 100 - 89 - 3.8=75, 1.8/1447=8...(30) HG2 ARG 26 - HA ARG 27 OK 36 97 - 37 - 4.9/5345=5, 1439=4...(15) HG2 ARG 71 - HA ARG 27 OK 18 96 - 19 - ~65=2, 537/3.0=2...(4) HG3 ARG 17 - HA ARG 27 OK 17 96 - 18 - 1439=2, 537/3.0=2, 1.8/1439=1 HG2 ARG 17 - HA ARG 27 OK 17 95 - 18 - 1439=2, 537/3.0=2, 1.8/1439=1 HG2 ARG 27 - HA ARG 23 OK 11 74 - 14 - 1447=2, 5.0/534=2, 1.8/1447=1 HG3 ARG 27 - HA ARG 23 OK 11 74 - 14 - 1447=2, 5.0/534=2, 1.8/1447=1 HG2 ARG 26 - HA GLU 25 poor 10 51 - 20 - 529/3.6=4, ~5926=4...(7) HG2 ARG 27 - HA GLU 25 poor 8 56 - 15 - 529/3.6=2, 5.0/534=2...(4) HG3 ARG 27 - HA GLU 25 poor 8 56 - 15 - 529/3.6=2, 5.0/534=2...(6) HD3 LYS 32 - HA ARG 27 lone 6 85 - 7 - 72/3.6=1, ~5520=1 HD2 LYS 32 - HA ARG 27 lone 6 81 - 7 - 72/3.6=1, ~5520=1 HG2 ARG 71 - HA GLU 25 lone 4 50 - 9 - 529/3.6=2 HG2 ARG 71 - HA ARG 23 lone 4 67 - 6 - HG2 ARG 26 - HA ARG 23 lone 4 69 - 5 - 4.9/5345=1 HG3 ARG 17 - HA ARG 23 lone 3 67 - 5 - HG2 ARG 17 - HA ARG 23 lone 3 66 - 5 - HB2 LEU 86 - HA ARG 27 lone 3 89 - 3 - HB3 GLN 61 - HA ARG 27 lone 2 63 - 3 - HG3 ARG 70 - HA ARG 27 lone 2 85 - 2 - HD3 LYS 73 - HA ARG 27 lone 2 81 - 2 - HD2 LYS 73 - HA ARG 27 lone 2 81 - 2 - HG3 ARG 17 - HA GLU 25 lone 2 50 - 3 - HG2 ARG 17 - HA GLU 25 lone 2 48 - 3 - HB2 LEU 86 - HA GLU 25 lone 1 44 - 3 - HB3 GLN 61 - HA ARG 23 lone 1 40 - 3 - HG3 ARG 70 - HA GLU 25 lone 1 41 - 2 - HD3 LYS 32 - HA GLU 25 lone 1 41 - 2 - HD2 LYS 32 - HA GLU 25 lone 1 38 - 2 - HB3 GLN 61 - HA GLU 25 lone 1 28 - 3 - HD3 LYS 73 - HA ARG 23 lone 1 53 - 1 - HD2 LYS 73 - HA ARG 23 lone 1 53 - 1 - HG3 ARG 70 - HA ARG 23 lone 1 56 - 1 - HB2 LEU 86 - HA ARG 23 lone 1 60 - 1 - HD3 LYS 32 - HA ARG 23 lone 1 56 - 1 - HD2 LYS 32 - HA ARG 23 lone 1 53 - 1 - HD2 LYS 73 - HA GLU 25 lone 1 38 - 1 - HD3 LYS 73 - HA GLU 25 lone 1 38 - 1 - Peak 1419 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.41 A): 2 out of 39 assignments used, quality = 0.99: * HG3 ARG 27 + HA ARG 27 OK 89 100 - 89 - 3.8=75, 1.8/1447=8...(30) HG2 ARG 27 + HA ARG 27 OK 89 100 - 89 - 3.8=75, 1.8/1447=8...(30) HG2 ARG 26 - HA ARG 27 OK 36 97 - 37 - 4.9/5345=5, 1439=4...(15) HG2 ARG 71 - HA ARG 27 OK 18 95 - 19 - ~65=2, 537/3.0=2...(4) HG3 ARG 17 - HA ARG 27 OK 17 95 - 18 - 1439=2, 537/3.0=2, 1.8/1439=1 HG2 ARG 17 - HA ARG 27 OK 17 93 - 18 - 1439=2, 537/3.0=2, 1.8/1439=1 HG3 ARG 27 - HA ARG 23 OK 11 74 - 14 - 1447=2, 5.0/534=2, 1.8/1447=1 HG2 ARG 27 - HA ARG 23 OK 11 74 - 14 - 1447=2, 5.0/534=2, 1.8/1447=1 HG2 ARG 26 - HA GLU 25 poor 10 50 - 19 - 529/3.6=4, ~5926=4...(7) HG2 ARG 27 - HA GLU 25 poor 8 56 - 15 - 529/3.6=2, 5.0/534=2...(6) HG3 ARG 27 - HA GLU 25 poor 8 56 - 15 - 529/3.6=2, 5.0/534=2...(6) HD3 LYS 32 - HA ARG 27 lone 6 83 - 7 - 72/3.6=1, ~5520=1 HD2 LYS 32 - HA ARG 27 lone 5 78 - 7 - 72/3.6=1, ~5520=1 HG2 ARG 71 - HA GLU 25 lone 4 48 - 9 - 529/3.6=2 HG2 ARG 71 - HA ARG 23 lone 4 66 - 6 - HG2 ARG 26 - HA ARG 23 lone 4 68 - 5 - 4.9/5345=1 HG3 ARG 17 - HA ARG 23 lone 3 66 - 5 - HG2 ARG 17 - HA ARG 23 lone 3 64 - 5 - HB2 LEU 86 - HA ARG 27 lone 3 87 - 3 - HB3 GLN 61 - HA ARG 27 lone 2 65 - 4 - HG3 ARG 70 - HA ARG 27 lone 2 83 - 2 - HD3 LYS 73 - HA ARG 27 lone 2 78 - 2 - HD2 LYS 73 - HA ARG 27 lone 2 78 - 2 - HG3 ARG 17 - HA GLU 25 lone 2 48 - 3 - HG2 ARG 17 - HA GLU 25 lone 2 47 - 3 - HB3 GLN 61 - HA ARG 23 lone 1 41 - 3 - HB2 LEU 86 - HA GLU 25 lone 1 42 - 3 - HG3 ARG 70 - HA GLU 25 lone 1 40 - 2 - HD3 LYS 32 - HA GLU 25 lone 1 40 - 2 - HB3 GLN 61 - HA GLU 25 lone 1 30 - 3 - HD2 LYS 32 - HA GLU 25 lone 1 37 - 2 - HD3 LYS 73 - HA ARG 23 lone 1 51 - 1 - HD2 LYS 73 - HA ARG 23 lone 1 51 - 1 - HG3 ARG 70 - HA ARG 23 lone 1 55 - 1 - HB2 LEU 86 - HA ARG 23 lone 1 58 - 1 - HD3 LYS 32 - HA ARG 23 lone 1 55 - 1 - HD2 LYS 32 - HA ARG 23 lone 1 51 - 1 - HD2 LYS 73 - HA GLU 25 lone 1 37 - 1 - HD3 LYS 73 - HA GLU 25 lone 1 37 - 1 - Peak 1420 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 6 out of 42 assignments used, quality = 1.00: * HD2 ARG 27 + HA ARG 27 OK 77 100 - 77 - 5.4=41, 3.0/1419=8...(20) HD3 ARG 27 + HA ARG 27 OK 77 100 - 77 - 5.4=41, 3.0/1419=8...(20) HD2 ARG 23 + HA ARG 23 OK 55 74 - 75 - 5.2=45, 2.9/1285=20...(17) HD3 ARG 23 + HA ARG 23 OK 55 74 - 75 - 5.2=45, 2.9/1285=20...(17) HD2 ARG 26 + HA ARG 27 OK 49 100 - 50 - 6.1/5345=5, 3.0/1418=3...(19) HD3 ARG 26 + HA ARG 27 OK 49 99 - 50 - 6.1/5345=5, 3.0/1418=3...(19) HD2 ARG 23 - HA ARG 27 OK 34 100 - 35 - 2.9/1285=7, 2.9/1293=4...(11) HD3 ARG 23 - HA ARG 27 OK 34 100 - 35 - 2.9/1285=7, 2.9/1293=4...(11) HD2 ARG 17 - HA ARG 27 OK 17 98 - 17 - 3.0/1418=2, 3.0/1418=2 HD3 ARG 17 - HA ARG 27 OK 17 98 - 17 - 3.0/1418=2, 3.0/1418=2 HD3 ARG 27 - HA ARG 23 OK 13 74 - 18 - 5300/3.6=2, 1290/3.8=2...(5) HD2 ARG 27 - HA ARG 23 OK 13 74 - 18 - 5300/3.6=2, 1290/3.8=2...(5) HD2 ARG 71 - HA ARG 27 OK 11 60 - 19 - ~65=2, 3.0/1418=2...(7) HD2 ARG 26 - HA GLU 25 OK 10 55 - 18 - ~5926=4, 532/3.6=4...(5) HD3 ARG 26 - HA GLU 25 poor 10 54 - 18 - ~5926=4, 532/3.6=4...(5) HD3 ARG 66 - HA ARG 27 lone 8 87 - 9 - HD2 ARG 66 - HA ARG 27 lone 8 83 - 9 - HD2 ARG 26 - HA ARG 23 lone 7 73 - 10 - 6.1/5345=1, 5300/3.6=1 HD3 ARG 26 - HA ARG 23 lone 7 73 - 10 - 6.1/5345=1, 5300/3.6=1 HD3 ARG 27 - HA GLU 25 poor 6 56 - 10 - 532/3.6=2, 6.3/534=1 HD2 ARG 27 - HA GLU 25 poor 6 56 - 10 - 532/3.6=2, 6.3/534=1 HD2 ARG 17 - HA ARG 23 lone 5 70 - 7 - HD3 ARG 17 - HA ARG 23 lone 5 70 - 7 - HD3 ARG 66 - HA ARG 23 lone 5 58 - 8 - HD2 ARG 66 - HA ARG 23 lone 5 55 - 8 - HD3 ARG 84 - HA ARG 27 lone 3 83 - 3 - HD2 ARG 84 - HA ARG 27 lone 3 78 - 3 - HD2 ARG 82 - HA ARG 23 lone 2 53 - 4 - HD2 ARG 71 - HA ARG 23 lone 2 38 - 6 - HD2 ARG 82 - HA ARG 27 lone 2 81 - 2 - HD3 ARG 66 - HA GLU 25 lone 1 42 - 3 - 532/3.6=1 HD3 ARG 17 - HA GLU 25 lone 1 52 - 3 - HD2 ARG 17 - HA GLU 25 lone 1 52 - 3 - HD2 ARG 71 - HA GLU 25 lone 1 27 - 5 - HD2 ARG 66 - HA GLU 25 lone 1 40 - 3 - 532/3.6=1 HD3 ARG 84 - HA ARG 23 lone 1 55 - 2 - HD2 ARG 84 - HA ARG 23 lone 1 51 - 2 - HD3 ARG 23 - HA GLU 25 lone 1 55 - 2 - HD2 ARG 23 - HA GLU 25 lone 1 55 - 2 - HD3 ARG 84 - HA GLU 25 lone 1 40 - 2 - HD2 ARG 84 - HA GLU 25 lone 1 37 - 2 - HD2 ARG 82 - HA GLU 25 lone 0 38 - 1 - Peak 1421 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 3.98 A): 6 out of 42 assignments used, quality = 1.00: HD2 ARG 27 + HA ARG 27 OK 77 100 - 77 - 5.4=41, 3.0/1419=8...(20) * HD3 ARG 27 + HA ARG 27 OK 77 100 - 77 - 5.4=41, 3.0/1419=8...(20) HD2 ARG 23 + HA ARG 23 OK 55 74 - 75 - 5.2=45, 2.9/1285=20...(17) HD3 ARG 23 + HA ARG 23 OK 55 74 - 75 - 5.2=45, 2.9/1285=20...(17) HD2 ARG 26 + HA ARG 27 OK 49 100 - 50 - 6.1/5345=5, 3.0/1418=3...(19) HD3 ARG 26 + HA ARG 27 OK 49 99 - 50 - 6.1/5345=5, 3.0/1418=3...(19) HD2 ARG 23 - HA ARG 27 OK 34 100 - 35 - 2.9/1285=7, 2.9/1293=4...(11) HD3 ARG 23 - HA ARG 27 OK 34 100 - 35 - 2.9/1285=7, 2.9/1293=4...(11) HD2 ARG 17 - HA ARG 27 OK 17 98 - 17 - 3.0/1418=2, 3.0/1418=2 HD3 ARG 17 - HA ARG 27 OK 17 98 - 17 - 3.0/1418=2, 3.0/1418=2 HD3 ARG 27 - HA ARG 23 OK 13 74 - 18 - 5300/3.6=2, 1290/3.8=2...(5) HD2 ARG 27 - HA ARG 23 OK 13 74 - 18 - 5300/3.6=2, 1290/3.8=2...(5) HD2 ARG 71 - HA ARG 27 OK 11 60 - 19 - ~65=2, 3.0/1418=2...(7) HD2 ARG 26 - HA GLU 25 OK 10 55 - 18 - ~5926=4, 532/3.6=4...(5) HD3 ARG 26 - HA GLU 25 poor 10 54 - 18 - ~5926=4, 532/3.6=4...(5) HD3 ARG 66 - HA ARG 27 lone 8 87 - 9 - HD2 ARG 66 - HA ARG 27 lone 8 83 - 9 - HD2 ARG 26 - HA ARG 23 lone 7 73 - 10 - 6.1/5345=1, 5300/3.6=1 HD3 ARG 26 - HA ARG 23 lone 7 73 - 10 - 6.1/5345=1, 5300/3.6=1 HD3 ARG 27 - HA GLU 25 poor 6 56 - 10 - 532/3.6=2, 6.3/534=1 HD2 ARG 27 - HA GLU 25 poor 6 56 - 10 - 532/3.6=2, 6.3/534=1 HD2 ARG 17 - HA ARG 23 lone 5 70 - 7 - HD3 ARG 17 - HA ARG 23 lone 5 70 - 7 - HD3 ARG 66 - HA ARG 23 lone 5 58 - 8 - HD2 ARG 66 - HA ARG 23 lone 5 55 - 8 - HD3 ARG 84 - HA ARG 27 lone 3 83 - 3 - HD2 ARG 84 - HA ARG 27 lone 3 78 - 3 - HD2 ARG 82 - HA ARG 23 lone 2 53 - 4 - HD2 ARG 71 - HA ARG 23 lone 2 38 - 6 - HD2 ARG 82 - HA ARG 27 lone 2 81 - 2 - HD3 ARG 66 - HA GLU 25 lone 1 42 - 3 - 532/3.6=1 HD3 ARG 17 - HA GLU 25 lone 1 52 - 3 - HD2 ARG 17 - HA GLU 25 lone 1 52 - 3 - HD2 ARG 71 - HA GLU 25 lone 1 27 - 5 - HD2 ARG 66 - HA GLU 25 lone 1 40 - 3 - 532/3.6=1 HD3 ARG 84 - HA ARG 23 lone 1 55 - 2 - HD2 ARG 84 - HA ARG 23 lone 1 51 - 2 - HD3 ARG 23 - HA GLU 25 lone 1 55 - 2 - HD2 ARG 23 - HA GLU 25 lone 1 55 - 2 - HD3 ARG 84 - HA GLU 25 lone 1 40 - 2 - HD2 ARG 84 - HA GLU 25 lone 1 37 - 2 - HD2 ARG 82 - HA GLU 25 lone 0 38 - 1 - Peak 1422 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.52 A): 2 out of 70 assignments used, quality = 0.97: * H ARG 27 + HB2 ARG 27 OK 82 100 - 82 - 4.1=64, 536/1.8=9...(17) H ARG 27 + HB3 ARG 27 OK 82 100 - 82 - 4.1=64, 536/1.8=9...(18) H ARG 27 - HB2 ARG 26 OK 37 54 - 69 - 4.6=44, 5380/3.9=14...(10) H ARG 27 - HB3 ARG 26 OK 36 52 - 69 - 4.6=44, 5380/3.9=14...(10) H ARG 27 - HB3 ARG 71 OK 29 100 - 29 - 61/3.0=4, 65/2.8=4...(8) H ARG 27 - HB2 ARG 71 OK 29 100 - 29 - 61/3.0=4, 65/2.8=4...(8) H ARG 27 - HB3 ARG 23 OK 21 83 - 26 - 534/3.0=3, 536=3...(11) H ARG 27 - HB2 ARG 23 OK 21 83 - 26 - 534/3.0=3, 536=3...(11) H GLU 25 - HB2 ARG 27 OK 16 76 - 21 - 3.6/4157=5, 1414/3.0=2...(6) H GLU 25 - HB3 ARG 27 OK 16 76 - 21 - 3.6/4157=5, 1414/3.0=2...(7) H GLU 25 - HB2 ARG 26 OK 11 34 - 33 - 904/3.9=10, 520/3.0=4...(7) H GLU 25 - HB2 ARG 71 OK 11 76 - 14 - 520/3.0=2, 904/4.0=2...(4) H GLU 25 - HB3 ARG 71 OK 11 76 - 14 - 520/3.0=2, 904/4.0=2...(4) H GLU 25 - HB3 ARG 26 OK 11 33 - 32 - 904/3.9=10, 520/3.0=4...(7) H ILE 89 - HB2 ARG 27 lone 9 100 - 9 - 409/3.0=4, 877=1 H ILE 89 - HB3 ARG 27 lone 9 100 - 9 - 409/3.0=4, 877/1.8=1 H GLU 25 - HB3 ARG 23 poor 8 56 - 15 - 50/4.2=8, 3.6/4157=3, 4.5/5505=1 H GLU 25 - HB2 ARG 23 poor 8 56 - 15 - 50/4.2=8, 3.6/4157=3, 4.5/5505=1 H ILE 89 - HB3 ARG 23 lone 5 82 - 6 - 409/3.0=1 H ILE 89 - HB2 ARG 23 lone 5 81 - 6 - 409/3.0=1 H ARG 84 - HB2 ARG 71 lone 4 80 - 5 - H ARG 84 - HB3 ARG 71 lone 4 80 - 5 - H ARG 27 - HB2 ARG 66 lone 4 58 - 6 - H ASN 74 - HB2 ARG 71 lone 3 68 - 5 - 322/4.4=2 H ASN 74 - HB3 ARG 71 lone 3 68 - 5 - 322/4.4=2 H ILE 89 - HB2 ARG 71 lone 3 100 - 2 - H ARG 84 - HB2 ARG 27 lone 2 81 - 3 - H ARG 84 - HB3 ARG 27 lone 2 81 - 3 - H ILE 89 - HB3 ARG 71 lone 2 100 - 2 - H ARG 84 - HB3 ARG 23 lone 2 60 - 3 - H ARG 84 - HB2 ARG 23 lone 2 60 - 3 - H ARG 27 - HB3 PRO 34 lone 2 47 - 4 - 65/2.3=1 H GLU 25 - HB2 ARG 66 lone 2 37 - 4 - H ARG 84 - HB2 ARG 26 lone 1 37 - 4 - H ARG 84 - HB3 ARG 26 lone 1 35 - 4 - H ILE 89 - HB2 ARG 26 lone 1 53 - 2 - H THR 15 - HB2 ARG 66 lone 1 33 - 3 - H THR 15 - HB2 ARG 26 lone 1 30 - 4 - H ILE 89 - HB3 ARG 26 lone 1 51 - 2 - H THR 15 - HB3 ARG 26 lone 1 29 - 3 - H ASN 74 - HB2 ARG 27 lone 1 68 - 1 - H ASN 74 - HB3 ARG 27 lone 1 68 - 1 - H LEU 57 - HB3 PRO 34 lone 1 24 - 4 - 690/2.3=2, 690/1.8=1 H ASN 74 - HB3 ARG 23 lone 1 50 - 2 - H ASN 74 - HB2 ARG 23 lone 1 49 - 2 - H THR 15 - HB3 ARG 23 lone 1 50 - 2 - H THR 15 - HB2 ARG 27 lone 1 68 - 1 - H THR 15 - HB3 ARG 27 lone 1 68 - 1 - H THR 15 - HB2 ARG 23 lone 1 49 - 2 - H LEU 57 - HB2 ARG 71 lone 1 65 - 1 - H LEU 57 - HB3 ARG 71 lone 1 65 - 1 - H LEU 57 - HB2 ARG 27 lone 1 65 - 1 - H LEU 57 - HB3 ARG 27 lone 1 65 - 1 - H GLU 25 - HB3 PRO 34 lone 1 29 - 2 - H THR 15 - HB3 ARG 71 lone 1 68 - 1 - H THR 15 - HB2 ARG 71 lone 1 68 - 1 - H ARG 84 - HB2 ARG 66 lone 1 40 - 1 - H ARG 84 - HB3 PRO 34 lone 1 32 - 2 - H LEU 57 - HB2 ARG 66 lone 1 31 - 2 - H ASN 74 - HB2 ARG 26 lone 1 30 - 2 - H LEU 57 - HB3 ARG 23 lone 0 48 - 1 - H ILE 89 - HB2 ARG 66 lone 0 57 - 1 - H LEU 57 - HB2 ARG 23 lone 0 47 - 1 - H ASN 74 - HB3 ARG 26 lone 0 29 - 2 - H ASN 74 - HB3 PRO 34 lone 0 26 - 2 - H THR 15 - HB3 PRO 34 lone 0 26 - 2 - H ILE 89 - HB3 PRO 34 lone 0 46 - 1 - H LEU 57 - HB2 ARG 26 lone 0 29 - 1 - H LEU 57 - HB3 ARG 26 lone 0 27 - 1 - H ASN 74 - HB2 ARG 66 lone 0 33 - 1 - Peak 1423 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.15 A): 4 out of 70 assignments used, quality = 1.00: * HA ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 3.0=100 HA ARG 23 + HB3 ARG 23 OK 77 77 - 100 - 3.0=100 HA ARG 23 + HB2 ARG 23 OK 76 76 - 100 - 3.0=100 HA ARG 27 - HB2 ARG 71 OK 22 100 - 22 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 71 OK 22 100 - 22 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 23 OK 22 83 - 27 - 1285/3.0=4, 43/4.2=4...(7) HA ARG 27 - HB2 ARG 23 OK 22 83 - 27 - 1285/3.0=4, 43/4.2=4...(7) HA ARG 23 - HB2 ARG 27 OK 21 97 - 22 - 3.6/45=2, 1263=2...(10) HA ARG 23 - HB3 ARG 27 OK 21 97 - 22 - 3.6/45=2, 1263=2...(10) HA ARG 27 - HB2 ARG 26 OK 21 54 - 40 - 5345/3.9=6, 3.0/62=4...(18) HA ALA 30 - HB2 ARG 27 OK 21 83 - 25 - ~5388=6, ~4807=4...(9) HA ALA 30 - HB3 ARG 27 OK 21 83 - 25 - ~5388=6, ~4807=4...(9) HA ARG 27 - HB3 ARG 26 OK 20 52 - 40 - 5345/3.9=6, 3.0/62=4...(17) HA GLU 25 - HB2 ARG 27 OK 10 65 - 16 - 5347/4.3=2, 534/4.1=2, 3.6/527=1 HA GLU 25 - HB3 ARG 27 OK 10 65 - 16 - 5347/4.3=2, 534/4.1=2, 3.6/527=1 HA ARG 23 - HB2 ARG 71 lone 8 96 - 8 - HA ARG 23 - HB3 ARG 71 lone 8 96 - 8 - HA ALA 30 - HB2 ARG 71 lone 8 83 - 9 - ~5388=1, ~5387=1...(4) HA ALA 30 - HB3 ARG 71 lone 8 83 - 9 - ~5388=1, ~5387=1...(4) HA GLU 25 - HB2 ARG 26 poor 6 29 - 23 - 55/3.9=4, ~5926=2...(6) HB THR 88 - HB2 ARG 27 lone 6 100 - 6 - ~3595=1, 534/4.1=1 HA GLU 25 - HB3 ARG 26 poor 6 27 - 23 - 55/3.9=4, ~5926=2...(6) HB THR 88 - HB3 ARG 27 lone 6 100 - 6 - ~3595=1, 534/4.1=1 HA ALA 30 - HB3 ARG 23 lone 6 62 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 23 lone 6 62 - 9 - 1285/3.0=1, ~5388=1 HA GLU 25 - HB3 ARG 71 lone 6 65 - 9 - HA GLU 25 - HB2 ARG 71 lone 6 65 - 9 - HA ALA 30 - HB2 ARG 26 poor 5 38 - 14 - ~4194=2, 2.1/5537=2...(7) HA ALA 30 - HB3 ARG 26 poor 5 37 - 14 - ~4194=2, 2.1/5537=2...(7) HA ARG 27 - HB2 ARG 66 lone 3 58 - 5 - HA ARG 23 - HB2 ARG 26 lone 3 49 - 6 - 534/4.6=1, 5341/3.9=1 HA ARG 23 - HB3 ARG 26 lone 3 47 - 6 - 534/4.6=1, 5341/3.9=1 HA ARG 27 - HB3 PRO 34 lone 3 47 - 5 - HA ARG 23 - HB2 ARG 66 lone 2 53 - 4 - HA GLN 91 - HB2 ARG 26 lone 2 41 - 5 - 5345/3.9=1, 3661/1.8=1 HB THR 88 - HB3 ARG 23 lone 2 82 - 3 - HB THR 88 - HB2 ARG 23 lone 2 82 - 3 - HA GLN 91 - HB3 ARG 26 lone 2 39 - 5 - 5345/3.9=1, 3661/1.8=1 HA ALA 30 - HB2 ARG 66 lone 2 42 - 5 - HB THR 88 - HB2 ARG 26 lone 2 53 - 4 - 3589/3.9=1, 534/4.6=1 HB THR 88 - HB3 ARG 26 lone 2 51 - 4 - 3589/3.9=1, 534/4.6=1 HA ASN 49 - HB3 ARG 23 lone 2 56 - 3 - HA ASN 49 - HB2 ARG 23 lone 2 56 - 3 - HA GLU 25 - HB3 ARG 23 lone 1 48 - 3 - HA GLU 25 - HB2 ARG 23 lone 1 47 - 3 - HA GLN 91 - HB2 ARG 27 lone 1 87 - 2 - HA GLN 91 - HB3 ARG 27 lone 1 87 - 2 - HB THR 88 - HB2 ARG 71 lone 1 100 - 1 - HB THR 88 - HB3 ARG 71 lone 1 100 - 1 - HA GLN 91 - HB3 ARG 23 lone 1 66 - 2 - HA GLN 91 - HB2 ARG 23 lone 1 66 - 2 - HA ASN 49 - HB2 ARG 27 lone 1 76 - 1 - HA ASN 49 - HB3 ARG 27 lone 1 76 - 1 - HA GLU 25 - HB2 ARG 66 lone 1 31 - 2 - HA GLN 91 - HB3 PRO 34 lone 1 35 - 2 - HA GLN 91 - HB3 ARG 71 lone 1 87 - 1 - HA GLN 91 - HB2 ARG 71 lone 1 87 - 1 - HA ARG 23 - HB3 PRO 34 lone 1 42 - 1 - HA ASN 49 - HB2 ARG 71 lone 0 76 - 0 - HA ASN 49 - HB3 ARG 71 lone 0 76 - 0 - HA GLN 91 - HB2 ARG 66 lone 0 45 - 1 - HA ALA 30 - HB3 PRO 34 lone 0 33 - 1 - HA ASN 49 - HB3 PRO 34 lone 0 29 - 1 - HB THR 88 - HB2 ARG 66 lone 0 58 - 1 - HA ASN 49 - HB2 ARG 26 lone 0 34 - 1 - HA ASN 49 - HB3 ARG 26 lone 0 33 - 1 - HA GLU 25 - HB3 PRO 34 lone 0 24 - 1 - HB THR 88 - HB3 PRO 34 lone 0 46 - 0 - HA ASN 49 - HB2 ARG 66 lone 0 37 - 0 - Peak 1424 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: * HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 82 82 - 100 HB2 ARG 23 + HB2 ARG 23 OK 81 81 - 100 HB2 ARG 66 - HB2 ARG 66 OK 37 37 - 100 HB3 PRO 34 - HB3 PRO 34 OK 32 32 - 100 HB2 ARG 26 - HB2 ARG 26 OK 29 29 - 100 HB3 ARG 26 - HB3 ARG 26 OK 26 26 - 100 Peak 1425 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 81 81 - 100 HB2 ARG 23 + HB2 ARG 23 OK 80 80 - 100 HB2 ARG 66 - HB2 ARG 66 OK 39 39 - 100 HB3 PRO 34 - HB3 PRO 34 OK 33 33 - 100 HB2 ARG 26 - HB2 ARG 26 OK 30 30 - 100 HB3 ARG 26 - HB3 ARG 26 OK 27 27 - 100 Reference assignment not found: HB3 ARG 27 - HB2 ARG 27 Peak 1426 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 7 out of 130 assignments used, quality = 1.00: * HG2 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 71 + HB2 ARG 71 OK 95 95 - 100 - 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 95 95 - 100 - 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 46 50 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB3 ARG 26 OK 44 48 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 32 97 - 33 - 2932/2.8=2, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 32 97 - 33 - 2932/2.8=2, ~1391=2...(9) HG3 ARG 17 - HB2 ARG 71 OK 25 95 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 25 95 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB2 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG2 ARG 26 - HB3 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG3 ARG 70 - HB2 ARG 66 OK 18 43 - 42 - ~2867=3, ~2866=3...(18) HG2 ARG 71 - HB2 ARG 26 OK 17 48 - 35 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 27 OK 16 96 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 16 96 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 26 OK 16 46 - 35 - 1394/3.0=3, ~2929=2...(10) HG3 ARG 70 - HB2 ARG 71 OK 13 85 - 16 - 5.0/777=2, ~5395=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 13 85 - 16 - 5.0/776=2, ~5395=1...(4) HG3 ARG 17 - HB2 ARG 27 OK 12 96 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 12 96 - 13 - HG2 ARG 17 - HB2 ARG 27 OK 12 95 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 12 94 - 13 - HG2 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG2 ARG 27 - HB2 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB2 ARG 23 OK 11 83 - 13 - HD3 LYS 32 - HB2 ARG 71 OK 11 85 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 11 85 - 13 - HG2 ARG 27 - HB3 ARG 26 OK 11 52 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 26 OK 11 52 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HD2 LYS 32 - HB2 ARG 71 OK 10 80 - 12 - HD2 LYS 32 - HB3 ARG 71 OK 10 80 - 13 - HG2 ARG 26 - HB2 ARG 66 poor 8 54 - 15 - 1.8/1392=1 HD2 LYS 73 - HB2 ARG 71 lone 7 80 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 7 80 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 7 80 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 7 80 - 9 - HG2 ARG 71 - HB2 ARG 66 poor 7 52 - 14 - 1.8/2931=1 HG3 ARG 17 - HB2 ARG 26 poor 6 48 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 6 47 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 76 - 8 - HG3 ARG 17 - HB3 ARG 26 poor 6 46 - 13 - 1394/3.0=1 HG2 ARG 71 - HB2 ARG 23 lone 6 75 - 8 - HG2 ARG 17 - HB3 ARG 26 poor 6 45 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 PRO 34 poor 5 41 - 13 - 1.8/2931=1 HG3 ARG 17 - HB3 ARG 23 lone 5 76 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 75 - 7 - HD3 LYS 32 - HB3 PRO 34 poor 5 34 - 15 - HG2 ARG 17 - HB3 ARG 23 lone 5 74 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 74 - 7 - HD2 LYS 32 - HB3 PRO 34 poor 5 32 - 15 - HB2 LEU 86 - HB2 ARG 71 lone 4 88 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 4 88 - 4 - HG3 ARG 27 - HB2 ARG 66 lone 4 58 - 6 - HG2 ARG 27 - HB2 ARG 66 lone 4 58 - 6 - HG2 ARG 26 - HB3 ARG 23 lone 3 78 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 77 - 4 - HG2 ARG 26 - HB3 PRO 34 lone 3 43 - 8 - HD3 LYS 32 - HB2 ARG 27 lone 3 85 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 3 85 - 4 - HD2 LYS 32 - HB2 ARG 27 lone 3 81 - 4 - HD2 LYS 32 - HB3 ARG 27 lone 3 81 - 4 - HG3 ARG 70 - HB2 ARG 26 lone 3 40 - 7 - HG3 ARG 70 - HB3 ARG 26 lone 3 38 - 7 - HG3 ARG 70 - HB2 ARG 27 lone 2 85 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 2 85 - 3 - HB2 LEU 86 - HB3 PRO 34 lone 2 36 - 6 - HD3 LYS 32 - HB2 ARG 26 lone 2 40 - 5 - HB2 LEU 86 - HB2 ARG 27 lone 2 89 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 89 - 2 - HD3 LYS 32 - HB3 ARG 26 lone 2 38 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 42 - 4 - HD2 LYS 32 - HB2 ARG 26 lone 2 37 - 5 - HB2 LEU 86 - HB3 ARG 26 lone 2 40 - 4 - HG2 ARG 27 - HB3 PRO 34 lone 2 47 - 4 - HG3 ARG 27 - HB3 PRO 34 lone 2 46 - 4 - HD2 LYS 32 - HB3 ARG 26 lone 2 35 - 5 - HG3 ARG 17 - HB2 ARG 66 lone 2 52 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 51 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 1 43 - 3 - HD2 LYS 73 - HB2 ARG 27 lone 1 81 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 1 81 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 81 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 81 - 2 - HD2 LYS 32 - HB2 ARG 66 lone 1 40 - 3 - HD2 LYS 73 - HB3 ARG 23 lone 1 60 - 2 - HD3 LYS 73 - HB3 ARG 23 lone 1 60 - 2 - HD2 LYS 73 - HB2 ARG 23 lone 1 60 - 2 - HD3 LYS 73 - HB2 ARG 23 lone 1 60 - 2 - HB2 LEU 86 - HB3 ARG 23 lone 1 68 - 1 - HB3 GLN 61 - HB2 ARG 66 lone 1 30 - 3 - HB2 LEU 86 - HB2 ARG 23 lone 1 67 - 1 - HD3 LYS 73 - HB2 ARG 26 lone 1 37 - 2 - HD2 LYS 73 - HB2 ARG 26 lone 1 37 - 2 - HD3 LYS 73 - HB3 ARG 26 lone 1 35 - 2 - HD2 LYS 73 - HB3 ARG 26 lone 1 35 - 2 - HB3 GLN 61 - HB2 ARG 27 lone 1 63 - 1 - HB3 GLN 61 - HB3 ARG 27 lone 1 63 - 1 - HB3 GLN 61 - HB3 ARG 23 lone 1 46 - 2 - HB3 GLN 61 - HB2 ARG 23 lone 1 45 - 2 - HD3 LYS 73 - HB3 PRO 34 lone 1 32 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 32 - 2 - HB2 LEU 86 - HB2 ARG 66 lone 1 46 - 1 - HD3 LYS 32 - HB3 ARG 23 lone 1 64 - 1 - HD3 LYS 32 - HB2 ARG 23 lone 1 64 - 1 - HG3 ARG 70 - HB3 ARG 23 lone 1 64 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 64 - 1 - HD2 LYS 73 - HB2 ARG 66 lone 1 40 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 1 40 - 2 - HD2 LYS 32 - HB3 ARG 23 lone 1 60 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 60 - 1 - HG3 ARG 17 - HB3 PRO 34 lone 0 41 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 0 40 - 1 - HB3 GLN 61 - HB2 ARG 71 lone 0 63 - 0 - HB3 GLN 61 - HB3 ARG 71 lone 0 63 - 0 - HG3 ARG 70 - HB3 PRO 34 lone 0 34 - 1 - HB3 GLN 61 - HB2 ARG 26 lone 0 27 - 0 - HB3 GLN 61 - HB3 ARG 26 lone 0 26 - 0 - HB3 GLN 61 - HB3 PRO 34 lone 0 23 - 0 - Peak 1427 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 6 out of 130 assignments used, quality = 1.00: * HG3 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 71 + HB2 ARG 71 OK 94 94 - 100 - 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 94 94 - 100 - 2.8=100 HG2 ARG 26 - HB2 ARG 26 OK 45 49 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB3 ARG 26 OK 43 47 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 32 96 - 33 - 2932/2.8=2, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 31 96 - 33 - 2932/2.8=2, ~1391=2...(9) HG3 ARG 17 - HB2 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB2 ARG 71 OK 24 93 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 24 93 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG2 ARG 26 - HB3 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG3 ARG 70 - HB2 ARG 66 OK 17 42 - 42 - ~2867=3, ~2866=3...(17) HG2 ARG 71 - HB2 ARG 26 OK 16 47 - 35 - 1394/3.0=3, ~2929=2...(10) HG3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 27 OK 16 95 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 16 94 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 26 OK 16 45 - 35 - 1394/3.0=3, ~2929=2...(10) HG3 ARG 70 - HB2 ARG 71 OK 13 83 - 16 - 5.0/777=2, ~5395=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 13 83 - 16 - 5.0/776=2, ~5395=1...(4) HG3 ARG 17 - HB2 ARG 27 OK 12 95 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 12 94 - 13 - HG2 ARG 17 - HB2 ARG 27 OK 12 93 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 12 93 - 13 - HG3 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG2 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB2 ARG 23 OK 11 83 - 13 - HG2 ARG 27 - HB2 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB3 ARG 26 OK 11 52 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 26 OK 11 52 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HD3 LYS 32 - HB2 ARG 71 OK 10 83 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 10 83 - 13 - HD2 LYS 32 - HB2 ARG 71 poor 10 78 - 12 - HD2 LYS 32 - HB3 ARG 71 poor 10 78 - 12 - HG2 ARG 26 - HB2 ARG 66 poor 8 53 - 15 - 1.8/1392=1 HG2 ARG 71 - HB2 ARG 66 poor 7 51 - 14 - 1.8/2931=1 HD2 LYS 73 - HB2 ARG 71 lone 7 78 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 7 78 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 7 78 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 7 78 - 9 - HG3 ARG 17 - HB2 ARG 26 poor 6 47 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 6 46 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 74 - 8 - HG2 ARG 71 - HB2 ARG 23 lone 6 74 - 8 - HG3 ARG 17 - HB3 ARG 26 poor 6 45 - 13 - 1394/3.0=1 HG2 ARG 17 - HB3 ARG 26 poor 6 44 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 PRO 34 poor 5 40 - 13 - 1.8/2931=1 HG3 ARG 17 - HB3 ARG 23 lone 5 74 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 74 - 7 - HG2 ARG 17 - HB3 ARG 23 lone 5 73 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 72 - 7 - HD3 LYS 32 - HB3 PRO 34 poor 5 33 - 15 - HD2 LYS 32 - HB3 PRO 34 poor 4 30 - 15 - HB2 LEU 86 - HB2 ARG 71 lone 4 87 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 4 87 - 4 - HG3 ARG 27 - HB2 ARG 66 lone 4 58 - 6 - HG2 ARG 27 - HB2 ARG 66 lone 4 58 - 6 - HG2 ARG 26 - HB3 ARG 23 lone 3 77 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 76 - 4 - HG2 ARG 26 - HB3 PRO 34 lone 3 42 - 8 - HD3 LYS 32 - HB2 ARG 27 lone 3 83 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 3 83 - 4 - HD2 LYS 32 - HB2 ARG 27 lone 3 78 - 4 - HD2 LYS 32 - HB3 ARG 27 lone 3 78 - 4 - HG3 ARG 70 - HB2 ARG 26 lone 3 38 - 7 - HG3 ARG 70 - HB3 ARG 26 lone 3 37 - 7 - HG3 ARG 70 - HB2 ARG 27 lone 2 83 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 2 83 - 3 - HB2 LEU 86 - HB3 PRO 34 lone 2 35 - 6 - HD3 LYS 32 - HB2 ARG 26 lone 2 38 - 5 - HB2 LEU 86 - HB2 ARG 27 lone 2 87 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 87 - 2 - HD3 LYS 32 - HB3 ARG 26 lone 2 37 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 41 - 4 - HD2 LYS 32 - HB2 ARG 26 lone 2 36 - 5 - HG3 ARG 27 - HB3 PRO 34 lone 2 47 - 4 - HG2 ARG 27 - HB3 PRO 34 lone 2 46 - 4 - HB2 LEU 86 - HB3 ARG 26 lone 2 39 - 4 - HD2 LYS 32 - HB3 ARG 26 lone 2 34 - 5 - HG3 ARG 17 - HB2 ARG 66 lone 2 51 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 50 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 1 42 - 3 - HD2 LYS 73 - HB2 ARG 27 lone 1 78 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 1 78 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 78 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 78 - 2 - HD2 LYS 32 - HB2 ARG 66 lone 1 39 - 3 - HB3 GLN 61 - HB2 ARG 66 lone 1 31 - 3 - HB3 GLN 61 - HB2 ARG 27 lone 1 65 - 1 - HB3 GLN 61 - HB3 ARG 27 lone 1 65 - 1 - HD2 LYS 73 - HB3 ARG 23 lone 1 58 - 2 - HD3 LYS 73 - HB3 ARG 23 lone 1 58 - 2 - HB2 LEU 86 - HB3 ARG 23 lone 1 66 - 1 - HD3 LYS 73 - HB2 ARG 23 lone 1 58 - 1 - HD2 LYS 73 - HB2 ARG 23 lone 1 58 - 1 - HB2 LEU 86 - HB2 ARG 23 lone 1 66 - 1 - HD3 LYS 73 - HB2 ARG 26 lone 1 36 - 2 - HD2 LYS 73 - HB2 ARG 26 lone 1 36 - 2 - HD2 LYS 73 - HB3 ARG 26 lone 1 34 - 2 - HD3 LYS 73 - HB3 ARG 26 lone 1 34 - 2 - HB3 GLN 61 - HB3 ARG 23 lone 1 48 - 2 - HB3 GLN 61 - HB2 ARG 23 lone 1 47 - 2 - HD3 LYS 73 - HB3 PRO 34 lone 1 30 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 30 - 2 - HD3 LYS 32 - HB3 ARG 23 lone 1 62 - 1 - HB2 LEU 86 - HB2 ARG 66 lone 1 45 - 1 - HD3 LYS 32 - HB2 ARG 23 lone 1 62 - 1 - HG3 ARG 70 - HB3 ARG 23 lone 1 62 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 62 - 1 - HD2 LYS 73 - HB2 ARG 66 lone 1 39 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 1 39 - 2 - HD2 LYS 32 - HB3 ARG 23 lone 1 58 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 58 - 1 - HG3 ARG 17 - HB3 PRO 34 lone 0 40 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 0 39 - 1 - HB3 GLN 61 - HB2 ARG 71 lone 0 65 - 0 - HB3 GLN 61 - HB3 ARG 71 lone 0 65 - 0 - HG3 ARG 70 - HB3 PRO 34 lone 0 33 - 1 - HB3 GLN 61 - HB2 ARG 26 lone 0 29 - 0 - HB3 GLN 61 - HB3 ARG 26 lone 0 27 - 0 - HB3 GLN 61 - HB3 PRO 34 lone 0 24 - 0 - Peak 1428 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 13 out of 140 assignments used, quality = 1.00: HD3 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) * HD2 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD3 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 23 + HB3 ARG 23 OK 74 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 74 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 23 + HB2 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 71 + HB2 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 71 + HB3 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 26 + HB2 ARG 26 OK 47 53 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB2 ARG 26 OK 47 52 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 + HB3 ARG 26 OK 45 51 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 - HB3 ARG 26 OK 45 50 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 - HB2 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 66 - HB2 ARG 66 OK 40 45 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 37 42 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 27 OK 31 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 30 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD3 ARG 26 - HB2 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1420/3.0=2 HD3 ARG 26 - HB3 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 66 - HB2 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD3 ARG 66 - HB3 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD2 ARG 26 - HB2 ARG 66 OK 15 57 - 26 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 26 - HB2 ARG 66 OK 14 57 - 25 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 66 - HB2 ARG 26 OK 14 41 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 27 - HB2 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB3 ARG 26 OK 13 39 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB2 ARG 26 OK 13 38 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB3 ARG 26 OK 12 37 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD3 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB3 ARG 26 OK 10 52 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB3 ARG 26 OK 10 52 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 84 - HB2 ARG 71 poor 9 83 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 9 83 - 11 - HD2 ARG 84 - HB2 ARG 71 poor 8 78 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 8 78 - 11 - HD3 ARG 66 - HB2 ARG 27 lone 8 87 - 9 - HD3 ARG 66 - HB3 ARG 27 lone 8 87 - 9 - HD2 ARG 71 - HB2 ARG 26 poor 8 26 - 32 - ~2929=2, 3.0/2931=2...(8) HD2 ARG 66 - HB2 ARG 27 lone 8 83 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 8 83 - 9 - HD2 ARG 71 - HB2 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 26 poor 8 25 - 32 - ~2929=2, 3.0/2931=2...(7) HD2 ARG 26 - HB3 ARG 23 lone 8 82 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 7 79 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 7 79 - 9 - HD2 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 26 poor 7 51 - 14 - HD2 ARG 17 - HB2 ARG 26 poor 7 51 - 14 - HD2 ARG 17 - HB3 ARG 26 poor 7 48 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 7 48 - 14 - HD3 ARG 66 - HB3 ARG 23 lone 6 66 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 6 66 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 6 62 - 10 - HD2 ARG 66 - HB2 ARG 23 lone 6 62 - 10 - HD2 ARG 23 - HB2 ARG 66 lone 5 58 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 58 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 4 58 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 4 58 - 8 - HD2 ARG 26 - HB3 PRO 34 lone 4 46 - 10 - HD3 ARG 26 - HB3 PRO 34 lone 4 45 - 10 - HD2 ARG 71 - HB2 ARG 66 poor 4 28 - 15 - 3.0/2931=1 HD2 ARG 23 - HB2 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB2 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 4 51 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 4 51 - 7 - HD2 ARG 82 - HB3 ARG 23 lone 3 60 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 3 60 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 3 43 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 3 43 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 55 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 55 - 4 - HD3 ARG 84 - HB2 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB2 ARG 26 lone 2 38 - 5 - HD2 ARG 84 - HB2 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 78 - 2 - HD3 ARG 84 - HB3 ARG 26 lone 2 37 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 2 36 - 5 - HD2 ARG 71 - HB3 PRO 34 lone 2 22 - 8 - 3.0/2931=1 HD2 ARG 84 - HB3 ARG 26 lone 2 34 - 5 - HD3 ARG 84 - HB3 ARG 23 lone 2 62 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 2 62 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 1 58 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 1 58 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 81 - 1 - HD3 ARG 66 - HB3 PRO 34 lone 1 35 - 3 - HD2 ARG 66 - HB3 PRO 34 lone 1 33 - 3 - HD2 ARG 27 - HB3 PRO 34 lone 1 47 - 2 - HD3 ARG 27 - HB3 PRO 34 lone 1 47 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 1 46 - 1 - HD3 ARG 23 - HB3 PRO 34 lone 1 46 - 1 - HD2 ARG 82 - HB3 PRO 34 lone 1 32 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 0 33 - 1 - HD2 ARG 84 - HB3 PRO 34 lone 0 30 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 0 43 - 1 - HD2 ARG 17 - HB3 PRO 34 lone 0 43 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 42 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 39 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 40 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 0 37 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 0 35 - 1 - Peak 1429 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 13 out of 140 assignments used, quality = 1.00: * HD3 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD3 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 23 + HB3 ARG 23 OK 74 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 74 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 23 + HB2 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 71 + HB2 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 71 + HB3 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 26 + HB2 ARG 26 OK 47 53 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB2 ARG 26 OK 47 52 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 + HB3 ARG 26 OK 45 51 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 - HB3 ARG 26 OK 45 50 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 - HB2 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 66 - HB2 ARG 66 OK 40 45 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 66 - HB2 ARG 66 OK 37 42 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 27 OK 31 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 30 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD3 ARG 26 - HB2 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1420/3.0=2 HD3 ARG 26 - HB3 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 66 - HB2 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD3 ARG 66 - HB3 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD2 ARG 26 - HB2 ARG 66 OK 15 57 - 26 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 26 - HB2 ARG 66 OK 14 57 - 25 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 66 - HB2 ARG 26 OK 14 41 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 27 - HB2 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 66 - HB3 ARG 26 OK 13 39 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB2 ARG 26 OK 13 38 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB3 ARG 26 OK 12 37 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD3 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB2 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB3 ARG 26 OK 10 52 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB3 ARG 26 OK 10 52 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 84 - HB2 ARG 71 poor 9 83 - 11 - HD3 ARG 84 - HB3 ARG 71 poor 9 83 - 11 - HD2 ARG 84 - HB2 ARG 71 poor 8 78 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 8 78 - 11 - HD3 ARG 66 - HB2 ARG 27 lone 8 87 - 9 - HD3 ARG 66 - HB3 ARG 27 lone 8 87 - 9 - HD2 ARG 71 - HB2 ARG 26 poor 8 26 - 32 - ~2929=2, 3.0/2931=2...(8) HD2 ARG 66 - HB2 ARG 27 lone 8 83 - 9 - HD2 ARG 66 - HB3 ARG 27 lone 8 83 - 9 - HD2 ARG 71 - HB2 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 26 poor 8 25 - 32 - ~2929=2, 3.0/2931=2...(7) HD2 ARG 26 - HB3 ARG 23 lone 8 82 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD2 ARG 17 - HB3 ARG 23 lone 7 79 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 7 79 - 9 - HD2 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 26 poor 7 51 - 14 - HD2 ARG 17 - HB2 ARG 26 poor 7 51 - 14 - HD2 ARG 17 - HB3 ARG 26 poor 7 48 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 7 48 - 14 - HD3 ARG 66 - HB3 ARG 23 lone 6 66 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 6 66 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 6 62 - 10 - HD2 ARG 66 - HB2 ARG 23 lone 6 62 - 10 - HD2 ARG 23 - HB2 ARG 66 lone 5 58 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 5 58 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 4 58 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 4 58 - 8 - HD2 ARG 26 - HB3 PRO 34 lone 4 46 - 10 - HD3 ARG 26 - HB3 PRO 34 lone 4 45 - 10 - HD2 ARG 71 - HB2 ARG 66 poor 4 28 - 15 - 3.0/2931=1 HD2 ARG 23 - HB2 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB2 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 4 51 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 4 51 - 7 - HD2 ARG 82 - HB3 ARG 23 lone 3 60 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 3 60 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 3 43 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 3 43 - 6 - HD3 ARG 17 - HB2 ARG 66 lone 2 55 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 55 - 4 - HD3 ARG 84 - HB2 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB3 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB2 ARG 26 lone 2 38 - 5 - HD2 ARG 84 - HB2 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 78 - 2 - HD3 ARG 84 - HB3 ARG 26 lone 2 37 - 5 - HD2 ARG 84 - HB2 ARG 26 lone 2 36 - 5 - HD2 ARG 71 - HB3 PRO 34 lone 2 22 - 8 - 3.0/2931=1 HD2 ARG 84 - HB3 ARG 26 lone 2 34 - 5 - HD3 ARG 84 - HB3 ARG 23 lone 2 62 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 2 62 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 1 58 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 1 58 - 2 - HD2 ARG 82 - HB2 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB3 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 81 - 1 - HD3 ARG 66 - HB3 PRO 34 lone 1 35 - 3 - HD2 ARG 66 - HB3 PRO 34 lone 1 33 - 3 - HD2 ARG 27 - HB3 PRO 34 lone 1 47 - 2 - HD3 ARG 27 - HB3 PRO 34 lone 1 47 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 1 46 - 1 - HD3 ARG 23 - HB3 PRO 34 lone 1 46 - 1 - HD2 ARG 82 - HB3 PRO 34 lone 1 32 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 0 33 - 1 - HD2 ARG 84 - HB3 PRO 34 lone 0 30 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 0 43 - 1 - HD2 ARG 17 - HB3 PRO 34 lone 0 43 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 42 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 39 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 40 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 0 37 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 0 35 - 1 - Peak 1430 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.52 A): 2 out of 70 assignments used, quality = 0.97: * H ARG 27 + HB3 ARG 27 OK 82 100 - 82 - 4.1=64, 536/1.8=9...(18) H ARG 27 + HB2 ARG 27 OK 82 100 - 82 - 4.1=64, 536/1.8=9...(18) H ARG 27 - HB2 ARG 26 OK 39 56 - 69 - 4.6=44, 5380/3.9=14...(10) H ARG 27 - HB3 ARG 26 OK 37 54 - 69 - 4.6=44, 5380/3.9=14...(10) H ARG 27 - HB3 ARG 71 OK 29 100 - 29 - 61/3.0=4, 65/2.8=4...(8) H ARG 27 - HB2 ARG 71 OK 29 100 - 29 - 61/3.0=4, 65/2.8=4...(8) H ARG 27 - HB3 ARG 23 OK 21 83 - 26 - 534/3.0=3, 536=3...(11) H ARG 27 - HB2 ARG 23 OK 21 82 - 26 - 534/3.0=3, 536=3...(11) H GLU 25 - HB3 ARG 27 OK 16 76 - 22 - 3.6/4157=5, 1414/3.0=2...(7) H GLU 25 - HB2 ARG 27 OK 16 76 - 21 - 3.6/4157=5, 1414/3.0=2...(7) H GLU 25 - HB2 ARG 26 OK 12 36 - 33 - 904/3.9=10, 520/3.0=4...(7) H GLU 25 - HB3 ARG 26 OK 11 34 - 33 - 904/3.9=10, 520/3.0=4...(7) H GLU 25 - HB3 ARG 71 OK 11 76 - 14 - 520/3.0=2, 904/4.0=2...(4) H GLU 25 - HB2 ARG 71 OK 11 76 - 14 - 520/3.0=2, 904/4.0=2...(4) H ILE 89 - HB2 ARG 27 lone 9 100 - 9 - 409/3.0=4, 877=1 H ILE 89 - HB3 ARG 27 lone 9 100 - 9 - 409/3.0=4, 877/1.8=1 H GLU 25 - HB3 ARG 23 poor 8 56 - 15 - 50/4.2=8, 3.6/4157=3, 4.5/5505=1 H GLU 25 - HB2 ARG 23 poor 8 55 - 15 - 50/4.2=8, 3.6/4157=3, 4.5/5505=1 H ILE 89 - HB3 ARG 23 lone 5 81 - 6 - 409/3.0=1 H ILE 89 - HB2 ARG 23 lone 5 81 - 6 - 409/3.0=1 H ARG 84 - HB2 ARG 71 lone 4 80 - 5 - H ARG 84 - HB3 ARG 71 lone 4 80 - 5 - H ARG 27 - HB2 ARG 66 lone 4 61 - 6 - H ASN 74 - HB2 ARG 71 lone 3 68 - 5 - 322/4.4=2 H ASN 74 - HB3 ARG 71 lone 3 68 - 5 - 322/4.4=2 H ILE 89 - HB2 ARG 71 lone 2 100 - 2 - H ARG 84 - HB2 ARG 27 lone 2 81 - 3 - H ARG 84 - HB3 ARG 27 lone 2 81 - 3 - H ILE 89 - HB3 ARG 71 lone 2 100 - 2 - H ARG 27 - HB3 PRO 34 lone 2 48 - 4 - 65/2.3=1 H ARG 84 - HB3 ARG 23 lone 2 60 - 3 - H ARG 84 - HB2 ARG 23 lone 2 59 - 3 - H GLU 25 - HB2 ARG 66 lone 2 39 - 4 - H ARG 84 - HB2 ARG 26 lone 1 39 - 4 - H ARG 84 - HB3 ARG 26 lone 1 37 - 4 - H THR 15 - HB2 ARG 66 lone 1 34 - 4 - 3.6/1095=1 H ILE 89 - HB2 ARG 26 lone 1 55 - 2 - H THR 15 - HB2 ARG 26 lone 1 32 - 4 - H ILE 89 - HB3 ARG 26 lone 1 53 - 2 - H THR 15 - HB3 ARG 26 lone 1 30 - 4 - H ASN 74 - HB2 ARG 27 lone 1 68 - 1 - H ASN 74 - HB3 ARG 27 lone 1 68 - 1 - H LEU 57 - HB3 PRO 34 lone 1 25 - 4 - 690/2.3=2, 690/1.8=1 H ASN 74 - HB3 ARG 23 lone 1 49 - 2 - H ASN 74 - HB2 ARG 23 lone 1 49 - 2 - H THR 15 - HB2 ARG 27 lone 1 68 - 1 - H THR 15 - HB3 ARG 27 lone 1 68 - 1 - H THR 15 - HB3 ARG 23 lone 1 49 - 2 - H THR 15 - HB2 ARG 23 lone 1 49 - 2 - H LEU 57 - HB2 ARG 71 lone 1 65 - 1 - H LEU 57 - HB3 ARG 71 lone 1 65 - 1 - H GLU 25 - HB3 PRO 34 lone 1 30 - 2 - H LEU 57 - HB2 ARG 27 lone 1 65 - 1 - H LEU 57 - HB3 ARG 27 lone 1 65 - 1 - H ARG 84 - HB2 ARG 66 lone 1 42 - 1 - H THR 15 - HB2 ARG 71 lone 1 68 - 1 - H THR 15 - HB3 ARG 71 lone 1 68 - 1 - H ARG 84 - HB3 PRO 34 lone 1 33 - 2 - H LEU 57 - HB2 ARG 66 lone 1 33 - 2 - H ASN 74 - HB2 ARG 26 lone 1 32 - 2 - H ILE 89 - HB2 ARG 66 lone 0 59 - 1 - H ASN 74 - HB3 ARG 26 lone 1 30 - 2 - H THR 15 - HB3 PRO 34 lone 1 27 - 2 - H ASN 74 - HB3 PRO 34 lone 1 27 - 2 - H LEU 57 - HB3 ARG 23 lone 0 47 - 1 - H LEU 57 - HB2 ARG 23 lone 0 47 - 1 - H ILE 89 - HB3 PRO 34 lone 0 47 - 1 - H LEU 57 - HB2 ARG 26 lone 0 30 - 1 - H LEU 57 - HB3 ARG 26 lone 0 29 - 1 - H ASN 74 - HB2 ARG 66 lone 0 34 - 1 - Peak 1431 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.15 A): 4 out of 70 assignments used, quality = 1.00: * HA ARG 27 + HB3 ARG 27 OK 100 100 - 100 - 3.0=100 HA ARG 27 + HB2 ARG 27 OK 100 100 - 100 - 3.0=100 HA ARG 23 + HB3 ARG 23 OK 76 76 - 100 - 3.0=100 HA ARG 23 + HB2 ARG 23 OK 76 76 - 100 - 3.0=100 HA ARG 27 - HB2 ARG 26 OK 22 56 - 40 - 5345/3.9=6, 3.0/62=4...(18) HA ARG 27 - HB2 ARG 71 OK 22 100 - 22 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 71 OK 22 100 - 22 - 3.0/536=2, 1417=2, ~65=1...(6) HA ARG 27 - HB3 ARG 23 OK 22 83 - 27 - 1285/3.0=4, 43/4.2=4...(7) HA ARG 27 - HB2 ARG 23 OK 22 82 - 27 - 1285/3.0=4, 43/4.2=4...(7) HA ARG 23 - HB3 ARG 27 OK 21 97 - 22 - 3.6/45=2, 1263=2...(10) HA ARG 23 - HB2 ARG 27 OK 21 97 - 22 - 3.6/45=2, 1263=2...(10) HA ARG 27 - HB3 ARG 26 OK 21 54 - 40 - 5345/3.9=6, 3.0/62=4...(17) HA ALA 30 - HB3 ARG 27 OK 21 83 - 25 - ~5388=6, ~4807=4...(9) HA ALA 30 - HB2 ARG 27 OK 21 83 - 25 - ~5388=6, ~4807=4...(9) HA GLU 25 - HB3 ARG 27 OK 10 65 - 16 - 5347/4.3=2, 534/4.1=2, 3.6/527=1 HA GLU 25 - HB2 ARG 27 OK 10 65 - 16 - 5347/4.3=2, 534/4.1=2, 3.6/527=1 HA ARG 23 - HB3 ARG 71 lone 8 96 - 8 - HA ARG 23 - HB2 ARG 71 lone 8 96 - 8 - HA ALA 30 - HB3 ARG 71 lone 8 83 - 9 - ~5388=1, 2.1/5537=1...(4) HA ALA 30 - HB2 ARG 71 lone 8 83 - 9 - ~5388=1, ~5387=1...(4) HA GLU 25 - HB2 ARG 26 poor 7 30 - 23 - 55/3.9=4, ~5926=2...(6) HA GLU 25 - HB3 ARG 26 poor 6 29 - 23 - 55/3.9=4, ~5926=2...(6) HB THR 88 - HB2 ARG 27 lone 6 100 - 6 - ~3595=1, 534/4.1=1 HB THR 88 - HB3 ARG 27 lone 6 100 - 6 - ~3595=1, 534/4.1=1 HA GLU 25 - HB3 ARG 71 lone 6 65 - 9 - HA GLU 25 - HB2 ARG 71 lone 6 65 - 9 - HA ALA 30 - HB3 ARG 23 lone 6 62 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 23 lone 6 61 - 9 - 1285/3.0=1, ~5388=1 HA ALA 30 - HB2 ARG 26 poor 5 40 - 14 - 2.1/5537=2, ~4194=2...(7) HA ALA 30 - HB3 ARG 26 poor 5 38 - 14 - 2.1/5537=2, ~4194=2...(7) HA ARG 27 - HB2 ARG 66 lone 3 61 - 5 - HA ARG 23 - HB2 ARG 26 lone 3 51 - 6 - 534/4.6=1, 5341/3.9=1 HA ARG 23 - HB3 ARG 26 lone 3 49 - 6 - 534/4.6=1, 5341/3.9=1 HA ARG 27 - HB3 PRO 34 lone 3 48 - 6 - HA ARG 23 - HB2 ARG 66 lone 2 55 - 4 - HA GLN 91 - HB2 ARG 26 lone 2 43 - 5 - 5345/3.9=1, 3661/1.8=1 HA GLN 91 - HB3 ARG 26 lone 2 41 - 5 - 5345/3.9=1, 3661/1.8=1 HB THR 88 - HB3 ARG 23 lone 2 82 - 2 - HA ALA 30 - HB2 ARG 66 lone 2 43 - 5 - HB THR 88 - HB2 ARG 23 lone 2 81 - 3 - HB THR 88 - HB2 ARG 26 lone 2 56 - 4 - 3589/3.9=1, 534/4.6=1 HB THR 88 - HB3 ARG 26 lone 2 53 - 4 - 3589/3.9=1, 534/4.6=1 HA ASN 49 - HB3 ARG 23 lone 2 56 - 3 - HA ASN 49 - HB2 ARG 23 lone 1 55 - 3 - HA GLU 25 - HB3 ARG 23 lone 1 47 - 3 - HA GLU 25 - HB2 ARG 23 lone 1 47 - 3 - HA GLN 91 - HB3 ARG 27 lone 1 87 - 2 - HA GLN 91 - HB2 ARG 27 lone 1 87 - 2 - HB THR 88 - HB2 ARG 71 lone 1 100 - 1 - HB THR 88 - HB3 ARG 71 lone 1 100 - 1 - HA GLN 91 - HB3 ARG 23 lone 1 66 - 2 - HA GLN 91 - HB2 ARG 23 lone 1 65 - 2 - HA ASN 49 - HB3 ARG 27 lone 1 76 - 1 - HA ASN 49 - HB2 ARG 27 lone 1 76 - 1 - HA GLU 25 - HB2 ARG 66 lone 1 33 - 2 - HA GLN 91 - HB3 PRO 34 lone 1 36 - 2 - HA GLN 91 - HB3 ARG 71 lone 1 87 - 1 - HA GLN 91 - HB2 ARG 71 lone 1 87 - 1 - HA ARG 23 - HB3 PRO 34 lone 1 43 - 1 - HA GLN 91 - HB2 ARG 66 lone 0 46 - 1 - HA ASN 49 - HB3 ARG 71 lone 0 76 - 0 - HA ASN 49 - HB2 ARG 71 lone 0 76 - 0 - HA ALA 30 - HB3 PRO 34 lone 0 34 - 1 - HA ASN 49 - HB3 PRO 34 lone 0 30 - 1 - HB THR 88 - HB2 ARG 66 lone 0 60 - 1 - HA ASN 49 - HB2 ARG 26 lone 0 36 - 1 - HA ASN 49 - HB3 ARG 26 lone 0 34 - 1 - HA GLU 25 - HB3 PRO 34 lone 0 25 - 1 - HB THR 88 - HB3 PRO 34 lone 0 48 - 0 - HA ASN 49 - HB2 ARG 66 lone 0 39 - 0 - Peak 1432 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 81 81 - 100 HB2 ARG 23 + HB2 ARG 23 OK 80 80 - 100 HB2 ARG 66 - HB2 ARG 66 OK 39 39 - 100 HB3 PRO 34 - HB3 PRO 34 OK 33 33 - 100 HB2 ARG 26 - HB2 ARG 26 OK 30 30 - 100 HB3 ARG 26 - HB3 ARG 26 OK 27 27 - 100 Reference assignment not found: HB2 ARG 27 - HB3 ARG 27 Peak 1433 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: * HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 81 81 - 100 HB2 ARG 23 + HB2 ARG 23 OK 79 79 - 100 HB2 ARG 66 - HB2 ARG 66 OK 40 40 - 100 HB3 PRO 34 - HB3 PRO 34 OK 34 34 - 100 HB2 ARG 26 - HB2 ARG 26 OK 32 32 - 100 HB3 ARG 26 - HB3 ARG 26 OK 29 29 - 100 Peak 1434 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 8 out of 130 assignments used, quality = 1.00: * HG2 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 71 + HB3 ARG 71 OK 95 95 - 100 - 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 95 95 - 100 - 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 48 52 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 + HB3 ARG 26 OK 46 50 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 32 97 - 33 - 2932/2.8=2, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 32 97 - 33 - 2932/2.8=2, ~1391=2...(9) HG3 ARG 17 - HB2 ARG 71 OK 25 95 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 24 95 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB2 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG2 ARG 26 - HB3 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG3 ARG 70 - HB2 ARG 66 OK 19 45 - 42 - ~2867=3, ~2866=3...(18) HG2 ARG 71 - HB2 ARG 26 OK 17 50 - 35 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB3 ARG 26 OK 17 48 - 35 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 27 OK 16 96 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 16 96 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG3 ARG 70 - HB2 ARG 71 OK 13 85 - 16 - 5.0/777=2, ~5395=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 13 85 - 16 - 5.0/776=2, ~5395=1...(4) HG3 ARG 17 - HB2 ARG 27 OK 12 96 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 12 96 - 13 - HG2 ARG 17 - HB2 ARG 27 OK 12 94 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 12 95 - 13 - HG2 ARG 27 - HB2 ARG 26 OK 12 56 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB2 ARG 26 OK 12 56 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 11 85 - 13 - HG2 ARG 27 - HB2 ARG 23 OK 11 82 - 13 - HD3 LYS 32 - HB2 ARG 71 OK 11 85 - 13 - HG3 ARG 27 - HB2 ARG 23 OK 11 82 - 13 - HD2 LYS 32 - HB3 ARG 71 OK 10 80 - 13 - HD2 LYS 32 - HB2 ARG 71 OK 10 80 - 13 - HG2 ARG 26 - HB2 ARG 66 poor 8 56 - 15 - 1.8/1392=1 HG2 ARG 71 - HB2 ARG 66 poor 8 54 - 14 - 1.8/2931=1 HD3 LYS 73 - HB3 ARG 71 lone 7 80 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 7 80 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 7 80 - 9 - HD2 LYS 73 - HB2 ARG 71 lone 7 80 - 9 - HG3 ARG 17 - HB2 ARG 26 poor 7 50 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 6 49 - 13 - 1394/3.0=1 HG3 ARG 17 - HB3 ARG 26 poor 6 48 - 13 - 1394/3.0=1 HG2 ARG 17 - HB3 ARG 26 poor 6 47 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 75 - 8 - HG2 ARG 71 - HB2 ARG 23 lone 6 74 - 8 - HG2 ARG 71 - HB3 PRO 34 poor 6 43 - 13 - 1.8/2931=1 HD3 LYS 32 - HB3 PRO 34 poor 5 35 - 15 - HG3 ARG 17 - HB3 ARG 23 lone 5 75 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 74 - 7 - HG2 ARG 17 - HB3 ARG 23 lone 5 74 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 73 - 7 - HD2 LYS 32 - HB3 PRO 34 poor 5 33 - 15 - HB2 LEU 86 - HB2 ARG 71 lone 4 88 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 4 88 - 4 - HG3 ARG 27 - HB2 ARG 66 lone 4 60 - 6 - HG2 ARG 27 - HB2 ARG 66 lone 4 61 - 6 - HG2 ARG 26 - HB3 PRO 34 lone 3 44 - 8 - HG2 ARG 26 - HB3 ARG 23 lone 3 77 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 77 - 4 - HD3 LYS 32 - HB2 ARG 27 lone 3 85 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 3 85 - 4 - HG3 ARG 70 - HB2 ARG 26 lone 3 42 - 7 - HD2 LYS 32 - HB2 ARG 27 lone 3 81 - 4 - HD2 LYS 32 - HB3 ARG 27 lone 3 81 - 4 - HG3 ARG 70 - HB3 ARG 26 lone 3 40 - 7 - HG3 ARG 70 - HB2 ARG 27 lone 2 85 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 2 85 - 3 - HB2 LEU 86 - HB3 PRO 34 lone 2 38 - 6 - HD3 LYS 32 - HB2 ARG 26 lone 2 42 - 5 - HD3 LYS 32 - HB3 ARG 26 lone 2 40 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 44 - 4 - HB2 LEU 86 - HB2 ARG 27 lone 2 89 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 89 - 2 - HD2 LYS 32 - HB2 ARG 26 lone 2 39 - 5 - HB2 LEU 86 - HB3 ARG 26 lone 2 42 - 4 - HD2 LYS 32 - HB3 ARG 26 lone 2 37 - 5 - HG2 ARG 27 - HB3 PRO 34 lone 2 48 - 4 - HG3 ARG 27 - HB3 PRO 34 lone 2 48 - 4 - HG3 ARG 17 - HB2 ARG 66 lone 2 54 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 53 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 2 45 - 3 - HD2 LYS 32 - HB2 ARG 66 lone 1 42 - 3 - HD3 LYS 73 - HB2 ARG 27 lone 1 81 - 2 - HD2 LYS 73 - HB2 ARG 27 lone 1 81 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 81 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 81 - 2 - HB3 GLN 61 - HB2 ARG 66 lone 1 31 - 3 - HD2 LYS 73 - HB2 ARG 26 lone 1 39 - 2 - HD3 LYS 73 - HB2 ARG 26 lone 1 39 - 2 - HD2 LYS 73 - HB3 ARG 23 lone 1 60 - 2 - HD3 LYS 73 - HB3 ARG 23 lone 1 60 - 2 - HB2 LEU 86 - HB3 ARG 23 lone 1 67 - 1 - HD3 LYS 73 - HB2 ARG 23 lone 1 59 - 1 - HD2 LYS 73 - HB2 ARG 23 lone 1 59 - 1 - HB2 LEU 86 - HB2 ARG 23 lone 1 67 - 1 - HD3 LYS 73 - HB3 ARG 26 lone 1 37 - 2 - HD2 LYS 73 - HB3 ARG 26 lone 1 37 - 2 - HB3 GLN 61 - HB3 ARG 27 lone 1 63 - 1 - HB3 GLN 61 - HB2 ARG 27 lone 1 63 - 1 - HB3 GLN 61 - HB3 ARG 23 lone 1 45 - 2 - HB3 GLN 61 - HB2 ARG 23 lone 1 45 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 33 - 2 - HD3 LYS 73 - HB3 PRO 34 lone 1 33 - 2 - HB2 LEU 86 - HB2 ARG 66 lone 1 48 - 1 - HD3 LYS 32 - HB3 ARG 23 lone 1 64 - 1 - HD3 LYS 73 - HB2 ARG 66 lone 1 42 - 2 - HD2 LYS 73 - HB2 ARG 66 lone 1 42 - 2 - HD3 LYS 32 - HB2 ARG 23 lone 1 63 - 1 - HG3 ARG 70 - HB3 ARG 23 lone 1 64 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 63 - 1 - HD2 LYS 32 - HB3 ARG 23 lone 1 60 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 59 - 1 - HG3 ARG 17 - HB3 PRO 34 lone 0 43 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 0 42 - 1 - HB3 GLN 61 - HB3 ARG 71 lone 0 63 - 0 - HB3 GLN 61 - HB2 ARG 71 lone 0 63 - 0 - HG3 ARG 70 - HB3 PRO 34 lone 0 35 - 1 - HB3 GLN 61 - HB2 ARG 26 lone 0 29 - 0 - HB3 GLN 61 - HB3 ARG 26 lone 0 27 - 0 - HB3 GLN 61 - HB3 PRO 34 lone 0 24 - 0 - Peak 1435 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 7 out of 130 assignments used, quality = 1.00: * HG3 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG3 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB3 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 27 + HB2 ARG 27 OK 97 100 - 97 - 2.9=94, 1419/3.0=4...(18) HG2 ARG 71 + HB3 ARG 71 OK 94 94 - 100 - 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 94 94 - 100 - 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 47 51 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB3 ARG 26 OK 45 49 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 32 96 - 33 - 2932/2.8=2, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 32 96 - 33 - 2932/2.8=2, ~1391=2...(9) HG3 ARG 17 - HB2 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 24 94 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB2 ARG 71 OK 24 93 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 24 93 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 26 - HB2 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG2 ARG 26 - HB3 ARG 27 OK 21 97 - 22 - 1418/3.0=2, 537/4.1=2 HG3 ARG 70 - HB2 ARG 66 OK 18 43 - 42 - ~2867=3, ~2866=3...(17) HG2 ARG 71 - HB2 ARG 26 OK 17 49 - 35 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB3 ARG 26 OK 16 47 - 35 - 1394/3.0=3, ~2929=2...(10) HG3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 27 OK 16 94 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 16 95 - 17 - 1.8/2930=1, 537/4.1=1, 2923=1 HG3 ARG 70 - HB2 ARG 71 OK 13 83 - 16 - 5.0/777=2, ~5395=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 13 83 - 16 - 5.0/776=2, ~5395=1...(4) HG3 ARG 17 - HB2 ARG 27 OK 12 94 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 12 95 - 13 - HG2 ARG 17 - HB2 ARG 27 OK 12 93 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 12 93 - 13 - HG3 ARG 27 - HB2 ARG 26 OK 12 56 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB2 ARG 26 OK 12 56 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 538/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG2 ARG 27 - HB3 ARG 23 OK 11 83 - 13 - HG3 ARG 27 - HB2 ARG 23 OK 11 82 - 13 - HG2 ARG 27 - HB2 ARG 23 OK 11 82 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 11 83 - 13 - HD3 LYS 32 - HB2 ARG 71 OK 10 83 - 13 - HD2 LYS 32 - HB3 ARG 71 poor 10 78 - 12 - HD2 LYS 32 - HB2 ARG 71 poor 10 78 - 12 - HG2 ARG 26 - HB2 ARG 66 poor 8 55 - 15 - 1.8/1392=1 HG2 ARG 71 - HB2 ARG 66 poor 7 53 - 14 - 1.8/2931=1 HD3 LYS 73 - HB3 ARG 71 lone 7 78 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 7 78 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 7 78 - 9 - HD2 LYS 73 - HB2 ARG 71 lone 7 78 - 9 - HG3 ARG 17 - HB2 ARG 26 poor 6 49 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 6 48 - 13 - 1394/3.0=1 HG3 ARG 17 - HB3 ARG 26 poor 6 47 - 13 - 1394/3.0=1 HG2 ARG 17 - HB3 ARG 26 poor 6 46 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 74 - 8 - HG2 ARG 71 - HB2 ARG 23 lone 6 73 - 8 - HG2 ARG 71 - HB3 PRO 34 poor 5 42 - 13 - 1.8/2931=1 HD3 LYS 32 - HB3 PRO 34 poor 5 34 - 15 - HG3 ARG 17 - HB3 ARG 23 lone 5 74 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 73 - 7 - HG2 ARG 17 - HB3 ARG 23 lone 5 72 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 72 - 7 - HD2 LYS 32 - HB3 PRO 34 poor 5 32 - 15 - HB2 LEU 86 - HB2 ARG 71 lone 4 87 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 4 87 - 4 - HG3 ARG 27 - HB2 ARG 66 lone 4 61 - 6 - HG2 ARG 27 - HB2 ARG 66 lone 4 60 - 6 - HG2 ARG 26 - HB3 PRO 34 lone 3 43 - 8 - HG2 ARG 26 - HB3 ARG 23 lone 3 76 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 76 - 4 - HD3 LYS 32 - HB2 ARG 27 lone 3 83 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 3 83 - 4 - HG3 ARG 70 - HB2 ARG 26 lone 3 40 - 7 - HD2 LYS 32 - HB2 ARG 27 lone 3 78 - 4 - HD2 LYS 32 - HB3 ARG 27 lone 3 78 - 4 - HG3 ARG 70 - HB3 ARG 26 lone 3 38 - 7 - HG3 ARG 70 - HB2 ARG 27 lone 2 83 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 2 83 - 3 - HB2 LEU 86 - HB3 PRO 34 lone 2 36 - 6 - HD3 LYS 32 - HB2 ARG 26 lone 2 40 - 5 - HD3 LYS 32 - HB3 ARG 26 lone 2 38 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 43 - 4 - HB2 LEU 86 - HB2 ARG 27 lone 2 87 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 87 - 2 - HD2 LYS 32 - HB2 ARG 26 lone 2 37 - 5 - HB2 LEU 86 - HB3 ARG 26 lone 2 41 - 4 - HG3 ARG 27 - HB3 PRO 34 lone 2 48 - 4 - HG2 ARG 27 - HB3 PRO 34 lone 2 48 - 4 - HD2 LYS 32 - HB3 ARG 26 lone 2 36 - 5 - HG3 ARG 17 - HB2 ARG 66 lone 2 53 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 52 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 1 43 - 3 - HD2 LYS 32 - HB2 ARG 66 lone 1 40 - 3 - HD2 LYS 73 - HB2 ARG 27 lone 1 78 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 1 78 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 1 78 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 1 78 - 2 - HB3 GLN 61 - HB2 ARG 66 lone 1 33 - 3 - HB3 GLN 61 - HB3 ARG 27 lone 1 65 - 1 - HD2 LYS 73 - HB2 ARG 26 lone 1 37 - 2 - HD3 LYS 73 - HB2 ARG 26 lone 1 37 - 2 - HB3 GLN 61 - HB2 ARG 27 lone 1 65 - 1 - HD3 LYS 73 - HB3 ARG 23 lone 1 58 - 1 - HD2 LYS 73 - HB3 ARG 23 lone 1 58 - 1 - HB2 LEU 86 - HB3 ARG 23 lone 1 66 - 1 - HD3 LYS 73 - HB2 ARG 23 lone 1 57 - 1 - HD2 LYS 73 - HB2 ARG 23 lone 1 57 - 1 - HB2 LEU 86 - HB2 ARG 23 lone 1 65 - 1 - HD2 LYS 73 - HB3 ARG 26 lone 1 36 - 2 - HD3 LYS 73 - HB3 ARG 26 lone 1 36 - 2 - HB3 GLN 61 - HB3 ARG 23 lone 1 47 - 2 - HB3 GLN 61 - HB2 ARG 23 lone 1 47 - 2 - HD3 LYS 73 - HB3 PRO 34 lone 1 32 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 32 - 2 - HB2 LEU 86 - HB2 ARG 66 lone 1 46 - 1 - HD3 LYS 32 - HB3 ARG 23 lone 1 62 - 1 - HD3 LYS 32 - HB2 ARG 23 lone 1 61 - 1 - HD2 LYS 73 - HB2 ARG 66 lone 1 40 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 1 40 - 2 - HG3 ARG 70 - HB3 ARG 23 lone 1 62 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 61 - 1 - HD2 LYS 32 - HB3 ARG 23 lone 1 58 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 57 - 1 - HG3 ARG 17 - HB3 PRO 34 lone 0 42 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 0 41 - 1 - HB3 GLN 61 - HB3 ARG 71 lone 0 65 - 0 - HB3 GLN 61 - HB2 ARG 71 lone 0 65 - 0 - HG3 ARG 70 - HB3 PRO 34 lone 0 34 - 1 - HB3 GLN 61 - HB2 ARG 26 lone 0 30 - 0 - HB3 GLN 61 - HB3 ARG 26 lone 0 29 - 0 - HB3 GLN 61 - HB3 PRO 34 lone 0 25 - 0 - Peak 1436 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 14 out of 140 assignments used, quality = 1.00: HD3 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD3 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) * HD2 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 23 + HB3 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 23 + HB2 ARG 23 OK 73 81 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 73 81 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 71 + HB3 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 71 + HB2 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 26 + HB2 ARG 26 OK 50 55 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB2 ARG 26 OK 49 55 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 + HB3 ARG 26 OK 48 53 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB3 ARG 26 OK 47 52 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 66 - HB2 ARG 66 OK 41 46 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 66 - HB2 ARG 66 OK 39 43 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 27 OK 31 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 30 100 - 31 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 26 - HB2 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 26 - HB3 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 66 - HB3 ARG 71 OK 24 87 - 28 - ~5167=2, 3.0/2708=1...(8) HD3 ARG 66 - HB2 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 23 83 - 28 - ~5167=2, 3.0/2708=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD2 ARG 26 - HB2 ARG 66 OK 16 59 - 26 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 15 59 - 25 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 66 - HB2 ARG 26 OK 15 43 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 66 - HB3 ARG 26 OK 14 41 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB2 ARG 26 OK 14 40 - 35 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 13 82 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 OK 13 82 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 66 - HB3 ARG 26 OK 13 38 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 27 - HB2 ARG 26 OK 11 56 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB2 ARG 26 OK 11 56 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 84 - HB3 ARG 71 poor 9 83 - 11 - HD3 ARG 84 - HB2 ARG 71 poor 9 83 - 11 - HD2 ARG 71 - HB2 ARG 26 poor 9 27 - 32 - ~2929=2, 3.0/2931=2...(8) HD2 ARG 84 - HB2 ARG 71 poor 8 78 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 8 78 - 11 - HD3 ARG 66 - HB3 ARG 27 lone 8 87 - 9 - HD3 ARG 66 - HB2 ARG 27 lone 8 87 - 9 - HD2 ARG 71 - HB3 ARG 26 poor 8 26 - 32 - ~2929=2, 3.0/2931=2...(7) HD2 ARG 66 - HB3 ARG 27 lone 8 83 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 8 83 - 9 - HD2 ARG 71 - HB2 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 7 80 - 9 - HD2 ARG 17 - HB2 ARG 26 poor 7 53 - 14 - HD3 ARG 17 - HB2 ARG 26 poor 7 53 - 14 - HD2 ARG 17 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HB3 ARG 26 poor 7 51 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 7 51 - 14 - HD3 ARG 66 - HB3 ARG 23 lone 6 66 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 6 65 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 6 62 - 10 - HD2 ARG 66 - HB2 ARG 23 lone 6 61 - 10 - HD3 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 5 61 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 5 61 - 8 - HD2 ARG 26 - HB3 PRO 34 lone 5 47 - 10 - HD3 ARG 26 - HB3 PRO 34 lone 5 47 - 10 - HD2 ARG 71 - HB2 ARG 66 poor 4 29 - 15 - 3.0/2931=1 HD2 ARG 23 - HB2 ARG 26 lone 4 56 - 7 - HD3 ARG 23 - HB2 ARG 26 lone 4 56 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 4 53 - 7 - HD2 ARG 82 - HB3 ARG 23 lone 3 60 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 3 59 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 3 43 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 3 43 - 6 - HD2 ARG 17 - HB2 ARG 66 lone 2 57 - 4 - HD3 ARG 17 - HB2 ARG 66 lone 2 57 - 4 - HD3 ARG 84 - HB2 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB2 ARG 26 lone 2 40 - 5 - HD3 ARG 84 - HB3 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB3 ARG 26 lone 2 38 - 5 - HD2 ARG 84 - HB2 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB2 ARG 26 lone 2 37 - 5 - HD2 ARG 71 - HB3 PRO 34 lone 2 23 - 8 - 3.0/2931=1 HD2 ARG 84 - HB3 ARG 26 lone 2 36 - 5 - HD3 ARG 84 - HB3 ARG 23 lone 2 62 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 1 61 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 1 58 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 1 57 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 1 81 - 1 - HD3 ARG 66 - HB3 PRO 34 lone 1 36 - 3 - HD2 ARG 66 - HB3 PRO 34 lone 1 34 - 3 - HD3 ARG 27 - HB3 PRO 34 lone 1 48 - 2 - HD2 ARG 27 - HB3 PRO 34 lone 1 48 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 1 48 - 1 - HD3 ARG 23 - HB3 PRO 34 lone 1 48 - 1 - HD2 ARG 82 - HB3 PRO 34 lone 1 33 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 1 34 - 1 - HD2 ARG 84 - HB3 PRO 34 lone 0 32 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 0 45 - 1 - HD2 ARG 17 - HB3 PRO 34 lone 0 45 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 43 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 40 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 42 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 0 39 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 0 37 - 1 - Peak 1437 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 14 out of 140 assignments used, quality = 1.00: HD3 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB2 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) * HD3 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 27 + HB3 ARG 27 OK 89 100 - 89 - 3.5=78, 3.0/1449=3...(27) HD2 ARG 23 + HB3 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB3 ARG 23 OK 73 82 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 23 + HB2 ARG 23 OK 73 81 - 90 - 3.5=78, 2.9/1287=10...(23) HD3 ARG 23 + HB2 ARG 23 OK 73 81 - 90 - 3.5=78, 2.9/1287=10...(23) HD2 ARG 71 + HB3 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 71 + HB2 ARG 71 OK 51 60 - 86 - 3.5=78, 1.8/2946=3...(21) HD2 ARG 26 + HB2 ARG 26 OK 50 55 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB2 ARG 26 OK 49 55 - 90 - 3.5=83, 532/3.9=2...(17) HD2 ARG 26 + HB3 ARG 26 OK 48 53 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 26 + HB3 ARG 26 OK 47 52 - 90 - 3.5=83, 532/3.9=2...(17) HD3 ARG 66 - HB2 ARG 66 OK 41 46 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD2 ARG 26 - HB3 ARG 71 OK 41 100 - 42 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB2 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD3 ARG 26 - HB3 ARG 71 OK 41 99 - 41 - ~1391=2, ~2935=2...(7) HD2 ARG 66 - HB2 ARG 66 OK 39 43 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 26 - HB2 ARG 27 OK 31 100 - 31 - 5382/4.1=2, 1420/3.0=2 HD2 ARG 26 - HB3 ARG 27 OK 30 100 - 31 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 26 - HB2 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD3 ARG 26 - HB3 ARG 27 OK 30 99 - 31 - 5382/4.1=2, 1421/3.0=2 HD2 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB2 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 23 - HB3 ARG 27 OK 28 100 - 29 - 2.9/1287=3, ~1285=2...(9) HD2 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB2 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD2 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 17 - HB3 ARG 71 OK 25 98 - 26 - 3.6/1164=2, ~2934=1...(4) HD3 ARG 66 - HB3 ARG 71 OK 24 87 - 28 - ~5167=2, 3.0/2708=1...(8) HD3 ARG 66 - HB2 ARG 71 OK 24 87 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 66 - HB3 ARG 71 OK 23 83 - 28 - ~5167=2, 3.0/2708=1...(8) HD2 ARG 66 - HB2 ARG 71 OK 23 83 - 28 - ~5167=2, ~5165=1...(8) HD2 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB2 ARG 71 OK 16 100 - 16 - HD2 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD3 ARG 27 - HB3 ARG 71 OK 16 100 - 16 - HD2 ARG 26 - HB2 ARG 66 OK 16 59 - 26 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 26 - HB2 ARG 66 OK 15 59 - 25 - 2713/2.8=1, 3.0/1392=1...(5) HD3 ARG 66 - HB2 ARG 26 OK 15 43 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB2 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD2 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 23 - HB3 ARG 71 OK 14 100 - 14 - 2.9/1287=1 HD3 ARG 66 - HB3 ARG 26 OK 14 41 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 66 - HB2 ARG 26 OK 14 40 - 35 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB2 ARG 27 OK 13 98 - 14 - HD3 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 17 - HB3 ARG 27 OK 13 98 - 14 - HD2 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB3 ARG 23 OK 13 83 - 16 - 1290/3.0=1, 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 OK 13 82 - 16 - 1291/3.0=1, 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 OK 13 82 - 16 - 1291/3.0=1, 5300/4.2=1 HD2 ARG 66 - HB3 ARG 26 OK 13 38 - 34 - 3.0/2708=2, 3.0/2700=2...(9) HD2 ARG 27 - HB2 ARG 26 OK 11 56 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB2 ARG 26 OK 11 56 - 21 - 5382/4.6=2, 1396/3.0=1 HD2 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 27 - HB3 ARG 26 OK 11 54 - 21 - 5382/4.6=2, 1396/3.0=1 HD3 ARG 84 - HB3 ARG 71 poor 9 83 - 11 - HD3 ARG 84 - HB2 ARG 71 poor 9 83 - 11 - HD2 ARG 71 - HB2 ARG 26 poor 9 27 - 32 - ~2929=2, 3.0/2931=2...(8) HD2 ARG 84 - HB2 ARG 71 poor 8 78 - 11 - HD2 ARG 84 - HB3 ARG 71 poor 8 78 - 11 - HD3 ARG 66 - HB3 ARG 27 lone 8 87 - 9 - HD3 ARG 66 - HB2 ARG 27 lone 8 87 - 9 - HD2 ARG 71 - HB3 ARG 26 poor 8 26 - 32 - ~2929=2, 3.0/2931=2...(7) HD2 ARG 66 - HB3 ARG 27 lone 8 83 - 9 - HD2 ARG 66 - HB2 ARG 27 lone 8 83 - 9 - HD2 ARG 71 - HB2 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 71 - HB3 ARG 27 poor 8 60 - 13 - 3.0/2930=1 HD2 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB3 ARG 23 lone 7 81 - 9 - HD2 ARG 26 - HB2 ARG 23 lone 7 81 - 9 - HD3 ARG 26 - HB2 ARG 23 lone 7 80 - 9 - HD2 ARG 17 - HB2 ARG 26 poor 7 53 - 14 - HD3 ARG 17 - HB2 ARG 26 poor 7 53 - 14 - HD2 ARG 17 - HB3 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB3 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD3 ARG 17 - HB2 ARG 23 lone 7 78 - 9 - HD2 ARG 17 - HB3 ARG 26 poor 7 51 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 7 51 - 14 - HD3 ARG 66 - HB3 ARG 23 lone 6 66 - 9 - HD3 ARG 66 - HB2 ARG 23 lone 6 65 - 9 - HD2 ARG 66 - HB3 ARG 23 lone 6 62 - 10 - HD2 ARG 66 - HB2 ARG 23 lone 6 61 - 10 - HD3 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 5 60 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 5 61 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 5 61 - 8 - HD2 ARG 26 - HB3 PRO 34 lone 5 47 - 10 - HD3 ARG 26 - HB3 PRO 34 lone 5 47 - 10 - HD2 ARG 71 - HB2 ARG 66 poor 4 29 - 15 - 3.0/2931=1 HD2 ARG 23 - HB2 ARG 26 lone 4 56 - 7 - HD3 ARG 23 - HB2 ARG 26 lone 4 56 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 4 53 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 4 53 - 7 - HD2 ARG 82 - HB3 ARG 23 lone 3 60 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 3 59 - 5 - HD2 ARG 71 - HB3 ARG 23 lone 3 43 - 6 - HD2 ARG 71 - HB2 ARG 23 lone 3 43 - 6 - HD2 ARG 17 - HB2 ARG 66 lone 2 57 - 4 - HD3 ARG 17 - HB2 ARG 66 lone 2 57 - 4 - HD3 ARG 84 - HB2 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB2 ARG 26 lone 2 40 - 5 - HD3 ARG 84 - HB3 ARG 27 lone 2 83 - 2 - HD3 ARG 84 - HB3 ARG 26 lone 2 38 - 5 - HD2 ARG 84 - HB2 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB3 ARG 27 lone 2 78 - 2 - HD2 ARG 84 - HB2 ARG 26 lone 2 37 - 5 - HD2 ARG 71 - HB3 PRO 34 lone 2 23 - 8 - 3.0/2931=1 HD2 ARG 84 - HB3 ARG 26 lone 2 36 - 5 - HD3 ARG 84 - HB3 ARG 23 lone 2 62 - 2 - HD3 ARG 84 - HB2 ARG 23 lone 1 61 - 2 - HD2 ARG 84 - HB3 ARG 23 lone 1 58 - 2 - HD2 ARG 84 - HB2 ARG 23 lone 1 57 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB2 ARG 71 lone 1 80 - 1 - HD2 ARG 82 - HB3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HB2 ARG 27 lone 1 81 - 1 - HD3 ARG 66 - HB3 PRO 34 lone 1 36 - 3 - HD2 ARG 66 - HB3 PRO 34 lone 1 34 - 3 - HD3 ARG 27 - HB3 PRO 34 lone 1 48 - 2 - HD2 ARG 27 - HB3 PRO 34 lone 1 48 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 1 48 - 1 - HD3 ARG 23 - HB3 PRO 34 lone 1 48 - 1 - HD2 ARG 82 - HB3 PRO 34 lone 1 33 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 1 34 - 1 - HD2 ARG 84 - HB3 PRO 34 lone 0 32 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 0 45 - 1 - HD2 ARG 17 - HB3 PRO 34 lone 0 45 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 0 43 - 1 - HD2 ARG 84 - HB2 ARG 66 lone 0 40 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 0 42 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 0 39 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 0 37 - 1 - Peak 1438 from cnoeabs.peaks (8.18, 1.63, 27.31 ppm; 4.12 A): 3 out of 42 assignments used, quality = 0.99: * H ARG 27 + HG2 ARG 27 OK 85 100 - 85 - 5.0=57, 538/1.8=10...(26) H ARG 27 + HG3 ARG 27 OK 85 100 - 85 - 5.0=57, 538/1.8=10...(26) H ARG 27 + HG2 ARG 26 OK 51 89 - 57 - 5380/4.9=14, 63/3.0=9...(13) H GLU 25 - HG2 ARG 26 OK 23 62 - 38 - 904/4.9=11, 520/3.7=5...(11) H ARG 27 - HG3 ARG 17 OK 22 83 - 26 - 537=3, 65/2.9=3...(10) H ARG 27 - HG2 ARG 17 OK 21 82 - 26 - 537=3, 65/2.9=3...(10) H GLU 25 - HG2 ARG 27 OK 17 76 - 23 - 3.6/5346=3, 4.6/529=3...(7) H GLU 25 - HG3 ARG 27 OK 17 76 - 23 - 3.6/5346=3, 4.6/529=3...(7) H ILE 89 - HG2 ARG 27 OK 10 100 - 10 - 409/3.8=4, 877/2.9=1, 4.0/5100=1 H ILE 89 - HG3 ARG 27 OK 10 100 - 10 - 409/3.8=4, 877/2.9=1, 4.0/5100=1 H ARG 84 - HG3 ARG 17 poor 7 60 - 11 - 5890/2.9=1 H ILE 89 - HG3 ARG 17 lone 6 82 - 8 - 408/4.0=2, 877/2.9=2 H ARG 27 - HG3 ARG 70 lone 6 73 - 9 - 5380/5.0=3, 64=1 H ARG 84 - HG2 ARG 17 poor 6 59 - 11 - 5890/2.9=1 H ILE 89 - HG2 ARG 17 lone 6 81 - 8 - 408/4.0=2, 877/2.9=2 H ARG 84 - HG2 ARG 26 lone 3 66 - 5 - H ILE 89 - HG2 ARG 26 lone 3 88 - 4 - H GLU 25 - HG3 ARG 70 lone 3 48 - 7 - 5085/4.0=2, 904/5.0=2 H ARG 84 - HG2 ARG 27 lone 3 81 - 4 - H ARG 84 - HG3 ARG 27 lone 3 81 - 4 - H GLU 25 - HG3 ARG 17 lone 3 56 - 5 - H GLU 25 - HG2 ARG 17 lone 3 55 - 5 - H ARG 84 - HG3 ARG 70 lone 2 52 - 5 - H THR 15 - HG2 ARG 26 lone 2 55 - 4 - H ASN 74 - HG2 ARG 26 lone 2 55 - 3 - H LEU 57 - HG3 ARG 70 lone 1 40 - 3 - 692/2.9=1, 692/2.9=1 H ASN 74 - HG3 ARG 70 lone 1 42 - 3 - 4.5/792=1 H ASN 74 - HG2 ARG 27 lone 1 68 - 2 - H ASN 74 - HG3 ARG 27 lone 1 68 - 2 - H LEU 57 - HG3 ARG 27 lone 1 65 - 2 - H LEU 57 - HG2 ARG 27 lone 1 65 - 2 - H ASN 74 - HG3 ARG 17 lone 1 50 - 2 - H ILE 89 - HG3 ARG 70 lone 1 72 - 2 - H ASN 74 - HG2 ARG 17 lone 1 49 - 2 - H LEU 57 - HG2 ARG 26 lone 1 53 - 2 - H THR 15 - HG2 ARG 27 lone 1 68 - 2 - H THR 15 - HG3 ARG 27 lone 1 68 - 2 - H THR 15 - HG3 ARG 17 lone 1 50 - 1 - H THR 15 - HG2 ARG 17 lone 1 49 - 1 - H LEU 57 - HG3 ARG 17 lone 1 48 - 1 - H LEU 57 - HG2 ARG 17 lone 1 47 - 1 - H THR 15 - HG3 ARG 70 lone 1 42 - 1 - Peak 1439 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 42 assignments used, quality = 1.00: HA ARG 27 + HG3 ARG 27 OK 94 100 - 94 - 3.8=84, 1419/1.8=9...(30) * HA ARG 27 + HG2 ARG 27 OK 94 100 - 94 - 3.8=84, 1419/1.8=9...(30) HA ARG 27 - HG2 ARG 26 OK 36 89 - 40 - 5345/4.9=5, 1418=5...(17) HA ARG 27 - HG3 ARG 17 OK 16 83 - 19 - 1418=2, 1418/1.8=2...(6) HA ARG 27 - HG2 ARG 17 OK 16 82 - 19 - 1418=2, 1418/1.8=2...(7) HA ARG 23 - HG3 ARG 27 OK 15 97 - 16 - 534/5.0=2, 1419=1...(5) HA ARG 23 - HG2 ARG 27 OK 15 97 - 16 - 534/5.0=2, 1419=1...(5) HA GLU 25 - HG2 ARG 26 OK 11 53 - 22 - 3.6/529=5, ~5926=4...(7) HA GLU 25 - HG2 ARG 27 OK 10 65 - 16 - 3.6/529=3, 534/5.0=2...(6) HA GLU 25 - HG3 ARG 27 OK 10 65 - 16 - 3.6/529=3, 534/5.0=2...(6) HA ALA 30 - HG2 ARG 27 lone 7 83 - 8 - ~5537=2, 534/5.0=2 HA ALA 30 - HG2 ARG 26 lone 7 68 - 10 - ~4194=2, ~5537=2...(6) HA ALA 30 - HG3 ARG 27 lone 7 83 - 8 - ~5537=2, 534/5.0=2 HA ARG 23 - HG2 ARG 26 lone 5 83 - 6 - 5341/4.9=1 HA GLN 91 - HG2 ARG 26 lone 4 72 - 6 - 3661/3.0=1, 3661/3.0=1 HB THR 88 - HG2 ARG 27 lone 4 100 - 4 - 534/5.0=1 HB THR 88 - HG3 ARG 27 lone 4 100 - 4 - 534/5.0=1 HA ARG 23 - HG3 ARG 17 lone 4 77 - 5 - HA ARG 23 - HG2 ARG 17 lone 4 75 - 5 - HB THR 88 - HG2 ARG 26 lone 3 89 - 3 - 3589/4.9=1 HB THR 88 - HG3 ARG 17 lone 3 82 - 3 - HA ARG 27 - HG3 ARG 70 lone 3 73 - 3 - HB THR 88 - HG2 ARG 17 lone 3 81 - 3 - HA GLU 25 - HG3 ARG 17 lone 2 48 - 4 - HA GLU 25 - HG2 ARG 17 lone 2 47 - 4 - HA GLN 91 - HG2 ARG 27 lone 1 87 - 1 - HA GLN 91 - HG3 ARG 27 lone 1 87 - 1 - HA GLU 25 - HG3 ARG 70 lone 1 40 - 3 - HA ALA 30 - HG3 ARG 70 lone 1 53 - 2 - HA ARG 23 - HG3 ARG 70 lone 1 67 - 1 - HA ALA 30 - HG3 ARG 17 lone 1 62 - 1 - HA ALA 30 - HG2 ARG 17 lone 1 61 - 1 - HA ASN 49 - HG2 ARG 27 lone 1 76 - 1 - HA ASN 49 - HG3 ARG 27 lone 1 76 - 1 - HB THR 88 - HG3 ARG 70 lone 1 72 - 1 - HA ASN 49 - HG2 ARG 26 lone 1 62 - 1 - HA GLN 91 - HG3 ARG 17 lone 0 66 - 1 - HA GLN 91 - HG2 ARG 17 lone 0 65 - 1 - HA ASN 49 - HG3 ARG 17 lone 0 56 - 1 - HA ASN 49 - HG2 ARG 17 lone 0 55 - 1 - HA ASN 49 - HG3 ARG 70 lone 0 48 - 1 - HA GLN 91 - HG3 ARG 70 lone 0 57 - 1 - Peak 1440 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 6 out of 84 assignments used, quality = 1.00: HB2 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) * HB2 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 17 + HG3 ARG 17 OK 60 74 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 17 + HG2 ARG 17 OK 59 73 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 26 - HG2 ARG 26 OK 40 53 - 76 - 3.0=70, 3.9/529=2...(9) HB3 ARG 26 - HG2 ARG 26 OK 38 50 - 76 - 3.0=70, 3.9/529=2...(9) HB2 ARG 71 - HG2 ARG 26 OK 25 89 - 28 - 2.8/2932=2, ~1391=2...(7) HB3 ARG 71 - HG2 ARG 26 OK 25 89 - 28 - 2.8/2932=2, ~1391=2...(7) HB2 ARG 71 - HG3 ARG 17 OK 18 83 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG3 ARG 17 OK 18 83 - 22 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 71 - HG2 ARG 17 OK 17 82 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG2 ARG 17 OK 17 82 - 22 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 66 - HG3 ARG 70 OK 17 48 - 35 - ~2867=3, ~2866=3...(13) HB2 ARG 27 - HG2 ARG 26 OK 15 89 - 17 - 3.0/1418=1, 4.1/537=1 HB3 ARG 27 - HG2 ARG 26 OK 15 89 - 17 - 3.0/1418=1, 4.1/537=1 HB2 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB2 ARG 26 - HG2 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB2 ARG 26 - HG3 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG2 ARG 27 poor 10 63 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG3 ARG 27 poor 10 63 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 23 - HG3 ARG 27 poor 10 100 - 10 - HB3 ARG 23 - HG2 ARG 27 poor 10 100 - 10 - HB2 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 17 - HG2 ARG 27 poor 10 95 - 10 - HB2 ARG 17 - HG3 ARG 27 poor 10 94 - 10 - HB2 ARG 71 - HG3 ARG 70 poor 10 73 - 13 - 777/5.0=2, 2.8/2932=1, ~5395=1 HB3 ARG 71 - HG3 ARG 70 poor 10 73 - 13 - 776/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 27 - HG3 ARG 17 poor 9 83 - 11 - HB3 ARG 27 - HG3 ARG 17 poor 9 83 - 10 - HB2 ARG 27 - HG2 ARG 17 poor 9 82 - 10 - HB3 ARG 27 - HG2 ARG 17 poor 9 82 - 10 - HB2 ARG 17 - HG2 ARG 26 poor 8 80 - 10 - 1157/1.8=1 HB2 ARG 66 - HG2 ARG 26 poor 7 62 - 12 - HB2 ARG 26 - HG3 ARG 17 poor 5 48 - 11 - 3.0/1394=1 HB2 ARG 26 - HG2 ARG 17 poor 5 47 - 11 - 3.0/1394=1 HB3 ARG 26 - HG3 ARG 17 poor 5 46 - 11 - 3.0/1394=1 HB3 ARG 26 - HG2 ARG 17 poor 5 45 - 11 - 3.0/1394=1 HB3 ARG 23 - HG3 ARG 17 lone 4 82 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 4 81 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 4 81 - 5 - HB2 ARG 23 - HG2 ARG 17 lone 4 80 - 5 - HB3 PRO 34 - HG2 ARG 26 lone 4 66 - 6 - HB2 ARG 66 - HG3 ARG 27 lone 3 76 - 4 - HB2 ARG 66 - HG2 ARG 27 lone 3 76 - 4 - HB3 ARG 23 - HG2 ARG 26 lone 3 88 - 3 - HB2 ARG 23 - HG2 ARG 26 lone 3 87 - 3 - HB2 ARG 26 - HG3 ARG 70 lone 2 40 - 6 - HB3 ARG 26 - HG3 ARG 70 lone 2 39 - 6 - HB3 PRO 34 - HG3 ARG 27 lone 2 81 - 3 - HB3 PRO 34 - HG2 ARG 27 lone 2 81 - 3 - HB ILE 89 - HG2 ARG 27 lone 2 60 - 4 - HB ILE 89 - HG3 ARG 27 lone 2 60 - 4 - HB2 LYS 75 - HG3 ARG 70 lone 2 68 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 2 83 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 2 82 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HB2 ARG 17 - HG3 ARG 70 lone 1 64 - 2 - HB2 LYS 39 - HG3 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HG2 ARG 27 lone 1 100 - 1 - HB2 ARG 66 - HG3 ARG 17 lone 1 56 - 2 - HB2 ARG 66 - HG2 ARG 17 lone 1 55 - 2 - HB ILE 89 - HG3 ARG 17 lone 1 43 - 3 - HB ILE 89 - HG2 ARG 17 lone 1 42 - 3 - HB2 LYS 75 - HG3 ARG 17 lone 1 78 - 1 - HB2 LYS 75 - HG2 ARG 17 lone 1 77 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 1 89 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 73 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 72 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 71 - 1 - HB ILE 89 - HG2 ARG 26 lone 1 48 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 0 60 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 84 - 0 - HB3 PRO 34 - HG2 ARG 17 lone 0 59 - 1 - HB3 PRO 34 - HG3 ARG 70 lone 0 52 - 1 - HB ILE 89 - HG3 ARG 70 lone 0 37 - 1 - Peak 1441 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 6 out of 78 assignments used, quality = 1.00: HB2 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) * HB3 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 17 + HG3 ARG 17 OK 59 73 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 17 + HG2 ARG 17 OK 58 71 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 26 - HG2 ARG 26 OK 42 55 - 76 - 3.0=70, 3.9/529=2...(9) HB3 ARG 26 - HG2 ARG 26 OK 40 53 - 76 - 3.0=70, 3.9/529=2...(9) HB2 ARG 71 - HG2 ARG 26 OK 25 89 - 28 - 2.8/2932=2, ~1391=2...(7) HB3 ARG 71 - HG2 ARG 26 OK 25 89 - 28 - 2.8/2932=2, ~1391=2...(7) HB2 ARG 71 - HG3 ARG 17 OK 18 83 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG3 ARG 17 OK 18 83 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 66 - HG3 ARG 70 OK 17 50 - 35 - ~2867=3, ~2866=3...(13) HB2 ARG 71 - HG2 ARG 17 OK 17 82 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG2 ARG 17 OK 17 82 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 27 - HG2 ARG 26 OK 15 89 - 17 - 3.0/1418=1, 4.1/537=1 HB3 ARG 27 - HG2 ARG 26 OK 15 89 - 17 - 3.0/1418=1, 4.1/537=1 HB2 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB2 ARG 26 - HG2 ARG 27 OK 11 68 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB2 ARG 26 - HG3 ARG 27 OK 11 68 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG2 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG3 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB3 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 17 - HG2 ARG 27 poor 10 93 - 10 - HB2 ARG 17 - HG3 ARG 27 poor 10 93 - 10 - HB3 ARG 71 - HG3 ARG 70 poor 10 73 - 13 - 776/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 71 - HG3 ARG 70 poor 10 73 - 13 - 777/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 27 - HG3 ARG 17 poor 9 83 - 10 - HB3 ARG 27 - HG3 ARG 17 poor 9 83 - 10 - HB2 ARG 27 - HG2 ARG 17 poor 9 82 - 10 - HB3 ARG 27 - HG2 ARG 17 poor 9 82 - 10 - HB2 ARG 17 - HG2 ARG 26 poor 8 79 - 10 - 1157/1.8=1 HB2 ARG 66 - HG2 ARG 26 poor 7 64 - 12 - HB2 ARG 26 - HG3 ARG 17 poor 5 50 - 11 - 3.0/1394=1 HB2 ARG 26 - HG2 ARG 17 poor 5 49 - 11 - 3.0/1394=1 HB3 ARG 26 - HG3 ARG 17 poor 5 48 - 11 - 3.0/1394=1 HB3 ARG 26 - HG2 ARG 17 poor 5 47 - 11 - 3.0/1394=1 HB3 PRO 34 - HG2 ARG 26 lone 4 68 - 6 - HB3 ARG 23 - HG3 ARG 17 lone 4 81 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 4 81 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 4 80 - 5 - HB2 ARG 23 - HG2 ARG 17 lone 4 79 - 5 - HB2 ARG 66 - HG3 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HG2 ARG 27 lone 4 78 - 5 - HB3 ARG 23 - HG2 ARG 26 lone 3 87 - 3 - HB2 ARG 23 - HG2 ARG 26 lone 3 87 - 3 - HB2 ARG 26 - HG3 ARG 70 lone 3 42 - 6 - HB3 ARG 26 - HG3 ARG 70 lone 2 40 - 6 - HB3 PRO 34 - HG3 ARG 27 lone 2 83 - 3 - HB3 PRO 34 - HG2 ARG 27 lone 2 83 - 3 - HB2 LYS 75 - HG3 ARG 70 lone 2 67 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 2 83 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 2 82 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HB2 ARG 17 - HG3 ARG 70 lone 1 63 - 2 - HB2 ARG 66 - HG3 ARG 17 lone 1 58 - 2 - HB2 ARG 66 - HG2 ARG 17 lone 1 57 - 2 - HB2 LYS 39 - HG3 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HG2 ARG 27 lone 1 100 - 1 - HB2 LYS 75 - HG3 ARG 17 lone 1 77 - 1 - HB2 LYS 75 - HG2 ARG 17 lone 1 75 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 1 89 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 73 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 71 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 0 62 - 1 - HB3 PRO 34 - HG2 ARG 17 lone 0 61 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 83 - 0 - HB3 PRO 34 - HG3 ARG 70 lone 0 53 - 1 - Peak 1442 from cnoeabs.peaks (1.63, 1.63, 27.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 HG3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 HG2 ARG 26 + HG2 ARG 26 OK 84 84 - 100 HG3 ARG 17 + HG3 ARG 17 OK 76 76 - 100 HG2 ARG 17 + HG2 ARG 17 OK 73 73 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 Peak 1443 from cnoeabs.peaks (1.63, 1.63, 27.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 HG3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 HG2 ARG 26 + HG2 ARG 26 OK 83 83 - 100 HG3 ARG 17 + HG3 ARG 17 OK 74 74 - 100 HG2 ARG 17 + HG2 ARG 17 OK 71 71 - 100 HG3 ARG 70 + HG3 ARG 70 OK 53 53 - 100 Reference assignment not found: HG3 ARG 27 - HG2 ARG 27 Peak 1444 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.07 A): 10 out of 84 assignments used, quality = 1.00: * HD2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 26 - HG3 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 66 - HG3 ARG 70 OK 20 57 - 36 - ~2703=3, ~2867=2...(14) HD3 ARG 26 - HG2 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 66 - HG3 ARG 70 OK 19 53 - 35 - ~2703=3, ~2867=2...(14) HD2 ARG 26 - HG3 ARG 17 OK 14 82 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 14 80 - 17 - 3.0/1394=2 HD3 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD3 ARG 66 - HG2 ARG 26 OK 12 72 - 17 - HD3 ARG 27 - HG2 ARG 26 OK 12 89 - 13 - HD2 ARG 27 - HG2 ARG 26 OK 12 89 - 13 - HD2 ARG 66 - HG2 ARG 26 OK 12 68 - 17 - HD2 ARG 71 - HG2 ARG 26 OK 10 48 - 22 - 3.0/2932=3, ~1394=2 HD3 ARG 27 - HG3 ARG 17 poor 8 83 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 83 - 10 - HD3 ARG 17 - HG2 ARG 26 lone 8 85 - 10 - HD2 ARG 17 - HG2 ARG 26 lone 8 85 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 8 82 - 10 - HD2 ARG 71 - HG3 ARG 17 poor 8 43 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 poor 8 42 - 19 - 3.0/2932=2, ~2932=1 HD3 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 71 - HG2 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 23 - HG3 ARG 17 lone 6 82 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 6 82 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 6 81 - 8 - HD3 ARG 66 - HG3 ARG 27 lone 6 87 - 7 - HD3 ARG 66 - HG2 ARG 27 lone 6 87 - 7 - HD2 ARG 66 - HG3 ARG 27 lone 6 83 - 7 - HD2 ARG 66 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 84 - HG3 ARG 17 lone 5 62 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 5 61 - 8 - HD2 ARG 71 - HG3 ARG 70 poor 5 37 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD2 ARG 84 - HG3 ARG 17 lone 4 58 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 4 57 - 8 - HD2 ARG 26 - HG3 ARG 70 lone 4 72 - 6 - HD3 ARG 26 - HG3 ARG 70 lone 4 71 - 5 - HD2 ARG 23 - HG2 ARG 26 lone 4 89 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 4 89 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 66 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 62 - 4 - HD2 ARG 66 - HG2 ARG 17 lone 2 61 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 68 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 2 69 - 3 - HD2 ARG 17 - HG3 ARG 70 lone 2 69 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 64 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 2 53 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 50 - 3 - HD3 ARG 84 - HG2 ARG 27 lone 1 83 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 83 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 78 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 78 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 72 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 72 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 60 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 1 59 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 66 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 0 52 - 1 - Peak 1445 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.07 A): 10 out of 84 assignments used, quality = 1.00: HD2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 * HD3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 26 - HG3 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 66 - HG3 ARG 70 OK 20 57 - 36 - ~2703=3, ~2867=2...(14) HD3 ARG 26 - HG2 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 66 - HG3 ARG 70 OK 19 53 - 35 - ~2703=3, ~2867=2...(14) HD2 ARG 26 - HG3 ARG 17 OK 14 82 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD2 ARG 26 - HG2 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 14 80 - 17 - 3.0/1394=2 HD3 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD3 ARG 66 - HG2 ARG 26 OK 12 72 - 17 - HD3 ARG 27 - HG2 ARG 26 OK 12 89 - 13 - HD2 ARG 27 - HG2 ARG 26 OK 12 89 - 13 - HD2 ARG 66 - HG2 ARG 26 OK 12 68 - 17 - HD2 ARG 71 - HG2 ARG 26 OK 10 48 - 22 - 3.0/2932=3, ~1394=2 HD3 ARG 27 - HG3 ARG 17 poor 8 83 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 83 - 10 - HD3 ARG 17 - HG2 ARG 26 lone 8 85 - 10 - HD2 ARG 17 - HG2 ARG 26 lone 8 85 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 8 82 - 10 - HD2 ARG 71 - HG3 ARG 17 poor 8 43 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 poor 8 42 - 19 - 3.0/2932=2, ~2932=1 HD3 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 71 - HG2 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 23 - HG3 ARG 17 lone 6 82 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 6 82 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 6 81 - 8 - HD3 ARG 66 - HG3 ARG 27 lone 6 87 - 7 - HD3 ARG 66 - HG2 ARG 27 lone 6 87 - 7 - HD2 ARG 66 - HG3 ARG 27 lone 6 83 - 7 - HD2 ARG 66 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 84 - HG3 ARG 17 lone 5 62 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 5 61 - 8 - HD2 ARG 71 - HG3 ARG 70 poor 5 37 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD2 ARG 84 - HG3 ARG 17 lone 4 58 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 4 57 - 8 - HD2 ARG 26 - HG3 ARG 70 lone 4 72 - 6 - HD3 ARG 26 - HG3 ARG 70 lone 4 71 - 5 - HD2 ARG 23 - HG2 ARG 26 lone 4 89 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 4 89 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 66 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 3 65 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 62 - 4 - HD2 ARG 66 - HG2 ARG 17 lone 2 61 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 68 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 2 69 - 3 - HD2 ARG 17 - HG3 ARG 70 lone 2 69 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 64 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 2 53 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 2 73 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 50 - 3 - HD3 ARG 84 - HG2 ARG 27 lone 1 83 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 83 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 78 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 78 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 72 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 72 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 60 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 1 59 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 66 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 0 52 - 1 - Peak 1447 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 42 assignments used, quality = 1.00: * HA ARG 27 + HG3 ARG 27 OK 94 100 - 94 - 3.8=84, 1419/1.8=9...(30) HA ARG 27 + HG2 ARG 27 OK 94 100 - 94 - 3.8=84, 1419/1.8=9...(30) HA ARG 27 - HG2 ARG 26 OK 35 88 - 40 - 5345/4.9=5, 1418=5...(17) HA ARG 27 - HG3 ARG 17 OK 16 82 - 19 - 1418=2, 1418/1.8=2...(6) HA ARG 27 - HG2 ARG 17 OK 16 80 - 19 - 1418=2, 1418/1.8=2...(7) HA ARG 23 - HG3 ARG 27 OK 15 97 - 16 - 534/5.0=2, 1419=1...(5) HA ARG 23 - HG2 ARG 27 OK 15 97 - 16 - 534/5.0=2, 1419=1...(5) HA GLU 25 - HG2 ARG 26 OK 11 52 - 21 - 3.6/529=5, ~5926=4...(7) HA GLU 25 - HG2 ARG 27 OK 10 65 - 16 - 3.6/529=3, 534/5.0=2...(6) HA GLU 25 - HG3 ARG 27 OK 10 65 - 16 - 3.6/529=3, 534/5.0=2...(6) HA ALA 30 - HG3 ARG 27 lone 7 83 - 8 - ~5537=2, 534/5.0=2 HA ALA 30 - HG2 ARG 27 lone 7 83 - 8 - ~5537=2, 534/5.0=2 HA ALA 30 - HG2 ARG 26 lone 7 67 - 10 - ~4194=2, ~5537=2...(6) HA ARG 23 - HG2 ARG 26 lone 5 82 - 6 - 5341/4.9=1 HA GLN 91 - HG2 ARG 26 lone 4 71 - 6 - 3661/3.0=1, 3661/3.0=1 HB THR 88 - HG2 ARG 27 lone 4 100 - 4 - 534/5.0=1 HB THR 88 - HG3 ARG 27 lone 4 100 - 4 - 534/5.0=1 HA ARG 23 - HG3 ARG 17 lone 4 75 - 5 - HA ARG 23 - HG2 ARG 17 lone 4 74 - 5 - HB THR 88 - HG2 ARG 26 lone 3 87 - 3 - 3589/4.9=1 HB THR 88 - HG3 ARG 17 lone 3 81 - 3 - HB THR 88 - HG2 ARG 17 lone 2 80 - 3 - HA ARG 27 - HG3 ARG 70 lone 2 71 - 3 - HA GLU 25 - HG3 ARG 17 lone 2 47 - 4 - HA GLU 25 - HG2 ARG 17 lone 2 46 - 4 - HA GLN 91 - HG2 ARG 27 lone 1 87 - 1 - HA GLN 91 - HG3 ARG 27 lone 1 87 - 1 - HA GLU 25 - HG3 ARG 70 lone 1 39 - 3 - HA ALA 30 - HG3 ARG 70 lone 1 52 - 2 - HA ARG 23 - HG3 ARG 70 lone 1 65 - 1 - HA ALA 30 - HG3 ARG 17 lone 1 61 - 1 - HA ALA 30 - HG2 ARG 17 lone 1 60 - 1 - HA ASN 49 - HG3 ARG 27 lone 1 76 - 1 - HA ASN 49 - HG2 ARG 27 lone 1 76 - 1 - HB THR 88 - HG3 ARG 70 lone 1 70 - 1 - HA ASN 49 - HG2 ARG 26 lone 1 61 - 1 - HA GLN 91 - HG3 ARG 17 lone 0 65 - 1 - HA GLN 91 - HG2 ARG 17 lone 0 64 - 1 - HA ASN 49 - HG3 ARG 17 lone 0 55 - 1 - HA ASN 49 - HG2 ARG 17 lone 0 54 - 1 - HA ASN 49 - HG3 ARG 70 lone 0 46 - 1 - HA GLN 91 - HG3 ARG 70 lone 0 55 - 1 - Peak 1448 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 6 out of 84 assignments used, quality = 1.00: * HB2 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 17 + HG3 ARG 17 OK 59 73 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 17 + HG2 ARG 17 OK 58 71 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 26 - HG2 ARG 26 OK 39 52 - 76 - 3.0=70, 3.9/529=2...(9) HB3 ARG 26 - HG2 ARG 26 OK 38 49 - 76 - 3.0=70, 3.9/529=2...(9) HB2 ARG 71 - HG2 ARG 26 OK 25 88 - 28 - 2.8/2932=2, ~1391=2...(7) HB3 ARG 71 - HG2 ARG 26 OK 24 88 - 28 - 2.8/2932=2, ~1391=2...(7) HB2 ARG 71 - HG3 ARG 17 OK 17 82 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG3 ARG 17 OK 17 82 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 71 - HG2 ARG 17 OK 17 80 - 22 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG2 ARG 17 OK 17 80 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 66 - HG3 ARG 70 OK 16 46 - 35 - ~2867=3, ~2866=3...(13) HB2 ARG 27 - HG2 ARG 26 OK 15 88 - 17 - 3.0/1418=1, 4.1/537=1 HB3 ARG 27 - HG2 ARG 26 OK 15 88 - 17 - 3.0/1418=1, 4.1/537=1 HB2 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB2 ARG 26 - HG3 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB2 ARG 26 - HG2 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG3 ARG 27 poor 10 63 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG2 ARG 27 poor 10 63 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 23 - HG3 ARG 27 poor 10 100 - 10 - HB3 ARG 23 - HG2 ARG 27 poor 10 100 - 10 - HB2 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 17 - HG3 ARG 27 poor 10 95 - 10 - HB2 ARG 17 - HG2 ARG 27 poor 10 94 - 10 - HB2 ARG 71 - HG3 ARG 70 poor 9 71 - 13 - 777/5.0=2, 2.8/2932=1, ~5395=1 HB3 ARG 71 - HG3 ARG 70 poor 9 71 - 13 - 776/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 27 - HG3 ARG 17 poor 9 82 - 10 - HB3 ARG 27 - HG3 ARG 17 poor 9 82 - 10 - HB2 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HB3 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HB2 ARG 17 - HG2 ARG 26 poor 8 79 - 10 - 1157/1.8=1 HB2 ARG 66 - HG2 ARG 26 poor 7 61 - 11 - HB2 ARG 26 - HG3 ARG 17 poor 5 47 - 10 - 3.0/1394=1 HB2 ARG 26 - HG2 ARG 17 poor 5 46 - 11 - 3.0/1394=1 HB3 ARG 26 - HG3 ARG 17 poor 5 45 - 11 - 3.0/1394=1 HB3 ARG 26 - HG2 ARG 17 poor 5 44 - 11 - 3.0/1394=1 HB3 ARG 23 - HG3 ARG 17 lone 4 81 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 4 80 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 4 79 - 5 - HB2 ARG 23 - HG2 ARG 17 lone 4 79 - 5 - HB3 PRO 34 - HG2 ARG 26 lone 4 65 - 6 - HB2 ARG 66 - HG3 ARG 27 lone 3 76 - 4 - HB2 ARG 66 - HG2 ARG 27 lone 3 76 - 4 - HB3 ARG 23 - HG2 ARG 26 lone 3 87 - 3 - HB2 ARG 23 - HG2 ARG 26 lone 3 86 - 3 - HB2 ARG 26 - HG3 ARG 70 lone 2 39 - 6 - HB3 ARG 26 - HG3 ARG 70 lone 2 37 - 6 - HB3 PRO 34 - HG3 ARG 27 lone 2 81 - 3 - HB3 PRO 34 - HG2 ARG 27 lone 2 81 - 3 - HB ILE 89 - HG3 ARG 27 lone 2 60 - 4 - HB ILE 89 - HG2 ARG 27 lone 2 60 - 4 - HB2 LYS 75 - HG3 ARG 70 lone 2 66 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 2 82 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 2 80 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 2 71 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 71 - 2 - HB2 ARG 17 - HG3 ARG 70 lone 1 62 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HG3 ARG 27 lone 1 100 - 1 - HB2 ARG 66 - HG3 ARG 17 lone 1 55 - 2 - HB2 ARG 66 - HG2 ARG 17 lone 1 54 - 2 - HB ILE 89 - HG3 ARG 17 lone 1 42 - 3 - HB ILE 89 - HG2 ARG 17 lone 1 41 - 3 - HB2 LYS 75 - HG3 ARG 17 lone 1 77 - 1 - HB2 LYS 75 - HG2 ARG 17 lone 1 75 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 1 88 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 71 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 69 - 1 - HB ILE 89 - HG2 ARG 26 lone 1 47 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 0 59 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 83 - 0 - HB3 PRO 34 - HG2 ARG 17 lone 0 58 - 1 - HB3 PRO 34 - HG3 ARG 70 lone 0 50 - 1 - HB ILE 89 - HG3 ARG 70 lone 0 35 - 1 - Peak 1449 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.62 A): 6 out of 78 assignments used, quality = 1.00: HB2 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) * HB3 ARG 27 + HG3 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB3 ARG 27 + HG2 ARG 27 OK 83 100 - 83 - 2.9=74, 3.0/1419=4...(13) HB2 ARG 17 + HG3 ARG 17 OK 58 71 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 17 + HG2 ARG 17 OK 57 70 - 81 - 2.9=71, 1.8/1167=6...(13) HB2 ARG 26 - HG2 ARG 26 OK 41 54 - 76 - 3.0=70, 3.9/529=2...(9) HB3 ARG 26 - HG2 ARG 26 OK 39 52 - 76 - 3.0=70, 3.9/529=2...(9) HB2 ARG 71 - HG2 ARG 26 OK 24 88 - 28 - 2.8/2932=2, ~1391=2...(7) HB3 ARG 71 - HG2 ARG 26 OK 24 88 - 28 - 2.8/2932=2, ~1391=2...(7) HB2 ARG 71 - HG3 ARG 17 OK 17 82 - 21 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG3 ARG 17 OK 17 82 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 71 - HG2 ARG 17 OK 17 80 - 21 - 2.8/2932=2, 1164/2.9=1 HB3 ARG 71 - HG2 ARG 17 OK 17 80 - 21 - 2.8/2932=2, 1164/2.9=1 HB2 ARG 66 - HG3 ARG 70 OK 17 48 - 35 - ~2867=3, ~2866=3...(13) HB2 ARG 27 - HG2 ARG 26 OK 15 88 - 17 - 3.0/1418=1, 4.1/537=1 HB3 ARG 27 - HG2 ARG 26 OK 15 88 - 17 - 3.0/1418=1, 4.1/537=1 HB2 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HG3 ARG 27 OK 12 100 - 12 - HB2 ARG 26 - HG3 ARG 27 OK 11 68 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB2 ARG 26 - HG2 ARG 27 OK 11 68 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG3 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 26 - HG2 ARG 27 OK 10 65 - 16 - 4.6/538=2, 3.0/1394=1, 3.9/529=1 HB3 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB3 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG3 ARG 27 poor 10 99 - 10 - HB2 ARG 23 - HG2 ARG 27 poor 10 99 - 10 - HB2 ARG 17 - HG3 ARG 27 poor 10 93 - 10 - HB2 ARG 17 - HG2 ARG 27 poor 10 93 - 10 - HB3 ARG 71 - HG3 ARG 70 poor 9 71 - 13 - 776/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 71 - HG3 ARG 70 poor 9 71 - 13 - 777/5.0=2, 2.8/2932=1, ~5395=1 HB2 ARG 27 - HG3 ARG 17 poor 9 82 - 10 - HB3 ARG 27 - HG3 ARG 17 poor 9 82 - 10 - HB2 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HB3 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HB2 ARG 17 - HG2 ARG 26 poor 8 78 - 10 - 1157/1.8=1 HB2 ARG 66 - HG2 ARG 26 poor 7 63 - 12 - HB2 ARG 26 - HG3 ARG 17 poor 5 49 - 11 - 3.0/1394=1 HB2 ARG 26 - HG2 ARG 17 poor 5 48 - 11 - 3.0/1394=1 HB3 ARG 26 - HG3 ARG 17 poor 5 47 - 11 - 3.0/1394=1 HB3 ARG 26 - HG2 ARG 17 poor 5 46 - 11 - 3.0/1394=1 HB3 PRO 34 - HG2 ARG 26 lone 4 67 - 6 - HB3 ARG 23 - HG3 ARG 17 lone 4 80 - 5 - HB2 ARG 23 - HG3 ARG 17 lone 4 79 - 5 - HB3 ARG 23 - HG2 ARG 17 lone 4 79 - 5 - HB2 ARG 23 - HG2 ARG 17 lone 4 78 - 5 - HB2 ARG 66 - HG3 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HG2 ARG 27 lone 4 78 - 4 - HB3 ARG 23 - HG2 ARG 26 lone 3 86 - 3 - HB2 ARG 23 - HG2 ARG 26 lone 3 86 - 3 - HB2 ARG 26 - HG3 ARG 70 lone 2 41 - 6 - HB3 ARG 26 - HG3 ARG 70 lone 2 39 - 6 - HB3 PRO 34 - HG3 ARG 27 lone 2 83 - 3 - HB3 PRO 34 - HG2 ARG 27 lone 2 83 - 3 - HB2 LYS 75 - HG3 ARG 70 lone 2 65 - 3 - HB2 LYS 39 - HG3 ARG 17 lone 2 82 - 2 - HB2 LYS 39 - HG2 ARG 17 lone 2 80 - 2 - HB3 ARG 27 - HG3 ARG 70 lone 2 71 - 2 - HB2 ARG 27 - HG3 ARG 70 lone 2 71 - 2 - HB2 ARG 17 - HG3 ARG 70 lone 1 61 - 2 - HB2 ARG 66 - HG3 ARG 17 lone 1 57 - 2 - HB2 LYS 39 - HG2 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HG3 ARG 27 lone 1 100 - 1 - HB2 ARG 66 - HG2 ARG 17 lone 1 56 - 2 - HB2 LYS 75 - HG3 ARG 17 lone 1 75 - 1 - HB2 LYS 75 - HG2 ARG 17 lone 1 74 - 1 - HB2 LYS 75 - HG2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HG3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HG2 ARG 26 lone 1 88 - 1 - HB2 LYS 39 - HG3 ARG 70 lone 1 71 - 1 - HB3 ARG 23 - HG3 ARG 70 lone 1 69 - 1 - HB2 ARG 23 - HG3 ARG 70 lone 1 68 - 1 - HB3 PRO 34 - HG3 ARG 17 lone 0 61 - 1 - HB3 PRO 34 - HG2 ARG 17 lone 0 60 - 1 - HB2 LYS 75 - HG2 ARG 26 lone 0 82 - 0 - HB3 PRO 34 - HG3 ARG 70 lone 0 52 - 1 - Peak 1450 from cnoeabs.peaks (1.63, 1.63, 27.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 HG3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 HG2 ARG 26 + HG2 ARG 26 OK 83 83 - 100 HG3 ARG 17 + HG3 ARG 17 OK 74 74 - 100 HG2 ARG 17 + HG2 ARG 17 OK 71 71 - 100 HG3 ARG 70 + HG3 ARG 70 OK 53 53 - 100 Reference assignment not found: HG2 ARG 27 - HG3 ARG 27 Peak 1451 from cnoeabs.peaks (1.63, 1.63, 27.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 HG2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 HG2 ARG 26 + HG2 ARG 26 OK 82 82 - 100 HG3 ARG 17 + HG3 ARG 17 OK 73 73 - 100 HG2 ARG 17 + HG2 ARG 17 OK 70 70 - 100 HG3 ARG 70 + HG3 ARG 70 OK 52 52 - 100 Peak 1452 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.07 A): 10 out of 84 assignments used, quality = 1.00: HD3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 * HD2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 - 100 - 3.0=100 HD2 ARG 26 - HG3 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 26 - HG2 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG2 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 66 - HG3 ARG 70 OK 19 55 - 36 - ~2703=3, ~2867=2...(13) HD2 ARG 66 - HG3 ARG 70 OK 18 52 - 35 - ~2703=3, ~2867=2...(13) HD2 ARG 26 - HG3 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 14 80 - 17 - 3.0/1394=2 HD2 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD2 ARG 26 - HG2 ARG 17 OK 13 79 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 13 79 - 17 - 3.0/1394=2 HD3 ARG 66 - HG2 ARG 26 OK 12 71 - 17 - HD3 ARG 27 - HG2 ARG 26 OK 11 88 - 13 - HD2 ARG 27 - HG2 ARG 26 OK 11 88 - 13 - HD2 ARG 66 - HG2 ARG 26 OK 11 67 - 17 - HD2 ARG 71 - HG2 ARG 26 poor 10 47 - 22 - 3.0/2932=3, ~1394=2 HD3 ARG 17 - HG2 ARG 26 lone 8 84 - 10 - HD2 ARG 17 - HG2 ARG 26 lone 8 84 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG3 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HD2 ARG 71 - HG3 ARG 17 poor 8 42 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 poor 8 41 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD2 ARG 71 - HG2 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 23 - HG3 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 6 80 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 6 80 - 8 - HD3 ARG 66 - HG3 ARG 27 lone 6 87 - 7 - HD3 ARG 66 - HG2 ARG 27 lone 6 87 - 7 - HD2 ARG 66 - HG3 ARG 27 lone 6 83 - 7 - HD2 ARG 66 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 84 - HG3 ARG 17 lone 5 61 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 5 60 - 8 - HD2 ARG 71 - HG3 ARG 70 poor 4 35 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD2 ARG 84 - HG3 ARG 17 lone 4 57 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 4 56 - 8 - HD2 ARG 26 - HG3 ARG 70 lone 4 70 - 6 - HD3 ARG 26 - HG3 ARG 70 lone 4 69 - 5 - HD3 ARG 23 - HG2 ARG 26 lone 4 87 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 4 87 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 2 64 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 61 - 4 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 67 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 2 67 - 3 - HD2 ARG 17 - HG3 ARG 70 lone 2 67 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 63 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 2 52 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 1 71 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 1 71 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 48 - 3 - HD3 ARG 84 - HG2 ARG 27 lone 1 83 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 83 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 78 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 78 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 59 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 65 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 0 50 - 1 - Peak 1453 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.07 A): 10 out of 84 assignments used, quality = 1.00: * HD3 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 100 100 - 100 - 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 - 100 - 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 - 100 - 3.0=100 HD2 ARG 26 - HG3 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD2 ARG 26 - HG2 ARG 27 OK 20 100 - 21 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG3 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 26 - HG2 ARG 27 OK 20 99 - 20 - 3.0/1394=2, 5382/5.0=1 HD3 ARG 66 - HG3 ARG 70 OK 19 55 - 36 - ~2703=3, ~2867=2...(13) HD2 ARG 66 - HG3 ARG 70 OK 18 52 - 35 - ~2703=3, ~2867=2...(13) HD2 ARG 26 - HG3 ARG 17 OK 14 81 - 17 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 14 80 - 17 - 3.0/1394=2 HD2 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG3 ARG 27 OK 13 100 - 14 - HD3 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD2 ARG 23 - HG2 ARG 27 OK 13 100 - 14 - HD2 ARG 26 - HG2 ARG 17 OK 13 79 - 17 - 3.0/1394=2 HD3 ARG 26 - HG2 ARG 17 OK 13 79 - 17 - 3.0/1394=2 HD3 ARG 66 - HG2 ARG 26 OK 12 71 - 17 - HD3 ARG 27 - HG2 ARG 26 OK 11 88 - 13 - HD2 ARG 27 - HG2 ARG 26 OK 11 88 - 13 - HD2 ARG 66 - HG2 ARG 26 OK 11 67 - 17 - HD2 ARG 71 - HG2 ARG 26 poor 10 47 - 22 - 3.0/2932=3, ~1394=2 HD3 ARG 17 - HG2 ARG 26 lone 8 84 - 10 - HD2 ARG 17 - HG2 ARG 26 lone 8 84 - 10 - HD2 ARG 27 - HG3 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG3 ARG 17 poor 8 82 - 10 - HD3 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HD2 ARG 27 - HG2 ARG 17 poor 8 80 - 10 - HD2 ARG 71 - HG3 ARG 17 poor 8 42 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG2 ARG 17 poor 8 41 - 19 - 3.0/2932=2, ~2932=1 HD2 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG2 ARG 27 lone 7 98 - 8 - HD2 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD3 ARG 17 - HG3 ARG 27 lone 7 98 - 8 - HD2 ARG 71 - HG3 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD2 ARG 71 - HG2 ARG 27 poor 7 60 - 11 - 3.0/2932=1 HD3 ARG 23 - HG3 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG3 ARG 17 lone 6 81 - 8 - HD2 ARG 23 - HG2 ARG 17 lone 6 80 - 8 - HD3 ARG 23 - HG2 ARG 17 lone 6 80 - 8 - HD3 ARG 66 - HG3 ARG 27 lone 6 87 - 7 - HD3 ARG 66 - HG2 ARG 27 lone 6 87 - 7 - HD2 ARG 66 - HG3 ARG 27 lone 6 83 - 7 - HD2 ARG 66 - HG2 ARG 27 lone 6 83 - 7 - HD3 ARG 84 - HG3 ARG 17 lone 5 61 - 8 - HD3 ARG 84 - HG2 ARG 17 lone 5 60 - 8 - HD2 ARG 71 - HG3 ARG 70 poor 4 35 - 13 - 3.0/2932=2, 5.8/778=1, ~2869=1 HD2 ARG 84 - HG3 ARG 17 lone 4 57 - 8 - HD2 ARG 84 - HG2 ARG 17 lone 4 56 - 8 - HD2 ARG 26 - HG3 ARG 70 lone 4 70 - 6 - HD3 ARG 26 - HG3 ARG 70 lone 4 69 - 5 - HD3 ARG 23 - HG2 ARG 26 lone 4 87 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 4 87 - 4 - HD3 ARG 66 - HG3 ARG 17 lone 3 65 - 4 - HD3 ARG 66 - HG2 ARG 17 lone 2 64 - 4 - HD2 ARG 66 - HG3 ARG 17 lone 2 61 - 4 - HD2 ARG 66 - HG2 ARG 17 lone 2 60 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 67 - 3 - HD3 ARG 17 - HG3 ARG 70 lone 2 67 - 3 - HD2 ARG 17 - HG3 ARG 70 lone 2 67 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 63 - 3 - HD3 ARG 84 - HG3 ARG 70 lone 2 52 - 3 - HD2 ARG 27 - HG3 ARG 70 lone 1 71 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 1 71 - 2 - HD2 ARG 84 - HG3 ARG 70 lone 1 48 - 3 - HD3 ARG 84 - HG2 ARG 27 lone 1 83 - 2 - HD3 ARG 84 - HG3 ARG 27 lone 1 83 - 2 - HD2 ARG 84 - HG2 ARG 27 lone 1 78 - 2 - HD2 ARG 84 - HG3 ARG 27 lone 1 78 - 2 - HD2 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 70 - 1 - HD2 ARG 82 - HG2 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 27 lone 1 81 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 59 - 1 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 65 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 0 50 - 1 - Peak 1455 from cnoeabs.peaks (4.12, 3.17, 43.10 ppm; 4.48 A): 6 out of 98 assignments used, quality = 1.00: HA ARG 27 + HD3 ARG 27 OK 88 100 - 88 - 5.4=58, 1419/3.0=10...(44) * HA ARG 27 + HD2 ARG 27 OK 88 100 - 88 - 5.4=58, 1419/3.0=10...(44) HA ARG 23 + HD3 ARG 23 OK 84 96 - 87 - 5.2=63, 1285/2.9=23...(27) HA ARG 23 + HD2 ARG 23 OK 84 96 - 87 - 5.2=63, 1285/2.9=23...(27) HA ARG 27 + HD2 ARG 26 OK 59 100 - 60 - 5345/6.1=7, ~65=4...(23) HA ARG 27 + HD3 ARG 26 OK 59 99 - 60 - 5345/6.1=7, ~65=4...(23) HA ARG 27 - HD3 ARG 23 OK 41 100 - 42 - 1285/2.9=8, 1265/2.9=5...(13) HA ARG 27 - HD2 ARG 23 OK 41 100 - 42 - 1285/2.9=8, 1265/2.9=5...(13) HA ARG 23 - HD2 ARG 27 OK 22 97 - 23 - 3.6/5300=3, 3.8/1291=2...(10) HA ARG 23 - HD3 ARG 27 OK 22 97 - 23 - 3.6/5300=3, 3.8/1291=2...(10) HA ARG 27 - HD2 ARG 17 OK 22 98 - 22 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD3 ARG 17 OK 22 98 - 22 - 1418/3.0=2, 1418/3.0=2...(9) HA GLU 25 - HD2 ARG 26 OK 15 64 - 24 - ~5926=5, 3.6/532=5...(7) HA GLU 25 - HD3 ARG 26 OK 15 64 - 24 - ~5926=5, 3.6/532=5...(7) HA ARG 27 - HD2 ARG 71 OK 15 60 - 25 - ~65=3, 1418/3.0=2...(11) HA ARG 23 - HD2 ARG 26 OK 12 96 - 13 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD3 ARG 26 OK 12 95 - 13 - 5341/6.1=2, 3.6/5300=1 HA ALA 30 - HD2 ARG 26 OK 11 81 - 14 - ~4194=3, ~5537=2...(6) HA ALA 30 - HD3 ARG 26 OK 11 81 - 14 - ~4194=3, ~5537=2...(6) HA ARG 23 - HD3 ARG 17 lone 9 93 - 9 - HA ARG 23 - HD2 ARG 17 lone 9 93 - 9 - HA GLU 25 - HD3 ARG 27 poor 8 65 - 13 - 3.6/532=3, 534/6.3=2...(5) HA GLU 25 - HD2 ARG 27 poor 8 65 - 13 - 3.6/532=3, 534/6.3=2...(5) HA GLN 91 - HD2 ARG 26 lone 7 86 - 8 - 3661/3.5=2, 3661/3.5=2 HA GLN 91 - HD3 ARG 26 lone 7 85 - 8 - 3661/3.5=2, 3661/3.5=2 HA ALA 30 - HD2 ARG 23 lone 7 82 - 8 - 1285/2.9=2, 508/6.0=1 HA ALA 30 - HD3 ARG 23 lone 7 82 - 8 - 1285/2.9=2, 508/6.0=1 HA ARG 27 - HD3 ARG 66 poor 6 48 - 13 - HA ARG 27 - HD2 ARG 66 poor 6 45 - 13 - HA ALA 30 - HD3 ARG 27 lone 6 83 - 7 - 534/6.3=2, 5344/3.5=1 HA ALA 30 - HD2 ARG 27 lone 6 83 - 7 - 534/6.3=2, 5344/3.5=1 HB THR 88 - HD2 ARG 27 lone 6 100 - 6 - 534/6.3=1 HB THR 88 - HD3 ARG 27 lone 6 100 - 6 - 534/6.3=1 HA ARG 23 - HD3 ARG 66 poor 5 43 - 12 - HB THR 88 - HD2 ARG 26 lone 5 99 - 5 - 3589/6.1=2 HB THR 88 - HD3 ARG 26 lone 5 99 - 5 - 3589/6.1=2 HA ARG 23 - HD2 ARG 66 poor 5 40 - 12 - HA ARG 23 - HD2 ARG 82 lone 5 70 - 7 - 1265/3.0=1, 1264/3.6=1 HA ARG 23 - HD2 ARG 71 lone 5 54 - 8 - HA ARG 27 - HD3 ARG 84 lone 4 83 - 4 - HB THR 88 - HD2 ARG 23 lone 4 100 - 3 - HB THR 88 - HD3 ARG 23 lone 4 100 - 3 - HB THR 88 - HD3 ARG 17 lone 4 98 - 4 - HB THR 88 - HD2 ARG 17 lone 4 98 - 4 - HA ARG 27 - HD2 ARG 84 lone 4 78 - 4 - HA ALA 30 - HD3 ARG 66 lone 3 34 - 8 - ~4194=2, 4842/3.0=1, ~5537=1 HA ARG 23 - HD3 ARG 84 lone 3 76 - 3 - HA ASN 49 - HD2 ARG 23 lone 2 75 - 3 - HA ASN 49 - HD3 ARG 23 lone 2 75 - 3 - HA ALA 30 - HD2 ARG 66 lone 3 31 - 8 - ~4194=2, 4842/3.0=1, ~5537=1 HA GLN 91 - HD3 ARG 23 lone 2 86 - 3 - HA GLN 91 - HD2 ARG 23 lone 2 86 - 3 - HA GLU 25 - HD2 ARG 17 lone 2 61 - 4 - HA GLU 25 - HD3 ARG 17 lone 2 61 - 4 - HA ARG 23 - HD2 ARG 84 lone 2 72 - 3 - HA ALA 30 - HD2 ARG 71 lone 2 43 - 5 - ~4843=2 HA ARG 27 - HD2 ARG 82 lone 2 76 - 3 - HA GLN 91 - HD3 ARG 27 lone 2 87 - 2 - HA GLN 91 - HD2 ARG 27 lone 2 87 - 2 - HA GLU 25 - HD3 ARG 23 lone 2 65 - 3 - HA GLU 25 - HD2 ARG 23 lone 2 65 - 3 - HA ALA 30 - HD3 ARG 84 lone 2 62 - 3 - HA GLU 25 - HD2 ARG 71 lone 2 32 - 5 - HA ALA 30 - HD2 ARG 84 lone 2 58 - 3 - HB THR 88 - HD3 ARG 84 lone 1 82 - 2 - HA ASN 49 - HD3 ARG 84 lone 1 56 - 2 - ~177=1 HA ALA 30 - HD3 ARG 17 lone 1 78 - 2 - HA ALA 30 - HD2 ARG 17 lone 1 78 - 2 - HA ASN 49 - HD2 ARG 27 lone 1 76 - 2 - HA ASN 49 - HD3 ARG 27 lone 1 76 - 2 - HA ASN 49 - HD2 ARG 26 lone 1 75 - 2 - HB THR 88 - HD2 ARG 84 lone 1 77 - 2 - HA ASN 49 - HD3 ARG 26 lone 1 74 - 2 - HA GLU 25 - HD3 ARG 66 lone 1 25 - 5 - 3.6/532=2 HA GLU 25 - HD3 ARG 84 lone 1 47 - 2 - HA GLN 91 - HD2 ARG 17 lone 1 83 - 1 - HA GLN 91 - HD3 ARG 17 lone 1 83 - 1 - HA ALA 30 - HD2 ARG 82 lone 1 56 - 2 - HA ASN 49 - HD2 ARG 84 lone 1 52 - 2 - HA GLU 25 - HD2 ARG 66 lone 1 23 - 5 - 3.6/532=2 HA GLU 25 - HD2 ARG 84 lone 1 44 - 2 - HB THR 88 - HD2 ARG 82 lone 1 76 - 1 - HB THR 88 - HD2 ARG 71 lone 1 59 - 2 - HA GLN 91 - HD3 ARG 66 lone 1 36 - 3 - HA GLN 91 - HD2 ARG 82 lone 1 60 - 2 - HA GLN 91 - HD2 ARG 66 lone 1 34 - 3 - HA ASN 49 - HD2 ARG 17 lone 1 72 - 1 - HA ASN 49 - HD3 ARG 17 lone 1 72 - 1 - HA GLN 91 - HD3 ARG 84 lone 1 66 - 1 - HA GLN 91 - HD2 ARG 84 lone 1 62 - 1 - HA ASN 49 - HD2 ARG 82 lone 1 51 - 1 - HB THR 88 - HD3 ARG 66 lone 1 47 - 1 - HB THR 88 - HD2 ARG 66 lone 1 44 - 1 - HA GLN 91 - HD2 ARG 71 lone 1 46 - 1 - HA GLU 25 - HD2 ARG 82 lone 1 43 - 1 - HA ASN 49 - HD2 ARG 71 lone 0 38 - 1 - HA ASN 49 - HD3 ARG 66 lone 0 30 - 1 - HA ASN 49 - HD2 ARG 66 lone 0 28 - 1 - Peak 1456 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.84 A): 10 out of 196 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB3 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) * HB2 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 17 + HD2 ARG 17 OK 62 91 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 17 + HD3 ARG 17 OK 62 91 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 26 - HD2 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 26 - HD3 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD2 ARG 26 OK 42 62 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD3 ARG 26 OK 41 61 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB3 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB2 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 66 - HD3 ARG 66 OK 20 30 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - 1164/3.6=1, ~2934=1, 2.8/2934=1 HB2 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - 1164/3.6=1, ~2934=1, 2.8/2934=1 HB3 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 66 - HD2 ARG 66 OK 18 28 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 66 - HD2 ARG 26 OK 14 75 - 19 - 2.8/2713=1 HB2 ARG 17 - HD2 ARG 26 OK 14 93 - 15 - HB2 ARG 17 - HD3 ARG 26 OK 14 93 - 15 - HB2 ARG 66 - HD3 ARG 26 OK 13 74 - 18 - 2.8/2713=1 HB2 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB2 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB2 ARG 17 - HD2 ARG 27 OK 11 95 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 11 95 - 12 - HB2 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB2 ARG 26 - HD3 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 26 - HD2 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB2 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB2 ARG 71 - HD2 ARG 66 poor 10 45 - 21 - ~5167=1 HB3 ARG 71 - HD2 ARG 66 poor 10 45 - 21 - ~5167=1 HB3 ARG 26 - HD3 ARG 27 poor 9 63 - 15 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 9 63 - 15 - 4.6/5382=1 HB2 ARG 17 - HD2 ARG 23 lone 8 94 - 8 - HB2 ARG 17 - HD3 ARG 23 lone 8 94 - 8 - HB2 ARG 26 - HD2 ARG 71 poor 7 32 - 23 - 2931/3.0=1, ~2929=1 HB3 ARG 26 - HD2 ARG 71 poor 7 31 - 23 - 2931/3.0=1, ~2929=1 HB2 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB3 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB2 ARG 17 - HD3 ARG 84 lone 7 74 - 9 - HB3 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB3 ARG 23 - HD3 ARG 26 lone 6 99 - 6 - HB2 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB2 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 17 - HD2 ARG 71 poor 6 52 - 13 - 2930/3.0=2 HB2 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB3 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 17 - HD2 ARG 84 lone 6 69 - 9 - HB3 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB3 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 26 - HD3 ARG 66 poor 6 25 - 25 - 2686/3.0=1, 3.0/1396=1...(4) HB2 ARG 26 - HD3 ARG 17 lone 6 61 - 10 - HB2 ARG 26 - HD2 ARG 17 lone 6 61 - 10 - HB3 ARG 26 - HD3 ARG 17 lone 6 59 - 10 - HB3 ARG 26 - HD2 ARG 17 lone 6 59 - 10 - HB3 ARG 26 - HD3 ARG 66 poor 6 24 - 25 - 2686/3.0=1, ~2708=1...(4) HB2 ARG 26 - HD2 ARG 66 poor 6 23 - 25 - 2686/3.0=1, ~2708=1...(4) HB2 LYS 39 - HD3 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 100 - 6 - HB2 ARG 27 - HD2 ARG 71 lone 6 60 - 9 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2930/3.0=1 HB3 PRO 34 - HD2 ARG 26 lone 5 79 - 7 - HB3 ARG 26 - HD2 ARG 66 poor 5 22 - 25 - 2686/3.0=1, ~2708=1...(4) HB3 PRO 34 - HD3 ARG 26 lone 5 79 - 7 - HB2 ARG 66 - HD3 ARG 23 lone 4 75 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 4 75 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 4 76 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 4 76 - 5 - HB2 ARG 66 - HD2 ARG 71 poor 4 38 - 10 - HB2 ARG 26 - HD3 ARG 23 lone 3 65 - 5 - HB2 ARG 26 - HD2 ARG 23 lone 3 65 - 5 - HB3 ARG 23 - HD3 ARG 66 lone 3 47 - 7 - HB2 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 26 - HD2 ARG 23 lone 3 62 - 5 - HB3 ARG 26 - HD3 ARG 23 lone 3 62 - 5 - HB3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 44 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 LYS 39 - HD3 ARG 84 lone 3 83 - 3 - HB3 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 78 - 3 - HB2 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB3 ARG 23 - HD2 ARG 71 lone 2 59 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB3 PRO 34 - HD2 ARG 71 lone 2 42 - 6 - HB2 LYS 75 - HD3 ARG 23 lone 2 97 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 97 - 2 - HB2 ARG 66 - HD2 ARG 17 lone 2 72 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 72 - 3 - HB2 ARG 26 - HD3 ARG 84 lone 2 47 - 3 - HB3 ARG 26 - HD3 ARG 84 lone 2 45 - 3 - HB2 ARG 26 - HD2 ARG 84 lone 2 44 - 3 - HB3 ARG 26 - HD2 ARG 84 lone 2 42 - 3 - HB2 LYS 39 - HD2 ARG 17 lone 1 98 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 1 98 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 1 77 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB ILE 89 - HD3 ARG 84 lone 1 43 - 3 - HB2 LYS 39 - HD2 ARG 82 lone 1 76 - 2 - HB ILE 89 - HD2 ARG 27 lone 1 60 - 2 - HB ILE 89 - HD3 ARG 27 lone 1 60 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 77 - 1 - HB ILE 89 - HD2 ARG 84 lone 1 40 - 3 - HB2 LYS 75 - HD2 ARG 84 lone 1 73 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 41 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 55 - 2 - HB3 PRO 34 - HD2 ARG 27 lone 1 81 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 81 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 39 - 2 - HB2 LYS 39 - HD2 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 99 - 1 - HB2 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 100 - 1 - HB ILE 89 - HD3 ARG 17 lone 1 56 - 1 - HB ILE 89 - HD2 ARG 17 lone 1 56 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 80 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 80 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 94 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 94 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 59 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 58 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 60 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 59 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 59 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 60 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 55 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 56 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 1 48 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 76 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 76 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 45 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 96 - 0 - HB2 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HB3 PRO 34 - HD3 ARG 66 lone 1 33 - 2 - HB2 LYS 75 - HD2 ARG 82 lone 0 71 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 30 - 2 - HB2 ARG 66 - HD3 ARG 84 lone 0 56 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 52 - 1 - HB ILE 89 - HD2 ARG 82 lone 0 39 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 51 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 44 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 43 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 41 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 41 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 29 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 23 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 21 - 0 - Peak 1457 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.84 A): 11 out of 182 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB3 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD2 ARG 23 OK 70 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD3 ARG 23 OK 70 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) * HB3 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 61 89 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 17 + HD2 ARG 17 OK 61 89 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 26 + HD2 ARG 26 OK 45 67 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 26 - HD3 ARG 26 OK 45 66 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD2 ARG 26 OK 44 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD3 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB2 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 66 - HD3 ARG 66 OK 21 31 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 66 - HD2 ARG 66 OK 19 29 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 66 - HD2 ARG 26 OK 15 77 - 19 - 2.8/2713=1 HB2 ARG 66 - HD3 ARG 26 OK 14 76 - 18 - 2.8/2713=1 HB2 ARG 17 - HD2 ARG 26 OK 14 92 - 15 - HB2 ARG 17 - HD3 ARG 26 OK 14 92 - 15 - HB2 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1290=1 HB2 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1290=1 HB2 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB2 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB2 ARG 17 - HD3 ARG 27 OK 11 93 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 11 93 - 12 - HB2 ARG 26 - HD3 ARG 27 OK 10 68 - 15 - 4.6/5382=1 HB2 ARG 26 - HD2 ARG 27 OK 10 68 - 15 - 4.6/5382=1 HB3 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB2 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB3 ARG 26 - HD3 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB2 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 71 - HD2 ARG 66 poor 10 45 - 22 - ~5167=1 HB2 ARG 71 - HD2 ARG 66 poor 10 45 - 22 - ~5167=1 HB2 ARG 17 - HD3 ARG 23 lone 8 93 - 8 - HB2 ARG 17 - HD2 ARG 23 lone 8 93 - 8 - HB2 ARG 26 - HD2 ARG 71 poor 8 34 - 23 - 2931/3.0=1, ~2929=1 HB3 ARG 26 - HD2 ARG 71 poor 7 32 - 23 - 2931/3.0=1, ~2929=1 HB2 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB3 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB2 ARG 17 - HD3 ARG 84 lone 7 72 - 9 - HB2 ARG 26 - HD3 ARG 66 poor 7 26 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB3 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB2 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 23 - HD2 ARG 26 lone 6 98 - 6 - HB3 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB2 ARG 26 - HD2 ARG 17 lone 6 64 - 10 - HB2 ARG 26 - HD3 ARG 17 lone 6 64 - 10 - HB2 ARG 17 - HD2 ARG 71 poor 6 51 - 13 - 2930/3.0=2 HB3 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB3 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD3 ARG 17 lone 6 96 - 6 - HB2 ARG 23 - HD2 ARG 17 lone 6 96 - 6 - HB2 ARG 17 - HD2 ARG 84 lone 6 68 - 9 - HB3 ARG 26 - HD3 ARG 66 poor 6 25 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 26 - HD2 ARG 17 lone 6 61 - 10 - HB3 ARG 26 - HD3 ARG 17 lone 6 61 - 10 - HB2 ARG 26 - HD2 ARG 66 poor 6 24 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 26 - HD2 ARG 66 poor 6 23 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 PRO 34 - HD2 ARG 26 lone 6 81 - 7 - HB2 LYS 39 - HD2 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HD3 ARG 23 lone 6 100 - 6 - HB3 PRO 34 - HD3 ARG 26 lone 6 81 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 6 60 - 9 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2930/3.0=1 HB2 ARG 66 - HD3 ARG 23 lone 5 77 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 5 77 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HD2 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HD2 ARG 71 poor 4 40 - 10 - HB2 ARG 26 - HD3 ARG 23 lone 4 67 - 5 - HB2 ARG 26 - HD2 ARG 23 lone 4 67 - 5 - HB3 ARG 26 - HD3 ARG 23 lone 3 65 - 5 - HB3 ARG 26 - HD2 ARG 23 lone 3 65 - 5 - HB3 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 LYS 39 - HD3 ARG 84 lone 3 83 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 78 - 3 - HB3 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB2 ARG 23 - HD2 ARG 82 lone 3 74 - 3 - HB3 PRO 34 - HD2 ARG 71 lone 2 43 - 6 - HB3 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB2 LYS 75 - HD2 ARG 23 lone 2 96 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 96 - 2 - HB2 ARG 66 - HD3 ARG 17 lone 2 74 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 74 - 3 - HB2 ARG 26 - HD3 ARG 84 lone 2 50 - 3 - HB3 ARG 26 - HD3 ARG 84 lone 2 47 - 3 - HB2 ARG 26 - HD2 ARG 84 lone 2 46 - 3 - HB3 ARG 26 - HD2 ARG 84 lone 2 44 - 3 - HB2 LYS 39 - HD3 ARG 17 lone 1 98 - 1 - HB2 LYS 39 - HD2 ARG 17 lone 1 98 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 1 80 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 76 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 76 - 1 - HB2 LYS 75 - HD2 ARG 84 lone 1 72 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 40 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 83 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 83 - 1 - HB2 LYS 75 - HD2 ARG 71 lone 1 54 - 2 - HB2 LYS 39 - HD2 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 99 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 38 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 100 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 82 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 82 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 93 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 93 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 60 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 62 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 56 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 58 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 66 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 78 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 78 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 1 48 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 45 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 1 34 - 2 - HB2 LYS 75 - HD2 ARG 26 lone 0 96 - 0 - HB2 LYS 75 - HD3 ARG 26 lone 0 95 - 0 - HB3 PRO 34 - HD2 ARG 66 lone 1 31 - 2 - HB2 LYS 75 - HD2 ARG 82 lone 0 70 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 58 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 54 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 53 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 45 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 43 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 43 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 40 - 1 - Peak 1458 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.87 A): 11 out of 182 assignments used, quality = 1.00: * HG2 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 26 + HD2 ARG 26 OK 90 96 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD3 ARG 26 OK 89 96 - 93 - 3.0=92, 4.9/532=1...(5) HG3 ARG 17 + HD3 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 48 53 - 90 - 3.0=88, 1159/3.5=2...(5) HG2 ARG 71 - HD2 ARG 26 OK 26 95 - 28 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 26 94 - 28 - 1394/3.0=3, ~2935=2...(6) HG3 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 17 OK 15 92 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG2 ARG 71 - HD3 ARG 17 OK 15 92 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 14 95 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 94 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 26 - HD2 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG3 ARG 70 - HD3 ARG 66 OK 11 35 - 33 - ~2871=2, ~2870=2...(10) HG3 ARG 70 - HD2 ARG 66 OK 11 33 - 33 - ~2871=2, ~2870=2...(10) HG2 ARG 71 - HD2 ARG 27 OK 10 96 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 96 - 11 - HG2 ARG 26 - HD2 ARG 71 poor 9 55 - 17 - 2932/3.0=2, ~1394=1 HG2 ARG 26 - HD3 ARG 17 lone 8 94 - 9 - HG2 ARG 26 - HD2 ARG 17 lone 8 94 - 9 - HG3 ARG 17 - HD2 ARG 71 poor 8 53 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 17 - HD2 ARG 71 poor 8 52 - 16 - 2932/3.0=2, 2878/1.8=1 HG3 ARG 17 - HD2 ARG 27 lone 8 96 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 96 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 95 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 95 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 95 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 95 - 8 - HG2 ARG 26 - HD3 ARG 66 poor 7 44 - 16 - 1.8/1396=1 HG2 ARG 26 - HD2 ARG 66 poor 7 41 - 16 - 1.8/1396=1, ~1396=1, ~1397=1 HG2 ARG 27 - HD3 ARG 17 lone 6 98 - 7 - HG2 ARG 27 - HD2 ARG 17 lone 6 98 - 7 - HG3 ARG 27 - HD2 ARG 17 lone 6 98 - 7 - HG3 ARG 27 - HD3 ARG 17 lone 6 98 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 6 95 - 7 - HG3 ARG 17 - HD2 ARG 23 lone 6 95 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 6 94 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 6 94 - 7 - HG2 ARG 71 - HD3 ARG 66 poor 6 42 - 15 - ~2935=1, 2927/1.8=1 HG2 ARG 71 - HD2 ARG 66 poor 6 40 - 15 - ~2935=1, 2927/1.8=1, 1.8/2935=1 HG2 ARG 71 - HD3 ARG 84 lone 5 75 - 7 - HG2 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG2 ARG 71 - HD2 ARG 84 lone 5 71 - 7 - HG3 ARG 70 - HD2 ARG 71 poor 5 45 - 11 - 2932/3.0=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD3 ARG 84 lone 5 75 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 74 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 69 - 6 - HB2 LEU 86 - HD3 ARG 17 lone 4 84 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 4 84 - 5 - HG3 ARG 70 - HD2 ARG 26 lone 4 84 - 5 - HD3 LYS 32 - HD2 ARG 71 lone 4 45 - 9 - HG2 ARG 26 - HD3 ARG 23 lone 4 97 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 97 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 4 83 - 4 - HD2 LYS 32 - HD2 ARG 71 lone 4 42 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HG2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB2 LEU 86 - HD2 ARG 26 lone 3 87 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 87 - 3 - HG3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HD3 LYS 32 - HD2 ARG 26 lone 3 84 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 83 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 79 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 79 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 77 - 3 - HD2 LYS 73 - HD2 ARG 71 lone 2 42 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 2 42 - 5 - HG2 ARG 26 - HD2 ARG 84 lone 2 73 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 2 64 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 68 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 2 60 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 2 60 - 3 - HG3 ARG 70 - HD3 ARG 17 lone 2 81 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 81 - 2 - HB2 LEU 86 - HD2 ARG 84 lone 2 63 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 81 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 81 - 2 - HD2 LYS 73 - HD3 ARG 84 lone 2 60 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 60 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 56 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 76 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 76 - 2 - HD3 LYS 73 - HD2 ARG 84 lone 2 56 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 56 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 42 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 2 41 - 4 - HB2 LEU 86 - HD3 ARG 27 lone 1 89 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 1 89 - 2 - HG3 ARG 17 - HD2 ARG 66 lone 1 40 - 4 - HD3 LYS 73 - HD2 ARG 26 lone 1 79 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 1 79 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 85 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 1 85 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 79 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 1 79 - 2 - HG2 ARG 17 - HD2 ARG 66 lone 1 39 - 4 - HB2 LEU 86 - HD2 ARG 23 lone 1 88 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 88 - 1 - HG3 ARG 70 - HD3 ARG 84 lone 1 64 - 2 - HD3 LYS 32 - HD3 ARG 27 lone 1 85 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 85 - 1 - HG3 ARG 70 - HD2 ARG 84 lone 1 60 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 1 76 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 76 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 1 76 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 1 76 - 2 - HD2 LYS 32 - HD3 ARG 27 lone 1 81 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 81 - 1 - HG2 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HB2 LEU 86 - HD2 ARG 71 lone 1 47 - 2 - HG2 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HB3 GLN 61 - HD2 ARG 23 lone 1 62 - 1 - HB3 GLN 61 - HD3 ARG 23 lone 1 62 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 69 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 80 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 80 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 80 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 80 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 37 - 2 - HD3 LYS 32 - HD3 ARG 23 lone 1 84 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 84 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 84 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 84 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 81 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 81 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 81 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 81 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 69 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 35 - 2 - HD2 LYS 32 - HD2 ARG 23 lone 1 80 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 80 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 35 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 33 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 33 - 2 - HG2 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 1 30 - 2 - HD3 LYS 32 - HD2 ARG 82 lone 0 58 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 71 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 0 63 - 1 - HB3 GLN 61 - HD3 ARG 27 lone 0 63 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 0 24 - 2 - HD3 LYS 73 - HD2 ARG 82 lone 0 55 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 55 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 55 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 0 22 - 2 - HG3 ARG 70 - HD2 ARG 82 lone 0 58 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 33 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 0 33 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 62 - 0 - HD2 LYS 73 - HD2 ARG 66 lone 0 30 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 30 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 62 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 61 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 59 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 59 - 0 - HB3 GLN 61 - HD3 ARG 84 lone 0 45 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 42 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 41 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 31 - 0 - Peak 1459 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.87 A): 11 out of 182 assignments used, quality = 1.00: HG3 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) * HG3 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 26 + HD2 ARG 26 OK 89 96 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD3 ARG 26 OK 88 95 - 93 - 3.0=92, 4.9/532=1...(5) HG3 ARG 17 + HD3 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 82 89 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 82 89 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 47 52 - 90 - 3.0=88, 1159/3.5=2...(5) HG2 ARG 71 - HD2 ARG 26 OK 26 93 - 28 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 25 93 - 28 - 1394/3.0=3, ~2935=2...(6) HG3 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 17 OK 15 91 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG2 ARG 71 - HD3 ARG 17 OK 15 91 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG2 ARG 26 - HD3 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG2 ARG 26 - HD2 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG3 ARG 70 - HD3 ARG 66 OK 11 34 - 33 - ~2871=2, ~2870=2...(10) HG3 ARG 70 - HD2 ARG 66 OK 10 31 - 33 - ~2871=2, ~2870=2...(10) HG2 ARG 71 - HD3 ARG 27 poor 10 95 - 11 - HG2 ARG 71 - HD2 ARG 27 poor 10 95 - 11 - HG2 ARG 26 - HD2 ARG 71 poor 9 54 - 17 - 2932/3.0=2, ~1394=1 HG2 ARG 26 - HD2 ARG 17 lone 8 93 - 9 - HG2 ARG 26 - HD3 ARG 17 lone 8 93 - 9 - HG3 ARG 17 - HD2 ARG 71 poor 8 52 - 16 - 2932/3.0=2 HG3 ARG 17 - HD2 ARG 27 lone 8 95 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 95 - 8 - HG2 ARG 17 - HD2 ARG 71 poor 8 51 - 16 - 2932/3.0=2 HG2 ARG 17 - HD3 ARG 27 lone 8 93 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 93 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 94 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 94 - 8 - HG2 ARG 26 - HD3 ARG 66 poor 7 43 - 16 - 1.8/1396=1 HG2 ARG 27 - HD3 ARG 17 lone 6 98 - 6 - HG2 ARG 27 - HD2 ARG 17 lone 6 98 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 98 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 98 - 6 - HG2 ARG 26 - HD2 ARG 66 poor 6 40 - 16 - 1.8/1396=1, ~1396=1, ~1397=1 HG3 ARG 17 - HD2 ARG 23 lone 6 94 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 6 94 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 6 93 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 6 93 - 7 - HG2 ARG 71 - HD3 ARG 66 poor 6 41 - 15 - ~2935=1, 2927/1.8=1 HG2 ARG 71 - HD2 ARG 66 poor 6 39 - 15 - ~2935=1, 2927/1.8=1, 1.8/2935=1 HG2 ARG 71 - HD3 ARG 84 lone 5 74 - 7 - HG3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - HG2 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG2 ARG 71 - HD2 ARG 84 lone 5 69 - 7 - HG3 ARG 70 - HD2 ARG 71 poor 5 43 - 11 - 2932/3.0=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD3 ARG 84 lone 4 74 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 72 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 69 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HB2 LEU 86 - HD3 ARG 17 lone 4 83 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 4 83 - 5 - HG3 ARG 70 - HD2 ARG 26 lone 4 81 - 5 - HG2 ARG 26 - HD2 ARG 23 lone 4 96 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 96 - 4 - HD3 LYS 32 - HD2 ARG 71 lone 4 43 - 9 - HG3 ARG 70 - HD3 ARG 26 lone 4 81 - 4 - HD2 LYS 32 - HD2 ARG 71 lone 3 40 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HG2 ARG 27 - HD3 ARG 66 lone 3 48 - 6 - HB2 LEU 86 - HD2 ARG 26 lone 3 86 - 3 - HG3 ARG 27 - HD2 ARG 66 lone 3 45 - 6 - HG2 ARG 27 - HD2 ARG 66 lone 3 45 - 6 - HB2 LEU 86 - HD3 ARG 26 lone 3 85 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 81 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 81 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 77 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 76 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 76 - 3 - HD2 LYS 73 - HD2 ARG 71 lone 2 40 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 2 40 - 5 - HG2 ARG 26 - HD2 ARG 84 lone 2 72 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 2 62 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 66 - 3 - HG3 ARG 70 - HD3 ARG 17 lone 2 78 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 84 lone 2 58 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 2 58 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 62 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 78 - 2 - HD2 LYS 73 - HD3 ARG 84 lone 2 58 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 58 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 54 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 74 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 74 - 2 - HD3 LYS 73 - HD2 ARG 84 lone 2 54 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 54 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 41 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 1 40 - 4 - HB2 LEU 86 - HD3 ARG 27 lone 1 87 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 1 87 - 2 - HG3 ARG 17 - HD2 ARG 66 lone 1 39 - 4 - HG3 ARG 70 - HD2 ARG 27 lone 1 83 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 83 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 1 77 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 1 77 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 76 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 1 76 - 2 - HG2 ARG 17 - HD2 ARG 66 lone 1 38 - 4 - HB2 LEU 86 - HD2 ARG 23 lone 1 86 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 86 - 1 - HG3 ARG 70 - HD3 ARG 84 lone 1 62 - 2 - HD3 LYS 32 - HD3 ARG 27 lone 1 83 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 83 - 1 - HG3 ARG 70 - HD2 ARG 84 lone 1 58 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 74 - 1 - HD3 LYS 73 - HD3 ARG 17 lone 1 74 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 74 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 74 - 1 - HG2 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 78 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 78 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HB2 LEU 86 - HD2 ARG 71 lone 1 46 - 2 - HB3 GLN 61 - HD2 ARG 23 lone 1 65 - 1 - HB3 GLN 61 - HD3 ARG 23 lone 1 65 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 68 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 77 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 77 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 77 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 77 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 82 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 82 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 36 - 2 - HG3 ARG 70 - HD3 ARG 23 lone 1 82 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 82 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 78 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 78 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 78 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 78 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 34 - 2 - HG2 ARG 17 - HD2 ARG 82 lone 1 66 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 77 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 77 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 34 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 31 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 31 - 2 - HG2 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 1 25 - 2 - HB3 GLN 61 - HD3 ARG 27 lone 0 65 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 0 65 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 0 56 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HG2 ARG 26 - HD2 ARG 82 lone 0 70 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 0 23 - 2 - HD3 LYS 73 - HD2 ARG 82 lone 0 53 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 53 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 53 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 0 56 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 60 - 0 - HD2 LYS 73 - HD2 ARG 66 lone 0 29 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 29 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 64 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 64 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 61 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 61 - 0 - HB3 GLN 61 - HD3 ARG 84 lone 0 47 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 44 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 43 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 32 - 0 - Peak 1460 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: * HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 - HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 - HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 - HD2 ARG 71 OK 29 29 - 100 Peak 1461 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 - HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 - HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 - HD2 ARG 71 OK 29 29 - 100 Reference assignment not found: HD3 ARG 27 - HD2 ARG 27 Peak 1463 from cnoeabs.peaks (4.12, 3.17, 43.10 ppm; 4.48 A): 6 out of 98 assignments used, quality = 1.00: * HA ARG 27 + HD3 ARG 27 OK 88 100 - 88 - 5.4=58, 1419/3.0=10...(44) HA ARG 27 + HD2 ARG 27 OK 88 100 - 88 - 5.4=58, 1419/3.0=10...(44) HA ARG 23 + HD3 ARG 23 OK 84 96 - 87 - 5.2=63, 1285/2.9=23...(27) HA ARG 23 + HD2 ARG 23 OK 84 96 - 87 - 5.2=63, 1285/2.9=23...(27) HA ARG 27 + HD2 ARG 26 OK 59 100 - 60 - 5345/6.1=7, ~65=4...(23) HA ARG 27 + HD3 ARG 26 OK 59 99 - 60 - 5345/6.1=7, ~65=4...(23) HA ARG 27 - HD3 ARG 23 OK 41 100 - 42 - 1285/2.9=8, 1265/2.9=5...(13) HA ARG 27 - HD2 ARG 23 OK 41 100 - 42 - 1285/2.9=8, 1265/2.9=5...(13) HA ARG 23 - HD2 ARG 27 OK 22 97 - 23 - 3.6/5300=3, 3.8/1291=2...(10) HA ARG 23 - HD3 ARG 27 OK 22 97 - 23 - 3.6/5300=3, 3.8/1291=2...(10) HA ARG 27 - HD2 ARG 17 OK 22 98 - 22 - 1418/3.0=2, 1418/3.0=2...(9) HA ARG 27 - HD3 ARG 17 OK 22 98 - 22 - 1418/3.0=2, 1418/3.0=2...(9) HA GLU 25 - HD2 ARG 26 OK 15 64 - 24 - ~5926=5, 3.6/532=5...(7) HA GLU 25 - HD3 ARG 26 OK 15 64 - 24 - ~5926=5, 3.6/532=5...(7) HA ARG 27 - HD2 ARG 71 OK 15 60 - 25 - ~65=3, 1418/3.0=2...(11) HA ARG 23 - HD2 ARG 26 OK 12 96 - 13 - 5341/6.1=2, 3.6/5300=1 HA ARG 23 - HD3 ARG 26 OK 12 95 - 13 - 5341/6.1=2, 3.6/5300=1 HA ALA 30 - HD2 ARG 26 OK 11 81 - 14 - ~4194=3, ~5537=2...(6) HA ALA 30 - HD3 ARG 26 OK 11 81 - 14 - ~4194=3, ~5537=2...(6) HA ARG 23 - HD3 ARG 17 lone 9 93 - 9 - HA ARG 23 - HD2 ARG 17 lone 9 93 - 9 - HA GLU 25 - HD3 ARG 27 poor 8 65 - 13 - 3.6/532=3, 534/6.3=2...(5) HA GLU 25 - HD2 ARG 27 poor 8 65 - 13 - 3.6/532=3, 534/6.3=2...(5) HA GLN 91 - HD2 ARG 26 lone 7 86 - 8 - 3661/3.5=2, 3661/3.5=2 HA GLN 91 - HD3 ARG 26 lone 7 85 - 8 - 3661/3.5=2, 3661/3.5=2 HA ALA 30 - HD2 ARG 23 lone 7 82 - 8 - 1285/2.9=2, 508/6.0=1 HA ALA 30 - HD3 ARG 23 lone 7 82 - 8 - 1285/2.9=2, 508/6.0=1 HA ARG 27 - HD3 ARG 66 poor 6 48 - 13 - HA ARG 27 - HD2 ARG 66 poor 6 45 - 13 - HA ALA 30 - HD3 ARG 27 lone 6 83 - 7 - 534/6.3=2, 5344/3.5=1 HA ALA 30 - HD2 ARG 27 lone 6 83 - 7 - 534/6.3=2, 5344/3.5=1 HB THR 88 - HD2 ARG 27 lone 6 100 - 6 - 534/6.3=1 HB THR 88 - HD3 ARG 27 lone 6 100 - 6 - 534/6.3=1 HA ARG 23 - HD3 ARG 66 poor 5 43 - 12 - HB THR 88 - HD2 ARG 26 lone 5 99 - 5 - 3589/6.1=2 HB THR 88 - HD3 ARG 26 lone 5 99 - 5 - 3589/6.1=2 HA ARG 23 - HD2 ARG 66 poor 5 40 - 12 - HA ARG 23 - HD2 ARG 82 lone 5 70 - 7 - 1265/3.0=1, 1264/3.6=1 HA ARG 23 - HD2 ARG 71 lone 5 54 - 8 - HA ARG 27 - HD3 ARG 84 lone 4 83 - 4 - HB THR 88 - HD2 ARG 23 lone 4 100 - 3 - HB THR 88 - HD3 ARG 23 lone 4 100 - 3 - HB THR 88 - HD3 ARG 17 lone 4 98 - 4 - HB THR 88 - HD2 ARG 17 lone 4 98 - 4 - HA ARG 27 - HD2 ARG 84 lone 4 78 - 4 - HA ALA 30 - HD3 ARG 66 lone 3 34 - 8 - ~4194=2, 4842/3.0=1, ~5537=1 HA ARG 23 - HD3 ARG 84 lone 3 76 - 3 - HA ASN 49 - HD2 ARG 23 lone 2 75 - 3 - HA ASN 49 - HD3 ARG 23 lone 2 75 - 3 - HA ALA 30 - HD2 ARG 66 lone 3 31 - 8 - ~4194=2, 4842/3.0=1, ~5537=1 HA GLN 91 - HD3 ARG 23 lone 2 86 - 3 - HA GLN 91 - HD2 ARG 23 lone 2 86 - 3 - HA GLU 25 - HD2 ARG 17 lone 2 61 - 4 - HA GLU 25 - HD3 ARG 17 lone 2 61 - 4 - HA ARG 23 - HD2 ARG 84 lone 2 72 - 3 - HA ALA 30 - HD2 ARG 71 lone 2 43 - 5 - ~4843=2 HA ARG 27 - HD2 ARG 82 lone 2 76 - 3 - HA GLN 91 - HD3 ARG 27 lone 2 87 - 2 - HA GLN 91 - HD2 ARG 27 lone 2 87 - 2 - HA GLU 25 - HD3 ARG 23 lone 2 65 - 3 - HA GLU 25 - HD2 ARG 23 lone 2 65 - 3 - HA ALA 30 - HD3 ARG 84 lone 2 62 - 3 - HA GLU 25 - HD2 ARG 71 lone 2 32 - 5 - HA ALA 30 - HD2 ARG 84 lone 2 58 - 3 - HB THR 88 - HD3 ARG 84 lone 1 82 - 2 - HA ASN 49 - HD3 ARG 84 lone 1 56 - 2 - ~177=1 HA ALA 30 - HD3 ARG 17 lone 1 78 - 2 - HA ALA 30 - HD2 ARG 17 lone 1 78 - 2 - HA ASN 49 - HD2 ARG 27 lone 1 76 - 2 - HA ASN 49 - HD3 ARG 27 lone 1 76 - 2 - HA ASN 49 - HD2 ARG 26 lone 1 75 - 2 - HB THR 88 - HD2 ARG 84 lone 1 77 - 2 - HA ASN 49 - HD3 ARG 26 lone 1 74 - 2 - HA GLU 25 - HD3 ARG 66 lone 1 25 - 5 - 3.6/532=2 HA GLU 25 - HD3 ARG 84 lone 1 47 - 2 - HA GLN 91 - HD2 ARG 17 lone 1 83 - 1 - HA GLN 91 - HD3 ARG 17 lone 1 83 - 1 - HA ALA 30 - HD2 ARG 82 lone 1 56 - 2 - HA ASN 49 - HD2 ARG 84 lone 1 52 - 2 - HA GLU 25 - HD2 ARG 66 lone 1 23 - 5 - 3.6/532=2 HA GLU 25 - HD2 ARG 84 lone 1 44 - 2 - HB THR 88 - HD2 ARG 82 lone 1 76 - 1 - HB THR 88 - HD2 ARG 71 lone 1 59 - 2 - HA GLN 91 - HD3 ARG 66 lone 1 36 - 3 - HA GLN 91 - HD2 ARG 82 lone 1 60 - 2 - HA GLN 91 - HD2 ARG 66 lone 1 34 - 3 - HA ASN 49 - HD2 ARG 17 lone 1 72 - 1 - HA ASN 49 - HD3 ARG 17 lone 1 72 - 1 - HA GLN 91 - HD3 ARG 84 lone 1 66 - 1 - HA GLN 91 - HD2 ARG 84 lone 1 62 - 1 - HA ASN 49 - HD2 ARG 82 lone 1 51 - 1 - HB THR 88 - HD3 ARG 66 lone 1 47 - 1 - HB THR 88 - HD2 ARG 66 lone 1 44 - 1 - HA GLN 91 - HD2 ARG 71 lone 1 46 - 1 - HA GLU 25 - HD2 ARG 82 lone 1 43 - 1 - HA ASN 49 - HD2 ARG 71 lone 0 38 - 1 - HA ASN 49 - HD3 ARG 66 lone 0 30 - 1 - HA ASN 49 - HD2 ARG 66 lone 0 28 - 1 - Peak 1464 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.84 A): 10 out of 196 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB3 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) * HB2 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 17 + HD2 ARG 17 OK 62 91 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 17 + HD3 ARG 17 OK 62 91 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 26 - HD2 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 26 - HD3 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD2 ARG 26 OK 42 62 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD3 ARG 26 OK 41 61 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB3 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB2 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 66 - HD3 ARG 66 OK 20 30 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - 1164/3.6=1, ~2934=1, 2.8/2934=1 HB2 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - 1164/3.6=1, ~2934=1, 2.8/2934=1 HB3 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 66 - HD2 ARG 66 OK 18 28 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 66 - HD2 ARG 26 OK 14 75 - 19 - 2.8/2713=1 HB2 ARG 17 - HD2 ARG 26 OK 14 93 - 15 - HB2 ARG 17 - HD3 ARG 26 OK 14 93 - 15 - HB2 ARG 66 - HD3 ARG 26 OK 13 74 - 18 - 2.8/2713=1 HB2 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB3 ARG 23 - HD2 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 100 - 12 - 3.0/1291=1 HB2 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB2 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB2 ARG 17 - HD2 ARG 27 OK 11 95 - 12 - HB2 ARG 17 - HD3 ARG 27 OK 11 95 - 12 - HB2 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB3 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB2 ARG 26 - HD3 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 26 - HD2 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB2 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB2 ARG 71 - HD2 ARG 66 poor 10 45 - 21 - ~5167=1 HB3 ARG 71 - HD2 ARG 66 poor 10 45 - 21 - ~5167=1 HB3 ARG 26 - HD3 ARG 27 poor 9 63 - 15 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 9 63 - 15 - 4.6/5382=1 HB2 ARG 17 - HD2 ARG 23 lone 8 94 - 8 - HB2 ARG 17 - HD3 ARG 23 lone 8 94 - 8 - HB2 ARG 26 - HD2 ARG 71 poor 7 32 - 23 - 2931/3.0=1, ~2929=1 HB3 ARG 26 - HD2 ARG 71 poor 7 31 - 23 - 2931/3.0=1, ~2929=1 HB2 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB3 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB2 ARG 17 - HD3 ARG 84 lone 7 74 - 9 - HB3 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB3 ARG 23 - HD3 ARG 26 lone 6 99 - 6 - HB2 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB2 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 17 - HD2 ARG 71 poor 6 52 - 13 - 2930/3.0=2 HB2 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB3 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 17 - HD2 ARG 84 lone 6 69 - 9 - HB3 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB3 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 26 - HD3 ARG 66 poor 6 25 - 25 - 2686/3.0=1, 3.0/1396=1...(4) HB2 ARG 26 - HD3 ARG 17 lone 6 61 - 10 - HB2 ARG 26 - HD2 ARG 17 lone 6 61 - 10 - HB3 ARG 26 - HD3 ARG 17 lone 6 59 - 10 - HB3 ARG 26 - HD2 ARG 17 lone 6 59 - 10 - HB3 ARG 26 - HD3 ARG 66 poor 6 24 - 25 - 2686/3.0=1, ~2708=1...(4) HB2 ARG 26 - HD2 ARG 66 poor 6 23 - 25 - 2686/3.0=1, ~2708=1...(4) HB2 LYS 39 - HD3 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HD2 ARG 23 lone 6 100 - 6 - HB2 ARG 27 - HD2 ARG 71 lone 6 60 - 9 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2930/3.0=1 HB3 PRO 34 - HD2 ARG 26 lone 5 79 - 7 - HB3 ARG 26 - HD2 ARG 66 poor 5 22 - 25 - 2686/3.0=1, ~2708=1...(4) HB3 PRO 34 - HD3 ARG 26 lone 5 79 - 7 - HB2 ARG 66 - HD3 ARG 23 lone 4 75 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 4 75 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 4 76 - 5 - HB2 ARG 66 - HD3 ARG 27 lone 4 76 - 5 - HB2 ARG 66 - HD2 ARG 71 poor 4 38 - 10 - HB2 ARG 26 - HD3 ARG 23 lone 3 65 - 5 - HB2 ARG 26 - HD2 ARG 23 lone 3 65 - 5 - HB3 ARG 23 - HD3 ARG 66 lone 3 47 - 7 - HB2 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 26 - HD2 ARG 23 lone 3 62 - 5 - HB3 ARG 26 - HD3 ARG 23 lone 3 62 - 5 - HB3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 44 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 LYS 39 - HD3 ARG 84 lone 3 83 - 3 - HB3 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 78 - 3 - HB2 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB3 ARG 23 - HD2 ARG 71 lone 2 59 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB3 PRO 34 - HD2 ARG 71 lone 2 42 - 6 - HB2 LYS 75 - HD3 ARG 23 lone 2 97 - 2 - HB2 LYS 75 - HD2 ARG 23 lone 2 97 - 2 - HB2 ARG 66 - HD2 ARG 17 lone 2 72 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 72 - 3 - HB2 ARG 26 - HD3 ARG 84 lone 2 47 - 3 - HB3 ARG 26 - HD3 ARG 84 lone 2 45 - 3 - HB2 ARG 26 - HD2 ARG 84 lone 2 44 - 3 - HB3 ARG 26 - HD2 ARG 84 lone 2 42 - 3 - HB2 LYS 39 - HD2 ARG 17 lone 1 98 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 1 98 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 1 77 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB ILE 89 - HD3 ARG 84 lone 1 43 - 3 - HB2 LYS 39 - HD2 ARG 82 lone 1 76 - 2 - HB ILE 89 - HD2 ARG 27 lone 1 60 - 2 - HB ILE 89 - HD3 ARG 27 lone 1 60 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 77 - 1 - HB ILE 89 - HD2 ARG 84 lone 1 40 - 3 - HB2 LYS 75 - HD2 ARG 84 lone 1 73 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 41 - 2 - HB2 LYS 75 - HD2 ARG 71 lone 1 55 - 2 - HB3 PRO 34 - HD2 ARG 27 lone 1 81 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 81 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 39 - 2 - HB2 LYS 39 - HD2 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 99 - 1 - HB2 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 100 - 1 - HB ILE 89 - HD3 ARG 17 lone 1 56 - 1 - HB ILE 89 - HD2 ARG 17 lone 1 56 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 80 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 80 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 94 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 94 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 59 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 58 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 60 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 59 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 59 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 60 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 55 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 56 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 1 48 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 76 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 76 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 45 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 96 - 0 - HB2 LYS 75 - HD3 ARG 26 lone 0 96 - 0 - HB3 PRO 34 - HD3 ARG 66 lone 1 33 - 2 - HB2 LYS 75 - HD2 ARG 82 lone 0 71 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 0 30 - 2 - HB2 ARG 66 - HD3 ARG 84 lone 0 56 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 52 - 1 - HB ILE 89 - HD2 ARG 82 lone 0 39 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 51 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 44 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 43 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 41 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 41 - 1 - HB ILE 89 - HD2 ARG 71 lone 0 29 - 1 - HB ILE 89 - HD3 ARG 66 lone 0 23 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 21 - 0 - Peak 1465 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 2.84 A): 11 out of 182 assignments used, quality = 1.00: HB3 ARG 23 + HD2 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB3 ARG 23 + HD3 ARG 23 OK 71 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD2 ARG 23 OK 70 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 23 + HD3 ARG 23 OK 70 99 - 71 - 3.5=52, 1287/2.9=7...(17) HB2 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) * HB3 ARG 27 + HD3 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB3 ARG 27 + HD2 ARG 27 OK 69 100 - 69 - 3.5=52, 1449/3.0=2...(13) HB2 ARG 17 + HD3 ARG 17 OK 61 89 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 17 + HD2 ARG 17 OK 61 89 - 69 - 3.6=49, 1159/3.0=3...(22) HB2 ARG 26 + HD2 ARG 26 OK 45 67 - 68 - 3.5=55, 3.9/532=2...(8) HB2 ARG 26 - HD3 ARG 26 OK 45 66 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD2 ARG 26 OK 44 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 26 - HD3 ARG 26 OK 43 64 - 68 - 3.5=55, 3.9/532=2...(8) HB3 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 71 OK 38 60 - 63 - 3.5=52, 1157/3.0=3...(9) HB2 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB3 ARG 71 - HD2 ARG 26 OK 31 100 - 32 - ~1391=1, ~2935=1, 1157/3.0=1 HB2 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB3 ARG 71 - HD3 ARG 26 OK 31 99 - 32 - ~1391=1, ~2935=1...(4) HB2 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1420=1 HB3 ARG 27 - HD2 ARG 26 OK 22 100 - 22 - 4.1/5382=1, 3.0/1421=1 HB2 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1421=1 HB3 ARG 27 - HD3 ARG 26 OK 22 99 - 22 - 4.1/5382=1, 3.0/1420=1 HB2 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD2 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB3 ARG 27 - HD3 ARG 23 OK 21 100 - 21 - 1287/2.9=2, ~1285=1, 1295/2.9=1 HB2 ARG 66 - HD3 ARG 66 OK 21 31 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 66 - HD2 ARG 66 OK 19 29 - 66 - 3.4=56, ~2701=3, ~2707=2...(13) HB2 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB3 ARG 71 - HD2 ARG 17 OK 19 98 - 20 - ~2934=1, 1164/3.6=1, 2.8/2934=1 HB2 ARG 66 - HD2 ARG 26 OK 15 77 - 19 - 2.8/2713=1 HB2 ARG 66 - HD3 ARG 26 OK 14 76 - 18 - 2.8/2713=1 HB2 ARG 17 - HD2 ARG 26 OK 14 92 - 15 - HB2 ARG 17 - HD3 ARG 26 OK 14 92 - 15 - HB2 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB2 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD3 ARG 27 OK 12 100 - 12 - HB3 ARG 71 - HD2 ARG 27 OK 12 100 - 12 - HB3 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 OK 12 99 - 12 - 3.0/1290=1 HB2 ARG 23 - HD2 ARG 27 OK 12 99 - 12 - 3.0/1290=1 HB2 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB2 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD2 ARG 23 OK 11 100 - 11 - HB3 ARG 71 - HD3 ARG 23 OK 11 100 - 11 - HB2 ARG 17 - HD3 ARG 27 OK 11 93 - 12 - HB2 ARG 17 - HD2 ARG 27 OK 11 93 - 12 - HB2 ARG 26 - HD3 ARG 27 OK 10 68 - 15 - 4.6/5382=1 HB2 ARG 26 - HD2 ARG 27 OK 10 68 - 15 - 4.6/5382=1 HB3 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB2 ARG 71 - HD3 ARG 66 OK 10 48 - 21 - ~5167=1 HB3 ARG 26 - HD3 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 10 65 - 15 - 4.6/5382=1 HB2 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB2 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD2 ARG 17 lone 10 98 - 10 - HB3 ARG 27 - HD3 ARG 17 lone 10 98 - 10 - HB3 ARG 71 - HD2 ARG 66 poor 10 45 - 22 - ~5167=1 HB2 ARG 71 - HD2 ARG 66 poor 10 45 - 22 - ~5167=1 HB2 ARG 17 - HD3 ARG 23 lone 8 93 - 8 - HB2 ARG 17 - HD2 ARG 23 lone 8 93 - 8 - HB2 ARG 26 - HD2 ARG 71 poor 8 34 - 23 - 2931/3.0=1, ~2929=1 HB3 ARG 26 - HD2 ARG 71 poor 7 32 - 23 - 2931/3.0=1, ~2929=1 HB2 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB3 ARG 71 - HD3 ARG 84 lone 7 83 - 8 - HB2 ARG 17 - HD3 ARG 84 lone 7 72 - 9 - HB2 ARG 26 - HD3 ARG 66 poor 7 26 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 23 - HD2 ARG 26 lone 6 99 - 6 - HB3 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB2 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 23 - HD2 ARG 26 lone 6 98 - 6 - HB3 ARG 71 - HD2 ARG 84 lone 6 78 - 8 - HB2 ARG 23 - HD3 ARG 26 lone 6 98 - 6 - HB2 ARG 26 - HD2 ARG 17 lone 6 64 - 10 - HB2 ARG 26 - HD3 ARG 17 lone 6 64 - 10 - HB2 ARG 17 - HD2 ARG 71 poor 6 51 - 13 - 2930/3.0=2 HB3 ARG 23 - HD2 ARG 17 lone 6 97 - 6 - HB3 ARG 23 - HD3 ARG 17 lone 6 97 - 6 - HB2 ARG 23 - HD3 ARG 17 lone 6 96 - 6 - HB2 ARG 23 - HD2 ARG 17 lone 6 96 - 6 - HB2 ARG 17 - HD2 ARG 84 lone 6 68 - 9 - HB3 ARG 26 - HD3 ARG 66 poor 6 25 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 26 - HD2 ARG 17 lone 6 61 - 10 - HB3 ARG 26 - HD3 ARG 17 lone 6 61 - 10 - HB2 ARG 26 - HD2 ARG 66 poor 6 24 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 ARG 26 - HD2 ARG 66 poor 6 23 - 25 - 2686/3.0=1, 2708/3.0=1...(4) HB3 PRO 34 - HD2 ARG 26 lone 6 81 - 7 - HB2 LYS 39 - HD2 ARG 23 lone 6 100 - 6 - HB2 LYS 39 - HD3 ARG 23 lone 6 100 - 6 - HB3 PRO 34 - HD3 ARG 26 lone 6 81 - 7 - HB2 ARG 27 - HD2 ARG 71 lone 6 60 - 9 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2930/3.0=1 HB2 ARG 66 - HD3 ARG 23 lone 5 77 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 5 77 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HD2 ARG 27 lone 4 78 - 5 - HB2 ARG 66 - HD2 ARG 71 poor 4 40 - 10 - HB2 ARG 26 - HD3 ARG 23 lone 4 67 - 5 - HB2 ARG 26 - HD2 ARG 23 lone 4 67 - 5 - HB3 ARG 26 - HD3 ARG 23 lone 3 65 - 5 - HB3 ARG 26 - HD2 ARG 23 lone 3 65 - 5 - HB3 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 23 - HD3 ARG 66 lone 3 46 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 ARG 23 - HD2 ARG 66 lone 3 43 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HB2 LYS 39 - HD3 ARG 84 lone 3 83 - 3 - HB2 LYS 39 - HD2 ARG 84 lone 3 78 - 3 - HB3 ARG 23 - HD2 ARG 82 lone 3 75 - 3 - HB2 ARG 23 - HD2 ARG 82 lone 3 74 - 3 - HB3 PRO 34 - HD2 ARG 71 lone 2 43 - 6 - HB3 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB2 ARG 23 - HD2 ARG 71 lone 2 58 - 4 - HB2 LYS 75 - HD2 ARG 23 lone 2 96 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 96 - 2 - HB2 ARG 66 - HD3 ARG 17 lone 2 74 - 3 - HB2 ARG 66 - HD2 ARG 17 lone 2 74 - 3 - HB2 ARG 26 - HD3 ARG 84 lone 2 50 - 3 - HB3 ARG 26 - HD3 ARG 84 lone 2 47 - 3 - HB2 ARG 26 - HD2 ARG 84 lone 2 46 - 3 - HB3 ARG 26 - HD2 ARG 84 lone 2 44 - 3 - HB2 LYS 39 - HD3 ARG 17 lone 1 98 - 1 - HB2 LYS 39 - HD2 ARG 17 lone 1 98 - 1 - HB2 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 1 83 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 1 81 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 1 80 - 2 - HB2 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 1 78 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 1 76 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 1 76 - 2 - HB2 LYS 75 - HD3 ARG 84 lone 1 76 - 1 - HB2 LYS 75 - HD2 ARG 84 lone 1 72 - 1 - HB2 ARG 17 - HD3 ARG 66 lone 1 40 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 83 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 83 - 1 - HB2 LYS 75 - HD2 ARG 71 lone 1 54 - 2 - HB2 LYS 39 - HD2 ARG 26 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 99 - 1 - HB2 ARG 17 - HD2 ARG 66 lone 1 38 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB3 ARG 71 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 100 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 100 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 1 82 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 82 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 93 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 93 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB2 ARG 27 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 39 - HD2 ARG 71 lone 1 60 - 1 - HB3 PRO 34 - HD3 ARG 84 lone 1 62 - 1 - HB3 PRO 34 - HD2 ARG 82 lone 1 56 - 1 - HB3 PRO 34 - HD2 ARG 84 lone 1 58 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 66 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 78 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 78 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 1 48 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 1 97 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 1 97 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 45 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 1 34 - 2 - HB2 LYS 75 - HD2 ARG 26 lone 0 96 - 0 - HB2 LYS 75 - HD3 ARG 26 lone 0 95 - 0 - HB3 PRO 34 - HD2 ARG 66 lone 1 31 - 2 - HB2 LYS 75 - HD2 ARG 82 lone 0 70 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 0 58 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 0 54 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 0 53 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 0 45 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 0 43 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 43 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 40 - 1 - Peak 1466 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.87 A): 11 out of 182 assignments used, quality = 1.00: HG2 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) * HG2 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG3 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 26 + HD2 ARG 26 OK 90 96 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD3 ARG 26 OK 89 96 - 93 - 3.0=92, 4.9/532=1...(5) HG3 ARG 17 + HD3 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 84 92 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 48 53 - 90 - 3.0=88, 1159/3.5=2...(5) HG2 ARG 71 - HD2 ARG 26 OK 26 95 - 28 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 26 94 - 28 - 1394/3.0=3, ~2935=2...(6) HG3 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 17 OK 15 92 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG2 ARG 71 - HD3 ARG 17 OK 15 92 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 14 95 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 94 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG3 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 26 - HD2 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG2 ARG 26 - HD3 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG3 ARG 70 - HD3 ARG 66 OK 11 35 - 33 - ~2871=2, ~2870=2...(10) HG3 ARG 70 - HD2 ARG 66 OK 11 33 - 33 - ~2871=2, ~2870=2...(10) HG2 ARG 71 - HD2 ARG 27 OK 10 96 - 11 - HG2 ARG 71 - HD3 ARG 27 OK 10 96 - 11 - HG2 ARG 26 - HD2 ARG 71 poor 9 55 - 17 - 2932/3.0=2, ~1394=1 HG2 ARG 26 - HD3 ARG 17 lone 8 94 - 9 - HG2 ARG 26 - HD2 ARG 17 lone 8 94 - 9 - HG3 ARG 17 - HD2 ARG 71 poor 8 53 - 16 - 2932/3.0=2, 2878/1.8=1 HG2 ARG 17 - HD2 ARG 71 poor 8 52 - 16 - 2932/3.0=2, 2878/1.8=1 HG3 ARG 17 - HD2 ARG 27 lone 8 96 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 96 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 95 - 8 - HG2 ARG 17 - HD3 ARG 27 lone 8 95 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 95 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 95 - 8 - HG2 ARG 26 - HD3 ARG 66 poor 7 44 - 16 - 1.8/1396=1 HG2 ARG 26 - HD2 ARG 66 poor 7 41 - 16 - 1.8/1396=1, ~1396=1, ~1397=1 HG2 ARG 27 - HD3 ARG 17 lone 6 98 - 7 - HG2 ARG 27 - HD2 ARG 17 lone 6 98 - 7 - HG3 ARG 27 - HD2 ARG 17 lone 6 98 - 7 - HG3 ARG 27 - HD3 ARG 17 lone 6 98 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 6 95 - 7 - HG3 ARG 17 - HD2 ARG 23 lone 6 95 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 6 94 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 6 94 - 7 - HG2 ARG 71 - HD3 ARG 66 poor 6 42 - 15 - ~2935=1, 2927/1.8=1 HG2 ARG 71 - HD2 ARG 66 poor 6 40 - 15 - ~2935=1, 2927/1.8=1, 1.8/2935=1 HG2 ARG 71 - HD3 ARG 84 lone 5 75 - 7 - HG2 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG2 ARG 71 - HD2 ARG 84 lone 5 71 - 7 - HG3 ARG 70 - HD2 ARG 71 poor 5 45 - 11 - 2932/3.0=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD3 ARG 84 lone 5 75 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 74 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 69 - 6 - HB2 LEU 86 - HD3 ARG 17 lone 4 84 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 4 84 - 5 - HG3 ARG 70 - HD2 ARG 26 lone 4 84 - 5 - HD3 LYS 32 - HD2 ARG 71 lone 4 45 - 9 - HG2 ARG 26 - HD3 ARG 23 lone 4 97 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 4 97 - 4 - HG3 ARG 70 - HD3 ARG 26 lone 4 83 - 4 - HD2 LYS 32 - HD2 ARG 71 lone 4 42 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HG2 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HB2 LEU 86 - HD2 ARG 26 lone 3 87 - 3 - HB2 LEU 86 - HD3 ARG 26 lone 3 87 - 3 - HG3 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 3 45 - 7 - HD3 LYS 32 - HD2 ARG 26 lone 3 84 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 83 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 79 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 79 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 77 - 3 - HD2 LYS 73 - HD2 ARG 71 lone 2 42 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 2 42 - 5 - HG2 ARG 26 - HD2 ARG 84 lone 2 73 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 2 64 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 68 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 2 60 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 2 60 - 3 - HG3 ARG 70 - HD3 ARG 17 lone 2 81 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 81 - 2 - HB2 LEU 86 - HD2 ARG 84 lone 2 63 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 81 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 81 - 2 - HD2 LYS 73 - HD3 ARG 84 lone 2 60 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 60 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 56 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 76 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 76 - 2 - HD3 LYS 73 - HD2 ARG 84 lone 2 56 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 56 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 42 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 2 41 - 4 - HB2 LEU 86 - HD3 ARG 27 lone 1 89 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 1 89 - 2 - HG3 ARG 17 - HD2 ARG 66 lone 1 40 - 4 - HD3 LYS 73 - HD2 ARG 26 lone 1 79 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 1 79 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 85 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 1 85 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 79 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 1 79 - 2 - HG2 ARG 17 - HD2 ARG 66 lone 1 39 - 4 - HB2 LEU 86 - HD2 ARG 23 lone 1 88 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 88 - 1 - HG3 ARG 70 - HD3 ARG 84 lone 1 64 - 2 - HD3 LYS 32 - HD3 ARG 27 lone 1 85 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 85 - 1 - HG3 ARG 70 - HD2 ARG 84 lone 1 60 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 1 76 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 76 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 1 76 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 1 76 - 2 - HD2 LYS 32 - HD3 ARG 27 lone 1 81 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 81 - 1 - HG2 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HB2 LEU 86 - HD2 ARG 71 lone 1 47 - 2 - HG2 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HB3 GLN 61 - HD2 ARG 23 lone 1 62 - 1 - HB3 GLN 61 - HD3 ARG 23 lone 1 62 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 69 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 80 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 80 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 80 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 80 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 37 - 2 - HD3 LYS 32 - HD3 ARG 23 lone 1 84 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 84 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 84 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 84 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 81 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 81 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 81 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 81 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 69 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 35 - 2 - HD2 LYS 32 - HD2 ARG 23 lone 1 80 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 80 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 35 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 33 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 33 - 2 - HG2 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 1 30 - 2 - HD3 LYS 32 - HD2 ARG 82 lone 0 58 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 71 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 0 63 - 1 - HB3 GLN 61 - HD3 ARG 27 lone 0 63 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 0 24 - 2 - HD3 LYS 73 - HD2 ARG 82 lone 0 55 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 55 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 55 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 0 22 - 2 - HG3 ARG 70 - HD2 ARG 82 lone 0 58 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 33 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 0 33 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 62 - 0 - HD2 LYS 73 - HD2 ARG 66 lone 0 30 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 30 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 62 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 61 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 59 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 59 - 0 - HB3 GLN 61 - HD3 ARG 84 lone 0 45 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 42 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 41 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 31 - 0 - Peak 1467 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.87 A): 11 out of 182 assignments used, quality = 1.00: * HG3 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG3 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 27 + HD2 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 27 + HD3 ARG 27 OK 93 100 - 93 - 3.0=91, 1419/5.4=2...(5) HG2 ARG 26 + HD2 ARG 26 OK 89 96 - 93 - 3.0=92, 4.9/532=1...(5) HG2 ARG 26 + HD3 ARG 26 OK 88 95 - 93 - 3.0=92, 4.9/532=1...(5) HG3 ARG 17 + HD3 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 83 91 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 82 89 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 17 + HD2 ARG 17 OK 82 89 - 92 - 3.0=89, 1167/3.6=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 47 52 - 90 - 3.0=88, 1159/3.5=2...(5) HG2 ARG 71 - HD2 ARG 26 OK 26 93 - 28 - 1394/3.0=3, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 26 OK 25 93 - 28 - 1394/3.0=3, ~2935=2...(6) HG3 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG2 ARG 27 - HD2 ARG 26 OK 18 100 - 18 - 1394/3.0=2 HG3 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 26 OK 18 99 - 18 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 17 OK 15 91 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG2 ARG 71 - HD3 ARG 17 OK 15 91 - 17 - ~2934=1, 1.8/2934=1, 2926/1.8=1 HG3 ARG 17 - HD2 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD2 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 17 - HD3 ARG 26 OK 13 93 - 14 - 1394/3.0=1 HG2 ARG 17 - HD3 ARG 26 OK 13 92 - 14 - 1394/3.0=1 HG3 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG3 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD2 ARG 23 OK 12 100 - 12 - HG2 ARG 27 - HD3 ARG 23 OK 12 100 - 12 - HG2 ARG 26 - HD3 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG2 ARG 26 - HD2 ARG 27 OK 12 97 - 12 - 1.8/1396=1 HG3 ARG 70 - HD3 ARG 66 OK 11 34 - 33 - ~2871=2, ~2870=2...(10) HG3 ARG 70 - HD2 ARG 66 OK 10 31 - 33 - ~2871=2, ~2870=2...(10) HG2 ARG 71 - HD3 ARG 27 poor 10 95 - 11 - HG2 ARG 71 - HD2 ARG 27 poor 10 95 - 11 - HG2 ARG 26 - HD2 ARG 71 poor 9 54 - 17 - 2932/3.0=2, ~1394=1 HG2 ARG 26 - HD2 ARG 17 lone 8 93 - 9 - HG2 ARG 26 - HD3 ARG 17 lone 8 93 - 9 - HG3 ARG 17 - HD2 ARG 71 poor 8 52 - 16 - 2932/3.0=2 HG3 ARG 17 - HD2 ARG 27 lone 8 95 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 8 95 - 8 - HG2 ARG 17 - HD2 ARG 71 poor 8 51 - 16 - 2932/3.0=2 HG2 ARG 17 - HD3 ARG 27 lone 8 93 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 8 93 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 8 94 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 8 94 - 8 - HG2 ARG 26 - HD3 ARG 66 poor 7 43 - 16 - 1.8/1396=1 HG2 ARG 27 - HD3 ARG 17 lone 6 98 - 6 - HG2 ARG 27 - HD2 ARG 17 lone 6 98 - 6 - HG3 ARG 27 - HD3 ARG 17 lone 6 98 - 6 - HG3 ARG 27 - HD2 ARG 17 lone 6 98 - 6 - HG2 ARG 26 - HD2 ARG 66 poor 6 40 - 16 - 1.8/1396=1, ~1396=1, ~1397=1 HG3 ARG 17 - HD2 ARG 23 lone 6 94 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 6 94 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 6 93 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 6 93 - 7 - HG2 ARG 71 - HD3 ARG 66 poor 6 41 - 15 - ~2935=1, 2927/1.8=1 HG2 ARG 71 - HD2 ARG 66 poor 6 39 - 15 - ~2935=1, 2927/1.8=1, 1.8/2935=1 HG2 ARG 71 - HD3 ARG 84 lone 5 74 - 7 - HG3 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - HG2 ARG 27 - HD2 ARG 71 lone 5 60 - 9 - 2932/3.0=1 HG2 ARG 71 - HD2 ARG 84 lone 5 69 - 7 - HG3 ARG 70 - HD2 ARG 71 poor 5 43 - 11 - 2932/3.0=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD3 ARG 84 lone 4 74 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 72 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 69 - 6 - HG2 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HB2 LEU 86 - HD3 ARG 17 lone 4 83 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 4 83 - 5 - HG3 ARG 70 - HD2 ARG 26 lone 4 81 - 5 - HG2 ARG 26 - HD2 ARG 23 lone 4 96 - 4 - HG2 ARG 26 - HD3 ARG 23 lone 4 96 - 4 - HD3 LYS 32 - HD2 ARG 71 lone 4 43 - 9 - HG3 ARG 70 - HD3 ARG 26 lone 4 81 - 4 - HD2 LYS 32 - HD2 ARG 71 lone 3 40 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 3 48 - 7 - HG2 ARG 27 - HD3 ARG 66 lone 3 48 - 6 - HB2 LEU 86 - HD2 ARG 26 lone 3 86 - 3 - HG3 ARG 27 - HD2 ARG 66 lone 3 45 - 6 - HG2 ARG 27 - HD2 ARG 66 lone 3 45 - 6 - HB2 LEU 86 - HD3 ARG 26 lone 3 85 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 3 81 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 81 - 3 - HD2 LYS 32 - HD2 ARG 26 lone 3 77 - 3 - HD2 LYS 32 - HD3 ARG 26 lone 3 76 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 76 - 3 - HD2 LYS 73 - HD2 ARG 71 lone 2 40 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 2 40 - 5 - HG2 ARG 26 - HD2 ARG 84 lone 2 72 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 2 62 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 66 - 3 - HG3 ARG 70 - HD3 ARG 17 lone 2 78 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 84 lone 2 58 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 2 58 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 62 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 78 - 2 - HD2 LYS 73 - HD3 ARG 84 lone 2 58 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 2 58 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 2 54 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 74 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 74 - 2 - HD3 LYS 73 - HD2 ARG 84 lone 2 54 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 2 54 - 3 - HG3 ARG 17 - HD3 ARG 66 lone 2 41 - 4 - HG2 ARG 17 - HD3 ARG 66 lone 1 40 - 4 - HB2 LEU 86 - HD3 ARG 27 lone 1 87 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 1 87 - 2 - HG3 ARG 17 - HD2 ARG 66 lone 1 39 - 4 - HG3 ARG 70 - HD2 ARG 27 lone 1 83 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 83 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 1 77 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 1 77 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 76 - 2 - HD3 LYS 73 - HD3 ARG 26 lone 1 76 - 2 - HG2 ARG 17 - HD2 ARG 66 lone 1 38 - 4 - HB2 LEU 86 - HD2 ARG 23 lone 1 86 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 86 - 1 - HG3 ARG 70 - HD3 ARG 84 lone 1 62 - 2 - HD3 LYS 32 - HD3 ARG 27 lone 1 83 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 83 - 1 - HG3 ARG 70 - HD2 ARG 84 lone 1 58 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 1 74 - 1 - HD3 LYS 73 - HD3 ARG 17 lone 1 74 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 74 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 74 - 1 - HG2 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 83 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 78 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 78 - 1 - HG2 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 78 - 1 - HB2 LEU 86 - HD2 ARG 71 lone 1 46 - 2 - HB3 GLN 61 - HD2 ARG 23 lone 1 65 - 1 - HB3 GLN 61 - HD3 ARG 23 lone 1 65 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 68 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 77 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 77 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 77 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 77 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 82 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 82 - 1 - HB2 LEU 86 - HD3 ARG 66 lone 1 36 - 2 - HG3 ARG 70 - HD3 ARG 23 lone 1 82 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 82 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 78 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 78 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 78 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 78 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 68 - 1 - HB2 LEU 86 - HD2 ARG 66 lone 1 34 - 2 - HG2 ARG 17 - HD2 ARG 82 lone 1 66 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 77 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 77 - 1 - HD3 LYS 32 - HD3 ARG 66 lone 1 34 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 31 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 31 - 2 - HG2 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 0 76 - 1 - HB3 GLN 61 - HD3 ARG 66 lone 1 25 - 2 - HB3 GLN 61 - HD3 ARG 27 lone 0 65 - 1 - HB3 GLN 61 - HD2 ARG 27 lone 0 65 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 0 56 - 1 - HD2 LYS 32 - HD2 ARG 66 lone 0 29 - 2 - HG2 ARG 26 - HD2 ARG 82 lone 0 70 - 1 - HB3 GLN 61 - HD2 ARG 66 lone 0 23 - 2 - HD3 LYS 73 - HD2 ARG 82 lone 0 53 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 0 53 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 0 53 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 0 56 - 1 - HD2 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 0 31 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 60 - 0 - HD2 LYS 73 - HD2 ARG 66 lone 0 29 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 0 29 - 1 - HB3 GLN 61 - HD2 ARG 26 lone 0 64 - 0 - HB3 GLN 61 - HD3 ARG 26 lone 0 64 - 0 - HB3 GLN 61 - HD2 ARG 17 lone 0 61 - 0 - HB3 GLN 61 - HD3 ARG 17 lone 0 61 - 0 - HB3 GLN 61 - HD3 ARG 84 lone 0 47 - 0 - HB3 GLN 61 - HD2 ARG 84 lone 0 44 - 0 - HB3 GLN 61 - HD2 ARG 82 lone 0 43 - 0 - HB3 GLN 61 - HD2 ARG 71 lone 0 32 - 0 - Peak 1468 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 - HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 - HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 - HD2 ARG 71 OK 29 29 - 100 Reference assignment not found: HD2 ARG 27 - HD3 ARG 27 Peak 1469 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 11 out of 14 assignments used, quality = 1.00: HD2 ARG 27 + HD2 ARG 27 OK 100 100 - 100 * HD3 ARG 27 + HD3 ARG 27 OK 100 100 - 100 HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 HD2 ARG 26 + HD2 ARG 26 OK 99 99 - 100 HD3 ARG 26 + HD3 ARG 26 OK 98 98 - 100 HD2 ARG 17 + HD2 ARG 17 OK 95 95 - 100 HD3 ARG 17 + HD3 ARG 17 OK 95 95 - 100 HD3 ARG 84 + HD3 ARG 84 OK 62 62 - 100 HD2 ARG 82 + HD2 ARG 82 OK 55 55 - 100 HD2 ARG 84 + HD2 ARG 84 OK 54 54 - 100 HD3 ARG 66 - HD3 ARG 66 OK 36 36 - 100 HD2 ARG 66 - HD2 ARG 66 OK 31 31 - 100 HD2 ARG 71 - HD2 ARG 71 OK 29 29 - 100 Peak 1470 from cnoeabs.peaks (8.21, 3.96, 54.22 ppm; 4.06 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 - 100 - 3.0=100 H GLU 25 - HA ALA 28 OK 33 96 - 35 - 5511/2.1=9, ~4181=6...(10) H ALA 77 - HA ALA 28 OK 17 95 - 18 - 349=4, 76/3.6=3...(5) H ARG 84 - HA ALA 28 OK 13 93 - 13 - 76/3.6=5, 1473/2.1=3, 542=2 H SER 22 - HA ALA 28 lone 9 100 - 9 - 36=2, 1473/2.1=2, 76/3.6=1 H THR 15 - HA ALA 28 lone 8 98 - 8 - 1473/2.1=2, 76/3.6=2, 3.9/4172=1 H GLN 79 - HA ALA 28 lone 6 100 - 6 - H ALA 12 - HA ALA 28 lone 5 68 - 7 - 465/2.1=1, 2.9/1472=1 Peak 1471 from cnoeabs.peaks (3.96, 3.96, 54.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 28 + HA ALA 28 OK 100 100 - 100 Peak 1472 from cnoeabs.peaks (1.34, 3.96, 54.22 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 28 + HA ALA 28 OK 100 100 - 100 - 2.1=100 HG3 LYS 32 - HA ALA 28 OK 31 97 - 32 - 1595=4, 543/3.0=3...(11) HB2 LEU 52 - HA ALA 28 OK 28 100 - 28 - ~5532=4, 1.8/4175=4...(11) HB2 LEU 51 - HA ALA 28 OK 11 89 - 12 - 78/3.6=2, 3.9/188=1 QB ALA 12 - HA ALA 28 lone 5 99 - 5 - QG2 THR 58 - HA ALA 28 lone 4 68 - 6 - 4.0/5754=1 QB ALA 16 - HA ALA 28 lone 2 81 - 2 - Peak 1473 from cnoeabs.peaks (8.21, 1.34, 17.80 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 - 100 - 2.9=100 H GLU 25 - QB ALA 28 OK 31 96 - 33 - 2.9/4181=7, 5511=4...(12) H ARG 84 - QB ALA 28 OK 10 93 - 11 - 76/3.6=3, 543=2, 1470/2.1=1 H ALA 77 - QB ALA 28 poor 10 95 - 10 - 349/2.1=2, 76/3.6=2...(4) H THR 15 - QB ALA 28 lone 8 98 - 8 - 3.9/5532=2 H SER 22 - QB ALA 28 lone 6 100 - 6 - H ALA 12 - QB ALA 28 lone 4 68 - 5 - 465=1, 3.0/985=1 H GLN 79 - QB ALA 28 lone 3 100 - 3 - Peak 1474 from cnoeabs.peaks (3.96, 1.34, 17.80 ppm; 3.03 A): 1 out of 12 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 - 100 - 2.1=100 HA LYS 32 - QB ALA 28 OK 34 85 - 40 - 3.6/5303=14, 3.0/3762=5...(12) HA VAL 76 - QB ALA 28 OK 17 97 - 17 - 3984/2.9=2, 3.0/3762=2...(7) HA THR 37 - QB ALA 28 OK 17 78 - 21 - 3.2/6128=12, ~5107=1...(6) HA GLN 61 - QB ALA 28 OK 16 99 - 16 - 3.0/5533=2, 4503/4178=1...(5) HA GLU 50 - QB ALA 28 OK 11 99 - 11 - 3.0/4838=1 HA ARG 66 - QB ALA 28 lone 7 85 - 8 - 3.6/5303=1 HA2 GLY 72 - QB ALA 28 lone 6 100 - 6 - 4797/4758=1 HA2 GLY 21 - QB ALA 28 lone 5 99 - 6 - HA3 GLY 21 - QB ALA 28 lone 5 99 - 5 - HA3 GLY 18 - QB ALA 28 lone 1 60 - 2 - HA2 GLY 18 - QB ALA 28 lone 1 57 - 2 - Peak 1475 from cnoeabs.peaks (1.34, 1.34, 17.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 28 + QB ALA 28 OK 100 100 - 100 Peak 1476 from cnoeabs.peaks (7.95, 4.16, 56.71 ppm; 3.36 A): 1 out of 18 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 H LYS 32 - HA LEU 29 OK 39 97 - 40 - 4205=10, 4.6/5188=9...(13) H VAL 76 - HA LYS 73 OK 26 88 - 30 - 4.0/15432=10, 5431=4...(10) H ALA 63 - HA LEU 29 OK 23 68 - 34 - 1483/3.0=4, 1497/3.7=4...(14) H ARG 70 - HA LYS 73 OK 19 91 - 21 - 295/3.0=4, ~5987=4...(7) H LEU 29 - HA LYS 73 OK 19 91 - 20 - 545=4, 908/3.0=3...(6) H VAL 76 - HA LEU 29 OK 16 99 - 16 - 5431=2, 79/3.6=2...(6) H ARG 70 - HA LEU 29 OK 15 100 - 15 - 79/3.6=3, 1483/3.0=3...(5) H LYS 32 - HA LYS 73 OK 15 85 - 18 - 4205=3, 4.6/5188=2...(6) H LEU 29 - HA ARG 84 OK 14 64 - 22 - 76/3.0=4, 545=4...(6) H ARG 70 - HA ARG 84 poor 8 64 - 12 - 5390/3.6=3, 297/3.0=2...(4) H ASP 67 - HA LEU 29 lone 6 81 - 8 - 1483/3.0=1, 79/3.6=1, 1497/3.7=1 H VAL 76 - HA ARG 84 lone 5 61 - 9 - 5431=1, 907/3.0=1 H ALA 63 - HA LYS 73 lone 4 57 - 7 - H LYS 32 - HA ARG 84 lone 3 58 - 5 - H ASP 67 - HA LYS 73 lone 2 68 - 3 - H ASP 67 - HA ARG 84 lone 1 45 - 3 - H ALA 63 - HA ARG 84 lone 1 37 - 3 - Peak 1477 from cnoeabs.peaks (4.16, 4.16, 56.71 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 HA LYS 73 + HA LYS 73 OK 79 79 - 100 HA ARG 84 - HA ARG 84 OK 40 40 - 100 Peak 1478 from cnoeabs.peaks (1.72, 4.16, 56.71 ppm; 3.21 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 HB2 ARG 84 + HA ARG 84 OK 59 59 - 100 - 3.0=100 HB3 LEU 64 - HA LEU 29 OK 26 85 - 30 - 546/3.0=4, 1499/3.7=3...(15) HB2 LEU 43 - HA LEU 29 OK 25 99 - 25 - 1499/3.7=3, 546/3.0=2...(10) HB3 LYS 85 - HA LYS 73 OK 22 89 - 25 - 6062=4, 3299/3.0=2...(8) HB2 LEU 29 - HA LYS 73 OK 21 91 - 23 - 1484=4, 3764/3.0=3...(8) HB2 ARG 84 - HA LEU 29 OK 19 97 - 20 - 546/3.0=3, 1499/3.7=2...(5) HB3 LYS 85 - HA ARG 84 OK 16 63 - 25 - 4.0/377=6, 6062=4...(7) HB2 ARG 84 - HA LYS 73 OK 15 86 - 17 - 3378/3.0=2, 1.8/3384=2...(5) HB2 LEU 29 - HA ARG 84 OK 14 64 - 22 - 1484=3, 3385/3.0=2...(9) HB3 LYS 83 - HA ARG 84 OK 12 64 - 19 - 369/3.0=5, 6062=3...(7) HG2 ARG 70 - HA LEU 29 OK 10 99 - 10 - 546/3.0=2, 1499/3.7=1 HB3 LYS 85 - HA LEU 29 lone 9 99 - 9 - 6062=1, 546/3.0=1 HB3 LYS 83 - HA LYS 73 lone 8 91 - 9 - 6062=1, 4.0/359=1 HB2 ARG 82 - HA LEU 29 poor 8 78 - 11 - 3235=2 HB3 LYS 83 - HA LEU 29 lone 7 100 - 7 - 546/3.0=1, 6062=1 HG3 ARG 66 - HA LEU 29 lone 6 81 - 8 - 546/3.0=1 HB2 ARG 82 - HA LYS 73 lone 6 66 - 10 - 3235=2, 4.0/5473=1 HG2 ARG 70 - HA LYS 73 lone 5 88 - 6 - HG2 ARG 70 - HA ARG 84 lone 5 61 - 8 - 5488/3.6=2 HB2 ARG 82 - HA ARG 84 lone 4 43 - 9 - 3235=2, 4.0/5473=1 HB2 LEU 43 - HA LYS 73 lone 4 88 - 4 - HB2 LEU 43 - HA ARG 84 lone 3 61 - 5 - HB3 ARG 17 - HA ARG 84 lone 3 35 - 8 - HB3 LEU 64 - HA ARG 84 lone 2 48 - 5 - HB3 LEU 64 - HA LYS 73 lone 2 72 - 3 - HB3 ARG 17 - HA LYS 73 lone 2 54 - 3 - HB3 ARG 17 - HA LEU 29 lone 1 65 - 2 - HG3 ARG 66 - HA LYS 73 lone 1 68 - 1 - HG3 ARG 66 - HA ARG 84 lone 1 45 - 1 - Peak 1479 from cnoeabs.peaks (1.58, 4.16, 56.71 ppm; 3.27 A): 3 out of 33 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 HG3 ARG 84 + HA ARG 84 OK 45 56 - 80 - 3.9=59, 3380/3.0=6...(26) HG2 ARG 84 + HA ARG 84 OK 45 56 - 80 - 3.9=59, 3380/3.0=6...(26) HB3 LEU 62 - HA LEU 29 OK 42 99 - 43 - 1491=5, 1486/3.0=4...(17) HG LEU 86 - HA LEU 29 OK 41 87 - 47 - 2.1/1481=5, 2.1/1482=5...(24) HB3 LEU 86 - HA LEU 29 OK 40 89 - 45 - 1491=4, 1486/3.0=4...(21) HG LEU 62 - HA LEU 29 OK 38 93 - 41 - 2.1/1481=4, 1486/3.0=3...(18) HB3 LEU 29 - HA LYS 73 OK 20 91 - 22 - 1.8/1484=3, 1491=2...(9) HG3 ARG 84 - HA LEU 29 OK 16 95 - 17 - 547/3.0=2, 1486/3.0=2...(4) HG2 ARG 84 - HA LEU 29 OK 16 95 - 17 - 547/3.0=2, 1486/3.0=2...(4) HB3 LEU 51 - HA LEU 29 OK 16 85 - 18 - 1.8/4183=2, 2227/4.0=2...(8) HB3 LEU 29 - HA ARG 84 OK 13 64 - 20 - 1.8/1484=2, 1491=2...(6) HG2 ARG 84 - HA LYS 73 OK 11 82 - 13 - 3.0/3384=1, 3.0/3376=1 HG3 ARG 84 - HA LYS 73 OK 11 82 - 13 - 3.0/3384=1, 3.0/3376=1 HD3 LYS 39 - HA LYS 73 OK 10 91 - 11 - HD2 LYS 39 - HA LYS 73 OK 10 91 - 11 - HB3 LEU 62 - HA LYS 73 lone 9 88 - 10 - 1491=1 HG LEU 62 - HA LYS 73 lone 8 81 - 10 - 2.1/1481=1 HG3 ARG 54 - HA LEU 29 lone 6 100 - 6 - 4.8/4582=2 HD3 LYS 39 - HA LEU 29 lone 6 100 - 5 - HD2 LYS 39 - HA LEU 29 lone 5 100 - 5 - HG LEU 86 - HA LYS 73 lone 5 74 - 7 - HB3 LEU 86 - HA LYS 73 lone 5 76 - 7 - HB3 LEU 51 - HA LYS 73 lone 5 72 - 6 - ~5205=1 HG3 ARG 54 - HA LYS 73 lone 4 90 - 5 - 4.8/4582=1, 4.9/208=1 HB3 LEU 62 - HA ARG 84 lone 3 61 - 5 - HB3 LEU 86 - HA ARG 84 lone 3 51 - 5 - HG LEU 62 - HA ARG 84 lone 3 55 - 5 - HD3 LYS 39 - HA ARG 84 lone 2 64 - 4 - HD2 LYS 39 - HA ARG 84 lone 2 64 - 4 - HG LEU 86 - HA ARG 84 lone 2 50 - 5 - HG3 ARG 54 - HA ARG 84 lone 1 64 - 2 - HB3 LEU 51 - HA ARG 84 lone 1 48 - 2 - Peak 1480 from cnoeabs.peaks (1.67, 4.16, 56.71 ppm; 3.36 A): 1 out of 33 assignments used, quality = 0.93: * HG LEU 29 + HA LEU 29 OK 93 100 - 93 - 3.7=76, 1499/3.0=19...(26) HB3 LEU 64 - HA LEU 29 OK 25 76 - 33 - 1487/3.0=4, 548/3.0=4...(15) HD3 LYS 75 - HA LYS 73 OK 20 86 - 24 - 3118/3.0=1, 3.5/2969=1 HD2 LYS 75 - HA LYS 73 OK 20 86 - 24 - 3118/3.0=1, 3.5/2969=1 HG LEU 29 - HA LYS 73 OK 19 91 - 21 - 1498=3, 3766/3.0=3...(9) HD3 LYS 13 - HA LYS 73 OK 15 87 - 17 - HD2 LYS 13 - HA LYS 73 OK 15 87 - 17 - HG LEU 29 - HA ARG 84 OK 13 64 - 20 - 1498=2, 1499/3.0=2...(7) HB3 LYS 13 - HA LYS 73 OK 12 89 - 13 - 1011/3.0=2, 1014/3.8=1 HB2 ARG 82 - HA LEU 29 OK 11 83 - 13 - 3235=2, 1487/3.0=1, 548/3.0=1 HD3 LYS 13 - HA LEU 29 OK 10 98 - 10 - 1487/3.0=1, 548/3.0=1, 83/3.6=1 HD2 LYS 13 - HA LEU 29 OK 10 98 - 10 - 1487/3.0=1, 548/3.0=1, 83/3.6=1 HB3 LYS 13 - HA LEU 29 lone 10 99 - 10 - 548/3.0=1, 83/3.6=1, 1487/3.0=1 HB3 GLN 61 - HA LEU 29 poor 9 92 - 10 - 83/3.6=2, 548/3.0=2...(4) HD3 LYS 75 - HA LEU 29 lone 8 97 - 8 - 548/3.0=1, 1487/3.0=1 HD2 LYS 75 - HA LEU 29 lone 8 97 - 8 - 548/3.0=1, 1487/3.0=1 HG3 ARG 66 - HA LEU 29 lone 8 81 - 9 - 548/3.0=2, 1487/3.0=1 HB2 ARG 82 - HA LYS 73 poor 7 70 - 11 - 3235=2, 4.0/5473=1, 4.4/359=1 HG2 ARG 23 - HA LEU 29 lone 5 100 - 5 - HB2 ARG 82 - HA ARG 84 lone 4 46 - 10 - 3235=2, 4.0/5473=1, 4.4/359=1 HB3 LEU 64 - HA LYS 73 lone 2 64 - 3 - HB3 LYS 13 - HA ARG 84 lone 2 62 - 3 - HD2 LYS 75 - HA ARG 84 lone 2 59 - 3 - HD3 LYS 75 - HA ARG 84 lone 2 59 - 3 - HG2 ARG 23 - HA LYS 73 lone 2 90 - 2 - HG2 ARG 23 - HA ARG 84 lone 2 64 - 3 - HB3 GLN 61 - HA LYS 73 lone 2 79 - 2 - HB3 LEU 64 - HA ARG 84 lone 2 42 - 5 - HD3 LYS 13 - HA ARG 84 lone 1 60 - 2 - HD2 LYS 13 - HA ARG 84 lone 1 60 - 2 - HG3 ARG 66 - HA LYS 73 lone 1 68 - 1 - HG3 ARG 66 - HA ARG 84 lone 1 45 - 1 - HB3 GLN 61 - HA ARG 84 lone 1 54 - 1 - Peak 1481 from cnoeabs.peaks (0.88, 4.16, 56.71 ppm; 3.43 A): 3 out of 18 assignments used, quality = 0.97: * QD1 LEU 29 + HA LEU 29 OK 89 100 - 89 - 4.0=64, 2.1/1512=9...(21) QD1 LEU 86 + HA LEU 29 OK 49 99 - 50 - 1488/3.0=6, 1505=6...(22) QD1 LEU 62 + HA LEU 29 OK 42 99 - 43 - 1488/3.0=6, 1505=5...(19) QD1 LEU 29 - HA LYS 73 OK 20 91 - 22 - 2.1/1498=3, 3.1/1484=3...(10) HG LEU 51 - HA LEU 29 OK 16 96 - 17 - 1488/3.0=2, 3.0/4183=2...(6) QG2 VAL 90 - HA LEU 29 OK 13 85 - 15 - 4.0/412=3, 1488/3.0=2...(6) QG1 VAL 90 - HA LEU 29 OK 13 83 - 15 - 4.0/412=3, 1488/3.0=1...(6) QD1 LEU 62 - HA LYS 73 OK 12 89 - 13 - 1505=2, ~5263=1, ~3910=1 QD1 LEU 29 - HA ARG 84 OK 12 64 - 18 - 2.1/1498=2, 3.1/1484=2...(8) QD1 LEU 86 - HA LYS 73 lone 9 88 - 10 - 1505=1 HG LEU 51 - HA LYS 73 lone 8 84 - 9 - ~5205=2, 5255/3.8=1, 5257/3.8=1 QD1 LEU 86 - HA ARG 84 lone 4 61 - 7 - QD1 LEU 62 - HA ARG 84 lone 4 63 - 6 - QG2 VAL 90 - HA LYS 73 lone 3 72 - 4 - 4.0/412=2 QG1 VAL 90 - HA LYS 73 lone 3 70 - 4 - 4.0/412=2 HG LEU 51 - HA ARG 84 lone 1 57 - 2 - QG2 VAL 90 - HA ARG 84 lone 1 48 - 2 - 4.0/412=1 QG1 VAL 90 - HA ARG 84 lone 1 46 - 2 - 4.0/412=1 Peak 1482 from cnoeabs.peaks (0.84, 4.16, 56.71 ppm; 3.19 A): 4 out of 15 assignments used, quality = 0.96: * QD2 LEU 29 + HA LEU 29 OK 83 100 - 83 - 4.0=52, 2.1/1480=8...(28) QD2 LEU 86 + HA LEU 29 OK 44 96 - 46 - 1512=6, 1489/3.0=5...(19) QG2 ILE 89 + HA LYS 73 OK 36 91 - 40 - 3612=6, 2.1/3605=5...(17) QD2 LEU 64 + HA LEU 29 OK 35 100 - 35 - 5162/4.9=5, 550/3.0=4...(12) QG2 ILE 89 - HA LEU 29 OK 33 100 - 33 - 3612=5, 2.1/3605=3...(15) QD1 LEU 43 - HA LEU 29 OK 23 92 - 25 - 1489/3.0=3, 5214/3.0=3...(10) QD2 LEU 29 - HA LYS 73 OK 18 91 - 20 - 1512=3, 2.1/1498=2...(8) QG2 ILE 89 - HA ARG 84 OK 15 64 - 24 - 3612=4, 2.1/3605=3...(8) QD2 LEU 29 - HA ARG 84 OK 11 64 - 17 - 1512=2, 2.1/1498=2...(5) QD2 LEU 86 - HA LYS 73 lone 7 84 - 8 - QD2 LEU 64 - HA LYS 73 lone 4 91 - 5 - QD1 LEU 43 - HA LYS 73 lone 4 79 - 5 - QD2 LEU 64 - HA ARG 84 lone 4 64 - 6 - 5015/3.0=1 QD2 LEU 86 - HA ARG 84 lone 4 57 - 6 - QD1 LEU 43 - HA ARG 84 lone 4 54 - 6 - Peak 1483 from cnoeabs.peaks (7.95, 1.72, 41.88 ppm; 3.39 A): 5 out of 6 assignments used, quality = 0.92: * H LEU 29 + HB2 LEU 29 OK 81 100 - 81 - 4.0=61, 548/3.0=13...(12) H ALA 63 + HB2 LEU 29 OK 28 68 - 41 - 3.0/5348=8, 1497/3.0=5...(18) H ARG 70 + HB2 LEU 29 OK 20 100 - 20 - 770=3, 1497/3.0=2...(9) H LYS 32 + HB2 LEU 29 OK 19 97 - 20 - 4205/3.0=7, 79/4.6=3...(6) H VAL 76 + HB2 LEU 29 OK 11 99 - 11 - 5431/3.0=2, 1497/3.0=2...(5) H ASP 67 - HB2 LEU 29 poor 9 81 - 11 - 1497/3.0=1 Peak 1484 from cnoeabs.peaks (4.16, 1.72, 41.88 ppm; 3.53 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 HA ALA 30 - HB2 LEU 29 OK 40 71 - 57 - 3.0/81=12, ~82=5...(24) HA ILE 89 - HB2 LEU 29 OK 27 98 - 28 - 3600/3.1=4, 3.2/1489=3...(13) HA LYS 73 - HB2 LEU 29 OK 24 92 - 27 - 3.0/3764=3, 1478=3...(8) HA ARG 84 - HB2 LEU 29 OK 19 73 - 26 - 3.0/3385=2, 1498/3.0=2...(10) HA ARG 82 - HB2 LEU 29 OK 14 90 - 16 - 3.0/1487=2, 1498/3.0=1...(4) HB THR 15 - HB2 LEU 29 lone 5 99 - 5 - HA ALA 53 - HB2 LEU 29 lone 5 100 - 5 - HA ASN 49 - HB2 LEU 29 lone 4 78 - 5 - HA GLN 91 - HB2 LEU 29 lone 2 65 - 2 - Peak 1485 from cnoeabs.peaks (1.72, 1.72, 41.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 1486 from cnoeabs.peaks (1.58, 1.72, 41.88 ppm; 2.53 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 1.8=100 HB3 LEU 86 - HB2 LEU 29 OK 36 89 - 41 - 1492=5, 3.1/1488=3...(15) HB3 LEU 62 - HB2 LEU 29 OK 35 99 - 35 - 1492=6, 3.1/1488=3...(13) HG LEU 86 - HB2 LEU 29 OK 33 87 - 39 - 2.1/1488=4, 2.1/1489=4...(13) HG LEU 62 - HB2 LEU 29 OK 29 93 - 31 - 2.1/1488=4, 3.0/1492=2...(11) HG2 ARG 84 - HB2 LEU 29 OK 13 95 - 14 - 3401=1, 3.0/3385=1 HG3 ARG 84 - HB2 LEU 29 OK 13 95 - 14 - 3401=1, 3.0/3385=1 HB3 LEU 51 - HB2 LEU 29 OK 11 85 - 13 - 2227/3.1=1, 3.0/1488=1 HD3 LYS 39 - HB2 LEU 29 lone 4 100 - 4 - HD2 LYS 39 - HB2 LEU 29 lone 4 100 - 4 - HG3 ARG 54 - HB2 LEU 29 lone 2 100 - 2 - Peak 1487 from cnoeabs.peaks (1.67, 1.72, 41.88 ppm; 2.52 A): 2 out of 11 assignments used, quality = 0.81: * HG LEU 29 + HB2 LEU 29 OK 77 100 - 77 - 3.0=61, 1500/1.8=9...(20) HB3 LEU 64 + HB2 LEU 29 OK 17 76 - 23 - 3.1/1489=2, 1.8/2622=2...(9) HB2 ARG 82 - HB2 LEU 29 lone 6 83 - 7 - HD2 LYS 13 - HB2 LEU 29 lone 6 98 - 6 - HD3 LYS 13 - HB2 LEU 29 lone 6 98 - 6 - HB3 LYS 13 - HB2 LEU 29 lone 6 99 - 6 - HB3 GLN 61 - HB2 LEU 29 lone 5 92 - 5 - HG3 ARG 66 - HB2 LEU 29 lone 5 81 - 6 - HD3 LYS 75 - HB2 LEU 29 lone 5 97 - 5 - HD2 LYS 75 - HB2 LEU 29 lone 5 97 - 5 - HG2 ARG 23 - HB2 LEU 29 lone 3 100 - 3 - Peak 1488 from cnoeabs.peaks (0.88, 1.72, 41.88 ppm; 3.30 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 QD1 LEU 86 + HB2 LEU 29 OK 59 99 - 60 - 1506=6, 6115/3.0=6...(31) QD1 LEU 62 + HB2 LEU 29 OK 52 99 - 52 - 1506=6, 6115/3.0=5...(20) HG LEU 51 - HB2 LEU 29 OK 22 96 - 23 - 6115/3.0=2, ~4520=2...(10) QG2 VAL 90 - HB2 LEU 29 OK 14 85 - 16 - 3.2/5348=3, 6115/3.0=1...(4) QG1 VAL 90 - HB2 LEU 29 OK 13 83 - 16 - 3.2/5348=3, 6115/3.0=1...(4) Peak 1489 from cnoeabs.peaks (0.84, 1.72, 41.88 ppm; 3.44 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 QD2 LEU 86 + HB2 LEU 29 OK 61 96 - 64 - 1513=8, 1503/3.0=6...(37) QD2 LEU 64 + HB2 LEU 29 OK 48 100 - 49 - 1503/3.0=5, 2643=5...(22) QD1 LEU 43 - HB2 LEU 29 OK 39 92 - 42 - 2032=6, 5214/1.8=5...(16) QG2 ILE 89 - HB2 LEU 29 OK 36 100 - 36 - 3612/3.0=4, 1503/3.0=3...(15) Peak 1490 from cnoeabs.peaks (7.95, 1.58, 41.88 ppm; 3.48 A): 3 out of 18 assignments used, quality = 0.95: * H LEU 29 + HB3 LEU 29 OK 85 100 - 85 - 4.0=66, 546/1.8=20...(12) H ALA 63 + HB3 LEU 62 OK 44 65 - 68 - 4.6=43, 254/4.0=10...(13) H LEU 29 + HB3 LEU 62 OK 36 99 - 37 - 547=6, 549/3.1=5...(14) H ALA 63 - HB3 LEU 29 OK 32 68 - 47 - 1483/1.8=6, 258=6...(19) H LEU 29 - HB3 LEU 86 OK 27 78 - 34 - 547=5, 549/3.1=5...(15) H LYS 32 - HB3 LEU 29 OK 21 97 - 22 - 4205/3.0=8, 1483/1.8=4...(6) H ARG 70 - HB3 LEU 29 OK 17 100 - 16 - 1483/1.8=4, 1497/3.0=2...(7) H VAL 76 - HB3 LEU 29 OK 12 99 - 12 - 1483/1.8=2, 5431/3.0=2...(6) H ARG 70 - HB3 LEU 62 lone 10 99 - 10 - 295/4.6=2, 5830/3.1=2 H ALA 63 - HB3 LEU 86 poor 8 46 - 17 - 258=2, 3.6/2568=2...(7) H ARG 70 - HB3 LEU 86 lone 8 78 - 10 - 5826/4.6=2, 5831/3.1=1 H ASP 67 - HB3 LEU 29 lone 7 81 - 9 - 1483/1.8=2, 1497/3.0=1 H VAL 76 - HB3 LEU 62 lone 7 96 - 7 - 814/3.1=1 H LYS 32 - HB3 LEU 62 lone 5 94 - 5 - H LYS 32 - HB3 LEU 86 lone 3 71 - 5 - H ASP 67 - HB3 LEU 62 lone 3 77 - 4 - H ASP 67 - HB3 LEU 86 lone 2 56 - 4 - 938/4.6=1 H VAL 76 - HB3 LEU 86 lone 2 74 - 2 - Peak 1491 from cnoeabs.peaks (4.16, 1.58, 41.88 ppm; 3.41 A): 2 out of 30 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 HA LEU 29 + HB3 LEU 62 OK 46 99 - 47 - 3.0/1486=4, 1479=4...(25) HA ALA 30 - HB3 LEU 29 OK 38 71 - 54 - 3.0/82=8, ~81=7, ~3764=6...(22) HA LEU 29 - HB3 LEU 86 OK 38 78 - 49 - 3.0/1486=4, 1481/3.1=4...(23) HA ILE 89 - HB3 LEU 29 OK 28 98 - 28 - 1484/1.8=4, 3600/3.1=4...(13) HA LYS 73 - HB3 LEU 29 OK 22 92 - 24 - 1484/1.8=3, 1498/3.0=2...(9) HA ARG 84 - HB3 LEU 29 OK 16 73 - 21 - 1484/1.8=3, 1498/3.0=2...(7) HA ILE 89 - HB3 LEU 86 OK 15 73 - 21 - 4038/4.0=3, 3600/3.1=3...(9) HA ALA 30 - HB3 LEU 62 OK 14 68 - 20 - 3.0/82=4, ~3907=3...(8) HA ARG 82 - HB3 LEU 29 OK 12 90 - 13 - 1484/1.8=2, 1498/3.0=1 HA LYS 73 - HB3 LEU 62 OK 10 88 - 12 - 1481/3.1=1 HA ALA 53 - HB3 LEU 62 lone 7 98 - 7 - 3.6/679=2, 4.8/2304=1 HA ALA 53 - HB3 LEU 29 lone 6 100 - 6 - HA ALA 30 - HB3 LEU 86 poor 5 48 - 11 - 3.0/82=2, ~84=1, ~85=1 HA LYS 73 - HB3 LEU 86 lone 5 66 - 8 - HB THR 15 - HB3 LEU 29 lone 5 99 - 5 - HA ASN 49 - HB3 LEU 29 lone 4 78 - 6 - HA ARG 84 - HB3 LEU 62 lone 4 70 - 6 - HA ARG 84 - HB3 LEU 86 lone 3 50 - 6 - HA ASN 49 - HB3 LEU 62 lone 3 75 - 4 - HA ILE 89 - HB3 LEU 62 lone 3 96 - 3 - HA ARG 82 - HB3 LEU 62 lone 3 87 - 3 - HA ALA 53 - HB3 LEU 86 lone 2 77 - 2 - HA GLN 91 - HB3 LEU 29 lone 2 65 - 2 - HB THR 15 - HB3 LEU 62 lone 1 97 - 1 - HA ARG 82 - HB3 LEU 86 lone 1 64 - 2 - HB THR 15 - HB3 LEU 86 lone 1 75 - 1 - HA ASN 49 - HB3 LEU 86 lone 1 54 - 1 - HA GLN 91 - HB3 LEU 86 lone 1 44 - 1 - HA GLN 91 - HB3 LEU 62 lone 1 62 - 1 - Peak 1492 from cnoeabs.peaks (1.72, 1.58, 41.88 ppm; 2.48 A): 1 out of 30 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 1.8=100 HB2 LEU 29 - HB3 LEU 62 OK 35 99 - 36 - 1486=6, 1488/3.1=3...(14) HB2 LEU 29 - HB3 LEU 86 OK 31 78 - 40 - 1486=6, 1488/3.1=3...(14) HB2 LEU 43 - HB3 LEU 29 OK 18 99 - 18 - 1499/3.0=2, 3.1/5214=2...(5) HB3 LEU 64 - HB3 LEU 29 OK 16 85 - 19 - 1499/3.0=2, 2631/3.1=2...(6) HB2 LEU 43 - HB3 LEU 62 OK 13 96 - 14 - 3.1/5214=2, 2015/3.1=1 HB2 ARG 84 - HB3 LEU 29 OK 12 97 - 12 - 3380=1, 1499/3.0=1 HG2 ARG 70 - HB3 LEU 29 lone 7 99 - 7 - HB3 LEU 64 - HB3 LEU 62 lone 6 81 - 7 - HB3 LYS 85 - HB3 LEU 29 lone 6 99 - 6 - HB3 LEU 64 - HB3 LEU 86 lone 4 59 - 7 - 2631/3.1=1 HB2 ARG 82 - HB3 LEU 29 lone 4 78 - 6 - HB2 LEU 43 - HB3 LEU 86 lone 4 74 - 6 - HG2 ARG 70 - HB3 LEU 86 lone 4 74 - 6 - HB3 LYS 85 - HB3 LEU 86 lone 4 76 - 5 - 4.6/861=3 HB3 LYS 83 - HB3 LEU 29 lone 4 100 - 4 - HB2 ARG 84 - HB3 LEU 62 lone 4 95 - 4 - HG3 ARG 66 - HB3 LEU 29 lone 4 81 - 5 - HG2 ARG 70 - HB3 LEU 62 lone 4 96 - 4 - HB2 ARG 84 - HB3 LEU 86 lone 3 72 - 4 - HB3 ARG 17 - HB3 LEU 86 lone 2 44 - 5 - HB3 LYS 85 - HB3 LEU 62 lone 2 97 - 2 - HG3 ARG 66 - HB3 LEU 62 lone 1 77 - 2 - HB3 ARG 17 - HB3 LEU 62 lone 1 62 - 2 - HB3 LYS 83 - HB3 LEU 86 lone 1 78 - 2 - HB2 ARG 82 - HB3 LEU 62 lone 1 75 - 1 - HB3 LYS 83 - HB3 LEU 62 lone 1 99 - 1 - HB3 ARG 17 - HB3 LEU 29 lone 1 65 - 1 - HG3 ARG 66 - HB3 LEU 86 lone 1 56 - 1 - HB2 ARG 82 - HB3 LEU 86 lone 0 54 - 1 - Peak 1493 from cnoeabs.peaks (1.58, 1.58, 41.88 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 HB3 LEU 62 + HB3 LEU 62 OK 96 96 - 100 HB3 LEU 86 + HB3 LEU 86 OK 63 63 - 100 Peak 1494 from cnoeabs.peaks (1.67, 1.58, 41.88 ppm; 2.65 A): 4 out of 33 assignments used, quality = 0.95: * HG LEU 29 + HB3 LEU 29 OK 85 100 - 85 - 3.0=71, 1499/1.8=19...(15) HG LEU 29 + HB3 LEU 62 OK 39 99 - 40 - 1500=7, 6115/3.1=3...(14) HG LEU 29 + HB3 LEU 86 OK 32 78 - 42 - 1500=7, 6115/3.1=3...(15) HB3 LEU 64 + HB3 LEU 29 OK 17 76 - 23 - 1487/1.8=4, 2631/3.1=2...(9) HB3 LEU 64 - HB3 LEU 62 poor 8 72 - 11 - HB3 GLN 61 - HB3 LEU 29 lone 8 92 - 8 - 4.6/2578=1, 1487/1.8=1, 83/4.6=1 HB3 GLN 61 - HB3 LEU 62 lone 7 89 - 8 - 249/4.0=4, 4.0/5778=2 HD3 LYS 13 - HB3 LEU 29 lone 7 98 - 7 - 1487/1.8=1 HD2 LYS 13 - HB3 LEU 29 lone 7 98 - 7 - 1487/1.8=1 HB3 LYS 13 - HB3 LEU 29 lone 6 99 - 6 - 1487/1.8=1 HB2 ARG 82 - HB3 LEU 29 lone 6 83 - 8 - 1487/1.8=1 HD2 LYS 75 - HB3 LEU 29 lone 6 97 - 6 - 1487/1.8=1 HD3 LYS 75 - HB3 LEU 29 lone 6 97 - 6 - 1487/1.8=1 HG3 ARG 66 - HB3 LEU 29 lone 5 81 - 6 - 1487/1.8=1 HB3 LEU 64 - HB3 LEU 86 lone 4 52 - 8 - 2631/3.1=1 HG2 ARG 23 - HB3 LEU 29 lone 3 100 - 3 - HG2 ARG 23 - HB3 LEU 62 lone 2 98 - 2 - HB3 LYS 13 - HB3 LEU 86 lone 2 75 - 3 - HD3 LYS 13 - HB3 LEU 62 lone 2 96 - 2 - HD2 LYS 13 - HB3 LEU 62 lone 2 96 - 2 - HG3 ARG 66 - HB3 LEU 62 lone 2 77 - 2 - HD2 LYS 75 - HB3 LEU 62 lone 2 95 - 2 - HD3 LYS 75 - HB3 LEU 62 lone 2 95 - 2 - HB3 LYS 13 - HB3 LEU 62 lone 2 97 - 2 - HB2 ARG 82 - HB3 LEU 62 lone 1 79 - 2 - HG2 ARG 23 - HB3 LEU 86 lone 1 77 - 1 - HB3 GLN 61 - HB3 LEU 86 lone 1 66 - 2 - HD2 LYS 13 - HB3 LEU 86 lone 1 73 - 1 - HD3 LYS 13 - HB3 LEU 86 lone 1 73 - 1 - HD3 LYS 75 - HB3 LEU 86 lone 1 72 - 1 - HD2 LYS 75 - HB3 LEU 86 lone 1 72 - 1 - HG3 ARG 66 - HB3 LEU 86 lone 1 56 - 1 - HB2 ARG 82 - HB3 LEU 86 lone 1 58 - 1 - Peak 1495 from cnoeabs.peaks (0.88, 1.58, 41.88 ppm; 3.01 A): 5 out of 18 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 96 100 - 96 - 3.1=91, 2.1/1500=11...(15) QD1 LEU 62 + HB3 LEU 62 OK 93 97 - 96 - 3.1=91, 2601/1.8=8...(19) QD1 LEU 86 + HB3 LEU 86 OK 71 74 - 95 - 3.1=92, 2.1/3537=6...(13) QD1 LEU 86 + HB3 LEU 29 OK 52 99 - 53 - 1488/1.8=7, 6115/3.0=5...(24) QD1 LEU 29 + HB3 LEU 62 OK 47 99 - 48 - 2577/1.8=7, 2.1/1500=5...(20) QD1 LEU 62 - HB3 LEU 29 OK 43 99 - 44 - 1488/1.8=6, 6115/3.0=4...(18) QD1 LEU 29 - HB3 LEU 86 OK 36 78 - 46 - 2.1/1500=5, 3.1/1486=3...(21) QD1 LEU 86 - HB3 LEU 62 OK 33 96 - 35 - 2577/1.8=5, 2570/3.0=3...(13) HG LEU 51 - HB3 LEU 62 OK 25 93 - 27 - 2577/1.8=3, 2598/3.1=3...(13) QD1 LEU 62 - HB3 LEU 86 OK 21 76 - 28 - 2.1/2596=2, 3.1/2575=2...(11) HG LEU 51 - HB3 LEU 29 OK 20 96 - 21 - 1488/1.8=2, 6115/3.0=2...(7) HG LEU 51 - HB3 LEU 86 OK 12 70 - 18 - ~4520=2, 2233/1.8=2...(8) QG2 VAL 90 - HB3 LEU 29 OK 12 85 - 14 - 1488/1.8=2, ~5348=2...(4) QG1 VAL 90 - HB3 LEU 29 OK 12 83 - 14 - ~5348=2, 1488/1.8=2, 3.2/4186=1 QG2 VAL 90 - HB3 LEU 62 lone 4 81 - 5 - QG1 VAL 90 - HB3 LEU 62 lone 4 79 - 5 - QG2 VAL 90 - HB3 LEU 86 lone 4 59 - 7 - QG1 VAL 90 - HB3 LEU 86 lone 4 58 - 7 - Peak 1496 from cnoeabs.peaks (0.84, 1.58, 41.88 ppm; 3.29 A): 4 out of 15 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 QD2 LEU 86 + HB3 LEU 86 OK 70 70 - 100 - 3.1=100 QD2 LEU 86 + HB3 LEU 29 OK 56 96 - 59 - 1489/1.8=7, 1503/3.0=5...(29) QD2 LEU 29 + HB3 LEU 62 OK 49 99 - 50 - 2.1/1500=6, ~2577=5...(25) QD2 LEU 29 - HB3 LEU 86 OK 42 78 - 55 - 2.1/1500=5, 3549/3.0=5...(31) QD2 LEU 64 - HB3 LEU 29 OK 38 100 - 38 - 1489/1.8=6, 1503/3.0=4...(16) QG2 ILE 89 - HB3 LEU 29 OK 34 100 - 34 - 1489/1.8=4, 3612/3.0=4...(16) QD2 LEU 86 - HB3 LEU 62 OK 33 93 - 35 - ~2577=3, ~2570=2, 1514=2...(17) QD1 LEU 43 - HB3 LEU 29 OK 32 92 - 35 - 5214=5, 1489/1.8=4...(14) QD1 LEU 43 - HB3 LEU 62 OK 29 89 - 33 - 5214=5, 2032/1.8=3...(15) QG2 ILE 89 - HB3 LEU 86 OK 24 77 - 32 - 3617/3.1=4, 4040/4.0=3...(12) QD2 LEU 64 - HB3 LEU 62 OK 18 99 - 19 - 2646/3.1=2, 2644/3.0=2, ~2576=1 QD2 LEU 64 - HB3 LEU 86 OK 13 78 - 16 - 3519/3.0=1, 5919/4.6=1 QD1 LEU 43 - HB3 LEU 86 OK 10 66 - 15 - 5214/1.8=1, 5214/3.0=1...(6) QG2 ILE 89 - HB3 LEU 62 lone 4 98 - 4 - Peak 1497 from cnoeabs.peaks (7.95, 1.67, 26.82 ppm; 3.73 A): 5 out of 6 assignments used, quality = 0.91: * H LEU 29 + HG LEU 29 OK 78 100 - 78 - 4.9=44, 546/3.0=16...(11) H ALA 63 + HG LEU 29 OK 32 68 - 48 - 3.0/5929=6, 260/2.1=5...(18) H LYS 32 + HG LEU 29 OK 19 97 - 20 - 4205/3.7=8, 1483/3.0=4...(5) H ARG 70 + HG LEU 29 OK 16 100 - 16 - 1483/3.0=4, 1511/2.1=2...(6) H VAL 76 + HG LEU 29 OK 12 99 - 12 - 5431/3.7=2, 1483/3.0=2...(5) H ASP 67 - HG LEU 29 poor 9 81 - 12 - 1483/3.0=2, 1511/2.1=1 Peak 1498 from cnoeabs.peaks (4.16, 1.67, 26.82 ppm; 3.94 A): 1 out of 10 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.7=100 HA ALA 30 - HG LEU 29 OK 42 71 - 59 - 3.0/3766=10, 4842=7...(19) HA ILE 89 - HG LEU 29 OK 27 98 - 27 - 3600/2.1=6, 3.2/1503=4...(9) HA LYS 73 - HG LEU 29 OK 25 92 - 27 - 3.0/3766=4, 1484/3.0=3...(9) HA ARG 84 - HG LEU 29 OK 19 73 - 25 - 3.0/1499=3, 1484/3.0=3...(11) HA ARG 82 - HG LEU 29 OK 14 90 - 16 - 1484/3.0=2, 3.0/1499=1...(6) HB THR 15 - HG LEU 29 lone 5 99 - 5 - HA ALA 53 - HG LEU 29 lone 4 100 - 4 - HA ASN 49 - HG LEU 29 lone 3 78 - 4 - HA GLN 91 - HG LEU 29 lone 2 65 - 3 - Peak 1499 from cnoeabs.peaks (1.72, 1.67, 26.82 ppm; 2.40 A): 3 out of 10 assignments used, quality = 0.79: * HB2 LEU 29 + HG LEU 29 OK 71 100 - 71 - 3.0=53, 1.8/1500=9...(19) HB3 LEU 64 + HG LEU 29 OK 16 85 - 19 - 2631/2.1=2, 3.1/1503=2...(5) HB2 LEU 43 + HG LEU 29 OK 14 99 - 14 - 1513/2.1=2, 3.1/1503=1...(4) HB2 ARG 84 - HG LEU 29 lone 9 97 - 9 - HG2 ARG 70 - HG LEU 29 lone 6 99 - 6 - HG3 ARG 66 - HG LEU 29 lone 4 81 - 5 - HB2 ARG 82 - HG LEU 29 lone 4 78 - 5 - HB3 LYS 85 - HG LEU 29 lone 3 99 - 3 - HB3 LYS 83 - HG LEU 29 lone 2 100 - 2 - HB3 ARG 17 - HG LEU 29 lone 1 65 - 1 - Peak 1500 from cnoeabs.peaks (1.58, 1.67, 26.82 ppm; 2.63 A): 4 out of 11 assignments used, quality = 0.95: * HB3 LEU 29 + HG LEU 29 OK 84 100 - 84 - 3.0=69, 1.8/1499=19...(15) HB3 LEU 62 + HG LEU 29 OK 38 99 - 39 - 1494=7, 3.1/6115=3...(13) HB3 LEU 86 + HG LEU 29 OK 35 89 - 40 - 1494=6, 3.1/6115=3...(15) HG LEU 62 + HG LEU 29 OK 31 93 - 33 - 2.1/6115=4, 3.0/1494=3...(10) HG LEU 86 - HG LEU 29 OK 29 87 - 34 - 2.1/6115=4, 2.1/1503=4...(12) HB3 LEU 51 - HG LEU 29 OK 11 85 - 13 - 2227/2.1=2, 3.0/6115=1, ~4839=1 HG3 ARG 84 - HG LEU 29 OK 11 95 - 12 - 3.0/1499=2 HG2 ARG 84 - HG LEU 29 OK 11 95 - 12 - 3.0/1499=2 HD3 LYS 39 - HG LEU 29 lone 5 100 - 5 - HD2 LYS 39 - HG LEU 29 lone 5 100 - 5 - HG3 ARG 54 - HG LEU 29 lone 2 100 - 2 - Peak 1501 from cnoeabs.peaks (1.67, 1.67, 26.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 Peak 1503 from cnoeabs.peaks (0.84, 1.67, 26.82 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 QD2 LEU 86 + HG LEU 29 OK 56 96 - 59 - 1515=8, 1489/3.0=5...(30) QD2 LEU 64 - HG LEU 29 OK 43 100 - 44 - 1489/3.0=4, 3.1/1499=4...(21) QG2 ILE 89 - HG LEU 29 OK 29 100 - 29 - ~4840=4, 3612/3.7=3...(13) QD1 LEU 43 - HG LEU 29 OK 28 92 - 31 - 1489/3.0=3, 3.1/1499=3...(17) Peak 1504 from cnoeabs.peaks (7.95, 0.88, 24.48 ppm; 4.01 A): 3 out of 18 assignments used, quality = 0.96: * H LEU 29 + QD1 LEU 29 OK 86 100 - 86 - 4.8=59, 548/2.1=20...(10) H LEU 29 + QD1 LEU 86 OK 48 98 - 49 - 549=10, 550/2.1=7...(14) H LEU 29 + QD1 LEU 62 OK 46 99 - 46 - 549=10, 4.0/1488=6...(15) H ALA 63 - QD1 LEU 29 OK 40 68 - 59 - 1497/2.1=7, 260=7...(20) H ALA 63 - QD1 LEU 62 OK 39 66 - 59 - 3.6/2570=12, 254/4.8=11...(15) H LYS 32 - QD1 LEU 29 OK 24 97 - 25 - 4205/4.0=8, 1497/2.1=4...(6) H ARG 70 - QD1 LEU 29 OK 24 100 - 23 - 1483/3.1=4, 1497/2.1=4...(9) H ALA 63 - QD1 LEU 86 OK 18 63 - 28 - 3.6/2570=5, 4.6/2577=4...(11) H ARG 70 - QD1 LEU 86 OK 17 98 - 17 - 5826/4.9=3, 5831/2.1=2...(4) H ARG 70 - QD1 LEU 62 OK 17 99 - 17 - 5830/2.1=3, 3.6/5960=2...(4) H VAL 76 - QD1 LEU 29 OK 15 99 - 15 - 1497/2.1=3, 5431/4.0=2...(6) H VAL 76 - QD1 LEU 62 lone 10 97 - 10 - 815/2.1=2 H ASP 67 - QD1 LEU 29 poor 8 81 - 10 - 1497/2.1=2, 1483/3.1=2 H LYS 32 - QD1 LEU 62 lone 8 95 - 8 - H LYS 32 - QD1 LEU 86 lone 7 92 - 8 - 1511/2.1=1 H ASP 67 - QD1 LEU 62 lone 5 78 - 6 - 4741/2.1=1 H VAL 76 - QD1 LEU 86 lone 5 95 - 5 - H ASP 67 - QD1 LEU 86 lone 4 76 - 6 - 938/4.9=2 Peak 1505 from cnoeabs.peaks (4.16, 0.88, 24.48 ppm; 3.56 A): 3 out of 30 assignments used, quality = 0.98: * HA LEU 29 + QD1 LEU 29 OK 92 100 - 92 - 4.0=72, 1512/2.1=10...(23) HA LEU 29 + QD1 LEU 86 OK 53 98 - 54 - 1481=8, 3.0/1488=7...(24) HA LEU 29 + QD1 LEU 62 OK 47 99 - 47 - 1481=7, 3.0/1488=6...(21) HA ALA 30 - QD1 LEU 29 OK 35 71 - 50 - 3.0/84=7, 1498/2.1=5...(18) HA ILE 89 - QD1 LEU 29 OK 23 98 - 24 - 3600/2.1=5, 1498/2.1=3...(11) HA LYS 73 - QD1 LEU 29 OK 22 92 - 25 - 1481=3, 1498/2.1=3...(10) HA ILE 89 - QD1 LEU 86 OK 21 94 - 22 - 3600/2.1=4, 4038/4.8=3...(9) HA ARG 84 - QD1 LEU 29 OK 15 73 - 20 - 1498/2.1=2, 1484/3.1=2...(8) HA LYS 73 - QD1 LEU 62 OK 14 90 - 15 - 1481=2, ~5263=1, ~3910=1 HA ALA 30 - QD1 LEU 62 OK 13 69 - 19 - 3.0/84=5, ~4843=2...(7) HA LYS 73 - QD1 LEU 86 poor 10 87 - 11 - 1481=1 HA ARG 82 - QD1 LEU 29 poor 10 90 - 10 - 1498/2.1=2, 1484/3.1=2 HA ALA 30 - QD1 LEU 86 poor 9 66 - 13 - 3.0/84=3, ~85=2, ~3768=1...(6) HA ALA 53 - QD1 LEU 62 lone 5 99 - 6 - 4.8/5365=1 HA ARG 84 - QD1 LEU 86 lone 5 68 - 7 - HA ARG 84 - QD1 LEU 62 lone 5 71 - 6 - HA ALA 53 - QD1 LEU 29 lone 4 100 - 4 - HB THR 15 - QD1 LEU 29 lone 4 99 - 4 - HA ASN 49 - QD1 LEU 62 lone 4 76 - 5 - 4485/5006=1 HA ASN 49 - QD1 LEU 29 lone 3 78 - 4 - HA ALA 53 - QD1 LEU 86 lone 3 97 - 3 - HA ILE 89 - QD1 LEU 62 lone 3 96 - 3 - HA ARG 82 - QD1 LEU 62 lone 2 88 - 2 - HA ARG 82 - QD1 LEU 86 lone 2 85 - 2 - HA ASN 49 - QD1 LEU 86 lone 2 73 - 3 - HB THR 15 - QD1 LEU 62 lone 2 98 - 2 - HB THR 15 - QD1 LEU 86 lone 1 96 - 1 - HA GLN 91 - QD1 LEU 29 lone 1 65 - 2 - HA GLN 91 - QD1 LEU 86 lone 1 61 - 1 - HA GLN 91 - QD1 LEU 62 lone 1 63 - 1 - Peak 1506 from cnoeabs.peaks (1.72, 0.88, 24.48 ppm; 2.99 A): 3 out of 30 assignments used, quality = 0.99: * HB2 LEU 29 + QD1 LEU 29 OK 95 100 - 95 - 3.1=89, 1499/2.1=21...(15) HB2 LEU 29 + QD1 LEU 86 OK 53 98 - 54 - 1488=8, 1489/2.1=5...(26) HB2 LEU 29 + QD1 LEU 62 OK 46 99 - 47 - 1488=7, 3.0/6115=4...(20) HB3 LEU 64 - QD1 LEU 29 OK 25 85 - 29 - 1499/2.1=5, 2631/2.1=4...(13) HB2 LEU 43 - QD1 LEU 29 OK 24 99 - 24 - 1499/2.1=4, 2014/2.1=3...(7) HB2 LEU 43 - QD1 LEU 62 OK 19 97 - 20 - 2015/2.1=2, ~2022=2...(5) HB2 ARG 84 - QD1 LEU 29 OK 15 97 - 16 - 1499/2.1=3, 1513/2.1=2...(4) HB3 LEU 64 - QD1 LEU 62 OK 13 83 - 16 - 2632/2.1=2, 2630/2.1=1...(4) HB3 LEU 64 - QD1 LEU 86 OK 12 80 - 15 - 2631/2.1=2, ~2624=1, 2630/3.1=1 HG2 ARG 70 - QD1 LEU 29 OK 12 99 - 12 - 1499/2.1=2 HG2 ARG 70 - QD1 LEU 86 lone 9 95 - 10 - 2869/2.1=1 HB2 LEU 43 - QD1 LEU 86 lone 9 95 - 9 - 2014/2.1=1 HB3 LYS 85 - QD1 LEU 86 lone 8 96 - 8 - 387/4.8=3 HB3 LYS 85 - QD1 LEU 29 lone 7 99 - 7 - 1499/2.1=1 HG2 ARG 70 - QD1 LEU 62 lone 7 97 - 7 - HG3 ARG 66 - QD1 LEU 29 lone 6 81 - 8 - 1499/2.1=1 HB2 ARG 84 - QD1 LEU 86 lone 6 93 - 6 - HB2 ARG 82 - QD1 LEU 29 lone 6 78 - 7 - 1499/2.1=1 HB2 ARG 84 - QD1 LEU 62 lone 5 96 - 5 - HB3 LYS 83 - QD1 LEU 29 lone 4 100 - 4 - HB3 ARG 17 - QD1 LEU 86 lone 4 61 - 7 - HG3 ARG 66 - QD1 LEU 62 lone 3 78 - 4 - HB3 LYS 83 - QD1 LEU 86 lone 3 98 - 3 - HB3 LYS 85 - QD1 LEU 62 lone 2 98 - 2 - HG3 ARG 66 - QD1 LEU 86 lone 2 76 - 3 - HB3 ARG 17 - QD1 LEU 62 lone 2 63 - 3 - HB3 ARG 17 - QD1 LEU 29 lone 1 65 - 2 - HB2 ARG 82 - QD1 LEU 62 lone 1 76 - 2 - HB3 LYS 83 - QD1 LEU 62 lone 1 99 - 1 - HB2 ARG 82 - QD1 LEU 86 lone 1 73 - 2 - Peak 1507 from cnoeabs.peaks (1.58, 0.88, 24.48 ppm; 2.76 A): 6 out of 33 assignments used, quality = 1.00: HG LEU 62 + QD1 LEU 62 OK 91 91 - 100 - 2.1=100 * HB3 LEU 29 + QD1 LEU 29 OK 84 100 - 84 - 3.1=70, 1500/2.1=10...(15) HG LEU 86 + QD1 LEU 86 OK 82 82 - 100 - 2.1=100 HB3 LEU 62 + QD1 LEU 62 OK 80 97 - 83 - 3.1=70, 1.8/2601=7...(16) HB3 LEU 86 + QD1 LEU 86 OK 67 84 - 80 - 3.1=71, 3529/2.1=5...(10) HB3 LEU 29 + QD1 LEU 86 OK 45 98 - 47 - 1.8/1488=6, 3.0/6115=4...(20) HB3 LEU 62 - QD1 LEU 29 OK 41 99 - 42 - 1.8/2577=6, 1500/2.1=4...(14) HB3 LEU 86 - QD1 LEU 29 OK 37 89 - 43 - 1500/2.1=4, 1.8/3525=4...(18) HG LEU 62 - QD1 LEU 29 OK 37 93 - 40 - 2.1/2598=5, 3.0/2577=4...(15) HB3 LEU 29 - QD1 LEU 62 OK 36 99 - 37 - 1.8/1488=5, 3.0/6115=4...(15) HG LEU 86 - QD1 LEU 29 OK 36 87 - 41 - 1500/2.1=3, 2.1/3553=3...(22) HB3 LEU 62 - QD1 LEU 86 OK 27 95 - 29 - 1.8/2577=4, 3.1/2598=3...(10) HG LEU 62 - QD1 LEU 86 OK 24 89 - 27 - 2.1/2598=4, 3.0/2577=3...(10) HG3 ARG 54 - QD1 LEU 62 OK 21 99 - 21 - ~5004=2, 2591=2...(9) HB3 LEU 86 - QD1 LEU 62 OK 21 86 - 24 - 1.8/3525=2, 2575/3.1=2...(9) HB3 LEU 51 - QD1 LEU 62 OK 20 83 - 24 - 2227=3, ~5004=2...(10) HG LEU 86 - QD1 LEU 62 OK 20 85 - 23 - ~2598=2, 3.0/3525=2...(11) HB3 LEU 51 - QD1 LEU 86 OK 17 80 - 22 - 2227=3, 3.1/2248=2...(8) HB3 LEU 51 - QD1 LEU 29 OK 16 85 - 19 - 2227=2, 3.1/2248=2...(8) HG2 ARG 84 - QD1 LEU 29 OK 12 95 - 12 - 1500/2.1=1, 1486/3.1=1 HG3 ARG 84 - QD1 LEU 29 OK 12 95 - 12 - 1500/2.1=1, 1486/3.1=1 HD3 LYS 39 - QD1 LEU 86 OK 11 97 - 12 - ~5206=1 HD2 LYS 39 - QD1 LEU 86 OK 11 97 - 12 - ~5206=1 HD3 LYS 39 - QD1 LEU 62 lone 7 99 - 7 - HD2 LYS 39 - QD1 LEU 62 lone 7 99 - 7 - HD3 LYS 39 - QD1 LEU 29 lone 6 100 - 6 - HD2 LYS 39 - QD1 LEU 29 lone 6 100 - 6 - HG3 ARG 54 - QD1 LEU 86 lone 5 97 - 6 - HG3 ARG 84 - QD1 LEU 62 lone 5 93 - 5 - HG2 ARG 84 - QD1 LEU 62 lone 5 93 - 5 - HG2 ARG 84 - QD1 LEU 86 lone 4 90 - 5 - HG3 ARG 84 - QD1 LEU 86 lone 4 90 - 5 - HG3 ARG 54 - QD1 LEU 29 lone 4 100 - 4 - Peak 1508 from cnoeabs.peaks (1.67, 0.88, 24.48 ppm; 3.06 A): 3 out of 33 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 HG LEU 29 + QD1 LEU 86 OK 51 98 - 53 - 6115=8, 1503/2.1=6...(23) HG LEU 29 + QD1 LEU 62 OK 48 99 - 48 - 6115=8, 3.0/1488=4...(18) HB3 LEU 64 - QD1 LEU 29 OK 22 76 - 29 - 2631/2.1=3, 1487/3.1=3...(14) HB3 LEU 64 - QD1 LEU 62 OK 12 74 - 17 - 2632/2.1=2, ~2625=1...(4) HB3 LEU 64 - QD1 LEU 86 OK 10 71 - 14 - 2631/2.1=2, ~2624=1 HB3 GLN 61 - QD1 LEU 29 poor 10 92 - 11 - 4.6/723=3, ~2535=1 HD2 LYS 13 - QD1 LEU 29 lone 9 98 - 9 - 1487/3.1=1, 1515/2.1=1 HD3 LYS 13 - QD1 LEU 29 lone 9 98 - 9 - 1487/3.1=1, 1515/2.1=1 HB3 LYS 13 - QD1 LEU 29 lone 8 99 - 8 - 1487/3.1=1, 1515/2.1=1 HB3 GLN 61 - QD1 LEU 62 lone 8 90 - 9 - 249/4.8=5 HD2 LYS 75 - QD1 LEU 29 lone 7 97 - 7 - HD3 LYS 75 - QD1 LEU 29 lone 7 97 - 7 - HG3 ARG 66 - QD1 LEU 29 lone 7 81 - 8 - HB2 ARG 82 - QD1 LEU 29 lone 7 83 - 8 - 1487/3.1=1 HG2 ARG 23 - QD1 LEU 29 lone 4 100 - 4 - HB3 LYS 13 - QD1 LEU 86 lone 4 96 - 4 - 1009/4.8=1 HG3 ARG 66 - QD1 LEU 62 lone 4 78 - 5 - HB3 LYS 13 - QD1 LEU 62 lone 3 98 - 3 - HG2 ARG 23 - QD1 LEU 62 lone 3 99 - 3 - HB3 GLN 61 - QD1 LEU 86 lone 3 87 - 3 - 4.6/723=2 HD3 LYS 13 - QD1 LEU 62 lone 3 96 - 3 - HD2 LYS 13 - QD1 LEU 62 lone 3 96 - 3 - HD2 LYS 75 - QD1 LEU 86 lone 3 93 - 3 - HD3 LYS 75 - QD1 LEU 86 lone 3 93 - 3 - HD2 LYS 13 - QD1 LEU 86 lone 2 94 - 2 - HD3 LYS 13 - QD1 LEU 86 lone 2 94 - 2 - HD3 LYS 75 - QD1 LEU 62 lone 2 96 - 2 - HD2 LYS 75 - QD1 LEU 62 lone 2 96 - 2 - HG3 ARG 66 - QD1 LEU 86 lone 2 76 - 3 - HG2 ARG 23 - QD1 LEU 86 lone 2 97 - 2 - HB2 ARG 82 - QD1 LEU 62 lone 2 80 - 2 - HB2 ARG 82 - QD1 LEU 86 lone 1 78 - 2 - Peak 1509 from cnoeabs.peaks (0.88, 0.88, 24.48 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 QD1 LEU 62 + QD1 LEU 62 OK 98 98 - 100 QD1 LEU 86 + QD1 LEU 86 OK 95 95 - 100 Peak 1510 from cnoeabs.peaks (0.84, 0.88, 24.48 ppm; 2.40 A): 2 out of 15 assignments used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 QD2 LEU 86 + QD1 LEU 86 OK 91 91 - 100 - 2.1=100 QD2 LEU 29 - QD1 LEU 86 OK 33 98 - 34 - 1516=5, 2.1/6115=3...(13) QD2 LEU 86 - QD1 LEU 29 OK 31 96 - 32 - 3553=4, 1503/2.1=3...(12) QD2 LEU 29 - QD1 LEU 62 OK 25 99 - 26 - 1516=4, 2.1/6115=3...(11) QD2 LEU 64 - QD1 LEU 29 OK 18 100 - 18 - 1503/2.1=3, 1489/3.1=2...(4) QG2 ILE 89 - QD1 LEU 86 OK 16 97 - 17 - 3617/2.1=3, 4040/4.8=1...(4) QD2 LEU 86 - QD1 LEU 62 OK 15 94 - 16 - 3553=2, 3.1/3525=1, 3551/2.1=1 QG2 ILE 89 - QD1 LEU 29 OK 14 100 - 14 - 1503/2.1=2, ~4840=2...(5) QD1 LEU 43 - QD1 LEU 29 OK 13 92 - 14 - 1503/2.1=2, 1489/3.1=2 QD1 LEU 43 - QD1 LEU 62 OK 13 90 - 14 - 2036/2.1=2, 5214/3.1=2 QD2 LEU 64 - QD1 LEU 62 lone 10 99 - 10 - 2646/2.1=1 QD2 LEU 64 - QD1 LEU 86 lone 8 98 - 8 - QD1 LEU 43 - QD1 LEU 86 lone 6 87 - 7 - QG2 ILE 89 - QD1 LEU 62 lone 1 99 - 1 - Peak 1511 from cnoeabs.peaks (7.95, 0.84, 23.57 ppm; 4.46 A): 2 out of 12 assignments used, quality = 0.98: * H LEU 29 + QD2 LEU 29 OK 96 100 - 96 - 4.8=81, 548/2.1=22...(14) H LEU 29 + QD2 LEU 86 OK 51 87 - 59 - 550=9, 549/2.1=9...(17) H LYS 32 - QD2 LEU 29 OK 41 97 - 43 - 4205/4.0=10, 1497/2.1=5...(12) H ALA 63 - QD2 LEU 29 OK 41 68 - 60 - 1497/2.1=8, 2.9/4681=8...(17) H ARG 70 - QD2 LEU 29 OK 25 100 - 25 - 1483/3.1=5, 1497/2.1=4...(8) H VAL 76 - QD2 LEU 29 OK 19 99 - 19 - 1497/2.1=3, 5431/4.0=3...(6) H ARG 70 - QD2 LEU 86 OK 18 87 - 20 - 5826/4.9=4, 5831=2...(5) H LYS 32 - QD2 LEU 86 OK 15 81 - 18 - 4.6/4192=2, 4.7/6121=2...(6) H ASP 67 - QD2 LEU 29 OK 13 81 - 17 - 1497/2.1=2, 1483/3.1=2 H ALA 63 - QD2 LEU 86 OK 13 53 - 24 - 260/2.1=4, 2.9/4681=3...(7) H ASP 67 - QD2 LEU 86 lone 6 64 - 10 - 938/4.9=2 H VAL 76 - QD2 LEU 86 lone 6 84 - 7 - Peak 1512 from cnoeabs.peaks (4.16, 0.84, 23.57 ppm; 3.45 A): 2 out of 20 assignments used, quality = 0.95: * HA LEU 29 + QD2 LEU 29 OK 90 100 - 90 - 4.0=66, 1481/2.1=10...(29) HA LEU 29 + QD2 LEU 86 OK 47 87 - 54 - 1482=7, 3.0/1489=6...(23) HA ALA 30 - QD2 LEU 29 OK 36 71 - 51 - 3.0/85=6, 2.1/5536=5...(21) HA ILE 89 - QD2 LEU 29 OK 34 98 - 35 - 3600=6, 4.0/4840=5...(14) HA ILE 89 - QD2 LEU 86 OK 25 83 - 30 - 3600=5, 4.0/4840=4...(11) HA LYS 73 - QD2 LEU 29 OK 21 92 - 23 - 1498/2.1=3, 1482=3...(9) HA ARG 84 - QD2 LEU 29 OK 15 73 - 20 - 1498/2.1=2, 1484/3.1=2...(9) HA ARG 82 - QD2 LEU 29 poor 9 90 - 10 - 1498/2.1=2, 1484/3.1=2 HA ALA 30 - QD2 LEU 86 poor 8 55 - 14 - 3.0/85=3, ~84=2...(6) HA LYS 73 - QD2 LEU 86 poor 8 75 - 10 - 1482=1 HB THR 15 - QD2 LEU 29 lone 4 99 - 4 - HA ARG 84 - QD2 LEU 86 lone 4 58 - 7 - HA ALA 53 - QD2 LEU 29 lone 4 100 - 4 - HA ASN 49 - QD2 LEU 29 lone 3 78 - 4 - HA ALA 53 - QD2 LEU 86 lone 2 87 - 2 - HA ARG 82 - QD2 LEU 86 lone 2 74 - 2 - HA GLN 91 - QD2 LEU 29 lone 1 65 - 2 - HB THR 15 - QD2 LEU 86 lone 1 85 - 1 - HA ASN 49 - QD2 LEU 86 lone 1 62 - 2 - HA GLN 91 - QD2 LEU 86 lone 1 51 - 1 - Peak 1513 from cnoeabs.peaks (1.72, 0.84, 23.57 ppm; 3.37 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 3.1=100 HB2 LEU 29 + QD2 LEU 86 OK 56 87 - 64 - 1489=10, 1488/2.1=8...(36) HB3 LEU 64 - QD2 LEU 29 OK 39 85 - 46 - 2631=6, 1.8/2624=6...(19) HB2 LEU 43 - QD2 LEU 29 OK 37 99 - 37 - 1499/2.1=5, 2014=4...(17) HB2 ARG 84 - QD2 LEU 29 OK 21 97 - 22 - 1499/2.1=3, 546/4.8=1...(6) HB3 LEU 64 - QD2 LEU 86 OK 17 68 - 25 - 2631=3, 1.8/2624=3...(9) HB2 LEU 43 - QD2 LEU 86 OK 14 84 - 17 - 2014=2, 1.8/2021=2, 3.1/2042=1 HG2 ARG 70 - QD2 LEU 29 OK 12 99 - 13 - 1499/2.1=2, 2864/4.8=1 HB3 LYS 85 - QD2 LEU 29 OK 10 99 - 10 - 4.6/5916=2, 1499/2.1=1 HG2 ARG 70 - QD2 LEU 86 poor 9 84 - 11 - 2869/2.1=1, 2869/3.1=1 HB3 LYS 85 - QD2 LEU 86 poor 9 85 - 10 - 387/4.8=4 HG3 ARG 66 - QD2 LEU 29 poor 9 81 - 11 - 1499/2.1=1 HB2 ARG 82 - QD2 LEU 29 lone 8 78 - 10 - 1499/2.1=1, 3235/4.0=1 HB2 ARG 84 - QD2 LEU 86 lone 7 82 - 9 - 387/4.8=1 HB3 LYS 83 - QD2 LEU 29 lone 7 100 - 6 - HB3 ARG 17 - QD2 LEU 86 lone 5 51 - 9 - HB3 LYS 83 - QD2 LEU 86 lone 3 87 - 4 - 5995/4.8=1 HG3 ARG 66 - QD2 LEU 86 lone 3 64 - 4 - HB3 ARG 17 - QD2 LEU 29 lone 2 65 - 3 - HB2 ARG 82 - QD2 LEU 86 lone 2 62 - 2 - Peak 1514 from cnoeabs.peaks (1.58, 0.84, 23.57 ppm; 3.46 A): 8 out of 22 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 3.1=100 HB3 LEU 86 + QD2 LEU 86 OK 72 72 - 100 - 3.1=100 HG LEU 86 + QD2 LEU 86 OK 70 70 - 100 - 2.1=100 HB3 LEU 29 + QD2 LEU 86 OK 56 87 - 64 - 1.8/1489=8, 3.0/1503=6...(36) HB3 LEU 86 + QD2 LEU 29 OK 55 89 - 62 - 1500/2.1=6, 3.0/3519=6...(37) HB3 LEU 62 + QD2 LEU 29 OK 55 99 - 56 - 1500/2.1=6, ~2577=5...(27) HG LEU 86 + QD2 LEU 29 OK 52 87 - 60 - 1500/2.1=5, 2.1/1516=4...(32) HG LEU 62 + QD2 LEU 29 OK 48 93 - 51 - 1500/2.1=5, 2591/2.1=4...(26) HB3 LEU 62 - QD2 LEU 86 OK 34 84 - 40 - ~2577=4, 1496=3, ~2570=2...(17) HG LEU 62 - QD2 LEU 86 OK 27 77 - 35 - 2591/2.1=3, ~2598=3...(17) HB3 LEU 51 - QD2 LEU 29 OK 23 85 - 27 - 1.8/4839=3, 3.1/4520=3...(12) HG2 ARG 84 - QD2 LEU 29 OK 21 95 - 22 - 1500/2.1=2, 3.0/1513=2...(5) HG3 ARG 84 - QD2 LEU 29 OK 21 95 - 22 - 1500/2.1=2, 3.0/1513=2...(5) HB3 LEU 51 - QD2 LEU 86 OK 21 68 - 30 - 3.1/4520=4, 2227/2.1=4...(11) HD3 LYS 39 - QD2 LEU 86 OK 19 87 - 22 - 3.0/5206=3, 3.5/5111=2...(6) HD2 LYS 39 - QD2 LEU 86 OK 19 87 - 22 - 3.0/5206=3, 3.5/5111=2...(6) HD3 LYS 39 - QD2 LEU 29 OK 12 100 - 11 - 3.0/5206=1 HD2 LYS 39 - QD2 LEU 29 OK 12 100 - 11 - 3.0/5206=1 HG2 ARG 84 - QD2 LEU 86 lone 7 78 - 9 - HG3 ARG 84 - QD2 LEU 86 lone 7 78 - 9 - HG3 ARG 54 - QD2 LEU 86 lone 6 86 - 7 - HG3 ARG 54 - QD2 LEU 29 lone 4 100 - 4 - Peak 1515 from cnoeabs.peaks (1.67, 0.84, 23.57 ppm; 3.26 A): 2 out of 22 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 HG LEU 29 + QD2 LEU 86 OK 50 87 - 58 - 1503=10, 6115/2.1=7...(28) HB3 LEU 64 - QD2 LEU 29 OK 32 76 - 42 - 1.8/2624=5, 2631=5...(19) HB3 LEU 64 - QD2 LEU 86 OK 14 60 - 22 - 1.8/2624=3, 2631=3...(8) HD3 LYS 13 - QD2 LEU 29 OK 11 98 - 11 - 1487/3.1=1 HD2 LYS 13 - QD2 LEU 29 OK 11 98 - 11 - 1487/3.1=1 HB3 LYS 13 - QD2 LEU 29 OK 11 99 - 11 - 1487/3.1=1 HB3 GLN 61 - QD2 LEU 29 OK 11 92 - 12 - 3.0/4504=1, ~2535=1, 1487/3.1=1 HD2 LYS 75 - QD2 LEU 29 lone 9 97 - 9 - 1487/3.1=1 HD3 LYS 75 - QD2 LEU 29 lone 9 97 - 9 - 1487/3.1=1 HB2 ARG 82 - QD2 LEU 29 lone 8 83 - 10 - 1487/3.1=1, 3235/4.0=1 HG3 ARG 66 - QD2 LEU 29 poor 8 81 - 10 - 1487/3.1=1 HG2 ARG 23 - QD2 LEU 29 lone 5 100 - 5 - HB3 LYS 13 - QD2 LEU 86 lone 4 85 - 5 - 1009/4.8=1 HD3 LYS 13 - QD2 LEU 86 lone 3 83 - 3 - HD2 LYS 13 - QD2 LEU 86 lone 3 83 - 3 - HD3 LYS 75 - QD2 LEU 86 lone 3 82 - 3 - HD2 LYS 75 - QD2 LEU 86 lone 3 82 - 3 - HG2 ARG 23 - QD2 LEU 86 lone 3 86 - 3 - HG3 ARG 66 - QD2 LEU 86 lone 2 64 - 4 - HB3 GLN 61 - QD2 LEU 86 lone 2 75 - 3 - HB2 ARG 82 - QD2 LEU 86 lone 2 66 - 2 - Peak 1516 from cnoeabs.peaks (0.88, 0.84, 23.57 ppm; 2.40 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 QD1 LEU 86 + QD2 LEU 86 OK 84 84 - 100 - 2.1=100 QD1 LEU 86 - QD2 LEU 29 OK 32 99 - 33 - 1510=4, 6115/2.1=3...(13) QD1 LEU 29 - QD2 LEU 86 OK 27 87 - 32 - 1510=4, 2.1/1503=3...(12) QD1 LEU 62 - QD2 LEU 29 OK 26 99 - 27 - 6115/2.1=3, 1510=3...(12) QD1 LEU 62 - QD2 LEU 86 OK 14 85 - 17 - 1510=2, ~2598=1, 3525/3.1=1 HG LEU 51 - QD2 LEU 29 OK 11 96 - 12 - 2.1/4520=2, 6115/2.1=1...(4) HG LEU 51 - QD2 LEU 86 OK 10 80 - 13 - 2.1/4520=2, ~2248=1, ~2241=1 QG2 VAL 90 - QD2 LEU 29 lone 6 85 - 7 - QG1 VAL 90 - QD2 LEU 29 lone 6 83 - 7 - QG2 VAL 90 - QD2 LEU 86 lone 3 68 - 4 - 4.0/414=1 QG1 VAL 90 - QD2 LEU 86 lone 3 66 - 4 - 4.0/414=1 Peak 1517 from cnoeabs.peaks (0.84, 0.84, 23.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 QD2 LEU 86 + QD2 LEU 86 OK 80 80 - 100 Peak 1518 from cnoeabs.peaks (7.98, 4.13, 53.99 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 30 + HA ALA 30 OK 100 100 - 100 - 3.0=100 H ALA 63 - HA ALA 30 OK 14 100 - 14 - 1521/2.1=4, 86/3.6=3...(5) H GLY 72 - HA ALA 30 lone 8 99 - 8 - 1521/2.1=3, 86/3.6=2 H LYS 73 - HA ALA 30 lone 6 93 - 6 - 1521/2.1=2, 86/3.6=1 H ARG 69 - HA ALA 30 lone 5 100 - 5 - 86/3.6=2, 1521/2.1=1 H VAL 76 - HA ALA 30 lone 5 76 - 6 - 86/3.6=2, 1521/2.1=1, 79/3.0=1 Peak 1519 from cnoeabs.peaks (4.13, 4.13, 53.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 30 + HA ALA 30 OK 100 100 - 100 Peak 1520 from cnoeabs.peaks (1.45, 4.13, 53.99 ppm; 2.80 A): 1 out of 9 assignments used, quality = 1.00: * QB ALA 30 + HA ALA 30 OK 100 100 - 100 - 2.1=100 HB3 LEU 43 - HA ALA 30 OK 12 99 - 12 - 553/3.0=2, 88/3.6=2...(4) HG13 ILE 89 - HA ALA 30 lone 9 99 - 9 - 553/3.0=1, 88/3.6=1, 3.2/4188=1 HG3 LYS 13 - HA ALA 30 lone 8 97 - 8 - 553/3.0=1 HB3 LEU 52 - HA ALA 30 poor 8 63 - 12 - ~5535=1, 1.8/4543=1...(7) HG12 ILE 33 - HA ALA 30 lone 7 100 - 7 - 88/3.6=2, 4.5/5179=1 HG2 LYS 13 - HA ALA 30 lone 6 78 - 8 - HB3 LEU 57 - HA ALA 30 lone 4 76 - 5 - 88/3.6=1 HG3 LYS 85 - HA ALA 30 lone 3 99 - 3 - Peak 1521 from cnoeabs.peaks (7.98, 1.45, 18.15 ppm; 3.18 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 30 + QB ALA 30 OK 100 100 - 100 - 2.9=100 H ALA 63 - QB ALA 30 OK 14 100 - 14 - 1518/2.1=3, 86/3.6=3...(5) H GLY 72 - QB ALA 30 OK 11 99 - 11 - 3.6/5388=3, 1518/2.1=2, 86/3.6=1 H LYS 73 - QB ALA 30 lone 6 93 - 7 - 1518/2.1=1, 786/4.5=1, 86/3.6=1 H ARG 69 - QB ALA 30 lone 6 100 - 5 - 86/3.6=1, 1518/2.1=1 H VAL 76 - QB ALA 30 lone 5 76 - 7 - 86/3.6=1, 79/2.9=1 Peak 1522 from cnoeabs.peaks (4.13, 1.45, 18.15 ppm; 2.81 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 30 + QB ALA 30 OK 100 100 - 100 - 2.1=100 HA LEU 29 - QB ALA 30 OK 35 71 - 50 - 4.5=24, 3.6/553=10...(15) HA ARG 27 - QB ALA 30 OK 20 83 - 24 - 4807=9, 5386/2.9=3...(7) HA ASN 49 - QB ALA 30 lone 8 100 - 8 - 3848/3.6=2, 4483=1, 3.6/3770=1 HA ARG 23 - QB ALA 30 lone 6 98 - 6 - 4807=2 HB THR 88 - QB ALA 30 lone 3 90 - 3 - 4.4/5539=2 HA GLN 91 - QB ALA 30 lone 2 100 - 2 - HA ALA 53 - QB ALA 30 lone 2 63 - 2 - Peak 1523 from cnoeabs.peaks (1.45, 1.45, 18.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 30 + QB ALA 30 OK 100 100 - 100 Peak 1524 from cnoeabs.peaks (7.71, 4.42, 55.00 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * H MET 31 + HA MET 31 OK 100 100 - 100 - 3.0=100 H GLN 61 - HA MET 31 OK 33 71 - 47 - 4.0/1529=9, 711/4.2=6...(16) H GLU 50 - HA MET 31 OK 23 83 - 28 - 4506=4, 1530/3.0=3...(13) H ASN 42 - HA MET 31 OK 17 97 - 17 - 146/3.0=4, 4.4/1526=2...(7) H TYR 55 - HA MET 31 OK 16 89 - 18 - 89/3.6=3, 1530/3.0=3...(8) Peak 1525 from cnoeabs.peaks (4.42, 4.42, 55.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 31 + HA MET 31 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (1.94, 4.42, 55.00 ppm; 3.68 A): 1 out of 9 assignments used, quality = 1.00: * HB2 MET 31 + HA MET 31 OK 100 100 - 100 - 3.0=100 HG LEU 57 - HA MET 31 OK 38 85 - 45 - ~6120=6, 1538/3.0=6...(16) HB VAL 41 - HA MET 31 OK 25 99 - 25 - 3821/3.0=6, ~3823=3...(11) HB3 ARG 66 - HA MET 31 OK 21 99 - 21 - 91/3.6=3, 2.8/5189=3...(7) HB2 ARG 70 - HA MET 31 poor 9 85 - 11 - 91/3.6=2, 4.1/3771=1, 556/3.0=1 HB3 ARG 70 - HA MET 31 poor 9 85 - 11 - 91/3.6=2, 4.1/3771=1, 556/3.0=1 HG13 ILE 68 - HA MET 31 lone 9 96 - 9 - 556/3.0=2, 5817/3.6=1 HB3 GLU 87 - HA MET 31 lone 1 63 - 2 - HB2 GLU 19 - HA MET 31 lone 1 68 - 2 - Peak 1527 from cnoeabs.peaks (2.07, 4.42, 55.00 ppm; 3.39 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 31 + HA MET 31 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HA MET 31 OK 15 83 - 18 - 1533/3.0=2, 1537=2...(5) HB3 GLU 50 - HA MET 31 OK 13 57 - 22 - 1.8/4510=2, 3.9/1524=2...(11) HB2 GLU 50 - HA MET 31 OK 13 57 - 22 - 1.8/4510=2, 3.9/1524=2...(11) HG2 PRO 44 - HA MET 31 OK 12 76 - 16 - 1533/3.0=2, 2.3/1537=2...(6) HB VAL 76 - HA MET 31 OK 10 68 - 15 - 1537=2, 4.4/6117=2...(7) HB2 GLU 59 - HA MET 31 poor 9 81 - 11 - 4.0/233=3, 3.0/4991=2, 557/3.0=1 HB3 GLU 59 - HA MET 31 poor 9 81 - 11 - 4.0/233=3, 3.0/4991=2, 557/3.0=1 HB3 GLU 25 - HA MET 31 lone 8 90 - 8 - HB2 GLU 25 - HA MET 31 lone 7 89 - 8 - HB VAL 45 - HA MET 31 lone 5 100 - 5 - HB2 PRO 56 - HA MET 31 lone 4 87 - 4 - HG3 PRO 56 - HA MET 31 lone 3 83 - 4 - HG2 PRO 36 - HA MET 31 lone 3 76 - 3 - HG3 PRO 36 - HA MET 31 lone 2 71 - 3 - HB3 GLN 91 - HA MET 31 lone 1 57 - 1 - Peak 1528 from cnoeabs.peaks (2.63, 4.42, 55.00 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HG2 MET 31 + HA MET 31 OK 100 100 - 100 - 4.2=100 HG2 GLN 61 + HA MET 31 OK 50 73 - 68 - 3.0/1529=14, 1534/3.0=9...(21) HB3 ASP 38 - HA MET 31 OK 24 100 - 24 - 1534/3.0=4, 558/3.0=3...(10) HB2 ASP 38 - HA MET 31 OK 24 100 - 24 - 1534/3.0=4, 558/3.0=3...(10) Peak 1529 from cnoeabs.peaks (2.52, 4.42, 55.00 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.95: * HG3 MET 31 + HA MET 31 OK 89 100 - 89 - 4.2=64, 1.8/1543=21...(13) HB2 GLN 61 + HA MET 31 OK 59 100 - 59 - 1535/3.0=12, 559/3.0=9...(21) HB3 ASP 46 - HA MET 31 lone 4 76 - 6 - 559/3.0=1 Peak 1530 from cnoeabs.peaks (7.71, 1.94, 32.66 ppm; 3.80 A): 2 out of 5 assignments used, quality = 0.97: * H MET 31 + HB2 MET 31 OK 95 100 - 95 - 4.0=84, 557/1.8=17...(12) H GLN 61 + HB2 MET 31 OK 41 71 - 58 - 4.0/1535=10, 711/3.0=8...(21) H ASN 42 - HB2 MET 31 OK 27 97 - 27 - 146=6, 1542/3.0=3...(11) H GLU 50 - HB2 MET 31 OK 24 83 - 29 - 4506/3.0=4, 1542/3.0=3...(12) H TYR 55 - HB2 MET 31 OK 21 89 - 24 - 3.8/4588=3, 1548/3.0=3...(10) Peak 1531 from cnoeabs.peaks (4.42, 1.94, 32.66 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 31 + HB2 MET 31 OK 100 100 - 100 - 3.0=100 HA THR 58 + HB2 MET 31 OK 55 96 - 58 - 1549/3.0=11, 1543/3.0=11...(14) HA SER 22 - HB2 MET 31 poor 8 65 - 12 - 1537/1.8=2, ~4152=2...(5) Peak 1532 from cnoeabs.peaks (1.94, 1.94, 32.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 31 + HB2 MET 31 OK 100 100 - 100 Peak 1533 from cnoeabs.peaks (2.07, 1.94, 32.66 ppm; 2.95 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 31 + HB2 MET 31 OK 100 100 - 100 - 1.8=100 HB3 PRO 44 - HB2 MET 31 OK 16 83 - 19 - 1538=2, 1551/3.0=2...(4) HG2 PRO 44 - HB2 MET 31 OK 13 76 - 17 - 1551/3.0=1, 1545/3.0=1...(4) HB3 GLU 50 - HB2 MET 31 poor 9 57 - 16 - 3.0/4203=2, 3.9/1530=1...(4) HB2 GLU 50 - HB2 MET 31 poor 9 57 - 16 - 3.0/4203=2, 3.9/1530=1...(4) HB VAL 76 - HB2 MET 31 poor 9 68 - 13 - 1538=2, 3.0/4203=1...(6) HB3 GLU 25 - HB2 MET 31 lone 6 90 - 6 - HB2 GLU 25 - HB2 MET 31 lone 5 89 - 6 - HB VAL 45 - HB2 MET 31 lone 5 100 - 5 - ~4410=1 HB2 GLU 59 - HB2 MET 31 lone 5 81 - 6 - ~4991=1 HB3 GLU 59 - HB2 MET 31 lone 5 81 - 6 - ~4991=1 HB2 PRO 56 - HB2 MET 31 lone 4 87 - 5 - 4.0/692=2 HG2 PRO 36 - HB2 MET 31 lone 3 76 - 4 - HG3 PRO 36 - HB2 MET 31 lone 3 71 - 4 - HG3 PRO 56 - HB2 MET 31 lone 2 83 - 3 - HB3 GLN 91 - HB2 MET 31 lone 1 57 - 1 - Peak 1534 from cnoeabs.peaks (2.63, 1.94, 32.66 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HG2 MET 31 + HB2 MET 31 OK 100 100 - 100 - 3.0=100 HG2 GLN 61 + HB2 MET 31 OK 45 73 - 62 - 3.0/1535=10, 1540/1.8=7...(28) HB3 ASP 38 - HB2 MET 31 OK 19 100 - 19 - 3.0/5355=3, 1540/1.8=3...(8) HB2 ASP 38 - HB2 MET 31 OK 19 100 - 19 - 3.0/5355=3, 1540/1.8=3...(8) Peak 1535 from cnoeabs.peaks (2.52, 1.94, 32.66 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HG3 MET 31 + HB2 MET 31 OK 100 100 - 100 - 3.0=100 HB2 GLN 61 + HB2 MET 31 OK 62 100 - 62 - 1541/1.8=10, 1547/3.0=9...(26) HB3 ASP 46 - HB2 MET 31 lone 5 76 - 6 - Peak 1536 from cnoeabs.peaks (7.71, 2.07, 32.66 ppm; 4.16 A): 1 out of 15 assignments used, quality = 1.00: * H MET 31 + HB3 MET 31 OK 100 100 - 100 - 4.0=100 H GLN 61 - HB3 MET 31 OK 45 71 - 64 - 711/3.0=10, 4.0/1541=9...(19) H GLU 50 - HB3 MET 31 OK 26 83 - 31 - 1530/1.8=5, 4506/3.0=4...(11) H ASN 42 - HB3 MET 31 OK 22 97 - 22 - 146/1.8=6, 1542/3.0=3...(9) H TYR 55 - HB3 MET 31 OK 19 89 - 22 - 1530/1.8=4, 1548/3.0=3...(6) H MET 31 - HB VAL 76 OK 11 65 - 17 - 4193/3.0=2, 557=2...(8) H MET 31 - HB3 PRO 44 poor 9 47 - 19 - 557=3, 3.0/1527=3...(8) H GLN 61 - HB3 PRO 44 poor 6 27 - 23 - 714/2.3=6, ~2529=4...(9) H GLU 50 - HB3 PRO 44 poor 4 33 - 13 - 181/4.2=4, 6130/4431=2 H GLU 50 - HB VAL 76 lone 3 47 - 7 - 652/3.0=2 H ASN 42 - HB VAL 76 lone 3 59 - 6 - 148/2.1=1, 148/2.1=1 H GLN 61 - HB VAL 76 lone 3 39 - 8 - 710/3.0=1 H ASN 42 - HB3 PRO 44 lone 3 42 - 7 - 4.1/4349=1, 4.1/4350=1 H TYR 55 - HB3 PRO 44 lone 3 36 - 7 - 4.8/2380=2, 4.8/2387=2 H TYR 55 - HB VAL 76 lone 2 51 - 3 - Peak 1537 from cnoeabs.peaks (4.42, 2.07, 32.66 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HA MET 31 + HB3 MET 31 OK 100 100 - 100 - 3.0=100 HA THR 58 + HB3 MET 31 OK 55 96 - 57 - 1531/1.8=12, 1549/3.0=11...(15) HA MET 31 - HB VAL 76 OK 12 65 - 19 - 6117/4.4=3, 1527=2...(9) HA MET 31 - HB3 PRO 44 OK 11 47 - 24 - 1527=4, 3.0/1533=3...(8) HA SER 22 - HB3 MET 31 poor 8 65 - 12 - 2.9/4152=2, 1531/1.8=2...(6) HA THR 58 - HB3 PRO 44 poor 5 41 - 11 - 4631/3.0=2, ~5753=2...(5) HA SER 22 - HB3 PRO 44 lone 2 24 - 7 - HA SER 22 - HB VAL 76 lone 2 35 - 5 - 2.9/4152=1 HA THR 58 - HB VAL 76 lone 1 58 - 2 - Peak 1538 from cnoeabs.peaks (1.94, 2.07, 32.66 ppm; 2.95 A): 1 out of 27 assignments used, quality = 1.00: * HB2 MET 31 + HB3 MET 31 OK 100 100 - 100 - 1.8=100 HG LEU 57 - HB3 MET 31 OK 37 85 - 44 - 2.1/4846=5, ~6120=5...(19) HB3 ARG 66 - HB3 MET 31 OK 16 99 - 16 - 1544/3.0=2, 1550/3.0=2...(5) HB VAL 41 - HB3 MET 31 OK 14 99 - 14 - 3821/4.0=3, 1526/3.0=2...(6) HB2 MET 31 - HB3 PRO 44 OK 10 47 - 22 - 1533=4, 1533/2.3=2...(5) HB2 MET 31 - HB VAL 76 poor 9 65 - 13 - 1533=2, 4203/3.0=1...(6) HB3 ARG 70 - HB3 MET 31 lone 7 85 - 8 - HB2 ARG 70 - HB3 MET 31 lone 7 85 - 8 - HG13 ILE 68 - HB3 MET 31 lone 6 96 - 7 - HG13 ILE 68 - HB VAL 76 lone 5 58 - 9 - 2774/2.1=1, 2774/2.1=1 HB VAL 41 - HB VAL 76 lone 4 63 - 7 - HB VAL 41 - HB3 PRO 44 lone 3 45 - 7 - HB3 ARG 66 - HB VAL 76 lone 2 63 - 4 - HG LEU 57 - HB3 PRO 44 lone 2 34 - 5 - ~5954=1 HG13 ILE 68 - HB3 PRO 44 lone 1 41 - 3 - HG LEU 57 - HB VAL 76 lone 1 48 - 3 - HB3 ARG 70 - HB VAL 76 lone 1 48 - 3 - HB2 ARG 70 - HB VAL 76 lone 1 48 - 3 - HB2 GLU 19 - HB3 MET 31 lone 1 68 - 1 - HB3 GLU 87 - HB3 MET 31 lone 1 63 - 1 - HB3 ARG 66 - HB3 PRO 44 lone 1 45 - 1 - HB2 GLU 19 - HB VAL 76 lone 0 37 - 1 - HB2 ARG 70 - HB3 PRO 44 lone 0 34 - 1 - HB3 ARG 70 - HB3 PRO 44 lone 0 34 - 1 - HB3 GLU 87 - HB VAL 76 lone 0 34 - 1 - HB2 GLU 19 - HB3 PRO 44 lone 0 26 - 1 - HB3 GLU 87 - HB3 PRO 44 lone 0 23 - 1 - Peak 1539 from cnoeabs.peaks (2.07, 2.07, 32.66 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 31 + HB3 MET 31 OK 100 100 - 100 HB VAL 76 - HB VAL 76 OK 37 37 - 100 HB3 PRO 44 - HB3 PRO 44 OK 33 33 - 100 Peak 1540 from cnoeabs.peaks (2.63, 2.07, 32.66 ppm; 3.16 A): 1 out of 12 assignments used, quality = 1.00: * HG2 MET 31 + HB3 MET 31 OK 100 100 - 100 - 3.0=100 HG2 GLN 61 - HB3 MET 31 OK 42 73 - 58 - 1534/1.8=8, 3.0/1541=7...(24) HB3 ASP 38 - HB3 MET 31 OK 17 100 - 17 - 1534/1.8=4, ~1534=2...(8) HB2 ASP 38 - HB3 MET 31 OK 17 100 - 17 - 1534/1.8=4, ~1534=2...(8) HG2 MET 31 - HB VAL 76 OK 10 65 - 16 - 1545=3, 1.8/1551=2...(5) HG2 GLN 61 - HB3 PRO 44 OK 10 28 - 36 - 2553/2.3=6, ~2537=3...(18) HG2 MET 31 - HB3 PRO 44 poor 10 47 - 21 - 1545=4, 1.8/1551=3...(6) HG2 GLN 61 - HB VAL 76 lone 2 40 - 5 - HB3 ASP 38 - HB3 PRO 44 lone 1 46 - 3 - HB2 ASP 38 - HB3 PRO 44 lone 1 46 - 3 - HB3 ASP 38 - HB VAL 76 lone 1 64 - 1 - HB2 ASP 38 - HB VAL 76 lone 1 64 - 1 - Peak 1541 from cnoeabs.peaks (2.52, 2.07, 32.66 ppm; 3.06 A): 2 out of 9 assignments used, quality = 1.00: * HG3 MET 31 + HB3 MET 31 OK 100 100 - 100 - 3.0=100 HB2 GLN 61 + HB3 MET 31 OK 57 100 - 58 - 1535/1.8=12, 1547/3.0=8...(24) HB2 GLN 61 - HB3 PRO 44 OK 16 46 - 34 - 2537/2.3=5, ~2545=4...(15) HG3 MET 31 - HB3 PRO 44 poor 10 47 - 21 - 1551=4, 1.8/1545=3...(6) HG3 MET 31 - HB VAL 76 poor 10 65 - 15 - 1551=2, 1.8/1545=2...(5) HB3 ASP 46 - HB3 MET 31 lone 5 76 - 7 - HB2 GLN 61 - HB VAL 76 lone 4 65 - 5 - HB3 ASP 46 - HB3 PRO 44 lone 3 29 - 10 - 4.6/4431=4, 4.0/164=2 HB3 ASP 46 - HB VAL 76 lone 0 42 - 1 - Peak 1542 from cnoeabs.peaks (7.71, 2.63, 32.57 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.97: * H MET 31 + HG2 MET 31 OK 94 100 - 94 - 4.7=62, 559/1.8=22...(18) H GLN 61 + HG2 MET 31 OK 49 71 - 69 - 711/1.8=12, 4.0/1547=10...(24) H GLU 50 - HG2 MET 31 OK 27 83 - 33 - 1548/1.8=5, 1530/3.0=4...(14) H ASN 42 - HG2 MET 31 OK 22 97 - 22 - 146/3.0=4, 1548/1.8=3...(9) H TYR 55 - HG2 MET 31 OK 19 89 - 21 - 1548/1.8=4, 1530/3.0=3...(6) Peak 1543 from cnoeabs.peaks (4.42, 2.63, 32.57 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.96: * HA MET 31 + HG2 MET 31 OK 92 100 - 92 - 4.2=71, 1529/1.8=23...(14) HA THR 58 + HG2 MET 31 OK 54 96 - 57 - 1549/1.8=14, 3.0/5090=10...(12) HA SER 22 - HG2 MET 31 lone 5 65 - 8 - 1549/1.8=1, 1531/3.0=1...(4) Peak 1544 from cnoeabs.peaks (1.94, 2.63, 32.57 ppm; 3.23 A): 2 out of 9 assignments used, quality = 1.00: * HB2 MET 31 + HG2 MET 31 OK 100 100 - 100 - 3.0=100 HG LEU 57 + HG2 MET 31 OK 48 85 - 56 - 1550/1.8=8, 2.1/4847=7...(22) HB3 ARG 66 - HG2 MET 31 OK 21 99 - 21 - 1550/1.8=3, 1538/3.0=2...(9) HB VAL 41 - HG2 MET 31 OK 17 99 - 17 - 1550/1.8=3, 3821/4.7=3...(5) HG13 ILE 68 - HG2 MET 31 poor 10 96 - 10 - 1550/1.8=1 HB3 ARG 70 - HG2 MET 31 lone 8 85 - 9 - 1550/1.8=1, 4.1/3774=1 HB2 ARG 70 - HG2 MET 31 lone 8 85 - 9 - 1550/1.8=1, 4.1/3774=1 HB2 GLU 19 - HG2 MET 31 lone 1 68 - 1 - HB3 GLU 87 - HG2 MET 31 lone 1 63 - 1 - Peak 1545 from cnoeabs.peaks (2.07, 2.63, 32.57 ppm; 3.23 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 31 + HG2 MET 31 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG2 MET 31 OK 17 83 - 20 - 1551/1.8=3, 1540=2...(5) HG2 PRO 44 - HG2 MET 31 OK 13 76 - 18 - 1551/1.8=3, 1533/3.0=2...(5) HB VAL 76 - HG2 MET 31 OK 11 68 - 17 - 1540=2, 1551/1.8=2...(6) HB2 GLU 50 - HG2 MET 31 poor 10 57 - 17 - 3.9/1542=2, 3.0/4201=2...(7) HB3 GLU 50 - HG2 MET 31 poor 10 57 - 17 - 3.9/1542=2, 3.0/4201=2...(7) HB3 GLU 25 - HG2 MET 31 lone 6 90 - 7 - 1551/1.8=1 HB2 GLU 25 - HG2 MET 31 lone 6 89 - 7 - 1551/1.8=1 HB VAL 45 - HG2 MET 31 lone 6 100 - 6 - ~4410=2, 1551/1.8=1 HB2 GLU 59 - HG2 MET 31 lone 4 81 - 5 - HB3 GLU 59 - HG2 MET 31 lone 4 81 - 5 - HG2 PRO 36 - HG2 MET 31 lone 3 76 - 4 - HB2 PRO 56 - HG2 MET 31 lone 3 87 - 3 - HG3 PRO 36 - HG2 MET 31 lone 3 71 - 4 - HG3 PRO 56 - HG2 MET 31 lone 3 83 - 3 - HB3 GLN 91 - HG2 MET 31 lone 1 57 - 1 - Peak 1546 from cnoeabs.peaks (2.63, 2.63, 32.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 31 + HG2 MET 31 OK 100 100 - 100 Peak 1547 from cnoeabs.peaks (2.52, 2.63, 32.57 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 31 + HG2 MET 31 OK 100 100 - 100 - 1.8=100 HB2 GLN 61 - HG2 MET 31 OK 41 100 - 41 - 1535/3.0=5, 1541/3.0=4...(19) HB3 ASP 46 - HG2 MET 31 lone 2 76 - 3 - Peak 1548 from cnoeabs.peaks (7.71, 2.52, 32.57 ppm; 4.12 A): 2 out of 5 assignments used, quality = 0.97: * H MET 31 + HG3 MET 31 OK 93 100 - 93 - 4.7=66, 558/1.8=21...(14) H GLN 61 + HG3 MET 31 OK 54 71 - 76 - 711=14, 4.0/2542=11...(24) H GLU 50 - HG3 MET 31 OK 27 83 - 33 - 1542/1.8=5, 1530/3.0=4...(14) H TYR 55 - HG3 MET 31 OK 22 89 - 25 - 1542/1.8=4, 1530/3.0=3...(7) H ASN 42 - HG3 MET 31 OK 19 97 - 20 - 146/3.0=5, 1542/1.8=4...(7) Peak 1549 from cnoeabs.peaks (4.42, 2.52, 32.57 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.96: * HA MET 31 + HG3 MET 31 OK 91 100 - 91 - 4.2=69, 1543/1.8=22...(13) HA THR 58 + HG3 MET 31 OK 55 96 - 58 - 1543/1.8=13, 3.0/4625=11...(13) HA SER 22 - HG3 MET 31 lone 5 65 - 8 - 1543/1.8=1, 1531/3.0=1...(4) Peak 1550 from cnoeabs.peaks (1.94, 2.52, 32.57 ppm; 3.27 A): 2 out of 9 assignments used, quality = 1.00: * HB2 MET 31 + HG3 MET 31 OK 100 100 - 100 - 3.0=100 HG LEU 57 + HG3 MET 31 OK 48 85 - 56 - 2.1/4602=8, 1544/1.8=8...(20) HB3 ARG 66 - HG3 MET 31 OK 21 99 - 22 - 1544/1.8=4, 2.8/5191=2...(9) HB VAL 41 - HG3 MET 31 OK 17 99 - 17 - 1544/1.8=3, 3821/4.7=3...(5) HG13 ILE 68 - HG3 MET 31 lone 9 96 - 9 - 1544/1.8=2 HB3 ARG 70 - HG3 MET 31 lone 8 85 - 9 - 1544/1.8=1, 4.1/3775=1, 91/4.9=1 HB2 ARG 70 - HG3 MET 31 lone 8 85 - 9 - 1544/1.8=1, 4.1/3775=1, 91/4.9=1 HB2 GLU 19 - HG3 MET 31 lone 1 68 - 1 - HB3 GLU 87 - HG3 MET 31 lone 1 63 - 1 - Peak 1551 from cnoeabs.peaks (2.07, 2.52, 32.57 ppm; 3.21 A): 1 out of 16 assignments used, quality = 1.00: * HB3 MET 31 + HG3 MET 31 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG3 MET 31 OK 17 83 - 21 - 1545/1.8=3, 1541=2...(6) HG2 PRO 44 - HG3 MET 31 OK 15 76 - 19 - 1545/1.8=2, 1533/3.0=2...(6) HB VAL 76 - HG3 MET 31 OK 11 68 - 16 - 1541=2, 1545/1.8=2...(6) HB3 GLU 50 - HG3 MET 31 poor 10 57 - 17 - 3.0/2526=2, 3.9/1548=2...(6) HB2 GLU 50 - HG3 MET 31 poor 10 57 - 17 - 3.0/2526=2, 3.9/1548=2...(6) HB VAL 45 - HG3 MET 31 lone 7 100 - 7 - 2.1/4410=2, 1545/1.8=1 HB3 GLU 25 - HG3 MET 31 lone 7 90 - 7 - 1545/1.8=1 HB2 GLU 25 - HG3 MET 31 lone 6 89 - 7 - 1545/1.8=1 HB2 GLU 59 - HG3 MET 31 lone 4 81 - 5 - HB3 GLU 59 - HG3 MET 31 lone 4 81 - 5 - HG2 PRO 36 - HG3 MET 31 lone 3 76 - 4 - HB2 PRO 56 - HG3 MET 31 lone 3 87 - 4 - HG3 PRO 36 - HG3 MET 31 lone 3 71 - 4 - HG3 PRO 56 - HG3 MET 31 lone 3 83 - 3 - HB3 GLN 91 - HG3 MET 31 lone 1 57 - 1 - Peak 1552 from cnoeabs.peaks (2.63, 2.52, 32.57 ppm; 2.55 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 31 + HG3 MET 31 OK 100 100 - 100 - 1.8=100 HG2 GLN 61 - HG3 MET 31 OK 33 73 - 45 - 3.0/2542=5, 1.8/2558=4...(23) HB2 ASP 38 - HG3 MET 31 lone 10 100 - 10 - 1534/3.0=2, 1540/3.0=1 HB3 ASP 38 - HG3 MET 31 lone 10 100 - 10 - 1534/3.0=2, 1540/3.0=1 Peak 1553 from cnoeabs.peaks (2.52, 2.52, 32.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 31 + HG3 MET 31 OK 100 100 - 100 Peak 1554 from cnoeabs.peaks (7.94, 3.98, 56.13 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 H LEU 29 - HA LYS 32 OK 21 97 - 22 - 3.6/1559=4, 77=3...(9) H ARG 70 - HA LYS 32 OK 20 96 - 21 - 767=3, 1584/3.9=2...(8) H VAL 76 - HA LYS 32 OK 11 85 - 13 - 812=2, 1584/3.9=1, 1594/3.9=1 H ASP 67 - HA LYS 32 OK 10 97 - 10 - 277=2 Peak 1555 from cnoeabs.peaks (3.98, 3.98, 56.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 32 + HA LYS 32 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (1.77, 3.98, 56.13 ppm; 3.15 A): 2 out of 20 assignments used, quality = 1.00: HB3 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 * HB2 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 HB ILE 33 - HA LYS 32 OK 31 100 - 31 - 3.9/3776=17, 3.0/5543=3...(7) HB2 ARG 54 - HA LYS 32 OK 18 99 - 18 - 3.0/1558=4, 2311/3.9=2...(7) HB2 PRO 34 - HA LYS 32 OK 16 99 - 17 - 3778/3.6=2 HB3 LYS 73 - HA LYS 32 OK 16 100 - 16 - 4.0/5987=2, 1.8/5061=1...(6) HG2 PRO 34 - HA LYS 32 OK 16 93 - 17 - 572/3.6=2, ~1711=1, ~1713=1 HB2 LEU 57 - HA LYS 32 OK 11 99 - 11 - 572/3.6=2, 563/3.0=1...(4) HB2 ARG 69 - HA LYS 32 poor 10 60 - 16 - 4.3/1554=2, 1.8/4766=2...(9) HB3 LYS 39 - HA LYS 32 lone 7 98 - 7 - HG3 ARG 71 - HA LYS 32 lone 7 78 - 8 - HB3 LYS 75 - HA LYS 32 lone 6 93 - 6 - HB2 LYS 13 - HA LYS 32 lone 5 90 - 5 - HB3 ARG 82 - HA LYS 32 lone 3 99 - 3 - HB2 LEU 62 - HA LYS 32 lone 3 65 - 5 - HB3 ARG 84 - HA LYS 32 lone 3 60 - 4 - HG3 ARG 26 - HA LYS 32 lone 2 71 - 3 - HB2 LYS 83 - HA LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HA LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HA LYS 32 lone 1 57 - 2 - Peak 1557 from cnoeabs.peaks (1.77, 3.98, 56.13 ppm; 3.15 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 HB2 LYS 32 + HA LYS 32 OK 100 100 - 100 - 3.0=100 HB ILE 33 - HA LYS 32 OK 31 100 - 31 - 3.9/3776=17, 3.0/5543=3...(7) HB2 ARG 54 - HA LYS 32 OK 18 99 - 18 - 3.0/1558=4, 2311/3.9=2...(7) HB2 PRO 34 - HA LYS 32 OK 16 99 - 17 - 3778/3.6=2 HB3 LYS 73 - HA LYS 32 OK 16 100 - 16 - 4.0/5987=2, 1.8/5061=1...(6) HG2 PRO 34 - HA LYS 32 OK 16 93 - 17 - 572/3.6=2, ~1711=1, ~1713=1 HB2 LEU 57 - HA LYS 32 OK 11 99 - 11 - 572/3.6=2, 563/3.0=1...(4) HB2 ARG 69 - HA LYS 32 poor 10 60 - 16 - 4.3/1554=2, 1.8/4766=2...(9) HB3 LYS 39 - HA LYS 32 lone 7 98 - 7 - HG3 ARG 71 - HA LYS 32 lone 7 78 - 8 - HB3 LYS 75 - HA LYS 32 lone 6 93 - 6 - HB2 LYS 13 - HA LYS 32 lone 5 90 - 5 - HB3 ARG 82 - HA LYS 32 lone 3 99 - 3 - HB2 LEU 62 - HA LYS 32 lone 3 65 - 5 - HB3 ARG 84 - HA LYS 32 lone 3 60 - 4 - HG3 ARG 26 - HA LYS 32 lone 2 71 - 3 - HB2 LYS 83 - HA LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HA LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HA LYS 32 lone 1 57 - 2 - Peak 1558 from cnoeabs.peaks (1.28, 3.98, 56.13 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.95: * HG2 LYS 32 + HA LYS 32 OK 93 100 - 93 - 3.9=81, 564/3.0=18...(19) HG2 ARG 54 + HA LYS 32 OK 21 76 - 28 - 99/3.6=4, 564/3.0=4...(8) QG2 THR 58 - HA LYS 32 lone 6 60 - 10 - 564/3.0=3, ~90=2 Peak 1559 from cnoeabs.peaks (1.33, 3.98, 56.13 ppm; 3.69 A): 2 out of 7 assignments used, quality = 0.98: * HG3 LYS 32 + HA LYS 32 OK 96 100 - 96 - 3.9=87, 1.8/1558=29...(19) QB ALA 28 + HA LYS 32 OK 52 97 - 53 - 5303/3.6=20, 3762/3.0=8...(14) HB2 LEU 51 - HA LYS 32 OK 23 99 - 24 - 100/3.6=4, 1589/3.9=3...(7) HB2 LEU 52 - HA LYS 32 OK 19 99 - 20 - 100/3.6=3, 565/3.0=2...(9) HG2 ARG 54 - HA LYS 32 OK 18 78 - 23 - 2325/3.0=3, 2325/3.0=3...(9) QG2 THR 58 - HA LYS 32 OK 10 90 - 12 - 565/3.0=3, ~90=2 QB ALA 12 - HA LYS 32 lone 2 100 - 2 - Peak 1560 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.47 A): 2 out of 19 assignments used, quality = 1.00: HD3 LYS 32 + HA LYS 32 OK 94 100 - 94 - 5.1=67, 3.0/1558=31...(33) * HD2 LYS 32 + HA LYS 32 OK 94 100 - 94 - 5.1=67, 3.0/1558=31...(32) HD3 LYS 73 - HA LYS 32 OK 39 100 - 39 - 1591/3.9=4, 1601/3.9=3...(17) HD2 LYS 73 - HA LYS 32 OK 39 100 - 39 - 1591/3.9=4, 1601/3.9=3...(17) HG3 ARG 70 - HA LYS 32 OK 25 100 - 25 - 4.9/1554=3, 1.8/2865=3...(9) HB3 LEU 51 - HA LYS 32 OK 25 97 - 26 - 1.8/1559=5, 2225/3.9=3...(13) HG2 ARG 71 - HA LYS 32 OK 15 98 - 16 - 5.0/304=1, 1618/3.9=1...(5) HD3 LYS 39 - HA LYS 32 poor 9 63 - 15 - ~1865=1, ~1875=1 HD2 LYS 39 - HA LYS 32 poor 9 65 - 14 - ~1865=1, ~1875=1 HG2 ARG 84 - HA LYS 32 lone 9 89 - 10 - HG3 ARG 84 - HA LYS 32 lone 9 89 - 10 - HG2 ARG 17 - HA LYS 32 lone 7 99 - 7 - HG3 ARG 17 - HA LYS 32 lone 7 98 - 7 - HB3 LEU 62 - HA LYS 32 lone 7 78 - 9 - 4.0/247=1 HB2 LEU 86 - HA LYS 32 lone 7 100 - 6 - HG2 ARG 26 - HA LYS 32 lone 7 97 - 7 - HG LEU 86 - HA LYS 32 lone 6 96 - 6 - HG2 ARG 27 - HA LYS 32 lone 4 81 - 5 - HG3 ARG 27 - HA LYS 32 lone 4 78 - 5 - Peak 1561 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.47 A): 2 out of 18 assignments used, quality = 1.00: * HD3 LYS 32 + HA LYS 32 OK 94 100 - 94 - 5.1=67, 3.0/1558=31...(33) HD2 LYS 32 + HA LYS 32 OK 94 100 - 94 - 5.1=67, 3.0/1558=31...(32) HD3 LYS 73 - HA LYS 32 OK 39 100 - 39 - 1591/3.9=4, 1601/3.9=3...(17) HD2 LYS 73 - HA LYS 32 OK 39 100 - 39 - 1591/3.9=4, 1601/3.9=3...(17) HG3 ARG 70 - HA LYS 32 OK 25 100 - 25 - 4.9/1554=3, 1.8/2865=3...(9) HB3 LEU 51 - HA LYS 32 OK 24 95 - 26 - 1.8/1559=5, 2225/3.9=3...(13) HG2 ARG 71 - HA LYS 32 OK 15 99 - 16 - 5.0/304=1, 1618/3.9=1...(5) HG2 ARG 84 - HA LYS 32 lone 9 85 - 10 - HG3 ARG 84 - HA LYS 32 lone 9 85 - 10 - HD2 LYS 39 - HA LYS 32 poor 8 60 - 14 - ~1865=1, ~1875=1 HG2 ARG 17 - HA LYS 32 lone 7 99 - 7 - HG3 ARG 17 - HA LYS 32 lone 7 99 - 7 - HG2 ARG 26 - HA LYS 32 lone 7 98 - 7 - HB2 LEU 86 - HA LYS 32 lone 7 100 - 6 - HB3 LEU 62 - HA LYS 32 lone 6 73 - 8 - 4.0/247=1 HG LEU 86 - HA LYS 32 lone 6 93 - 6 - HG2 ARG 27 - HA LYS 32 lone 4 85 - 5 - HG3 ARG 27 - HA LYS 32 lone 4 83 - 5 - Peak 1564 from cnoeabs.peaks (7.94, 1.77, 30.20 ppm; 4.44 A): 2 out of 25 assignments used, quality = 1.00: * H LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.0=100 H LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 4.0=100 H ARG 70 - HB2 LYS 32 OK 34 96 - 35 - 1554/3.0=5, 1584/2.9=5...(13) H ARG 70 - HB3 LYS 32 OK 34 96 - 35 - 1554/3.0=5, 1584/2.9=5...(13) H LEU 29 - HB2 LYS 32 OK 33 97 - 35 - 1594/2.9=7, 1584/2.9=6...(11) H LEU 29 - HB3 LYS 32 OK 33 97 - 35 - 1594/2.9=7, 1584/2.9=6...(11) H VAL 76 - HB3 LYS 32 OK 19 85 - 23 - 1554/3.0=3, 1584/2.9=3...(9) H VAL 76 - HB2 LYS 32 OK 19 85 - 23 - 1554/3.0=3, 1584/2.9=3...(9) H ASP 67 - HB2 LYS 32 OK 14 97 - 15 - 277/3.0=3, 1584/2.9=2...(4) H ASP 67 - HB3 LYS 32 OK 14 97 - 15 - 277/3.0=3, 1584/2.9=2...(4) H LEU 29 - HB3 ARG 84 OK 11 44 - 25 - 76/4.0=5, 546/1.8=4...(7) H LYS 32 - HB2 PRO 34 poor 9 65 - 15 - 4.6/97=3, 3.0/1556=2...(8) H LEU 29 - HB3 ARG 82 poor 9 74 - 12 - ~3235=2, 548/1.8=2, 545/3.0=1 H ARG 70 - HB3 ARG 84 poor 9 43 - 21 - 5390/4.6=4, 770/1.8=3...(8) H LYS 32 - HB3 ARG 82 lone 3 80 - 4 - H VAL 76 - HB3 ARG 84 lone 3 36 - 10 - 5431/3.0=2, 907/4.0=2, 341=1 H ASP 67 - HB3 ARG 82 lone 3 75 - 4 - 5805/2.9=1 H LYS 32 - HB3 ARG 84 lone 3 49 - 6 - H LEU 29 - HB2 PRO 34 lone 3 59 - 4 - H ARG 70 - HB3 ARG 82 lone 2 73 - 3 - H ARG 70 - HB2 PRO 34 lone 2 58 - 4 - H ASP 67 - HB2 PRO 34 lone 2 60 - 4 - H VAL 76 - HB3 ARG 82 lone 2 62 - 4 - H ASP 67 - HB3 ARG 84 lone 2 45 - 4 - H VAL 76 - HB2 PRO 34 lone 2 48 - 3 - Peak 1565 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.58 A): 2 out of 50 assignments used, quality = 1.00: HA LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 3.0=100 * HA LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 3.0=100 HA ALA 28 - HB3 LYS 32 OK 37 85 - 44 - 2.1/4180=4, 1472/2.9=4...(18) HA ALA 28 - HB2 LYS 32 OK 37 85 - 44 - 2.1/4180=4, 1472/2.9=4...(18) HA GLN 61 - HB3 LYS 32 OK 20 96 - 21 - 5.7/6065=3, 1595/2.9=2...(9) HA GLN 61 - HB2 LYS 32 OK 20 96 - 21 - 5.7/6065=3, 1595/2.9=2...(9) HA ARG 70 - HB3 LYS 32 OK 18 71 - 25 - 5984/1.8=2, 1595/2.9=2...(13) HA ARG 70 - HB2 LYS 32 OK 18 71 - 25 - 5984/1.8=2, 1595/2.9=2...(13) HA VAL 76 - HB3 LYS 32 OK 15 98 - 16 - 1585/2.9=2, 1595/2.9=2...(4) HA VAL 76 - HB2 LYS 32 OK 15 98 - 16 - 1585/2.9=2, 1595/2.9=2...(4) HA LYS 32 - HB2 PRO 34 OK 15 65 - 24 - 3.6/3778=3, 1556=2...(10) HA ARG 66 - HB3 LYS 32 OK 12 100 - 12 - 3924/4.0=3, 1585/2.9=1...(4) HA ARG 66 - HB2 LYS 32 OK 12 100 - 12 - 3924/4.0=3, 1585/2.9=1...(4) HA2 GLY 72 - HB3 LYS 32 poor 10 93 - 11 - 3.6/788=2, 3.0/5841=1 HA2 GLY 72 - HB2 LYS 32 poor 10 93 - 11 - 3.6/788=2, 3.0/5841=1 HA GLU 50 - HB3 LYS 32 lone 7 95 - 7 - 561/4.0=1, 1595/2.9=1 HA GLU 50 - HB2 LYS 32 lone 7 95 - 7 - 561/4.0=1, 1595/2.9=1 HA GLN 61 - HB2 PRO 34 lone 5 58 - 8 - 5.7/6065=3, 5.7/4670=1 HA LYS 32 - HB3 ARG 82 lone 4 80 - 5 - HA2 GLY 21 - HB3 LYS 32 lone 4 71 - 5 - HA2 GLY 21 - HB2 LYS 32 lone 4 71 - 5 - HA3 GLY 21 - HB3 LYS 32 lone 4 68 - 5 - HA3 GLY 21 - HB2 LYS 32 lone 4 68 - 5 - HA ALA 28 - HB2 PRO 34 lone 3 48 - 7 - HA ARG 66 - HB2 PRO 34 lone 3 65 - 5 - HA ARG 70 - HB3 ARG 84 poor 3 28 - 11 - 5391/4.6=1, 5984=1...(4) HA LYS 32 - HB3 ARG 84 lone 3 49 - 6 - HA VAL 76 - HB3 ARG 84 lone 3 45 - 6 - HA ARG 66 - HB3 ARG 82 lone 2 80 - 3 - HA ALA 28 - HB3 ARG 84 lone 2 36 - 5 - 1470/4.0=1 HA2 GLY 72 - HB3 ARG 84 lone 2 41 - 4 - 6034/4.6=2 HA ALA 28 - HB3 ARG 82 lone 2 62 - 3 - HA VAL 76 - HB3 ARG 82 lone 2 76 - 2 - HA2 GLY 72 - HB2 PRO 34 lone 2 55 - 3 - HA GLN 61 - HB3 ARG 82 lone 1 73 - 2 - HA2 GLY 72 - HB3 ARG 82 lone 1 70 - 2 - HA ARG 70 - HB3 ARG 82 lone 1 50 - 2 - HA GLU 50 - HB2 PRO 34 lone 1 57 - 2 - HA VAL 76 - HB2 PRO 34 lone 1 61 - 2 - HA ARG 70 - HB2 PRO 34 lone 1 38 - 2 - HA ARG 66 - HB3 ARG 84 lone 1 49 - 2 - HA2 GLY 21 - HB2 PRO 34 lone 1 38 - 2 - HA3 GLY 21 - HB2 PRO 34 lone 1 37 - 2 - HA GLU 50 - HB3 ARG 82 lone 1 71 - 1 - HA2 GLY 21 - HB3 ARG 82 lone 1 50 - 1 - HA GLU 50 - HB3 ARG 84 lone 1 42 - 1 - HA GLN 61 - HB3 ARG 84 lone 1 43 - 1 - HA3 GLY 21 - HB3 ARG 82 lone 0 48 - 1 - HA2 GLY 21 - HB3 ARG 84 lone 0 28 - 1 - HA3 GLY 21 - HB3 ARG 84 lone 0 27 - 1 - Peak 1566 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 * HB2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 HB3 ARG 82 + HB3 ARG 82 OK 77 77 - 100 HB2 PRO 34 + HB2 PRO 34 OK 63 63 - 100 HB3 ARG 84 - HB3 ARG 84 OK 23 23 - 100 Peak 1567 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 HB2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 HB3 ARG 82 + HB3 ARG 82 OK 77 77 - 100 HB2 PRO 34 + HB2 PRO 34 OK 63 63 - 100 HB3 ARG 84 - HB3 ARG 84 OK 23 23 - 100 Reference assignment not found: HB3 LYS 32 - HB2 LYS 32 Peak 1568 from cnoeabs.peaks (1.28, 1.77, 30.20 ppm; 3.87 A): 2 out of 15 assignments used, quality = 1.00: HG2 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 2.9=100 * HG2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 2.9=100 HG2 ARG 54 - HB3 LYS 32 OK 40 76 - 53 - 1558/3.0=6, 1598/2.9=5...(28) HG2 ARG 54 - HB2 LYS 32 OK 40 76 - 53 - 1558/3.0=6, 1598/2.9=5...(28) HG2 LYS 32 - HB2 PRO 34 OK 20 65 - 31 - 1586=3, 1.8/1596=2...(17) HG2 ARG 54 - HB2 PRO 34 OK 11 42 - 26 - 2325=2, 2325/2.3=2...(6) HG2 ARG 54 - HB3 ARG 82 poor 10 54 - 18 - 3.0/2317=2, ~5480=2...(9) QG2 THR 58 - HB2 LYS 32 poor 6 60 - 11 - 564/4.0=3, 1558/3.0=2, 4.0/227=1 QG2 THR 58 - HB3 LYS 32 poor 6 60 - 11 - 564/4.0=3, 1558/3.0=2, 4.0/227=1 HG2 LYS 32 - HB3 ARG 82 lone 5 80 - 6 - HG2 LYS 32 - HB3 ARG 84 lone 5 49 - 10 - HG2 ARG 54 - HB3 ARG 84 lone 1 31 - 4 - QG2 THR 58 - HB2 PRO 34 lone 1 32 - 3 - QG2 THR 58 - HB3 ARG 82 lone 0 41 - 1 - QG2 THR 58 - HB3 ARG 84 lone 0 23 - 1 - Peak 1569 from cnoeabs.peaks (1.33, 1.77, 30.20 ppm; 3.61 A): 4 out of 35 assignments used, quality = 1.00: * HG3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 2.9=100 HG3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 2.9=100 QB ALA 28 + HB2 LYS 32 OK 54 97 - 56 - 5303/4.3=16, 1559/3.0=6...(20) QB ALA 28 + HB3 LYS 32 OK 54 97 - 56 - 5303/4.3=16, 1559/3.0=6...(20) HB2 LEU 51 - HB3 LYS 32 OK 38 99 - 38 - 1589/2.9=3, 1559/3.0=3...(22) HB2 LEU 51 - HB2 LYS 32 OK 38 99 - 38 - 1589/2.9=3, 1559/3.0=3...(22) HG2 ARG 54 - HB3 LYS 32 OK 34 78 - 43 - 2325=4, 3.0/2317=3...(20) HG2 ARG 54 - HB2 LYS 32 OK 34 78 - 43 - 2325=4, 3.0/2317=3...(20) HB2 LEU 52 - HB3 LYS 32 OK 22 99 - 22 - 1559/3.0=2, 100/4.3=2...(8) HB2 LEU 52 - HB2 LYS 32 OK 22 99 - 22 - 1559/3.0=2, 100/4.3=2...(8) HG3 LYS 32 - HB2 PRO 34 OK 18 65 - 28 - 1597=3, 1.8/1587=2...(12) HB2 LEU 51 - HB2 PRO 34 OK 12 62 - 19 - ~4862=3, ~5566=2...(8) HG2 ARG 54 - HB2 PRO 34 OK 10 44 - 23 - 2325=2, 2325/2.3=2...(4) QG2 THR 58 - HB2 LYS 32 poor 9 90 - 10 - 565/4.0=2, 1559/3.0=1 QG2 THR 58 - HB3 LYS 32 poor 9 90 - 10 - 565/4.0=2, 1559/3.0=1 HG2 ARG 54 - HB3 ARG 82 poor 9 56 - 16 - 3.0/2317=2, 2325=2...(4) QB ALA 28 - HB2 PRO 34 poor 6 60 - 10 - 4179/1660=1, 5303/3778=1 HG3 LYS 32 - HB3 ARG 84 lone 4 49 - 9 - HG3 LYS 32 - HB3 ARG 82 lone 4 80 - 5 - QB ALA 12 - HB2 LYS 32 lone 4 100 - 3 - QB ALA 12 - HB3 LYS 32 lone 4 100 - 3 - HB2 LEU 52 - HB2 PRO 34 lone 3 62 - 5 - QB ALA 28 - HB3 ARG 82 lone 3 75 - 4 - QB ALA 28 - HB3 ARG 84 lone 3 45 - 6 - 1473/4.0=1 HB2 LEU 51 - HB3 ARG 82 lone 2 78 - 3 - QG2 THR 58 - HB2 PRO 34 lone 2 53 - 4 - 5755/6065=1 HB2 LEU 51 - HB3 ARG 84 lone 2 47 - 3 - HB2 LEU 52 - HB3 ARG 82 lone 1 78 - 2 - QB ALA 12 - HB2 PRO 34 lone 1 64 - 2 - HG2 ARG 54 - HB3 ARG 84 lone 1 32 - 3 - HB2 LEU 52 - HB3 ARG 84 lone 1 47 - 2 - QB ALA 12 - HB3 ARG 82 lone 1 80 - 1 - QB ALA 12 - HB3 ARG 84 lone 1 48 - 2 - QG2 THR 58 - HB3 ARG 82 lone 1 67 - 1 - QG2 THR 58 - HB3 ARG 84 lone 0 39 - 1 - Peak 1570 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 4 out of 95 assignments used, quality = 0.99: HD3 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD3 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) * HD2 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HG3 ARG 84 - HB3 ARG 84 OK 36 38 - 96 - 3.0=93, 1.8/3402=4...(15) HG2 ARG 84 - HB3 ARG 84 OK 36 38 - 96 - 3.0=93, 1.8/3402=4...(15) HD2 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HB3 LEU 51 - HB2 LYS 32 OK 18 97 - 19 - 2225/2.9=2, 1.8/1569=1...(6) HB3 LEU 51 - HB3 LYS 32 OK 18 97 - 19 - 2225/2.9=2, 1.8/1569=1...(6) HD3 LYS 32 - HB2 PRO 34 OK 10 64 - 16 - 3.0/1586=1, 3.0/1596=1 HD2 LYS 32 - HB2 PRO 34 OK 10 65 - 16 - 3.0/1586=1, 3.0/1597=1 HG2 ARG 71 - HB3 LYS 32 lone 10 98 - 10 - HG2 ARG 71 - HB2 LYS 32 lone 10 98 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 9 61 - 14 - HG3 ARG 70 - HB2 LYS 32 lone 9 100 - 9 - HG3 ARG 70 - HB3 LYS 32 lone 9 100 - 9 - HD3 LYS 39 - HB3 LYS 32 poor 8 63 - 13 - HD3 LYS 39 - HB2 LYS 32 poor 8 63 - 13 - HD2 LYS 39 - HB3 LYS 32 poor 8 65 - 12 - HD2 LYS 39 - HB2 LYS 32 poor 8 65 - 12 - HG2 ARG 84 - HB3 LYS 32 lone 6 89 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 6 89 - 7 - HG3 ARG 84 - HB3 LYS 32 lone 6 89 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 6 89 - 7 - HB3 LEU 51 - HB2 PRO 34 poor 6 59 - 10 - ~4862=2, ~5566=1 HG2 ARG 26 - HB2 PRO 34 lone 6 59 - 9 - HB2 LEU 86 - HB2 PRO 34 lone 5 64 - 7 - HG2 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG2 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HB3 LEU 62 - HB3 LYS 32 lone 4 78 - 5 - HB3 LEU 62 - HB2 LYS 32 lone 4 78 - 5 - HG3 ARG 17 - HB2 LYS 32 lone 4 98 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 4 98 - 4 - HD2 LYS 39 - HB2 PRO 34 poor 4 35 - 12 - 3.0/1865=1 HD2 LYS 73 - HB3 ARG 84 lone 4 49 - 8 - HD3 LYS 73 - HB3 ARG 84 lone 4 49 - 8 - HD3 LYS 39 - HB2 PRO 34 poor 4 33 - 12 - 3.0/1865=1 HD2 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HD3 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HG2 ARG 26 - HB3 LYS 32 lone 4 97 - 4 - HG2 ARG 26 - HB2 LYS 32 lone 4 97 - 4 - HG2 ARG 17 - HB3 ARG 84 lone 4 46 - 8 - HB2 LEU 86 - HB2 LYS 32 lone 3 100 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 3 100 - 3 - HG3 ARG 17 - HB3 ARG 84 lone 3 45 - 8 - HG LEU 86 - HB2 LYS 32 lone 3 96 - 3 - HG LEU 86 - HB3 LYS 32 lone 3 96 - 3 - HG2 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HG3 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HG2 ARG 71 - HB3 ARG 84 lone 3 45 - 6 - HD3 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HD2 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HG3 ARG 70 - HB3 ARG 84 lone 2 48 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 2 49 - 5 - HD3 LYS 32 - HB3 ARG 84 lone 2 48 - 5 - HB2 LEU 86 - HB3 ARG 84 lone 2 48 - 5 - HG2 ARG 27 - HB3 LYS 32 lone 2 81 - 3 - HG2 ARG 27 - HB2 LYS 32 lone 2 81 - 3 - HG3 ARG 27 - HB3 LYS 32 lone 2 78 - 3 - HG3 ARG 27 - HB2 LYS 32 lone 2 78 - 3 - HG2 ARG 71 - HB3 ARG 82 lone 2 76 - 3 - HD2 LYS 39 - HB3 ARG 82 lone 2 46 - 4 - HD2 LYS 73 - HB2 PRO 34 lone 2 65 - 3 - HD3 LYS 73 - HB2 PRO 34 lone 2 65 - 3 - HD3 LYS 39 - HB3 ARG 82 lone 2 44 - 4 - HG2 ARG 27 - HB2 PRO 34 lone 2 45 - 4 - HG LEU 86 - HB3 ARG 84 lone 2 43 - 4 - HG3 ARG 27 - HB2 PRO 34 lone 2 44 - 4 - HG2 ARG 17 - HB3 ARG 82 lone 2 77 - 2 - HG3 ARG 17 - HB3 ARG 82 lone 2 76 - 2 - HG LEU 86 - HB2 PRO 34 lone 2 58 - 3 - HG2 ARG 26 - HB3 ARG 84 lone 1 44 - 3 - HB3 LEU 62 - HB2 PRO 34 lone 1 44 - 3 - HB3 LEU 62 - HB3 ARG 84 lone 1 32 - 4 - HG3 ARG 70 - HB3 ARG 82 lone 1 80 - 1 - HB3 LEU 51 - HB3 ARG 82 lone 1 74 - 2 - HB3 LEU 62 - HB3 ARG 82 lone 1 56 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 1 51 - 2 - HG2 ARG 84 - HB2 PRO 34 lone 1 51 - 2 - HB2 LEU 86 - HB3 ARG 82 lone 1 80 - 1 - HG LEU 86 - HB3 ARG 82 lone 1 73 - 1 - HG2 ARG 26 - HB3 ARG 82 lone 1 74 - 1 - HD2 LYS 39 - HB3 ARG 84 lone 1 25 - 3 - HD3 LYS 39 - HB3 ARG 84 lone 1 24 - 3 - HG2 ARG 17 - HB2 PRO 34 lone 1 62 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 1 61 - 1 - HB3 LEU 51 - HB3 ARG 84 lone 1 44 - 1 - HG2 ARG 27 - HB3 ARG 84 lone 1 33 - 2 - HG3 ARG 70 - HB2 PRO 34 lone 1 64 - 1 - HG3 ARG 27 - HB3 ARG 84 lone 1 32 - 2 - HG2 ARG 27 - HB3 ARG 82 lone 1 58 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 56 - 1 - Peak 1571 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 4 out of 90 assignments used, quality = 0.99: * HD3 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD3 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HG2 ARG 84 - HB3 ARG 84 OK 34 36 - 96 - 3.0=93, 1.8/3402=4...(15) HG3 ARG 84 - HB3 ARG 84 OK 34 36 - 96 - 3.0=93, 1.8/3402=4...(15) HD3 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HB3 LEU 51 - HB2 LYS 32 OK 18 95 - 19 - 2225/2.9=2, 1.8/1579=1...(6) HB3 LEU 51 - HB3 LYS 32 OK 18 95 - 19 - 2225/2.9=2, 1.8/1579=1...(6) HD3 LYS 32 - HB2 PRO 34 OK 11 65 - 16 - 3.0/1587=1, 3.0/1597=1 HD2 LYS 32 - HB2 PRO 34 poor 10 64 - 16 - 3.0/1586=1, 3.0/1597=1 HG2 ARG 71 - HB2 LYS 32 lone 10 99 - 10 - HG2 ARG 71 - HB3 LYS 32 lone 10 99 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 9 62 - 14 - HG3 ARG 70 - HB2 LYS 32 lone 9 100 - 9 - HG3 ARG 70 - HB3 LYS 32 lone 9 100 - 9 - HD2 LYS 39 - HB3 LYS 32 poor 7 60 - 12 - HD2 LYS 39 - HB2 LYS 32 poor 7 60 - 12 - HG3 ARG 84 - HB3 LYS 32 lone 6 85 - 7 - HG2 ARG 84 - HB3 LYS 32 lone 6 85 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 6 85 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 6 85 - 7 - HG2 ARG 26 - HB2 PRO 34 lone 6 61 - 9 - HB3 LEU 51 - HB2 PRO 34 poor 6 57 - 10 - ~4862=2, ~5566=1 HB2 LEU 86 - HB2 PRO 34 lone 5 64 - 7 - HG2 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG2 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG3 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HB3 LEU 62 - HB3 LYS 32 lone 4 73 - 5 - HB3 LEU 62 - HB2 LYS 32 lone 4 73 - 5 - HD3 LYS 73 - HB3 ARG 84 lone 4 48 - 8 - HD2 LYS 73 - HB3 ARG 84 lone 4 48 - 8 - HD2 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HD3 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HG2 ARG 26 - HB3 LYS 32 lone 4 98 - 4 - HG2 ARG 26 - HB2 LYS 32 lone 4 98 - 4 - HD2 LYS 39 - HB2 PRO 34 poor 4 32 - 12 - 3.0/1865=1 HG2 ARG 17 - HB3 ARG 84 lone 4 47 - 8 - HG3 ARG 17 - HB3 ARG 84 lone 4 47 - 8 - HB2 LEU 86 - HB2 LYS 32 lone 3 100 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 3 100 - 3 - HG2 ARG 71 - HB3 ARG 84 lone 3 47 - 6 - HG LEU 86 - HB2 LYS 32 lone 3 93 - 3 - HG LEU 86 - HB3 LYS 32 lone 3 93 - 3 - HG3 ARG 84 - HB3 ARG 82 lone 3 62 - 4 - HG2 ARG 84 - HB3 ARG 82 lone 3 62 - 4 - HD3 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HD2 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HG2 ARG 27 - HB3 LYS 32 lone 2 85 - 3 - HG2 ARG 27 - HB2 LYS 32 lone 2 85 - 3 - HD3 LYS 32 - HB3 ARG 84 lone 2 49 - 5 - HG3 ARG 70 - HB3 ARG 84 lone 2 49 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 2 48 - 5 - HG3 ARG 27 - HB3 LYS 32 lone 2 83 - 3 - HG3 ARG 27 - HB2 LYS 32 lone 2 83 - 3 - HB2 LEU 86 - HB3 ARG 84 lone 2 48 - 5 - HG2 ARG 71 - HB3 ARG 82 lone 2 78 - 3 - HG2 ARG 27 - HB2 PRO 34 lone 2 48 - 4 - HG3 ARG 27 - HB2 PRO 34 lone 2 47 - 4 - HD3 LYS 73 - HB2 PRO 34 lone 2 64 - 3 - HD2 LYS 73 - HB2 PRO 34 lone 2 64 - 3 - HG2 ARG 17 - HB3 ARG 82 lone 2 78 - 2 - HD2 LYS 39 - HB3 ARG 82 lone 2 41 - 4 - HG3 ARG 17 - HB3 ARG 82 lone 2 78 - 2 - HG LEU 86 - HB3 ARG 84 lone 2 41 - 4 - HG LEU 86 - HB2 PRO 34 lone 2 55 - 3 - HG2 ARG 26 - HB3 ARG 84 lone 1 45 - 3 - HB3 LEU 62 - HB2 PRO 34 lone 1 40 - 3 - HG3 ARG 70 - HB3 ARG 82 lone 1 80 - 1 - HB3 LEU 62 - HB3 ARG 84 lone 1 29 - 4 - HB3 LEU 51 - HB3 ARG 82 lone 1 71 - 2 - HB2 LEU 86 - HB3 ARG 82 lone 1 80 - 1 - HG2 ARG 84 - HB2 PRO 34 lone 1 48 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 1 48 - 2 - HB3 LEU 62 - HB3 ARG 82 lone 1 52 - 2 - HG LEU 86 - HB3 ARG 82 lone 1 70 - 1 - HG2 ARG 26 - HB3 ARG 82 lone 1 76 - 1 - HG2 ARG 17 - HB2 PRO 34 lone 1 63 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 1 62 - 1 - HG2 ARG 27 - HB3 ARG 84 lone 1 36 - 2 - HD2 LYS 39 - HB3 ARG 84 lone 1 23 - 3 - HG3 ARG 27 - HB3 ARG 84 lone 1 34 - 2 - HG2 ARG 27 - HB3 ARG 82 lone 1 62 - 1 - HB3 LEU 51 - HB3 ARG 84 lone 1 42 - 1 - HG3 ARG 70 - HB2 PRO 34 lone 1 65 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 60 - 1 - Peak 1574 from cnoeabs.peaks (7.94, 1.77, 30.20 ppm; 4.44 A): 2 out of 25 assignments used, quality = 1.00: H LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.0=100 * H LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 4.0=100 H ARG 70 - HB2 LYS 32 OK 34 96 - 35 - 1554/3.0=5, 1584/2.9=5...(13) H ARG 70 - HB3 LYS 32 OK 34 96 - 35 - 1554/3.0=5, 1584/2.9=5...(13) H LEU 29 - HB2 LYS 32 OK 33 97 - 35 - 1594/2.9=7, 1584/2.9=6...(11) H LEU 29 - HB3 LYS 32 OK 33 97 - 35 - 1594/2.9=7, 1584/2.9=6...(11) H VAL 76 - HB3 LYS 32 OK 19 85 - 23 - 1554/3.0=3, 1584/2.9=3...(9) H VAL 76 - HB2 LYS 32 OK 19 85 - 23 - 1554/3.0=3, 1584/2.9=3...(9) H ASP 67 - HB2 LYS 32 OK 14 97 - 15 - 277/3.0=3, 1584/2.9=2...(4) H ASP 67 - HB3 LYS 32 OK 14 97 - 15 - 277/3.0=3, 1584/2.9=2...(4) H LEU 29 - HB3 ARG 84 OK 11 44 - 25 - 76/4.0=5, 546/1.8=4...(7) H LYS 32 - HB2 PRO 34 poor 9 65 - 15 - 4.6/97=3, 3.0/1556=2...(8) H LEU 29 - HB3 ARG 82 poor 9 74 - 12 - ~3235=2, 548/1.8=2, 545/3.0=1 H ARG 70 - HB3 ARG 84 poor 9 43 - 21 - 5390/4.6=4, 770/1.8=3...(8) H LYS 32 - HB3 ARG 82 lone 3 80 - 4 - H VAL 76 - HB3 ARG 84 lone 3 36 - 10 - 5431/3.0=2, 907/4.0=2, 341=1 H ASP 67 - HB3 ARG 82 lone 3 75 - 4 - 5805/2.9=1 H LYS 32 - HB3 ARG 84 lone 3 49 - 6 - H LEU 29 - HB2 PRO 34 lone 3 59 - 4 - H ARG 70 - HB3 ARG 82 lone 2 73 - 3 - H ARG 70 - HB2 PRO 34 lone 2 58 - 4 - H ASP 67 - HB2 PRO 34 lone 2 60 - 4 - H VAL 76 - HB3 ARG 82 lone 2 62 - 4 - H ASP 67 - HB3 ARG 84 lone 2 45 - 4 - H VAL 76 - HB2 PRO 34 lone 2 48 - 3 - Peak 1575 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.58 A): 2 out of 50 assignments used, quality = 1.00: * HA LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 3.0=100 HA LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 3.0=100 HA ALA 28 - HB3 LYS 32 OK 37 85 - 44 - 2.1/4180=4, 1472/2.9=4...(18) HA ALA 28 - HB2 LYS 32 OK 37 85 - 44 - 2.1/4180=4, 1472/2.9=4...(18) HA GLN 61 - HB3 LYS 32 OK 20 96 - 21 - 5.7/6065=3, 1595/2.9=2...(9) HA GLN 61 - HB2 LYS 32 OK 20 96 - 21 - 5.7/6065=3, 1595/2.9=2...(9) HA ARG 70 - HB3 LYS 32 OK 18 71 - 25 - 5984/1.8=2, 1595/2.9=2...(13) HA ARG 70 - HB2 LYS 32 OK 18 71 - 25 - 5984/1.8=2, 1595/2.9=2...(13) HA VAL 76 - HB3 LYS 32 OK 15 98 - 16 - 1585/2.9=2, 1595/2.9=2...(4) HA VAL 76 - HB2 LYS 32 OK 15 98 - 16 - 1585/2.9=2, 1595/2.9=2...(4) HA LYS 32 - HB2 PRO 34 OK 15 65 - 24 - 3.6/3778=3, 1556=2...(10) HA ARG 66 - HB3 LYS 32 OK 12 100 - 12 - 3924/4.0=3, 1585/2.9=1...(4) HA ARG 66 - HB2 LYS 32 OK 12 100 - 12 - 3924/4.0=3, 1585/2.9=1...(4) HA2 GLY 72 - HB3 LYS 32 poor 10 93 - 11 - 3.6/788=2, 3.0/5841=1 HA2 GLY 72 - HB2 LYS 32 poor 10 93 - 11 - 3.6/788=2, 3.0/5841=1 HA GLU 50 - HB3 LYS 32 lone 7 95 - 7 - 561/4.0=1, 1595/2.9=1 HA GLU 50 - HB2 LYS 32 lone 7 95 - 7 - 561/4.0=1, 1595/2.9=1 HA GLN 61 - HB2 PRO 34 lone 5 58 - 8 - 5.7/6065=3, 5.7/4670=1 HA LYS 32 - HB3 ARG 82 lone 4 80 - 5 - HA2 GLY 21 - HB3 LYS 32 lone 4 71 - 5 - HA2 GLY 21 - HB2 LYS 32 lone 4 71 - 5 - HA3 GLY 21 - HB3 LYS 32 lone 4 68 - 5 - HA3 GLY 21 - HB2 LYS 32 lone 4 68 - 5 - HA ALA 28 - HB2 PRO 34 lone 3 48 - 7 - HA ARG 66 - HB2 PRO 34 lone 3 65 - 5 - HA ARG 70 - HB3 ARG 84 poor 3 28 - 11 - 5391/4.6=1, 5984=1...(4) HA LYS 32 - HB3 ARG 84 lone 3 49 - 6 - HA VAL 76 - HB3 ARG 84 lone 3 45 - 6 - HA ARG 66 - HB3 ARG 82 lone 2 80 - 3 - HA ALA 28 - HB3 ARG 84 lone 2 36 - 5 - 1470/4.0=1 HA2 GLY 72 - HB3 ARG 84 lone 2 41 - 4 - 6034/4.6=2 HA ALA 28 - HB3 ARG 82 lone 2 62 - 3 - HA VAL 76 - HB3 ARG 82 lone 2 76 - 2 - HA2 GLY 72 - HB2 PRO 34 lone 2 55 - 3 - HA GLN 61 - HB3 ARG 82 lone 1 73 - 2 - HA2 GLY 72 - HB3 ARG 82 lone 1 70 - 2 - HA ARG 70 - HB3 ARG 82 lone 1 50 - 2 - HA GLU 50 - HB2 PRO 34 lone 1 57 - 2 - HA VAL 76 - HB2 PRO 34 lone 1 61 - 2 - HA ARG 70 - HB2 PRO 34 lone 1 38 - 2 - HA ARG 66 - HB3 ARG 84 lone 1 49 - 2 - HA2 GLY 21 - HB2 PRO 34 lone 1 38 - 2 - HA3 GLY 21 - HB2 PRO 34 lone 1 37 - 2 - HA GLU 50 - HB3 ARG 82 lone 1 71 - 1 - HA2 GLY 21 - HB3 ARG 82 lone 1 50 - 1 - HA GLU 50 - HB3 ARG 84 lone 1 42 - 1 - HA GLN 61 - HB3 ARG 84 lone 1 43 - 1 - HA3 GLY 21 - HB3 ARG 82 lone 0 48 - 1 - HA2 GLY 21 - HB3 ARG 84 lone 0 28 - 1 - HA3 GLY 21 - HB3 ARG 84 lone 0 27 - 1 - Peak 1576 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 HB2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 HB3 ARG 82 + HB3 ARG 82 OK 77 77 - 100 HB2 PRO 34 + HB2 PRO 34 OK 63 63 - 100 HB3 ARG 84 - HB3 ARG 84 OK 23 23 - 100 Reference assignment not found: HB2 LYS 32 - HB3 LYS 32 Peak 1577 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HB3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 HB2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 HB3 ARG 82 + HB3 ARG 82 OK 77 77 - 100 HB2 PRO 34 + HB2 PRO 34 OK 63 63 - 100 HB3 ARG 84 - HB3 ARG 84 OK 23 23 - 100 Peak 1578 from cnoeabs.peaks (1.28, 1.77, 30.20 ppm; 3.87 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 2.9=100 HG2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 2.9=100 HG2 ARG 54 - HB3 LYS 32 OK 40 76 - 53 - 1558/3.0=6, 1598/2.9=5...(28) HG2 ARG 54 - HB2 LYS 32 OK 40 76 - 53 - 1558/3.0=6, 1598/2.9=5...(28) HG2 LYS 32 - HB2 PRO 34 OK 20 65 - 31 - 1586=3, 1.8/1596=2...(17) HG2 ARG 54 - HB2 PRO 34 OK 11 42 - 26 - 2325=2, 2325/2.3=2...(6) HG2 ARG 54 - HB3 ARG 82 poor 10 54 - 18 - 3.0/2317=2, ~5480=2...(9) QG2 THR 58 - HB2 LYS 32 poor 6 60 - 11 - 564/4.0=3, 1558/3.0=2, 4.0/227=1 QG2 THR 58 - HB3 LYS 32 poor 6 60 - 11 - 564/4.0=3, 1558/3.0=2, 4.0/227=1 HG2 LYS 32 - HB3 ARG 82 lone 5 80 - 6 - HG2 LYS 32 - HB3 ARG 84 lone 5 49 - 10 - HG2 ARG 54 - HB3 ARG 84 lone 1 31 - 4 - QG2 THR 58 - HB2 PRO 34 lone 1 32 - 3 - QG2 THR 58 - HB3 ARG 82 lone 0 41 - 1 - QG2 THR 58 - HB3 ARG 84 lone 0 23 - 1 - Peak 1579 from cnoeabs.peaks (1.33, 1.77, 30.20 ppm; 3.61 A): 4 out of 35 assignments used, quality = 1.00: HG3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 2.9=100 * HG3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 2.9=100 QB ALA 28 + HB2 LYS 32 OK 54 97 - 56 - 5303/4.3=16, 1559/3.0=6...(20) QB ALA 28 + HB3 LYS 32 OK 54 97 - 56 - 5303/4.3=16, 1559/3.0=6...(20) HB2 LEU 51 - HB3 LYS 32 OK 38 99 - 38 - 1589/2.9=3, 1559/3.0=3...(22) HB2 LEU 51 - HB2 LYS 32 OK 38 99 - 38 - 1589/2.9=3, 1559/3.0=3...(22) HG2 ARG 54 - HB3 LYS 32 OK 34 78 - 43 - 2325=4, 3.0/2317=3...(20) HG2 ARG 54 - HB2 LYS 32 OK 34 78 - 43 - 2325=4, 3.0/2317=3...(20) HB2 LEU 52 - HB3 LYS 32 OK 22 99 - 22 - 1559/3.0=2, 100/4.3=2...(8) HB2 LEU 52 - HB2 LYS 32 OK 22 99 - 22 - 1559/3.0=2, 100/4.3=2...(8) HG3 LYS 32 - HB2 PRO 34 OK 18 65 - 28 - 1597=3, 1.8/1587=2...(12) HB2 LEU 51 - HB2 PRO 34 OK 12 62 - 19 - ~4862=3, ~5566=2...(8) HG2 ARG 54 - HB2 PRO 34 OK 10 44 - 23 - 2325=2, 2325/2.3=2...(4) QG2 THR 58 - HB2 LYS 32 poor 9 90 - 10 - 565/4.0=2, 1559/3.0=1 QG2 THR 58 - HB3 LYS 32 poor 9 90 - 10 - 565/4.0=2, 1559/3.0=1 HG2 ARG 54 - HB3 ARG 82 poor 9 56 - 16 - 3.0/2317=2, 2325=2...(4) QB ALA 28 - HB2 PRO 34 poor 6 60 - 10 - 4179/1660=1, 5303/3778=1 HG3 LYS 32 - HB3 ARG 84 lone 4 49 - 9 - HG3 LYS 32 - HB3 ARG 82 lone 4 80 - 5 - QB ALA 12 - HB2 LYS 32 lone 4 100 - 3 - QB ALA 12 - HB3 LYS 32 lone 4 100 - 3 - HB2 LEU 52 - HB2 PRO 34 lone 3 62 - 5 - QB ALA 28 - HB3 ARG 82 lone 3 75 - 4 - QB ALA 28 - HB3 ARG 84 lone 3 45 - 6 - 1473/4.0=1 HB2 LEU 51 - HB3 ARG 82 lone 2 78 - 3 - QG2 THR 58 - HB2 PRO 34 lone 2 53 - 4 - 5755/6065=1 HB2 LEU 51 - HB3 ARG 84 lone 2 47 - 3 - HB2 LEU 52 - HB3 ARG 82 lone 1 78 - 2 - QB ALA 12 - HB2 PRO 34 lone 1 64 - 2 - HG2 ARG 54 - HB3 ARG 84 lone 1 32 - 3 - HB2 LEU 52 - HB3 ARG 84 lone 1 47 - 2 - QB ALA 12 - HB3 ARG 82 lone 1 80 - 1 - QB ALA 12 - HB3 ARG 84 lone 1 48 - 2 - QG2 THR 58 - HB3 ARG 82 lone 1 67 - 1 - QG2 THR 58 - HB3 ARG 84 lone 0 39 - 1 - Peak 1580 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 4 out of 95 assignments used, quality = 0.99: HD3 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD3 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) * HD2 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HG3 ARG 84 - HB3 ARG 84 OK 36 38 - 96 - 3.0=93, 1.8/3402=4...(15) HG2 ARG 84 - HB3 ARG 84 OK 36 38 - 96 - 3.0=93, 1.8/3402=4...(15) HD2 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HB3 LEU 51 - HB2 LYS 32 OK 18 97 - 19 - 2225/2.9=2, 1.8/1569=1...(6) HB3 LEU 51 - HB3 LYS 32 OK 18 97 - 19 - 2225/2.9=2, 1.8/1569=1...(6) HD3 LYS 32 - HB2 PRO 34 OK 10 64 - 16 - 3.0/1586=1, 3.0/1596=1 HD2 LYS 32 - HB2 PRO 34 OK 10 65 - 16 - 3.0/1586=1, 3.0/1597=1 HG2 ARG 71 - HB3 LYS 32 lone 10 98 - 10 - HG2 ARG 71 - HB2 LYS 32 lone 10 98 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 9 61 - 14 - HG3 ARG 70 - HB2 LYS 32 lone 9 100 - 9 - HG3 ARG 70 - HB3 LYS 32 lone 9 100 - 9 - HD3 LYS 39 - HB3 LYS 32 poor 8 63 - 13 - HD3 LYS 39 - HB2 LYS 32 poor 8 63 - 13 - HD2 LYS 39 - HB3 LYS 32 poor 8 65 - 12 - HD2 LYS 39 - HB2 LYS 32 poor 8 65 - 12 - HG2 ARG 84 - HB3 LYS 32 lone 6 89 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 6 89 - 7 - HG3 ARG 84 - HB3 LYS 32 lone 6 89 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 6 89 - 7 - HB3 LEU 51 - HB2 PRO 34 poor 6 59 - 10 - ~4862=2, ~5566=1 HG2 ARG 26 - HB2 PRO 34 lone 6 59 - 9 - HB2 LEU 86 - HB2 PRO 34 lone 5 64 - 7 - HG2 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG2 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HB3 LEU 62 - HB3 LYS 32 lone 4 78 - 5 - HB3 LEU 62 - HB2 LYS 32 lone 4 78 - 5 - HG3 ARG 17 - HB2 LYS 32 lone 4 98 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 4 98 - 4 - HD2 LYS 39 - HB2 PRO 34 poor 4 35 - 12 - 3.0/1865=1 HD2 LYS 73 - HB3 ARG 84 lone 4 49 - 8 - HD3 LYS 73 - HB3 ARG 84 lone 4 49 - 8 - HD3 LYS 39 - HB2 PRO 34 poor 4 33 - 12 - 3.0/1865=1 HD2 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HD3 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HG2 ARG 26 - HB3 LYS 32 lone 4 97 - 4 - HG2 ARG 26 - HB2 LYS 32 lone 4 97 - 4 - HG2 ARG 17 - HB3 ARG 84 lone 4 46 - 8 - HB2 LEU 86 - HB2 LYS 32 lone 3 100 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 3 100 - 3 - HG3 ARG 17 - HB3 ARG 84 lone 3 45 - 8 - HG LEU 86 - HB2 LYS 32 lone 3 96 - 3 - HG LEU 86 - HB3 LYS 32 lone 3 96 - 3 - HG2 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HG3 ARG 84 - HB3 ARG 82 lone 3 65 - 5 - HG2 ARG 71 - HB3 ARG 84 lone 3 45 - 6 - HD3 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HD2 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HG3 ARG 70 - HB3 ARG 84 lone 2 48 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 2 49 - 5 - HD3 LYS 32 - HB3 ARG 84 lone 2 48 - 5 - HB2 LEU 86 - HB3 ARG 84 lone 2 48 - 5 - HG2 ARG 27 - HB3 LYS 32 lone 2 81 - 3 - HG2 ARG 27 - HB2 LYS 32 lone 2 81 - 3 - HG3 ARG 27 - HB3 LYS 32 lone 2 78 - 3 - HG3 ARG 27 - HB2 LYS 32 lone 2 78 - 3 - HG2 ARG 71 - HB3 ARG 82 lone 2 76 - 3 - HD2 LYS 39 - HB3 ARG 82 lone 2 46 - 4 - HD2 LYS 73 - HB2 PRO 34 lone 2 65 - 3 - HD3 LYS 73 - HB2 PRO 34 lone 2 65 - 3 - HD3 LYS 39 - HB3 ARG 82 lone 2 44 - 4 - HG2 ARG 27 - HB2 PRO 34 lone 2 45 - 4 - HG LEU 86 - HB3 ARG 84 lone 2 43 - 4 - HG3 ARG 27 - HB2 PRO 34 lone 2 44 - 4 - HG2 ARG 17 - HB3 ARG 82 lone 2 77 - 2 - HG3 ARG 17 - HB3 ARG 82 lone 2 76 - 2 - HG LEU 86 - HB2 PRO 34 lone 2 58 - 3 - HG2 ARG 26 - HB3 ARG 84 lone 1 44 - 3 - HB3 LEU 62 - HB2 PRO 34 lone 1 44 - 3 - HB3 LEU 62 - HB3 ARG 84 lone 1 32 - 4 - HG3 ARG 70 - HB3 ARG 82 lone 1 80 - 1 - HB3 LEU 51 - HB3 ARG 82 lone 1 74 - 2 - HB3 LEU 62 - HB3 ARG 82 lone 1 56 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 1 51 - 2 - HG2 ARG 84 - HB2 PRO 34 lone 1 51 - 2 - HB2 LEU 86 - HB3 ARG 82 lone 1 80 - 1 - HG LEU 86 - HB3 ARG 82 lone 1 73 - 1 - HG2 ARG 26 - HB3 ARG 82 lone 1 74 - 1 - HD2 LYS 39 - HB3 ARG 84 lone 1 25 - 3 - HD3 LYS 39 - HB3 ARG 84 lone 1 24 - 3 - HG2 ARG 17 - HB2 PRO 34 lone 1 62 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 1 61 - 1 - HB3 LEU 51 - HB3 ARG 84 lone 1 44 - 1 - HG2 ARG 27 - HB3 ARG 84 lone 1 33 - 2 - HG3 ARG 70 - HB2 PRO 34 lone 1 64 - 1 - HG3 ARG 27 - HB3 ARG 84 lone 1 32 - 2 - HG2 ARG 27 - HB3 ARG 82 lone 1 58 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 56 - 1 - Peak 1581 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 4 out of 90 assignments used, quality = 0.99: HD3 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) * HD3 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB2 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HD2 LYS 32 + HB3 LYS 32 OK 73 100 - 73 - 3.5=57, ~1558=4...(15) HG2 ARG 84 - HB3 ARG 84 OK 34 36 - 96 - 3.0=93, 1.8/3402=4...(15) HG3 ARG 84 - HB3 ARG 84 OK 34 36 - 96 - 3.0=93, 1.8/3402=4...(15) HD3 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD2 LYS 73 - HB3 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HD3 LYS 73 - HB2 LYS 32 OK 31 100 - 31 - 1601/2.9=2, 1591/2.9=2...(8) HB3 LEU 51 - HB2 LYS 32 OK 18 95 - 19 - 2225/2.9=2, 1.8/1579=1...(6) HB3 LEU 51 - HB3 LYS 32 OK 18 95 - 19 - 2225/2.9=2, 1.8/1579=1...(6) HD3 LYS 32 - HB2 PRO 34 OK 11 65 - 16 - 3.0/1587=1, 3.0/1597=1 HD2 LYS 32 - HB2 PRO 34 poor 10 64 - 16 - 3.0/1586=1, 3.0/1597=1 HG2 ARG 71 - HB2 LYS 32 lone 10 99 - 10 - HG2 ARG 71 - HB3 LYS 32 lone 10 99 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 9 62 - 14 - HG3 ARG 70 - HB2 LYS 32 lone 9 100 - 9 - HG3 ARG 70 - HB3 LYS 32 lone 9 100 - 9 - HD2 LYS 39 - HB3 LYS 32 poor 7 60 - 12 - HD2 LYS 39 - HB2 LYS 32 poor 7 60 - 12 - HG3 ARG 84 - HB3 LYS 32 lone 6 85 - 7 - HG2 ARG 84 - HB3 LYS 32 lone 6 85 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 6 85 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 6 85 - 7 - HG2 ARG 26 - HB2 PRO 34 lone 6 61 - 9 - HB3 LEU 51 - HB2 PRO 34 poor 6 57 - 10 - ~4862=2, ~5566=1 HB2 LEU 86 - HB2 PRO 34 lone 5 64 - 7 - HG2 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG2 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 4 99 - 4 - HG3 ARG 17 - HB2 LYS 32 lone 4 99 - 4 - HB3 LEU 62 - HB3 LYS 32 lone 4 73 - 5 - HB3 LEU 62 - HB2 LYS 32 lone 4 73 - 5 - HD3 LYS 73 - HB3 ARG 84 lone 4 48 - 8 - HD2 LYS 73 - HB3 ARG 84 lone 4 48 - 8 - HD2 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HD3 LYS 73 - HB3 ARG 82 lone 4 80 - 5 - HG2 ARG 26 - HB3 LYS 32 lone 4 98 - 4 - HG2 ARG 26 - HB2 LYS 32 lone 4 98 - 4 - HD2 LYS 39 - HB2 PRO 34 poor 4 32 - 12 - 3.0/1865=1 HG2 ARG 17 - HB3 ARG 84 lone 4 47 - 8 - HG3 ARG 17 - HB3 ARG 84 lone 4 47 - 8 - HB2 LEU 86 - HB2 LYS 32 lone 3 100 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 3 100 - 3 - HG2 ARG 71 - HB3 ARG 84 lone 3 47 - 6 - HG LEU 86 - HB2 LYS 32 lone 3 93 - 3 - HG LEU 86 - HB3 LYS 32 lone 3 93 - 3 - HG3 ARG 84 - HB3 ARG 82 lone 3 62 - 4 - HG2 ARG 84 - HB3 ARG 82 lone 3 62 - 4 - HD3 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HD2 LYS 32 - HB3 ARG 82 lone 2 80 - 3 - HG2 ARG 27 - HB3 LYS 32 lone 2 85 - 3 - HG2 ARG 27 - HB2 LYS 32 lone 2 85 - 3 - HD3 LYS 32 - HB3 ARG 84 lone 2 49 - 5 - HG3 ARG 70 - HB3 ARG 84 lone 2 49 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 2 48 - 5 - HG3 ARG 27 - HB3 LYS 32 lone 2 83 - 3 - HG3 ARG 27 - HB2 LYS 32 lone 2 83 - 3 - HB2 LEU 86 - HB3 ARG 84 lone 2 48 - 5 - HG2 ARG 71 - HB3 ARG 82 lone 2 78 - 3 - HG2 ARG 27 - HB2 PRO 34 lone 2 48 - 4 - HG3 ARG 27 - HB2 PRO 34 lone 2 47 - 4 - HD3 LYS 73 - HB2 PRO 34 lone 2 64 - 3 - HD2 LYS 73 - HB2 PRO 34 lone 2 64 - 3 - HG2 ARG 17 - HB3 ARG 82 lone 2 78 - 2 - HD2 LYS 39 - HB3 ARG 82 lone 2 41 - 4 - HG3 ARG 17 - HB3 ARG 82 lone 2 78 - 2 - HG LEU 86 - HB3 ARG 84 lone 2 41 - 4 - HG LEU 86 - HB2 PRO 34 lone 2 55 - 3 - HG2 ARG 26 - HB3 ARG 84 lone 1 45 - 3 - HB3 LEU 62 - HB2 PRO 34 lone 1 40 - 3 - HG3 ARG 70 - HB3 ARG 82 lone 1 80 - 1 - HB3 LEU 62 - HB3 ARG 84 lone 1 29 - 4 - HB3 LEU 51 - HB3 ARG 82 lone 1 71 - 2 - HB2 LEU 86 - HB3 ARG 82 lone 1 80 - 1 - HG2 ARG 84 - HB2 PRO 34 lone 1 48 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 1 48 - 2 - HB3 LEU 62 - HB3 ARG 82 lone 1 52 - 2 - HG LEU 86 - HB3 ARG 82 lone 1 70 - 1 - HG2 ARG 26 - HB3 ARG 82 lone 1 76 - 1 - HG2 ARG 17 - HB2 PRO 34 lone 1 63 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 1 62 - 1 - HG2 ARG 27 - HB3 ARG 84 lone 1 36 - 2 - HD2 LYS 39 - HB3 ARG 84 lone 1 23 - 3 - HG3 ARG 27 - HB3 ARG 84 lone 1 34 - 2 - HG2 ARG 27 - HB3 ARG 82 lone 1 62 - 1 - HB3 LEU 51 - HB3 ARG 84 lone 1 42 - 1 - HG3 ARG 70 - HB2 PRO 34 lone 1 65 - 1 - HG3 ARG 27 - HB3 ARG 82 lone 1 60 - 1 - Peak 1584 from cnoeabs.peaks (7.94, 1.28, 24.60 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.94: * H LYS 32 + HG2 LYS 32 OK 91 100 - 91 - 4.9=63, 3.0/1558=28...(16) H LEU 29 + HG2 LYS 32 OK 28 97 - 29 - 1594/1.8=8, 3.6/1589=5...(9) H ARG 70 - HG2 LYS 32 OK 25 96 - 26 - 1594/1.8=5, 1554/3.9=4...(10) H VAL 76 - HG2 LYS 32 OK 14 85 - 16 - 1594/1.8=3, 3.0/1585=2...(6) H ASP 67 - HG2 LYS 32 OK 12 97 - 12 - 1594/1.8=3, 277/3.9=2...(4) Peak 1585 from cnoeabs.peaks (3.98, 1.28, 24.60 ppm; 3.91 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.9=100 HA ALA 28 - HG2 LYS 32 OK 33 85 - 39 - 1472/1.8=6, 2.1/1589=6...(13) HA GLN 61 - HG2 LYS 32 OK 19 96 - 20 - 1595/1.8=4, ~4658=2...(11) HA ARG 70 - HG2 LYS 32 OK 17 71 - 23 - 2.9/1584=4, 1595/1.8=3...(9) HA VAL 76 - HG2 LYS 32 OK 14 98 - 14 - 1595/1.8=2, 3.0/1584=2...(4) HA ARG 66 - HG2 LYS 32 OK 12 100 - 12 - 3924/4.9=2, 3.6/3779=2 HA2 GLY 72 - HG2 LYS 32 lone 7 93 - 8 - 1595/1.8=1 HA GLU 50 - HG2 LYS 32 lone 7 95 - 7 - 1595/1.8=2, 561/4.9=1 HA2 GLY 21 - HG2 LYS 32 lone 4 71 - 5 - HA3 GLY 21 - HG2 LYS 32 lone 3 68 - 5 - Peak 1586 from cnoeabs.peaks (1.77, 1.28, 24.60 ppm; 3.34 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HB2 ARG 54 - HG2 LYS 32 OK 32 99 - 32 - 1597/1.8=3, 1.8/2319=3...(15) HB ILE 33 - HG2 LYS 32 OK 26 100 - 26 - 3.9/3779=13, 4219/1.8=3...(6) HB3 LYS 73 - HG2 LYS 32 OK 24 100 - 25 - 3.5/1591=2, 3.5/1591=2...(6) HG2 PRO 34 - HG2 LYS 32 OK 22 93 - 24 - 1597/1.8=2, 2.3/1578=1...(8) HB2 PRO 34 - HG2 LYS 32 OK 22 99 - 22 - 1597/1.8=2, 1578=2...(5) HB3 LYS 39 - HG2 LYS 32 OK 12 98 - 13 - 1597/1.8=1 HG3 ARG 71 - HG2 LYS 32 OK 10 78 - 13 - 1.8/1591=1, 2932/3.0=1...(4) HB2 LEU 57 - HG2 LYS 32 lone 9 99 - 9 - 1597/1.8=1 HB3 LYS 75 - HG2 LYS 32 lone 9 93 - 9 - 4.6/1584=1 HB3 ARG 82 - HG2 LYS 32 lone 4 99 - 4 - HB3 ARG 84 - HG2 LYS 32 lone 4 60 - 7 - HB2 ARG 69 - HG2 LYS 32 lone 4 60 - 7 - 4.3/1584=2 HB2 LEU 62 - HG2 LYS 32 lone 4 65 - 6 - HB2 LYS 13 - HG2 LYS 32 lone 4 90 - 4 - HG3 ARG 26 - HG2 LYS 32 lone 3 71 - 5 - HB3 ARG 17 - HG2 LYS 32 lone 2 57 - 4 - HB2 LYS 83 - HG2 LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HG2 LYS 32 lone 2 60 - 3 - Peak 1587 from cnoeabs.peaks (1.77, 1.28, 24.60 ppm; 3.34 A): 2 out of 20 assignments used, quality = 1.00: HB2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 * HB3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 2.9=100 HB2 ARG 54 - HG2 LYS 32 OK 32 99 - 32 - 1597/1.8=3, 1.8/2319=3...(15) HB ILE 33 - HG2 LYS 32 OK 26 100 - 26 - 3.9/3779=13, 4219/1.8=3...(6) HB3 LYS 73 - HG2 LYS 32 OK 24 100 - 25 - 3.5/1591=2, 3.5/1591=2...(6) HG2 PRO 34 - HG2 LYS 32 OK 22 93 - 24 - 1597/1.8=2, 2.3/1578=1...(8) HB2 PRO 34 - HG2 LYS 32 OK 22 99 - 22 - 1597/1.8=2, 1578=2...(5) HB3 LYS 39 - HG2 LYS 32 OK 12 98 - 13 - 1597/1.8=1 HG3 ARG 71 - HG2 LYS 32 OK 10 78 - 13 - 1.8/1591=1, 2932/3.0=1...(4) HB2 LEU 57 - HG2 LYS 32 lone 9 99 - 9 - 1597/1.8=1 HB3 LYS 75 - HG2 LYS 32 lone 9 93 - 9 - 4.6/1584=1 HB3 ARG 82 - HG2 LYS 32 lone 4 99 - 4 - HB3 ARG 84 - HG2 LYS 32 lone 4 60 - 7 - HB2 ARG 69 - HG2 LYS 32 lone 4 60 - 7 - 4.3/1584=2 HB2 LEU 62 - HG2 LYS 32 lone 4 65 - 6 - HB2 LYS 13 - HG2 LYS 32 lone 4 90 - 4 - HG3 ARG 26 - HG2 LYS 32 lone 3 71 - 5 - HB3 ARG 17 - HG2 LYS 32 lone 2 57 - 4 - HB2 LYS 83 - HG2 LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HG2 LYS 32 lone 2 60 - 3 - Peak 1588 from cnoeabs.peaks (1.28, 1.28, 24.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 Peak 1589 from cnoeabs.peaks (1.33, 1.28, 24.60 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 1.8=100 QB ALA 28 - HG2 LYS 32 OK 18 97 - 19 - 5303/3779=3, 1559/3.9=2...(9) HB2 LEU 51 - HG2 LYS 32 OK 13 99 - 13 - ~2225=1 HG2 ARG 54 - HG2 LYS 32 OK 11 78 - 14 - 2325/2.9=1, 2325/2.9=1...(4) HB2 LEU 52 - HG2 LYS 32 lone 6 99 - 6 - QG2 THR 58 - HG2 LYS 32 lone 3 90 - 3 - QB ALA 12 - HG2 LYS 32 lone 1 100 - 1 - Peak 1590 from cnoeabs.peaks (1.61, 1.28, 24.60 ppm; 3.66 A): 2 out of 19 assignments used, quality = 1.00: * HD2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 73 - HG2 LYS 32 OK 45 100 - 45 - 1601/1.8=4, 1618=4...(17) HD2 LYS 73 - HG2 LYS 32 OK 45 100 - 45 - 1601/1.8=4, 1618=4...(17) HB3 LEU 51 - HG2 LYS 32 OK 27 97 - 28 - 1.8/1589=4, 2225/1.8=4...(11) HG2 ARG 71 - HG2 LYS 32 OK 15 98 - 15 - 1618=1, 1601/1.8=1, 1.8/1587=1 HD3 LYS 39 - HG2 LYS 32 OK 12 63 - 18 - 1608=1, 1600/1.8=1 HD2 LYS 39 - HG2 LYS 32 OK 11 65 - 17 - HG3 ARG 70 - HG2 LYS 32 OK 10 100 - 10 - 4.9/1584=2, 4.0/1585=2...(4) HG2 ARG 84 - HG2 LYS 32 lone 8 89 - 9 - HG3 ARG 84 - HG2 LYS 32 lone 8 89 - 9 - HG2 ARG 17 - HG2 LYS 32 lone 6 99 - 6 - HG3 ARG 17 - HG2 LYS 32 lone 6 98 - 6 - HB3 LEU 62 - HG2 LYS 32 lone 6 78 - 7 - HG2 ARG 26 - HG2 LYS 32 lone 5 97 - 5 - HB2 LEU 86 - HG2 LYS 32 lone 5 100 - 5 - HG LEU 86 - HG2 LYS 32 lone 4 96 - 4 - HG2 ARG 27 - HG2 LYS 32 lone 3 81 - 3 - HG3 ARG 27 - HG2 LYS 32 lone 3 78 - 3 - Peak 1591 from cnoeabs.peaks (1.61, 1.28, 24.60 ppm; 3.66 A): 2 out of 18 assignments used, quality = 1.00: * HD3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 73 - HG2 LYS 32 OK 45 100 - 45 - 1601/1.8=4, 1618=4...(17) HD2 LYS 73 - HG2 LYS 32 OK 45 100 - 45 - 1601/1.8=4, 1618=4...(17) HB3 LEU 51 - HG2 LYS 32 OK 26 95 - 28 - 1.8/1589=4, 2225/1.8=4...(11) HG2 ARG 71 - HG2 LYS 32 OK 15 99 - 15 - 1618=1, 1601/1.8=1, 1.8/1587=1 HG3 ARG 70 - HG2 LYS 32 OK 10 100 - 10 - 4.9/1584=2, 4.0/1585=2...(4) HD2 LYS 39 - HG2 LYS 32 OK 10 60 - 17 - HG2 ARG 84 - HG2 LYS 32 lone 8 85 - 9 - HG3 ARG 84 - HG2 LYS 32 lone 8 85 - 9 - HG2 ARG 17 - HG2 LYS 32 lone 6 99 - 6 - HG3 ARG 17 - HG2 LYS 32 lone 6 99 - 6 - HB3 LEU 62 - HG2 LYS 32 lone 5 73 - 7 - HG2 ARG 26 - HG2 LYS 32 lone 5 98 - 5 - HB2 LEU 86 - HG2 LYS 32 lone 5 100 - 5 - HG LEU 86 - HG2 LYS 32 lone 4 93 - 4 - HG2 ARG 27 - HG2 LYS 32 lone 3 85 - 3 - HG3 ARG 27 - HG2 LYS 32 lone 3 83 - 3 - Peak 1592 from cnoeabs.peaks (2.95, 1.28, 24.60 ppm; 4.30 A): 4 out of 12 assignments used, quality = 1.00: * HE2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 73 + HG2 LYS 32 OK 50 100 - 51 - 1628=5, 1602/1.8=5...(16) HE2 LYS 73 + HG2 LYS 32 OK 50 100 - 51 - 1628=5, 1602/1.8=5...(16) HE3 LYS 75 - HG2 LYS 32 OK 21 99 - 21 - 1628=2, 1603/1.8=2...(5) HE2 LYS 75 - HG2 LYS 32 OK 21 99 - 21 - 1628=2, 1603/1.8=2...(5) HB3 TYR 55 - HG2 LYS 32 OK 17 93 - 18 - ~4663=3, ~4247=2...(11) HE2 LYS 39 - HG2 LYS 32 OK 15 73 - 20 - 1603/1.8=1, 1638=1...(4) HE3 LYS 39 - HG2 LYS 32 OK 14 68 - 20 - 1603/1.8=1, 1638=1...(6) HE3 LYS 13 - HG2 LYS 32 OK 12 95 - 13 - 1603/1.8=1, 1638=1, 1.8/1638=1 HE2 LYS 13 - HG2 LYS 32 OK 12 93 - 13 - 1603/1.8=1, 1638=1, 1.8/1638=1 HB3 TYR 81 - HG2 LYS 32 lone 2 68 - 3 - Peak 1593 from cnoeabs.peaks (2.95, 1.28, 24.60 ppm; 4.30 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.9=100 HE2 LYS 32 + HG2 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 73 + HG2 LYS 32 OK 50 100 - 51 - 1628=5, 1602/1.8=5...(16) HE2 LYS 73 + HG2 LYS 32 OK 50 100 - 51 - 1628=5, 1602/1.8=5...(16) HE3 LYS 75 - HG2 LYS 32 OK 21 99 - 21 - 1628=2, 1603/1.8=2...(5) HE2 LYS 75 - HG2 LYS 32 OK 21 99 - 21 - 1628=2, 1603/1.8=2...(5) HB3 TYR 55 - HG2 LYS 32 OK 17 92 - 18 - ~4663=3, ~4247=2...(11) HE2 LYS 39 - HG2 LYS 32 OK 15 76 - 20 - 1603/1.8=1, 1638=1...(4) HE3 LYS 39 - HG2 LYS 32 OK 14 71 - 20 - 1603/1.8=1, 1638=1...(6) HE3 LYS 13 - HG2 LYS 32 OK 13 96 - 13 - 1603/1.8=1, 1638=1, 1.8/1638=1 HE2 LYS 13 - HG2 LYS 32 OK 12 95 - 13 - 1603/1.8=1, 1638=1, 1.8/1638=1 HB3 TYR 81 - HG2 LYS 32 lone 2 71 - 3 - Peak 1594 from cnoeabs.peaks (7.94, 1.33, 24.60 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.94: * H LYS 32 + HG3 LYS 32 OK 91 100 - 91 - 4.9=65, 564/1.8=30...(16) H LEU 29 + HG3 LYS 32 OK 37 97 - 38 - 78=7, 1584/1.8=6...(12) H ARG 70 - HG3 LYS 32 OK 26 96 - 27 - 1584/1.8=6, 1554/3.9=4...(10) H VAL 76 - HG3 LYS 32 OK 15 85 - 17 - 1584/1.8=3, 3.0/1595=2...(6) H ASP 67 - HG3 LYS 32 OK 13 97 - 13 - 1584/1.8=3, 277/3.9=2...(4) Peak 1595 from cnoeabs.peaks (3.98, 1.33, 24.60 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.98: * HA LYS 32 + HG3 LYS 32 OK 98 100 - 98 - 3.9=95, 1558/1.8=31...(19) HA ALA 28 - HG3 LYS 32 OK 35 85 - 42 - 1472=7, 1585/1.8=5...(11) HA GLN 61 - HG3 LYS 32 OK 20 96 - 21 - 1585/1.8=3, 3.0/4658=3...(9) HA ARG 70 - HG3 LYS 32 OK 16 71 - 23 - 2.9/1594=4, 1585/1.8=3...(9) HA VAL 76 - HG3 LYS 32 OK 14 98 - 14 - 1585/1.8=2, 3.0/1594=2...(4) HA ARG 66 - HG3 LYS 32 OK 11 100 - 11 - 3924/4.9=2, 1585/1.8=2 HA GLU 50 - HG3 LYS 32 lone 9 95 - 9 - 3.6/659=2, 1585/1.8=1 HA2 GLY 72 - HG3 LYS 32 lone 7 93 - 7 - 1585/1.8=1 HA2 GLY 21 - HG3 LYS 32 lone 4 71 - 5 - HA3 GLY 21 - HG3 LYS 32 lone 3 68 - 5 - Peak 1596 from cnoeabs.peaks (1.77, 1.33, 24.60 ppm; 3.22 A): 2 out of 20 assignments used, quality = 1.00: * HB2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HB2 ARG 54 - HG3 LYS 32 OK 32 99 - 32 - 3.0/1598=4, 1.8/2319=3...(11) HB3 LYS 73 - HG3 LYS 32 OK 23 100 - 23 - 3.5/1601=2, 3.5/1601=2...(6) HG2 PRO 34 - HG3 LYS 32 OK 21 93 - 23 - 1586/1.8=2, ~1711=1...(6) HB ILE 33 - HG3 LYS 32 OK 21 100 - 21 - 3.9/100=4, 4219=4...(7) HB2 PRO 34 - HG3 LYS 32 OK 20 99 - 20 - 1586/1.8=2, 1569=1, ~1711=1 HB3 LYS 39 - HG3 LYS 32 OK 12 98 - 12 - 1586/1.8=1 HG3 ARG 71 - HG3 LYS 32 OK 11 78 - 13 - 1.8/1601=1 HB2 LEU 57 - HG3 LYS 32 OK 11 99 - 11 - 3.1/5750=1, 3.1/4986=1 HB3 LYS 75 - HG3 LYS 32 lone 8 93 - 9 - HB2 LEU 62 - HG3 LYS 32 lone 5 65 - 7 - 3.1/5004=1 HB2 LYS 13 - HG3 LYS 32 lone 4 90 - 5 - HB3 ARG 84 - HG3 LYS 32 lone 4 60 - 7 - HB3 ARG 82 - HG3 LYS 32 lone 4 99 - 4 - HB2 ARG 69 - HG3 LYS 32 lone 4 60 - 6 - 4.3/1594=2 HG3 ARG 26 - HG3 LYS 32 lone 3 71 - 5 - HB3 ARG 17 - HG3 LYS 32 lone 2 57 - 4 - HB2 LYS 83 - HG3 LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HG3 LYS 32 lone 1 60 - 2 - Peak 1597 from cnoeabs.peaks (1.77, 1.33, 24.60 ppm; 3.22 A): 2 out of 20 assignments used, quality = 1.00: HB2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 * HB3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 2.9=100 HB2 ARG 54 - HG3 LYS 32 OK 32 99 - 32 - 3.0/1598=4, 1.8/2319=3...(11) HB3 LYS 73 - HG3 LYS 32 OK 23 100 - 23 - 3.5/1601=2, 3.5/1601=2...(6) HG2 PRO 34 - HG3 LYS 32 OK 21 93 - 23 - 1586/1.8=2, ~1711=1...(6) HB ILE 33 - HG3 LYS 32 OK 21 100 - 21 - 3.9/100=4, 4219=4...(7) HB2 PRO 34 - HG3 LYS 32 OK 20 99 - 20 - 1586/1.8=2, 1569=1, ~1711=1 HB3 LYS 39 - HG3 LYS 32 OK 12 98 - 12 - 1586/1.8=1 HG3 ARG 71 - HG3 LYS 32 OK 11 78 - 13 - 1.8/1601=1 HB2 LEU 57 - HG3 LYS 32 OK 11 99 - 11 - 3.1/5750=1, 3.1/4986=1 HB3 LYS 75 - HG3 LYS 32 lone 8 93 - 9 - HB2 LEU 62 - HG3 LYS 32 lone 5 65 - 7 - 3.1/5004=1 HB2 LYS 13 - HG3 LYS 32 lone 4 90 - 5 - HB3 ARG 84 - HG3 LYS 32 lone 4 60 - 7 - HB3 ARG 82 - HG3 LYS 32 lone 4 99 - 4 - HB2 ARG 69 - HG3 LYS 32 lone 4 60 - 6 - 4.3/1594=2 HG3 ARG 26 - HG3 LYS 32 lone 3 71 - 5 - HB3 ARG 17 - HG3 LYS 32 lone 2 57 - 4 - HB2 LYS 83 - HG3 LYS 32 lone 2 99 - 2 - HB2 LYS 85 - HG3 LYS 32 lone 1 60 - 2 - Peak 1598 from cnoeabs.peaks (1.28, 1.33, 24.60 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 1.8=100 HG2 ARG 54 - HG3 LYS 32 OK 13 76 - 17 - 1558/3.9=2, 1578/2.9=1...(6) QG2 THR 58 - HG3 LYS 32 lone 3 60 - 4 - Peak 1599 from cnoeabs.peaks (1.33, 1.33, 24.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 Peak 1600 from cnoeabs.peaks (1.61, 1.33, 24.60 ppm; 3.37 A): 2 out of 19 assignments used, quality = 1.00: * HD2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 73 - HG3 LYS 32 OK 39 100 - 40 - 1591/1.8=3, 3.0/1602=2...(18) HD2 LYS 73 - HG3 LYS 32 OK 39 100 - 40 - 1591/1.8=3, 3.0/1602=2...(18) HB3 LEU 51 - HG3 LYS 32 OK 29 97 - 30 - 2225=4, 3.1/2246=3...(9) HG2 ARG 71 - HG3 LYS 32 OK 13 98 - 13 - 1591/1.8=1, 3.8/4161=1 HD3 LYS 39 - HG3 LYS 32 poor 10 63 - 16 - HD2 LYS 39 - HG3 LYS 32 poor 10 65 - 15 - HG3 ARG 70 - HG3 LYS 32 lone 9 100 - 9 - 4.9/1594=2, 4.0/1595=1 HG2 ARG 84 - HG3 LYS 32 lone 8 89 - 9 - HG3 ARG 84 - HG3 LYS 32 lone 8 89 - 9 - HB3 LEU 62 - HG3 LYS 32 lone 6 78 - 7 - 3.1/5004=1 HG2 ARG 17 - HG3 LYS 32 lone 5 99 - 5 - HG3 ARG 17 - HG3 LYS 32 lone 5 98 - 5 - HG2 ARG 26 - HG3 LYS 32 lone 5 97 - 5 - HB2 LEU 86 - HG3 LYS 32 lone 5 100 - 5 - HG LEU 86 - HG3 LYS 32 lone 4 96 - 4 - HG2 ARG 27 - HG3 LYS 32 lone 4 81 - 5 - 5.0/5520=1 HG3 ARG 27 - HG3 LYS 32 lone 4 78 - 5 - 5.0/5520=1 Peak 1601 from cnoeabs.peaks (1.61, 1.33, 24.60 ppm; 3.37 A): 2 out of 18 assignments used, quality = 1.00: * HD3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.0=100 HD3 LYS 73 - HG3 LYS 32 OK 39 100 - 40 - 1591/1.8=3, 3.0/1602=2...(18) HD2 LYS 73 - HG3 LYS 32 OK 39 100 - 40 - 1591/1.8=3, 3.0/1602=2...(18) HB3 LEU 51 - HG3 LYS 32 OK 28 95 - 30 - 2225=4, 3.1/2246=3...(9) HG2 ARG 71 - HG3 LYS 32 OK 13 99 - 13 - 1591/1.8=1, 3.8/4161=1 HG3 ARG 70 - HG3 LYS 32 lone 9 100 - 9 - 4.9/1594=2, 4.0/1595=1 HD2 LYS 39 - HG3 LYS 32 poor 9 60 - 14 - HG2 ARG 84 - HG3 LYS 32 lone 7 85 - 8 - HG3 ARG 84 - HG3 LYS 32 lone 7 85 - 8 - HB3 LEU 62 - HG3 LYS 32 lone 5 73 - 7 - 3.1/5004=1 HG2 ARG 17 - HG3 LYS 32 lone 5 99 - 5 - HG3 ARG 17 - HG3 LYS 32 lone 5 99 - 5 - HG2 ARG 26 - HG3 LYS 32 lone 5 98 - 5 - HB2 LEU 86 - HG3 LYS 32 lone 5 100 - 5 - HG LEU 86 - HG3 LYS 32 lone 4 93 - 4 - HG2 ARG 27 - HG3 LYS 32 lone 4 85 - 5 - 5.0/5520=1 HG3 ARG 27 - HG3 LYS 32 lone 4 83 - 5 - 5.0/5520=1 Peak 1602 from cnoeabs.peaks (2.95, 1.33, 24.60 ppm; 4.15 A): 4 out of 12 assignments used, quality = 1.00: * HE2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 73 + HG3 LYS 32 OK 49 100 - 50 - 1592/1.8=4, 3.0/1601=4...(17) HE2 LYS 73 + HG3 LYS 32 OK 49 100 - 50 - 1592/1.8=4, 3.0/1601=4...(17) HE3 LYS 75 - HG3 LYS 32 OK 20 99 - 19 - 1593/1.8=2, ~1593=1...(7) HE2 LYS 75 - HG3 LYS 32 OK 19 99 - 19 - 1593/1.8=2, ~1593=1...(7) HB3 TYR 55 - HG3 LYS 32 OK 17 93 - 19 - 2.5/4663=3, ~4247=2...(11) HE2 LYS 39 - HG3 LYS 32 OK 14 73 - 19 - 1593/1.8=1 HE3 LYS 39 - HG3 LYS 32 OK 13 68 - 19 - 1593/1.8=1 HE3 LYS 13 - HG3 LYS 32 OK 12 95 - 12 - 1593/1.8=1 HE2 LYS 13 - HG3 LYS 32 OK 12 93 - 12 - 1593/1.8=1 HB3 TYR 81 - HG3 LYS 32 lone 2 68 - 3 - Peak 1603 from cnoeabs.peaks (2.95, 1.33, 24.60 ppm; 4.15 A): 4 out of 12 assignments used, quality = 1.00: * HE3 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.9=100 HE2 LYS 32 + HG3 LYS 32 OK 100 100 - 100 - 3.9=100 HE3 LYS 73 + HG3 LYS 32 OK 49 100 - 50 - 1592/1.8=4, 3.0/1601=4...(17) HE2 LYS 73 + HG3 LYS 32 OK 49 100 - 50 - 1592/1.8=4, 3.0/1601=4...(17) HE3 LYS 75 - HG3 LYS 32 OK 20 99 - 19 - 1593/1.8=2, ~1593=1...(7) HE2 LYS 75 - HG3 LYS 32 OK 20 99 - 19 - 1593/1.8=2, ~1593=1...(7) HB3 TYR 55 - HG3 LYS 32 OK 17 92 - 19 - 2.5/4663=3, ~4247=2...(11) HE2 LYS 39 - HG3 LYS 32 OK 15 76 - 19 - 1593/1.8=1 HE3 LYS 39 - HG3 LYS 32 OK 14 71 - 19 - 1593/1.8=1 HE3 LYS 13 - HG3 LYS 32 OK 12 96 - 12 - 1593/1.8=1 HE2 LYS 13 - HG3 LYS 32 OK 12 95 - 12 - 1593/1.8=1 HB3 TYR 81 - HG3 LYS 32 lone 2 71 - 3 - Peak 1604 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 2 out of 35 assignments used, quality = 0.99: * H LYS 32 + HD2 LYS 32 OK 90 100 - 90 - 6.1=50, 564/3.0=30...(17) H LYS 32 + HD3 LYS 32 OK 90 100 - 90 - 6.1=50, 564/3.0=30...(17) H ARG 70 - HD2 LYS 32 OK 38 96 - 40 - 1584/3.0=6, 1594/3.0=6...(14) H ARG 70 - HD3 LYS 32 OK 38 95 - 40 - 1584/3.0=6, 1594/3.0=6...(14) H ARG 70 - HG2 ARG 71 OK 38 91 - 42 - 5390/5.0=16, 295/5.0=7...(12) H ARG 70 - HD3 LYS 73 OK 33 96 - 35 - 300/2.9=4, 771=3...(11) H ARG 70 - HD2 LYS 73 OK 33 96 - 35 - 300/2.9=4, 771=3...(11) H LEU 29 - HD3 LYS 32 OK 32 96 - 34 - 1594/3.0=8, 1584/3.0=6...(10) H LEU 29 - HD2 LYS 32 OK 32 97 - 33 - 1594/3.0=8, 1584/3.0=6...(10) H LYS 32 - HD2 LYS 73 OK 30 100 - 30 - 5542=4, 3.0/1561=3...(13) H LYS 32 - HD3 LYS 73 OK 30 100 - 30 - 5542=4, 3.0/1561=3...(13) H ASP 67 - HG2 ARG 71 OK 25 94 - 27 - 5808/3.8=8, 303/5.0=5...(7) H VAL 76 - HD3 LYS 73 OK 23 85 - 27 - 5431/5.2=6, 340/3.5=5...(9) H VAL 76 - HD2 LYS 73 OK 23 85 - 27 - 5431/5.2=6, 340/3.5=5...(9) H LEU 29 - HG2 ARG 71 OK 19 93 - 21 - 4184/3.8=7, 303/5.0=3...(4) H VAL 76 - HD3 LYS 32 OK 19 85 - 22 - 1584/3.0=3, 1594/3.0=3...(7) H VAL 76 - HD2 LYS 32 OK 19 85 - 22 - 1584/3.0=3, 1594/3.0=3...(7) H LEU 29 - HD3 LYS 73 OK 17 97 - 18 - 5534/2.9=2, 545/5.2=2, 908/6.1=2 H LEU 29 - HD2 LYS 73 OK 17 97 - 18 - 5534/2.9=2, 545/5.2=2, 908/6.1=2 H ASP 67 - HD3 LYS 32 OK 17 97 - 17 - 1584/3.0=3, 1594/3.0=3...(8) H ASP 67 - HD2 LYS 32 OK 17 97 - 17 - 1584/3.0=3, 1594/3.0=3...(8) H LYS 32 - HG2 ARG 71 OK 15 98 - 15 - 303/5.0=3, 5542=2...(5) H VAL 76 - HG2 ARG 71 OK 11 80 - 13 - 303/5.0=3, 340/2.8=2...(4) H ASP 67 - HD2 LYS 73 lone 7 97 - 8 - 5805/2.9=2 H ASP 67 - HD3 LYS 73 lone 7 97 - 8 - 5805/2.9=2 H VAL 76 - HD2 LYS 39 poor 7 49 - 15 - 340/3.5=4, 339/5.0=3...(4) H VAL 76 - HD3 LYS 39 poor 7 47 - 15 - 340/3.5=4, 339/5.0=3...(4) H LEU 29 - HD2 LYS 39 lone 5 60 - 9 - H LYS 32 - HD3 LYS 39 lone 5 63 - 8 - H LEU 29 - HD3 LYS 39 lone 5 57 - 9 - H ARG 70 - HD2 LYS 39 lone 5 58 - 8 - 298/3.0=2, 297/3.5=1 H LYS 32 - HD2 LYS 39 lone 5 65 - 7 - H ARG 70 - HD3 LYS 39 lone 4 56 - 8 - 298/3.0=2, 297/3.5=1 H ASP 67 - HD2 LYS 39 lone 3 61 - 5 - 4737/5.0=1 H ASP 67 - HD3 LYS 39 lone 3 58 - 5 - 4737/5.0=1 Peak 1605 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.38 A): 2 out of 70 assignments used, quality = 1.00: HA LYS 32 + HD3 LYS 32 OK 93 100 - 94 - 5.1=63, 1558/3.0=30...(33) * HA LYS 32 + HD2 LYS 32 OK 93 100 - 93 - 5.1=63, 1558/3.0=30...(32) HA LYS 32 - HD3 LYS 73 OK 40 100 - 40 - 1561=4, 1561/1.8=4...(17) HA LYS 32 - HD2 LYS 73 OK 40 100 - 40 - 1561=4, 1561/1.8=4...(17) HA ALA 28 - HD2 LYS 32 OK 36 85 - 42 - 1472/3.0=6, 1585/3.0=5...(20) HA ALA 28 - HD3 LYS 32 OK 36 85 - 42 - 1472/3.0=6, 1585/3.0=5...(20) HA2 GLY 72 - HG2 ARG 71 OK 33 89 - 37 - 6034/5.0=8, 3.0/5840=7...(9) HA ARG 66 - HG2 ARG 71 OK 28 98 - 29 - 304/5.0=3, 2676/2.8=2...(11) HA2 GLY 72 - HD3 LYS 73 OK 26 93 - 28 - 5844/3.5=6, 3961/6.1=6...(12) HA2 GLY 72 - HD2 LYS 73 OK 26 93 - 28 - 5844/3.5=6, 3961/6.1=6...(12) HA ARG 70 - HD2 LYS 32 OK 24 71 - 34 - 2.9/771=3, 1585/3.0=3...(15) HA ARG 70 - HD3 LYS 32 OK 24 71 - 34 - 2.9/771=3, 1585/3.0=3...(15) HA VAL 76 - HD3 LYS 73 OK 24 98 - 24 - 5853/3.5=5, 320/6.1=3...(8) HA VAL 76 - HD2 LYS 73 OK 24 98 - 24 - 5853/3.5=5, 320/6.1=3...(8) HA ARG 70 - HD2 LYS 73 OK 22 71 - 31 - 5987/6.1=5, 5983/2.9=3...(12) HA ARG 70 - HD3 LYS 73 OK 22 71 - 31 - 5987/6.1=5, 5983/2.9=3...(12) HA ARG 70 - HG2 ARG 71 OK 20 66 - 30 - 3.6/778=6, 4.7/2900=4...(11) HA VAL 76 - HD3 LYS 32 OK 17 98 - 17 - 1585/3.0=2, 1595/3.0=2...(7) HA VAL 76 - HD2 LYS 32 OK 17 98 - 17 - 1585/3.0=2, 1595/3.0=2...(7) HA GLN 61 - HD2 LYS 32 OK 17 96 - 17 - 1595/3.0=3, 1585/3.0=3...(8) HA GLN 61 - HD3 LYS 32 OK 16 95 - 17 - 1595/3.0=3, 1585/3.0=3...(8) HA LYS 32 - HG2 ARG 71 OK 15 98 - 16 - 1561=2, 304/5.0=1...(6) HA ARG 66 - HD3 LYS 32 OK 13 100 - 13 - 3924/6.1=2, 1585/3.0=2 HA ARG 66 - HD2 LYS 32 OK 13 100 - 13 - 3924/6.1=2, 1585/3.0=2 HA2 GLY 72 - HD2 LYS 32 OK 13 93 - 14 - 3.6/791=2, 3.0/5840=2...(5) HA2 GLY 72 - HD3 LYS 32 OK 13 93 - 14 - 3.6/791=2, 3.0/5840=2...(5) HA GLU 50 - HD2 LYS 32 OK 11 95 - 11 - 3.0/5670=2, 3.6/660=2...(5) HA GLU 50 - HD3 LYS 32 OK 10 94 - 11 - 3.0/5670=2, 3.6/660=2...(5) HA ALA 28 - HG2 ARG 71 OK 10 80 - 13 - 783/5.0=1, ~4180=1, 3.0/72=1 HA LYS 32 - HD3 LYS 39 poor 9 63 - 15 - 1560=1 HA LYS 32 - HD2 LYS 39 poor 9 65 - 14 - 1560=1 HA ALA 28 - HD2 LYS 73 lone 8 85 - 10 - 4175/2.9=1 HA ALA 28 - HD3 LYS 73 lone 8 85 - 10 - 4175/2.9=1 HA VAL 76 - HG2 ARG 71 lone 8 94 - 9 - 783/5.0=2, ~340=1 HA GLN 61 - HD2 LYS 73 lone 8 96 - 8 - ~4657=1 HA GLN 61 - HD3 LYS 73 lone 8 96 - 8 - ~4657=1 HA ARG 66 - HD2 LYS 73 lone 7 100 - 7 - 4733/2.9=1 HA ARG 66 - HD3 LYS 73 lone 7 100 - 7 - 4733/2.9=1 HA GLU 50 - HD3 LYS 73 lone 7 95 - 7 - HA GLU 50 - HD2 LYS 73 lone 7 95 - 7 - HA GLU 50 - HD2 LYS 39 lone 5 57 - 10 - 3.6/660=2, 3.0/5670=2, ~5670=1 HA GLU 50 - HD3 LYS 39 lone 5 55 - 9 - 3.6/660=2, 3.0/5670=2, ~5670=1 HA2 GLY 21 - HD2 LYS 32 lone 5 71 - 7 - HA2 GLY 21 - HD3 LYS 32 lone 5 71 - 7 - HA3 GLY 21 - HD2 LYS 32 lone 5 68 - 7 - HA3 GLY 21 - HD3 LYS 32 lone 5 68 - 7 - HA VAL 76 - HD2 LYS 39 lone 5 61 - 8 - 5853/3.5=1, 5856/5.0=1 HA VAL 76 - HD3 LYS 39 lone 5 59 - 8 - 5853/3.5=1, 5856/5.0=1 HA2 GLY 21 - HG2 ARG 71 lone 4 66 - 6 - HA3 GLY 21 - HG2 ARG 71 lone 4 64 - 6 - HA ARG 66 - HD2 LYS 39 lone 3 65 - 5 - 4733/3.0=1 HA ARG 66 - HD3 LYS 39 lone 3 63 - 5 - 4733/3.0=1 HA GLN 61 - HD2 LYS 39 lone 3 58 - 5 - HA GLN 61 - HG2 ARG 71 lone 3 91 - 3 - 783/5.0=1 HA ALA 28 - HD2 LYS 39 lone 3 49 - 6 - ~5321=1 HA2 GLY 21 - HD3 LYS 73 lone 3 71 - 4 - HA2 GLY 21 - HD2 LYS 73 lone 3 71 - 4 - HA GLN 61 - HD3 LYS 39 lone 3 56 - 5 - HA ALA 28 - HD3 LYS 39 lone 3 47 - 6 - ~5321=1 HA3 GLY 21 - HD2 LYS 73 lone 3 68 - 4 - HA3 GLY 21 - HD3 LYS 73 lone 3 68 - 4 - HA GLU 50 - HG2 ARG 71 lone 3 90 - 3 - HA2 GLY 72 - HD2 LYS 39 lone 2 56 - 4 - HA2 GLY 72 - HD3 LYS 39 lone 2 54 - 4 - HA ARG 70 - HD2 LYS 39 lone 2 39 - 5 - HA ARG 70 - HD3 LYS 39 lone 2 37 - 5 - HA2 GLY 21 - HD2 LYS 39 lone 1 39 - 3 - HA3 GLY 21 - HD2 LYS 39 lone 1 37 - 3 - HA2 GLY 21 - HD3 LYS 39 lone 1 37 - 3 - HA3 GLY 21 - HD3 LYS 39 lone 1 36 - 3 - Peak 1606 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.71 A): 7 out of 140 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 73 73 - 100 - 1.8=100 HB3 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) * HB2 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 73 + HD2 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 73 + HD3 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 39 - HD2 LYS 39 OK 40 61 - 65 - 3.5=45, 2.9/1868=4...(16) HB3 LYS 39 - HD3 LYS 39 OK 38 59 - 65 - 3.5=45, 2.9/1868=4...(16) HB2 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HG3 ARG 26 - HG2 ARG 71 OK 20 66 - 31 - 1394=5, ~2932=2...(8) HB3 LYS 73 - HD3 LYS 32 OK 20 100 - 20 - 2.9/2994=1, 1596/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 19 100 - 20 - 2.9/2994=1, 1597/3.0=1 HB3 LYS 75 - HD2 LYS 73 OK 19 93 - 21 - HB3 LYS 75 - HD3 LYS 73 OK 19 93 - 21 - HB3 LYS 39 - HD2 LYS 73 OK 15 98 - 16 - HB3 LYS 39 - HD3 LYS 73 OK 15 98 - 16 - HB3 LYS 75 - HD2 LYS 39 OK 15 56 - 26 - 1865/3.0=2, ~1864=2...(8) HB2 ARG 54 - HD3 LYS 32 OK 14 99 - 15 - 1596/3.0=1, 1586/3.0=1 HB2 ARG 54 - HD2 LYS 32 OK 14 99 - 14 - 1596/3.0=1, 1586/3.0=1 HB3 LYS 75 - HD3 LYS 39 OK 14 54 - 26 - 1865/3.0=2, ~1864=2...(8) HG2 PRO 34 - HD3 LYS 32 OK 13 93 - 14 - HG2 PRO 34 - HD2 LYS 32 OK 13 93 - 14 - HB2 ARG 54 - HD2 LYS 39 OK 12 62 - 20 - 2310/3.0=2, 2312/1.8=2...(7) HB2 PRO 34 - HG2 ARG 71 OK 12 96 - 13 - HB2 ARG 54 - HD3 LYS 39 OK 12 60 - 20 - 2310/3.0=2, 2312/1.8=2...(6) HB3 LYS 39 - HD3 LYS 32 OK 11 98 - 11 - HB2 PRO 34 - HD3 LYS 32 OK 11 99 - 11 - HB3 ARG 17 - HG2 ARG 71 OK 11 53 - 21 - 1167=1, ~1149=1...(7) HG2 PRO 34 - HG2 ARG 71 OK 11 89 - 12 - 1723/2.8=1, 1723/2.8=1 HB2 PRO 34 - HD2 LYS 32 OK 11 99 - 11 - HB3 LYS 39 - HD2 LYS 32 lone 10 98 - 10 - HG3 ARG 71 - HD2 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HD3 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HB3 LYS 32 - HG2 ARG 71 lone 8 98 - 8 - HB2 LYS 32 - HG2 ARG 71 lone 8 98 - 8 - HB2 LYS 13 - HD2 LYS 73 lone 8 90 - 9 - HB2 LYS 13 - HD3 LYS 73 lone 8 90 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 7 93 - 8 - HB2 LYS 85 - HD3 LYS 73 poor 7 60 - 12 - HB2 LYS 85 - HD2 LYS 73 poor 7 60 - 12 - HB ILE 33 - HD2 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1586/3.0=1 HB ILE 33 - HD3 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB3 LYS 75 - HD2 LYS 32 lone 7 93 - 8 - HB3 LYS 32 - HD3 LYS 39 poor 7 63 - 11 - HB2 LYS 32 - HD3 LYS 39 poor 7 63 - 11 - HB3 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HB3 LYS 73 - HD3 LYS 39 poor 7 62 - 11 - HB3 LYS 32 - HD2 LYS 39 poor 7 65 - 10 - HB2 LYS 32 - HD2 LYS 39 poor 7 65 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 73 lone 6 99 - 6 - HG3 ARG 71 - HD3 LYS 73 lone 6 78 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 78 - 8 - HB2 LEU 57 - HD2 LYS 32 lone 5 99 - 5 - HB2 LEU 57 - HD3 LYS 32 lone 5 99 - 5 - HB3 ARG 84 - HD2 LYS 73 lone 5 60 - 9 - HB3 ARG 84 - HD3 LYS 73 lone 5 60 - 9 - HB3 LYS 73 - HG2 ARG 71 lone 5 97 - 5 - 5841/5.0=1 HG2 PRO 34 - HD2 LYS 39 lone 5 56 - 9 - 1723/3.5=1 HB2 PRO 34 - HD2 LYS 39 lone 5 64 - 8 - HB2 LYS 83 - HD2 LYS 73 lone 5 99 - 5 - HB2 LYS 83 - HD3 LYS 73 lone 5 99 - 5 - HG2 PRO 34 - HD3 LYS 39 lone 5 54 - 9 - 1723/3.5=1 HB2 PRO 34 - HD3 LYS 39 lone 5 61 - 8 - HB2 ARG 69 - HD2 LYS 73 lone 4 60 - 7 - HB2 ARG 69 - HD3 LYS 73 lone 4 60 - 7 - HB3 ARG 82 - HD2 LYS 73 lone 4 99 - 4 - HB3 ARG 82 - HD3 LYS 73 lone 4 99 - 4 - HB2 LYS 13 - HD2 LYS 39 lone 4 53 - 7 - HB2 LYS 13 - HD3 LYS 39 lone 4 51 - 7 - HB3 LYS 75 - HG2 ARG 71 lone 3 89 - 4 - HB3 ARG 84 - HG2 ARG 71 lone 3 56 - 6 - HB2 LYS 13 - HD3 LYS 32 lone 3 90 - 3 - HB2 LYS 13 - HD2 LYS 32 lone 3 90 - 3 - HB3 ARG 84 - HD2 LYS 32 lone 3 60 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 3 60 - 5 - HB2 ARG 54 - HD3 LYS 73 lone 3 99 - 3 - HB2 ARG 54 - HD2 LYS 73 lone 3 99 - 3 - HB2 LEU 62 - HG2 ARG 71 lone 3 61 - 5 - HG3 ARG 26 - HD3 LYS 32 lone 3 71 - 4 - HG3 ARG 26 - HD2 LYS 32 lone 3 71 - 4 - HB2 LEU 57 - HD2 LYS 39 lone 3 63 - 4 - HB2 LEU 62 - HD3 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 39 lone 3 36 - 7 - HB3 ARG 82 - HD3 LYS 32 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 99 - 3 - HB2 LEU 57 - HD3 LYS 39 lone 3 60 - 4 - HB2 LEU 62 - HD3 LYS 73 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 73 lone 3 65 - 4 - HG2 PRO 34 - HD3 LYS 73 lone 2 93 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 2 93 - 3 - HB2 LEU 62 - HD3 LYS 39 lone 3 34 - 7 - HB3 LYS 39 - HG2 ARG 71 lone 2 94 - 2 - HB3 ARG 82 - HG2 ARG 71 lone 2 95 - 2 - HB3 ARG 82 - HD2 LYS 39 lone 2 62 - 4 - HB3 ARG 82 - HD3 LYS 39 lone 2 60 - 4 - HB2 PRO 34 - HD2 LYS 73 lone 2 99 - 2 - HB2 PRO 34 - HD3 LYS 73 lone 2 99 - 2 - HB2 ARG 69 - HD3 LYS 32 lone 2 60 - 3 - HB2 ARG 69 - HD2 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 62 - 3 - HB2 LYS 83 - HD3 LYS 39 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 73 lone 2 57 - 3 - HB2 LYS 85 - HD3 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 32 lone 2 57 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD2 LYS 32 lone 2 57 - 3 - HB2 ARG 69 - HG2 ARG 71 lone 2 56 - 3 - HB2 LYS 83 - HD3 LYS 32 lone 1 99 - 1 - HB2 LYS 83 - HD2 LYS 32 lone 1 99 - 1 - HG3 ARG 26 - HD3 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 71 - 2 - HB2 LEU 57 - HG2 ARG 71 lone 1 96 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 95 - 1 - HB2 LYS 85 - HD2 LYS 39 lone 1 32 - 4 - HB ILE 33 - HD2 LYS 73 lone 1 100 - 1 - HB ILE 33 - HD3 LYS 73 lone 1 100 - 1 - HB2 LYS 85 - HD3 LYS 39 lone 1 31 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 1 32 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 1 31 - 4 - HB ILE 33 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HD2 LYS 39 lone 1 64 - 2 - HB2 LYS 83 - HG2 ARG 71 lone 1 95 - 1 - HB ILE 33 - HD3 LYS 39 lone 1 62 - 2 - HB2 LYS 85 - HG2 ARG 71 lone 1 56 - 2 - HB3 ARG 84 - HD2 LYS 39 lone 1 32 - 3 - HB3 ARG 84 - HD3 LYS 39 lone 1 31 - 3 - HB2 LYS 13 - HG2 ARG 71 lone 1 86 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 1 44 - 1 - HG3 ARG 71 - HD3 LYS 39 lone 1 42 - 1 - HB3 ARG 17 - HD2 LYS 39 lone 0 31 - 1 - HB3 ARG 17 - HD3 LYS 39 lone 0 29 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 39 - 0 - HG3 ARG 26 - HD3 LYS 39 lone 0 37 - 0 - Peak 1607 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.71 A): 7 out of 140 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 73 73 - 100 - 1.8=100 HB3 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) * HB3 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 73 + HD2 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 73 + HD3 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 39 - HD2 LYS 39 OK 40 61 - 65 - 3.5=45, 2.9/1868=4...(16) HB3 LYS 39 - HD3 LYS 39 OK 38 59 - 65 - 3.5=45, 2.9/1868=4...(16) HB2 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HG3 ARG 26 - HG2 ARG 71 OK 20 66 - 31 - 1394=5, ~2932=2...(8) HB3 LYS 73 - HD3 LYS 32 OK 20 100 - 20 - 2.9/2994=1, 1596/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 19 100 - 20 - 2.9/2994=1, 1597/3.0=1 HB3 LYS 75 - HD2 LYS 73 OK 19 93 - 21 - HB3 LYS 75 - HD3 LYS 73 OK 19 93 - 21 - HB3 LYS 39 - HD2 LYS 73 OK 15 98 - 16 - HB3 LYS 39 - HD3 LYS 73 OK 15 98 - 16 - HB3 LYS 75 - HD2 LYS 39 OK 15 56 - 26 - 1865/3.0=2, ~1864=2...(8) HB2 ARG 54 - HD3 LYS 32 OK 14 99 - 15 - 1596/3.0=1, 1586/3.0=1 HB2 ARG 54 - HD2 LYS 32 OK 14 99 - 14 - 1596/3.0=1, 1586/3.0=1 HB3 LYS 75 - HD3 LYS 39 OK 14 54 - 26 - 1865/3.0=2, ~1864=2...(8) HG2 PRO 34 - HD3 LYS 32 OK 13 93 - 14 - HG2 PRO 34 - HD2 LYS 32 OK 13 93 - 14 - HB2 ARG 54 - HD2 LYS 39 OK 12 62 - 20 - 2310/3.0=2, 2312/1.8=2...(7) HB2 PRO 34 - HG2 ARG 71 OK 12 96 - 13 - HB2 ARG 54 - HD3 LYS 39 OK 12 60 - 20 - 2310/3.0=2, 2312/1.8=2...(6) HB3 LYS 39 - HD3 LYS 32 OK 11 98 - 11 - HB2 PRO 34 - HD3 LYS 32 OK 11 99 - 11 - HB3 ARG 17 - HG2 ARG 71 OK 11 53 - 21 - 1167=1, ~1149=1...(7) HG2 PRO 34 - HG2 ARG 71 OK 11 89 - 12 - 1723/2.8=1, 1723/2.8=1 HB2 PRO 34 - HD2 LYS 32 OK 11 99 - 11 - HB3 LYS 39 - HD2 LYS 32 lone 10 98 - 10 - HG3 ARG 71 - HD2 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HD3 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HB3 LYS 32 - HG2 ARG 71 lone 8 98 - 8 - HB2 LYS 32 - HG2 ARG 71 lone 8 98 - 8 - HB2 LYS 13 - HD2 LYS 73 lone 8 90 - 9 - HB2 LYS 13 - HD3 LYS 73 lone 8 90 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 7 93 - 8 - HB2 LYS 85 - HD3 LYS 73 poor 7 60 - 12 - HB2 LYS 85 - HD2 LYS 73 poor 7 60 - 12 - HB ILE 33 - HD2 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1586/3.0=1 HB ILE 33 - HD3 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB3 LYS 75 - HD2 LYS 32 lone 7 93 - 8 - HB3 LYS 32 - HD3 LYS 39 poor 7 63 - 11 - HB2 LYS 32 - HD3 LYS 39 poor 7 63 - 11 - HB3 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HB3 LYS 73 - HD3 LYS 39 poor 7 62 - 11 - HB3 LYS 32 - HD2 LYS 39 poor 7 65 - 10 - HB2 LYS 32 - HD2 LYS 39 poor 7 65 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 73 lone 6 99 - 6 - HG3 ARG 71 - HD3 LYS 73 lone 6 78 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 78 - 8 - HB2 LEU 57 - HD2 LYS 32 lone 5 99 - 5 - HB2 LEU 57 - HD3 LYS 32 lone 5 99 - 5 - HB3 ARG 84 - HD2 LYS 73 lone 5 60 - 9 - HB3 ARG 84 - HD3 LYS 73 lone 5 60 - 9 - HB3 LYS 73 - HG2 ARG 71 lone 5 97 - 5 - 5841/5.0=1 HG2 PRO 34 - HD2 LYS 39 lone 5 56 - 9 - 1723/3.5=1 HB2 PRO 34 - HD2 LYS 39 lone 5 64 - 8 - HB2 LYS 83 - HD2 LYS 73 lone 5 99 - 5 - HB2 LYS 83 - HD3 LYS 73 lone 5 99 - 5 - HG2 PRO 34 - HD3 LYS 39 lone 5 54 - 9 - 1723/3.5=1 HB2 PRO 34 - HD3 LYS 39 lone 5 61 - 8 - HB2 ARG 69 - HD2 LYS 73 lone 4 60 - 7 - HB2 ARG 69 - HD3 LYS 73 lone 4 60 - 7 - HB3 ARG 82 - HD2 LYS 73 lone 4 99 - 4 - HB3 ARG 82 - HD3 LYS 73 lone 4 99 - 4 - HB2 LYS 13 - HD2 LYS 39 lone 4 53 - 7 - HB2 LYS 13 - HD3 LYS 39 lone 4 51 - 7 - HB3 LYS 75 - HG2 ARG 71 lone 3 89 - 4 - HB3 ARG 84 - HG2 ARG 71 lone 3 56 - 6 - HB2 LYS 13 - HD3 LYS 32 lone 3 90 - 3 - HB2 LYS 13 - HD2 LYS 32 lone 3 90 - 3 - HB3 ARG 84 - HD2 LYS 32 lone 3 60 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 3 60 - 5 - HB2 ARG 54 - HD3 LYS 73 lone 3 99 - 3 - HB2 ARG 54 - HD2 LYS 73 lone 3 99 - 3 - HB2 LEU 62 - HG2 ARG 71 lone 3 61 - 5 - HG3 ARG 26 - HD3 LYS 32 lone 3 71 - 4 - HG3 ARG 26 - HD2 LYS 32 lone 3 71 - 4 - HB2 LEU 57 - HD2 LYS 39 lone 3 63 - 4 - HB2 LEU 62 - HD3 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 39 lone 3 36 - 7 - HB3 ARG 82 - HD3 LYS 32 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 99 - 3 - HB2 LEU 57 - HD3 LYS 39 lone 3 60 - 4 - HB2 LEU 62 - HD3 LYS 73 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 73 lone 3 65 - 4 - HG2 PRO 34 - HD3 LYS 73 lone 2 93 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 2 93 - 3 - HB2 LEU 62 - HD3 LYS 39 lone 3 34 - 7 - HB3 LYS 39 - HG2 ARG 71 lone 2 94 - 2 - HB3 ARG 82 - HG2 ARG 71 lone 2 95 - 2 - HB3 ARG 82 - HD2 LYS 39 lone 2 62 - 4 - HB3 ARG 82 - HD3 LYS 39 lone 2 60 - 4 - HB2 PRO 34 - HD2 LYS 73 lone 2 99 - 2 - HB2 PRO 34 - HD3 LYS 73 lone 2 99 - 2 - HB2 ARG 69 - HD3 LYS 32 lone 2 60 - 3 - HB2 ARG 69 - HD2 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 62 - 3 - HB2 LYS 83 - HD3 LYS 39 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 73 lone 2 57 - 3 - HB2 LYS 85 - HD3 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 32 lone 2 57 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD2 LYS 32 lone 2 57 - 3 - HB2 ARG 69 - HG2 ARG 71 lone 2 56 - 3 - HB2 LYS 83 - HD3 LYS 32 lone 1 99 - 1 - HB2 LYS 83 - HD2 LYS 32 lone 1 99 - 1 - HG3 ARG 26 - HD3 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 71 - 2 - HB2 LEU 57 - HG2 ARG 71 lone 1 96 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 95 - 1 - HB2 LYS 85 - HD2 LYS 39 lone 1 32 - 4 - HB ILE 33 - HD2 LYS 73 lone 1 100 - 1 - HB ILE 33 - HD3 LYS 73 lone 1 100 - 1 - HB2 LYS 85 - HD3 LYS 39 lone 1 31 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 1 32 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 1 31 - 4 - HB ILE 33 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HD2 LYS 39 lone 1 64 - 2 - HB2 LYS 83 - HG2 ARG 71 lone 1 95 - 1 - HB ILE 33 - HD3 LYS 39 lone 1 62 - 2 - HB2 LYS 85 - HG2 ARG 71 lone 1 56 - 2 - HB3 ARG 84 - HD2 LYS 39 lone 1 32 - 3 - HB3 ARG 84 - HD3 LYS 39 lone 1 31 - 3 - HB2 LYS 13 - HG2 ARG 71 lone 1 86 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 1 44 - 1 - HG3 ARG 71 - HD3 LYS 39 lone 1 42 - 1 - HB3 ARG 17 - HD2 LYS 39 lone 0 31 - 1 - HB3 ARG 17 - HD3 LYS 39 lone 0 29 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 39 - 0 - HG3 ARG 26 - HD3 LYS 39 lone 0 37 - 0 - Peak 1608 from cnoeabs.peaks (1.28, 1.61, 28.78 ppm; 4.29 A): 4 out of 21 assignments used, quality = 1.00: * HG2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HG2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HG2 LYS 32 + HD3 LYS 73 OK 56 100 - 57 - 1591=5, 1591/1.8=5...(26) HG2 LYS 32 + HD2 LYS 73 OK 56 100 - 57 - 1591=5, 1591/1.8=5...(26) HG2 ARG 54 - HD3 LYS 32 OK 32 76 - 42 - 1598/3.0=5, 1558/5.1=4...(18) HG2 ARG 54 - HD2 LYS 32 OK 31 76 - 41 - 1598/3.0=5, 1558/5.1=4...(18) HG2 LYS 32 - HG2 ARG 71 OK 20 98 - 20 - 1591=2, 1.8/1601=2...(4) HG2 ARG 54 - HD2 LYS 39 OK 16 42 - 39 - 2326/3.0=4, ~1876=3...(16) HG2 LYS 32 - HD3 LYS 39 OK 16 63 - 25 - 1590=1, 1590/1.8=1...(6) HG2 ARG 54 - HD3 LYS 39 OK 16 40 - 39 - 2326/3.0=4, ~1876=3...(16) HG2 LYS 32 - HD2 LYS 39 OK 15 65 - 23 - 1590=1, 1590/1.8=1...(6) QG2 THR 58 - HD2 LYS 32 lone 5 60 - 8 - 564/6.1=2, ~2477=1...(4) QG2 THR 58 - HD3 LYS 32 lone 5 60 - 8 - 564/6.1=2, ~2477=1...(4) HG2 ARG 54 - HD2 LYS 73 lone 4 76 - 6 - HG2 ARG 54 - HD3 LYS 73 lone 4 76 - 6 - HG2 ARG 54 - HG2 ARG 71 lone 2 71 - 3 - QG2 THR 58 - HD2 LYS 73 lone 1 60 - 1 - QG2 THR 58 - HD3 LYS 73 lone 1 60 - 1 - QG2 THR 58 - HG2 ARG 71 lone 1 56 - 1 - QG2 THR 58 - HD2 LYS 39 lone 0 32 - 1 - QG2 THR 58 - HD3 LYS 39 lone 0 31 - 1 - Peak 1609 from cnoeabs.peaks (1.33, 1.61, 28.78 ppm; 4.26 A): 8 out of 49 assignments used, quality = 1.00: * HG3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 LYS 32 + HD3 LYS 73 OK 59 100 - 59 - 1601=5, 1.8/1591=5...(27) HG3 LYS 32 + HD2 LYS 73 OK 59 100 - 59 - 1601=5, 1.8/1591=5...(27) HB2 LEU 51 + HD3 LYS 32 OK 47 99 - 48 - 1589/3.0=4, ~2225=2...(34) HB2 LEU 51 + HD2 LYS 32 OK 45 99 - 46 - 1589/3.0=4, ~2225=2...(32) QB ALA 28 + HD2 LYS 32 OK 45 97 - 47 - 1589/3.0=6, 4180/3.5=5...(19) QB ALA 28 + HD3 LYS 32 OK 45 97 - 47 - 1589/3.0=6, 4180/3.5=5...(21) HB2 LEU 51 - HD2 LYS 39 OK 40 63 - 63 - ~6087=12, ~6085=6...(27) HB2 LEU 51 - HD3 LYS 39 OK 38 60 - 63 - ~6087=12, ~6085=6...(27) HG2 ARG 54 - HD3 LYS 32 OK 29 78 - 37 - 1589/3.0=3, 2325/3.5=3...(15) HG2 ARG 54 - HD2 LYS 32 OK 29 78 - 37 - 1589/3.0=3, 2325/3.5=3...(15) HB2 LEU 52 - HD2 LYS 32 OK 26 99 - 26 - 1589/3.0=2, 1559/5.1=2...(15) HB2 LEU 52 - HD3 LYS 32 OK 25 99 - 26 - 1589/3.0=2, 1559/5.1=2...(15) HB2 LEU 51 - HD2 LYS 73 OK 22 99 - 22 - ~5255=2, ~6094=1...(8) HB2 LEU 51 - HD3 LYS 73 OK 22 99 - 22 - ~5255=2, ~6094=1...(8) HG3 LYS 32 - HG2 ARG 71 OK 21 98 - 22 - 1.8/1618=2, 4161/3.8=2...(5) HG2 ARG 54 - HD2 LYS 39 OK 17 44 - 39 - 2326/3.0=4, ~1876=2...(16) HG3 LYS 32 - HD3 LYS 39 OK 16 63 - 26 - 1600=1, 1.8/1590=1...(6) HG2 ARG 54 - HD3 LYS 39 OK 16 42 - 39 - 2326/3.0=4, ~1876=2...(16) HB2 LEU 52 - HD3 LYS 73 OK 16 99 - 16 - 4.6/4964=2, 2261/2.9=1...(4) HB2 LEU 52 - HD2 LYS 73 OK 16 99 - 16 - 4.6/4964=2, 2261/2.9=1...(4) HG3 LYS 32 - HD2 LYS 39 OK 16 65 - 24 - 1.8/1608=1, 1600=1...(6) QB ALA 28 - HG2 ARG 71 OK 15 94 - 17 - 4181/3.8=4, 4180/1.8=2, 2.9/72=1 QB ALA 28 - HD3 LYS 73 lone 9 97 - 9 - QB ALA 28 - HD2 LYS 73 lone 9 97 - 9 - QG2 THR 58 - HD2 LYS 32 lone 7 90 - 8 - 565/6.1=2, ~2477=1 QG2 THR 58 - HD3 LYS 32 lone 7 90 - 8 - 565/6.1=2, ~2477=1 HB2 LEU 52 - HD2 LYS 39 lone 6 63 - 9 - 3.9/196=2, 4.6/4964=1 HB2 LEU 52 - HD3 LYS 39 lone 5 60 - 9 - 3.9/196=1, 4.6/4964=1 HG2 ARG 54 - HD3 LYS 73 lone 4 78 - 5 - HG2 ARG 54 - HD2 LYS 73 lone 4 78 - 5 - QB ALA 28 - HD2 LYS 39 lone 4 61 - 7 - 5321/3.0=2 HB2 LEU 51 - HG2 ARG 71 lone 4 96 - 4 - QB ALA 28 - HD3 LYS 39 lone 4 58 - 6 - 5321/3.0=2 QB ALA 12 - HD3 LYS 32 lone 4 100 - 3 - QB ALA 12 - HD2 LYS 32 lone 4 100 - 3 - HB2 LEU 52 - HG2 ARG 71 lone 3 96 - 3 - HG2 ARG 54 - HG2 ARG 71 lone 2 73 - 3 - QB ALA 12 - HD3 LYS 73 lone 2 100 - 2 - QB ALA 12 - HD2 LYS 73 lone 2 100 - 2 - QB ALA 12 - HD2 LYS 39 lone 2 65 - 2 - QB ALA 12 - HD3 LYS 39 lone 2 62 - 2 - QB ALA 12 - HG2 ARG 71 lone 1 97 - 1 - QG2 THR 58 - HD3 LYS 73 lone 1 90 - 2 - QG2 THR 58 - HD2 LYS 73 lone 1 90 - 2 - QG2 THR 58 - HG2 ARG 71 lone 1 86 - 1 - QG2 THR 58 - HD2 LYS 39 lone 1 53 - 2 - QG2 THR 58 - HD3 LYS 39 lone 1 51 - 2 - Peak 1610 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 * HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 94 94 - 100 HD2 LYS 39 - HD2 LYS 39 OK 36 36 - 100 HD3 LYS 39 - HD3 LYS 39 OK 32 32 - 100 Peak 1611 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 96 96 - 100 HD2 LYS 39 - HD2 LYS 39 OK 32 32 - 100 Reference assignment not found: HD3 LYS 32 - HD2 LYS 32 Peak 1612 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 8 out of 84 assignments used, quality = 1.00: HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 * HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 41 41 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 39 39 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 36 36 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 14 63 - 22 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD2 LYS 39 OK 13 62 - 22 - ~1870=1, ~1871=1...(5) HE3 LYS 75 - HD3 LYS 39 OK 13 60 - 22 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD3 LYS 39 OK 13 60 - 22 - ~1870=1, ~1871=1...(5) HE3 LYS 13 - HD3 LYS 73 OK 13 95 - 13 - HE3 LYS 13 - HD2 LYS 73 OK 13 95 - 13 - HE2 LYS 13 - HD2 LYS 73 OK 13 93 - 13 - HE2 LYS 13 - HD3 LYS 73 OK 13 93 - 13 - HE3 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE2 LYS 75 - HD3 LYS 32 OK 12 99 - 13 - HE3 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HB3 TYR 55 - HD2 LYS 32 lone 8 93 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 8 93 - 8 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HE3 LYS 13 - HD2 LYS 39 poor 7 57 - 12 - HE2 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HE2 LYS 39 - HD3 LYS 32 lone 7 73 - 10 - HE2 LYS 39 - HD2 LYS 32 lone 7 73 - 10 - HE2 LYS 32 - HG2 ARG 71 lone 7 98 - 7 - HE3 LYS 32 - HG2 ARG 71 lone 7 98 - 7 - HE2 LYS 13 - HD2 LYS 39 poor 7 56 - 12 - HE3 LYS 13 - HD3 LYS 39 poor 7 55 - 13 - HE3 LYS 73 - HD3 LYS 39 poor 7 63 - 11 - HE2 LYS 73 - HD3 LYS 39 poor 7 63 - 11 - HE2 LYS 13 - HD3 LYS 39 poor 7 54 - 13 - HE3 LYS 39 - HD3 LYS 32 lone 7 68 - 10 - HE3 LYS 39 - HD2 LYS 32 lone 7 68 - 10 - HE3 LYS 13 - HD3 LYS 32 lone 7 94 - 7 - HE2 LYS 39 - HD2 LYS 73 lone 6 73 - 9 - HE2 LYS 39 - HD3 LYS 73 lone 6 73 - 9 - HE2 LYS 13 - HD3 LYS 32 lone 6 93 - 7 - HE3 LYS 13 - HD2 LYS 32 lone 6 95 - 7 - HE2 LYS 13 - HD2 LYS 32 lone 6 93 - 7 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 10 - HE3 LYS 39 - HD3 LYS 73 lone 6 68 - 9 - HE3 LYS 39 - HD2 LYS 73 lone 6 68 - 9 - HE3 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - HE2 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - HB3 TYR 55 - HD2 LYS 39 lone 2 56 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD3 LYS 39 lone 2 54 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD2 LYS 73 lone 2 93 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 93 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 96 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 95 - 2 - HB3 TYR 81 - HD2 LYS 73 lone 2 68 - 3 - HB3 TYR 81 - HD3 LYS 73 lone 2 68 - 3 - HB3 TYR 81 - HD2 LYS 39 lone 1 37 - 3 - ~4684=1 HB3 TYR 81 - HD3 LYS 39 lone 1 36 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 68 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 68 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 69 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 64 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 90 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 64 - 1 - Peak 1613 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 8 out of 84 assignments used, quality = 1.00: * HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 42 42 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 40 40 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 39 39 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 14 64 - 22 - ~1870=1, ~1871=1...(5) HE2 LYS 75 - HD2 LYS 39 OK 14 63 - 22 - ~1870=1, ~1871=1...(6) HE3 LYS 75 - HD3 LYS 39 OK 13 61 - 22 - ~1870=1, ~1871=1...(5) HE2 LYS 75 - HD3 LYS 39 OK 13 60 - 22 - ~1870=1, ~1871=1...(6) HE3 LYS 13 - HD3 LYS 73 OK 13 96 - 13 - HE3 LYS 13 - HD2 LYS 73 OK 13 96 - 13 - HE2 LYS 13 - HD3 LYS 73 OK 13 95 - 13 - HE2 LYS 13 - HD2 LYS 73 OK 13 95 - 13 - HE3 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE2 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE3 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HB3 TYR 55 - HD2 LYS 32 lone 8 92 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 8 92 - 8 - HE3 LYS 13 - HD2 LYS 39 poor 7 58 - 13 - HE2 LYS 39 - HD3 LYS 32 lone 7 76 - 10 - HE2 LYS 39 - HD2 LYS 32 lone 7 76 - 10 - HE2 LYS 13 - HD2 LYS 39 poor 7 57 - 12 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HE2 LYS 73 - HD2 LYS 39 poor 7 65 - 11 - HE3 LYS 13 - HD3 LYS 39 poor 7 56 - 13 - HE2 LYS 32 - HG2 ARG 71 lone 7 98 - 7 - HE3 LYS 32 - HG2 ARG 71 lone 7 98 - 7 - HE2 LYS 13 - HD3 LYS 39 poor 7 55 - 13 - HE3 LYS 73 - HD3 LYS 39 poor 7 63 - 11 - HE3 LYS 39 - HD3 LYS 32 lone 7 71 - 10 - HE3 LYS 39 - HD2 LYS 32 lone 7 71 - 10 - HE2 LYS 73 - HD3 LYS 39 poor 7 63 - 11 - HE2 LYS 39 - HD3 LYS 73 lone 7 76 - 9 - HE2 LYS 39 - HD2 LYS 73 lone 7 76 - 9 - HE3 LYS 13 - HD3 LYS 32 lone 7 95 - 7 - HE2 LYS 13 - HD3 LYS 32 lone 7 94 - 7 - HE3 LYS 13 - HD2 LYS 32 lone 6 96 - 7 - HE2 LYS 13 - HD2 LYS 32 lone 6 95 - 7 - HE3 LYS 39 - HD2 LYS 73 lone 6 71 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 6 71 - 9 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 10 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 10 - HE3 LYS 32 - HD3 LYS 39 lone 6 63 - 10 - HE2 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - HE3 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - HB3 TYR 55 - HD2 LYS 39 lone 2 55 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD3 LYS 39 lone 2 52 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD2 LYS 73 lone 2 92 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 92 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 96 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 96 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 71 - 3 - HB3 TYR 81 - HD2 LYS 73 lone 2 71 - 3 - HB3 TYR 81 - HD2 LYS 39 lone 1 39 - 3 - ~4684=1 HB3 TYR 81 - HD3 LYS 39 lone 1 37 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 87 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 71 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 71 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 71 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 66 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 91 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 90 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 66 - 1 - Peak 1614 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 4.83 A): 2 out of 30 assignments used, quality = 0.99: * H LYS 32 + HD3 LYS 32 OK 90 100 - 90 - 6.1=50, 564/3.0=30...(17) H LYS 32 + HD2 LYS 32 OK 90 100 - 90 - 6.1=50, 564/3.0=30...(17) H ARG 70 - HG2 ARG 71 OK 39 93 - 42 - 5390/5.0=16, 295/5.0=7...(12) H ARG 70 - HD3 LYS 32 OK 38 96 - 40 - 1584/3.0=6, 1594/3.0=6...(14) H ARG 70 - HD2 LYS 32 OK 38 95 - 40 - 1584/3.0=6, 1594/3.0=6...(14) H ARG 70 - HD3 LYS 73 OK 33 95 - 35 - 300/2.9=4, 771=3...(11) H ARG 70 - HD2 LYS 73 OK 33 95 - 35 - 300/2.9=4, 771=3...(11) H LEU 29 - HD3 LYS 32 OK 32 97 - 34 - 1594/3.0=8, 1584/3.0=6...(10) H LEU 29 - HD2 LYS 32 OK 32 96 - 33 - 1594/3.0=8, 1584/3.0=6...(10) H LYS 32 - HD3 LYS 73 OK 30 100 - 30 - 5542=4, 3.0/1561=3...(13) H LYS 32 - HD2 LYS 73 OK 30 100 - 30 - 5542=4, 3.0/1561=3...(13) H ASP 67 - HG2 ARG 71 OK 25 95 - 27 - 5808/3.8=8, 303/5.0=5...(7) H VAL 76 - HD3 LYS 73 OK 23 85 - 27 - 5431/5.2=6, 340/3.5=5...(9) H VAL 76 - HD2 LYS 73 OK 23 85 - 27 - 5431/5.2=6, 340/3.5=5...(9) H LEU 29 - HG2 ARG 71 OK 20 94 - 21 - 4184/3.8=7, 303/5.0=3...(4) H VAL 76 - HD3 LYS 32 OK 19 85 - 22 - 1584/3.0=3, 1594/3.0=3...(7) H VAL 76 - HD2 LYS 32 OK 18 85 - 22 - 1584/3.0=3, 1594/3.0=3...(7) H LEU 29 - HD3 LYS 73 OK 17 96 - 18 - 5534/2.9=2, 545/5.2=2, 908/6.1=2 H LEU 29 - HD2 LYS 73 OK 17 96 - 18 - 5534/2.9=2, 545/5.2=2, 908/6.1=2 H ASP 67 - HD3 LYS 32 OK 17 97 - 17 - 1584/3.0=3, 1594/3.0=3...(8) H ASP 67 - HD2 LYS 32 OK 17 97 - 17 - 1584/3.0=3, 1594/3.0=3...(8) H LYS 32 - HG2 ARG 71 OK 15 99 - 15 - 303/5.0=3, 5542=2...(5) H VAL 76 - HG2 ARG 71 OK 11 82 - 13 - 303/5.0=3, 340/2.8=2...(4) H ASP 67 - HD2 LYS 73 lone 7 97 - 8 - 5805/2.9=2 H ASP 67 - HD3 LYS 73 lone 7 97 - 8 - 5805/2.9=2 H VAL 76 - HD2 LYS 39 poor 7 45 - 15 - 340/3.5=4, 339/5.0=3...(4) H LEU 29 - HD2 LYS 39 lone 5 54 - 8 - H ARG 70 - HD2 LYS 39 lone 4 53 - 8 - 298/3.0=2, 297/3.5=1 H LYS 32 - HD2 LYS 39 lone 4 60 - 7 - H ASP 67 - HD2 LYS 39 lone 3 55 - 5 - 4737/5.0=1 Peak 1615 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.38 A): 2 out of 60 assignments used, quality = 1.00: * HA LYS 32 + HD3 LYS 32 OK 94 100 - 94 - 5.1=63, 1558/3.0=30...(33) HA LYS 32 + HD2 LYS 32 OK 93 100 - 93 - 5.1=63, 1558/3.0=30...(32) HA LYS 32 - HD2 LYS 73 OK 40 100 - 40 - 1561=4, 1561/1.8=4...(17) HA LYS 32 - HD3 LYS 73 OK 40 100 - 40 - 1561=4, 1561/1.8=4...(17) HA ALA 28 - HD3 LYS 32 OK 36 85 - 42 - 1472/3.0=6, 1585/3.0=5...(20) HA ALA 28 - HD2 LYS 32 OK 36 85 - 42 - 1472/3.0=6, 1585/3.0=5...(20) HA2 GLY 72 - HG2 ARG 71 OK 33 90 - 37 - 6034/5.0=8, 3.0/5840=8...(9) HA ARG 66 - HG2 ARG 71 OK 28 99 - 29 - 304/5.0=3, 2676/2.8=2...(11) HA2 GLY 72 - HD3 LYS 73 OK 26 93 - 28 - 5844/3.5=6, 3961/6.1=6...(12) HA2 GLY 72 - HD2 LYS 73 OK 26 93 - 28 - 5844/3.5=6, 3961/6.1=6...(12) HA ARG 70 - HD3 LYS 32 OK 24 71 - 34 - 2.9/771=3, 1585/3.0=3...(15) HA ARG 70 - HD2 LYS 32 OK 24 71 - 34 - 2.9/771=3, 1585/3.0=3...(15) HA VAL 76 - HD3 LYS 73 OK 23 98 - 24 - 5853/3.5=5, 320/6.1=3...(8) HA VAL 76 - HD2 LYS 73 OK 23 98 - 24 - 5853/3.5=5, 320/6.1=3...(8) HA ARG 70 - HD3 LYS 73 OK 22 71 - 32 - 5987/6.1=5, 5983/2.9=3...(12) HA ARG 70 - HD2 LYS 73 OK 22 71 - 32 - 5987/6.1=5, 5983/2.9=3...(12) HA ARG 70 - HG2 ARG 71 OK 20 68 - 30 - 3.6/778=6, 4.7/2900=4...(11) HA VAL 76 - HD3 LYS 32 OK 17 98 - 17 - 1585/3.0=2, 1595/3.0=2...(7) HA VAL 76 - HD2 LYS 32 OK 17 98 - 17 - 1585/3.0=2, 1595/3.0=2...(7) HA GLN 61 - HD2 LYS 32 OK 16 95 - 17 - 1595/3.0=3, 1585/3.0=3...(8) HA GLN 61 - HD3 LYS 32 OK 16 96 - 17 - 1595/3.0=3, 1585/3.0=3...(8) HA LYS 32 - HG2 ARG 71 OK 16 99 - 16 - 1561=2, 304/5.0=1...(6) HA ARG 66 - HD3 LYS 32 OK 13 100 - 13 - 3924/6.1=2, 1585/3.0=2 HA ARG 66 - HD2 LYS 32 OK 13 100 - 13 - 3924/6.1=2, 1585/3.0=2 HA2 GLY 72 - HD3 LYS 32 OK 13 93 - 14 - 3.6/791=2, 3.0/5840=2...(5) HA2 GLY 72 - HD2 LYS 32 OK 13 93 - 14 - 3.6/792=2, 3.0/5840=2...(5) HA ALA 28 - HG2 ARG 71 OK 11 82 - 13 - 783/5.0=1, ~4180=1, 3.0/72=1 HA GLU 50 - HD2 LYS 32 OK 10 94 - 11 - 3.0/5670=2, 3.6/660=2...(5) HA GLU 50 - HD3 LYS 32 OK 10 95 - 11 - 3.0/5670=2, 3.6/660=1...(5) HA LYS 32 - HD2 LYS 39 poor 9 60 - 14 - 1560=1 HA VAL 76 - HG2 ARG 71 lone 8 96 - 9 - 783/5.0=2, ~340=1 HA ALA 28 - HD3 LYS 73 lone 8 85 - 10 - 4175/2.9=1 HA ALA 28 - HD2 LYS 73 lone 8 85 - 10 - 4175/2.9=1 HA GLN 61 - HD3 LYS 73 lone 7 95 - 8 - ~4657=1 HA GLN 61 - HD2 LYS 73 lone 7 95 - 8 - ~4657=1 HA ARG 66 - HD2 LYS 73 lone 7 100 - 7 - 4733/2.9=1 HA ARG 66 - HD3 LYS 73 lone 7 100 - 7 - 4733/2.9=1 HA GLU 50 - HD3 LYS 73 lone 7 94 - 7 - HA GLU 50 - HD2 LYS 73 lone 7 94 - 7 - HA2 GLY 21 - HD3 LYS 32 lone 5 71 - 7 - HA2 GLY 21 - HD2 LYS 32 lone 5 71 - 7 - HA3 GLY 21 - HD3 LYS 32 lone 5 68 - 7 - HA3 GLY 21 - HD2 LYS 32 lone 5 68 - 7 - HA GLU 50 - HD2 LYS 39 lone 5 52 - 9 - 3.6/660=2, 3.0/5670=2, ~5670=1 HA VAL 76 - HD2 LYS 39 lone 4 56 - 8 - 5853/3.5=1, 5856/5.0=1 HA2 GLY 21 - HG2 ARG 71 lone 4 68 - 6 - HA3 GLY 21 - HG2 ARG 71 lone 4 65 - 6 - HA GLN 61 - HG2 ARG 71 lone 3 93 - 3 - 783/5.0=1 HA ARG 66 - HD2 LYS 39 lone 3 60 - 5 - 4733/3.0=1 HA2 GLY 21 - HD3 LYS 73 lone 3 71 - 4 - HA2 GLY 21 - HD2 LYS 73 lone 3 71 - 4 - HA3 GLY 21 - HD3 LYS 73 lone 3 68 - 4 - HA3 GLY 21 - HD2 LYS 73 lone 3 68 - 4 - HA GLN 61 - HD2 LYS 39 lone 3 53 - 5 - HA ALA 28 - HD2 LYS 39 lone 3 45 - 6 - ~5321=1 HA GLU 50 - HG2 ARG 71 lone 3 92 - 3 - HA2 GLY 72 - HD2 LYS 39 lone 2 51 - 4 - HA ARG 70 - HD2 LYS 39 lone 2 35 - 5 - HA2 GLY 21 - HD2 LYS 39 lone 1 35 - 3 - HA3 GLY 21 - HD2 LYS 39 lone 1 34 - 3 - Peak 1616 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.71 A): 7 out of 120 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 75 75 - 100 - 1.8=100 HB3 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) * HB2 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 73 + HD3 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 73 + HD2 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 39 - HD2 LYS 39 OK 36 56 - 65 - 3.5=45, 2.9/1868=4...(16) HB3 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HG3 ARG 26 - HG2 ARG 71 OK 21 68 - 31 - 1394=5, ~2932=2...(8) HB3 LYS 73 - HD3 LYS 32 OK 20 100 - 20 - 2.9/2995=1, 1597/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 19 100 - 20 - 2.9/2995=1, 1596/3.0=1 HB3 LYS 75 - HD3 LYS 73 OK 19 93 - 21 - HB3 LYS 75 - HD2 LYS 73 OK 19 93 - 21 - HB3 LYS 39 - HD2 LYS 73 OK 15 98 - 16 - HB3 LYS 39 - HD3 LYS 73 OK 15 98 - 16 - HB2 ARG 54 - HD3 LYS 32 OK 14 99 - 15 - 1597/3.0=1, 1586/3.0=1 HB2 ARG 54 - HD2 LYS 32 OK 14 99 - 14 - 1596/3.0=1, 1586/3.0=1 HB3 LYS 75 - HD2 LYS 39 OK 13 51 - 26 - 1865/3.0=2, ~1864=2...(8) HG2 PRO 34 - HD3 LYS 32 OK 13 93 - 14 - HG2 PRO 34 - HD2 LYS 32 OK 13 93 - 14 - HB2 PRO 34 - HG2 ARG 71 OK 12 98 - 13 - HB3 ARG 17 - HG2 ARG 71 OK 11 55 - 21 - 1167=1, ~1149=1...(7) HB2 PRO 34 - HD3 LYS 32 OK 11 99 - 11 - HG2 PRO 34 - HG2 ARG 71 OK 11 90 - 12 - 1723/2.8=1, 1723/2.8=1 HB3 LYS 39 - HD3 LYS 32 OK 11 98 - 11 - HB2 ARG 54 - HD2 LYS 39 OK 11 57 - 19 - 2310/3.0=2, 2312/1.8=2...(7) HB2 PRO 34 - HD2 LYS 32 OK 11 99 - 11 - HB3 LYS 39 - HD2 LYS 32 lone 10 98 - 10 - HG3 ARG 71 - HD3 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HD2 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HB2 LYS 32 - HG2 ARG 71 lone 8 99 - 8 - HB3 LYS 32 - HG2 ARG 71 lone 8 99 - 8 - HB2 LYS 13 - HD3 LYS 73 lone 8 90 - 9 - HB2 LYS 13 - HD2 LYS 73 lone 8 90 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 7 93 - 8 - HB2 LYS 85 - HD2 LYS 73 poor 7 60 - 12 - HB2 LYS 85 - HD3 LYS 73 poor 7 60 - 12 - HB ILE 33 - HD3 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB ILE 33 - HD2 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB3 LYS 75 - HD2 LYS 32 lone 7 93 - 7 - HB3 LYS 73 - HD2 LYS 39 poor 6 59 - 11 - HG3 ARG 71 - HD3 LYS 73 lone 6 78 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 78 - 8 - HB2 LYS 32 - HD2 LYS 39 poor 6 60 - 10 - HB3 LYS 32 - HD2 LYS 39 poor 6 60 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD3 LYS 32 lone 5 99 - 5 - HB2 LEU 57 - HD2 LYS 32 lone 5 99 - 5 - HB3 ARG 84 - HD2 LYS 73 lone 5 60 - 9 - HB3 ARG 84 - HD3 LYS 73 lone 5 60 - 9 - HB3 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - 5841/5.0=1 HB2 LYS 83 - HD2 LYS 73 lone 5 99 - 5 - HB2 LYS 83 - HD3 LYS 73 lone 5 99 - 5 - HG2 PRO 34 - HD2 LYS 39 lone 5 51 - 9 - 1723/3.5=1 HB2 PRO 34 - HD2 LYS 39 lone 5 58 - 8 - HB2 ARG 69 - HD3 LYS 73 lone 4 60 - 7 - HB2 ARG 69 - HD2 LYS 73 lone 4 60 - 7 - HB3 ARG 82 - HD2 LYS 73 lone 4 99 - 4 - HB3 ARG 82 - HD3 LYS 73 lone 4 99 - 4 - HB2 LYS 13 - HD2 LYS 39 lone 4 49 - 7 - HB3 ARG 84 - HG2 ARG 71 lone 3 57 - 6 - HB3 LYS 75 - HG2 ARG 71 lone 3 90 - 4 - HB2 LYS 13 - HD3 LYS 32 lone 3 90 - 3 - HB2 LYS 13 - HD2 LYS 32 lone 3 90 - 3 - HB2 LEU 62 - HG2 ARG 71 lone 3 63 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 3 60 - 5 - HB3 ARG 84 - HD2 LYS 32 lone 3 60 - 5 - HG3 ARG 26 - HD3 LYS 32 lone 3 71 - 4 - HB2 ARG 54 - HD2 LYS 73 lone 3 99 - 3 - HB2 ARG 54 - HD3 LYS 73 lone 3 99 - 3 - HG3 ARG 26 - HD2 LYS 32 lone 3 71 - 4 - HB2 LEU 62 - HD3 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 32 lone 3 65 - 4 - HB3 ARG 82 - HD3 LYS 32 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 99 - 3 - HB2 LEU 62 - HD2 LYS 73 lone 3 65 - 4 - HB2 LEU 62 - HD3 LYS 73 lone 3 65 - 4 - HG2 PRO 34 - HD3 LYS 73 lone 2 93 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 2 93 - 3 - HB2 LEU 57 - HD2 LYS 39 lone 3 58 - 4 - HB3 LYS 39 - HG2 ARG 71 lone 2 96 - 2 - HB3 ARG 82 - HG2 ARG 71 lone 2 97 - 2 - HB2 LEU 62 - HD2 LYS 39 lone 2 32 - 7 - HB2 ARG 69 - HD3 LYS 32 lone 2 60 - 3 - HB2 PRO 34 - HD3 LYS 73 lone 2 99 - 2 - HB2 PRO 34 - HD2 LYS 73 lone 2 99 - 2 - HB3 ARG 82 - HD2 LYS 39 lone 2 57 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 57 - 3 - HB3 ARG 17 - HD3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 73 lone 2 57 - 3 - HB2 LYS 85 - HD3 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 32 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 32 lone 2 57 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 60 - 3 - HB2 ARG 69 - HG2 ARG 71 lone 2 57 - 3 - HG3 ARG 26 - HD3 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 71 - 2 - HB2 LYS 83 - HD3 LYS 32 lone 1 99 - 1 - HB2 LYS 83 - HD2 LYS 32 lone 1 99 - 1 - HB2 LEU 57 - HG2 ARG 71 lone 1 97 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HD2 LYS 73 lone 1 100 - 1 - HB ILE 33 - HD3 LYS 73 lone 1 100 - 1 - HB2 LYS 85 - HD2 LYS 39 lone 1 29 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 1 29 - 4 - HB ILE 33 - HG2 ARG 71 lone 1 98 - 1 - HB2 LYS 83 - HG2 ARG 71 lone 1 97 - 1 - HB2 LYS 85 - HG2 ARG 71 lone 1 57 - 2 - HB ILE 33 - HD2 LYS 39 lone 1 59 - 2 - HB3 ARG 84 - HD2 LYS 39 lone 1 29 - 3 - HB2 LYS 13 - HG2 ARG 71 lone 1 87 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 0 40 - 1 - HB3 ARG 17 - HD2 LYS 39 lone 0 28 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 35 - 0 - Peak 1617 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.71 A): 7 out of 120 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 75 75 - 100 - 1.8=100 * HB3 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD3 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB2 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 65 100 - 65 - 3.5=47, ~1558=4...(16) HB3 LYS 73 + HD3 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 73 + HD2 LYS 73 OK 53 100 - 53 - 3.5=45, 4.0/792=2, 3.0/3019=2 HB3 LYS 39 - HD2 LYS 39 OK 36 56 - 65 - 3.5=45, 2.9/1868=4...(16) HB3 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD2 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD3 LYS 73 OK 28 100 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HG3 ARG 26 - HG2 ARG 71 OK 21 68 - 31 - 1394=5, ~2932=2...(8) HB3 LYS 73 - HD3 LYS 32 OK 20 100 - 20 - 2.9/2995=1, 1597/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 19 100 - 20 - 2.9/2995=1, 1596/3.0=1 HB3 LYS 75 - HD3 LYS 73 OK 19 93 - 21 - HB3 LYS 75 - HD2 LYS 73 OK 19 93 - 21 - HB3 LYS 39 - HD2 LYS 73 OK 15 98 - 16 - HB3 LYS 39 - HD3 LYS 73 OK 15 98 - 16 - HB2 ARG 54 - HD3 LYS 32 OK 14 99 - 15 - 1597/3.0=1, 1586/3.0=1 HB2 ARG 54 - HD2 LYS 32 OK 14 99 - 14 - 1596/3.0=1, 1586/3.0=1 HB3 LYS 75 - HD2 LYS 39 OK 13 51 - 26 - 1865/3.0=2, ~1864=2...(8) HG2 PRO 34 - HD3 LYS 32 OK 13 93 - 14 - HG2 PRO 34 - HD2 LYS 32 OK 13 93 - 14 - HB2 PRO 34 - HG2 ARG 71 OK 12 98 - 13 - HB3 ARG 17 - HG2 ARG 71 OK 11 55 - 21 - 1167=1, ~1149=1...(7) HB2 PRO 34 - HD3 LYS 32 OK 11 99 - 11 - HG2 PRO 34 - HG2 ARG 71 OK 11 90 - 12 - 1723/2.8=1, 1723/2.8=1 HB3 LYS 39 - HD3 LYS 32 OK 11 98 - 11 - HB2 ARG 54 - HD2 LYS 39 OK 11 57 - 19 - 2310/3.0=2, 2312/1.8=2...(7) HB2 PRO 34 - HD2 LYS 32 OK 11 99 - 11 - HB3 LYS 39 - HD2 LYS 32 lone 10 98 - 10 - HG3 ARG 71 - HD3 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HG3 ARG 71 - HD2 LYS 32 poor 9 78 - 12 - 2932=2, 2932/1.8=1 HB2 LYS 32 - HG2 ARG 71 lone 8 99 - 8 - HB3 LYS 32 - HG2 ARG 71 lone 8 99 - 8 - HB2 LYS 13 - HD3 LYS 73 lone 8 90 - 9 - HB2 LYS 13 - HD2 LYS 73 lone 8 90 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 7 93 - 8 - HB2 LYS 85 - HD2 LYS 73 poor 7 60 - 12 - HB2 LYS 85 - HD3 LYS 73 poor 7 60 - 12 - HB ILE 33 - HD3 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB ILE 33 - HD2 LYS 32 lone 7 100 - 7 - 4219/3.0=2, 1587/3.0=1 HB3 LYS 75 - HD2 LYS 32 lone 7 93 - 7 - HB3 LYS 73 - HD2 LYS 39 poor 6 59 - 11 - HG3 ARG 71 - HD3 LYS 73 lone 6 78 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 78 - 8 - HB2 LYS 32 - HD2 LYS 39 poor 6 60 - 10 - HB3 LYS 32 - HD2 LYS 39 poor 6 60 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD2 LYS 73 lone 6 99 - 6 - HB2 LEU 57 - HD3 LYS 32 lone 5 99 - 5 - HB2 LEU 57 - HD2 LYS 32 lone 5 99 - 5 - HB3 ARG 84 - HD2 LYS 73 lone 5 60 - 9 - HB3 ARG 84 - HD3 LYS 73 lone 5 60 - 9 - HB3 LYS 73 - HG2 ARG 71 lone 5 98 - 5 - 5841/5.0=1 HB2 LYS 83 - HD2 LYS 73 lone 5 99 - 5 - HB2 LYS 83 - HD3 LYS 73 lone 5 99 - 5 - HG2 PRO 34 - HD2 LYS 39 lone 5 51 - 9 - 1723/3.5=1 HB2 PRO 34 - HD2 LYS 39 lone 5 58 - 8 - HB2 ARG 69 - HD3 LYS 73 lone 4 60 - 7 - HB2 ARG 69 - HD2 LYS 73 lone 4 60 - 7 - HB3 ARG 82 - HD2 LYS 73 lone 4 99 - 4 - HB3 ARG 82 - HD3 LYS 73 lone 4 99 - 4 - HB2 LYS 13 - HD2 LYS 39 lone 4 49 - 7 - HB3 ARG 84 - HG2 ARG 71 lone 3 57 - 6 - HB3 LYS 75 - HG2 ARG 71 lone 3 90 - 4 - HB2 LYS 13 - HD3 LYS 32 lone 3 90 - 3 - HB2 LYS 13 - HD2 LYS 32 lone 3 90 - 3 - HB2 LEU 62 - HG2 ARG 71 lone 3 63 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 3 60 - 5 - HB3 ARG 84 - HD2 LYS 32 lone 3 60 - 5 - HG3 ARG 26 - HD3 LYS 32 lone 3 71 - 4 - HB2 ARG 54 - HD2 LYS 73 lone 3 99 - 3 - HB2 ARG 54 - HD3 LYS 73 lone 3 99 - 3 - HG3 ARG 26 - HD2 LYS 32 lone 3 71 - 4 - HB2 LEU 62 - HD3 LYS 32 lone 3 65 - 4 - HB2 LEU 62 - HD2 LYS 32 lone 3 65 - 4 - HB3 ARG 82 - HD3 LYS 32 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 99 - 3 - HB2 LEU 62 - HD2 LYS 73 lone 3 65 - 4 - HB2 LEU 62 - HD3 LYS 73 lone 3 65 - 4 - HG2 PRO 34 - HD3 LYS 73 lone 2 93 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 2 93 - 3 - HB2 LEU 57 - HD2 LYS 39 lone 3 58 - 4 - HB3 LYS 39 - HG2 ARG 71 lone 2 96 - 2 - HB3 ARG 82 - HG2 ARG 71 lone 2 97 - 2 - HB2 LEU 62 - HD2 LYS 39 lone 2 32 - 7 - HB2 ARG 69 - HD3 LYS 32 lone 2 60 - 3 - HB2 PRO 34 - HD3 LYS 73 lone 2 99 - 2 - HB2 PRO 34 - HD2 LYS 73 lone 2 99 - 2 - HB3 ARG 82 - HD2 LYS 39 lone 2 57 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 57 - 3 - HB3 ARG 17 - HD3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 73 lone 2 57 - 3 - HB2 LYS 85 - HD3 LYS 32 lone 2 60 - 3 - HB3 ARG 17 - HD3 LYS 32 lone 2 57 - 3 - HB3 ARG 17 - HD2 LYS 32 lone 2 57 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 60 - 3 - HB2 ARG 69 - HG2 ARG 71 lone 2 57 - 3 - HG3 ARG 26 - HD3 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 71 - 2 - HB2 LYS 83 - HD3 LYS 32 lone 1 99 - 1 - HB2 LYS 83 - HD2 LYS 32 lone 1 99 - 1 - HB2 LEU 57 - HG2 ARG 71 lone 1 97 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HD2 LYS 73 lone 1 100 - 1 - HB ILE 33 - HD3 LYS 73 lone 1 100 - 1 - HB2 LYS 85 - HD2 LYS 39 lone 1 29 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 1 29 - 4 - HB ILE 33 - HG2 ARG 71 lone 1 98 - 1 - HB2 LYS 83 - HG2 ARG 71 lone 1 97 - 1 - HB2 LYS 85 - HG2 ARG 71 lone 1 57 - 2 - HB ILE 33 - HD2 LYS 39 lone 1 59 - 2 - HB3 ARG 84 - HD2 LYS 39 lone 1 29 - 3 - HB2 LYS 13 - HG2 ARG 71 lone 1 87 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 0 40 - 1 - HB3 ARG 17 - HD2 LYS 39 lone 0 28 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 35 - 0 - Peak 1618 from cnoeabs.peaks (1.28, 1.61, 28.78 ppm; 4.29 A): 4 out of 18 assignments used, quality = 1.00: * HG2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HG2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HG2 LYS 32 + HD2 LYS 73 OK 56 100 - 57 - 1591=5, 1591/1.8=5...(26) HG2 LYS 32 + HD3 LYS 73 OK 56 100 - 57 - 1591=5, 1591/1.8=5...(26) HG2 ARG 54 - HD3 LYS 32 OK 32 76 - 42 - 1598/3.0=5, 1558/5.1=4...(18) HG2 ARG 54 - HD2 LYS 32 OK 31 76 - 41 - 1598/3.0=5, 1558/5.1=4...(18) HG2 LYS 32 - HG2 ARG 71 OK 20 99 - 20 - 1591=2, 1.8/1601=2...(4) HG2 ARG 54 - HD2 LYS 39 OK 15 38 - 38 - 2326/3.0=4, ~1876=3...(16) HG2 LYS 32 - HD2 LYS 39 OK 14 60 - 23 - 1590=1, 1590/1.8=1...(6) QG2 THR 58 - HD3 LYS 32 lone 5 60 - 8 - 564/6.1=2, ~2477=1...(4) QG2 THR 58 - HD2 LYS 32 lone 5 60 - 8 - 564/6.1=2, ~2477=1...(4) HG2 ARG 54 - HD2 LYS 73 lone 4 76 - 5 - HG2 ARG 54 - HD3 LYS 73 lone 4 76 - 5 - HG2 ARG 54 - HG2 ARG 71 lone 2 73 - 3 - QG2 THR 58 - HD2 LYS 73 lone 1 60 - 1 - QG2 THR 58 - HD3 LYS 73 lone 1 60 - 1 - QG2 THR 58 - HG2 ARG 71 lone 1 57 - 1 - QG2 THR 58 - HD2 LYS 39 lone 0 29 - 1 - Peak 1619 from cnoeabs.peaks (1.33, 1.61, 28.78 ppm; 4.26 A): 8 out of 42 assignments used, quality = 1.00: * HG3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HG3 LYS 32 + HD2 LYS 73 OK 59 100 - 59 - 1601=5, 1.8/1591=5...(27) HG3 LYS 32 + HD3 LYS 73 OK 59 100 - 59 - 1601=5, 1.8/1591=5...(27) HB2 LEU 51 + HD3 LYS 32 OK 47 99 - 48 - 1589/3.0=4, ~2225=2...(34) QB ALA 28 + HD3 LYS 32 OK 45 97 - 47 - 1589/3.0=6, 4180/3.5=5...(21) QB ALA 28 + HD2 LYS 32 OK 45 97 - 47 - 1589/3.0=6, 4180/3.5=5...(19) HB2 LEU 51 + HD2 LYS 32 OK 45 99 - 46 - 1589/3.0=4, ~2225=2...(32) HB2 LEU 51 - HD2 LYS 39 OK 36 58 - 63 - ~6087=12, ~6085=6...(27) HG2 ARG 54 - HD3 LYS 32 OK 29 78 - 37 - 1589/3.0=3, 2325/3.5=3...(15) HG2 ARG 54 - HD2 LYS 32 OK 28 78 - 37 - 1589/3.0=3, 2325/3.5=3...(15) HB2 LEU 52 - HD2 LYS 32 OK 25 99 - 26 - 1589/3.0=2, 1559/5.1=2...(15) HB2 LEU 52 - HD3 LYS 32 OK 25 99 - 26 - 1589/3.0=2, 1559/5.1=2...(15) HB2 LEU 51 - HD2 LYS 73 OK 22 99 - 22 - ~5255=2, ~6094=1...(8) HB2 LEU 51 - HD3 LYS 73 OK 22 99 - 22 - ~5255=2, ~6094=1...(8) HG3 LYS 32 - HG2 ARG 71 OK 21 99 - 22 - 1.8/1618=2, 4161/3.8=2...(5) HB2 LEU 52 - HD3 LYS 73 OK 16 99 - 16 - 4.6/4964=2, 2261/2.9=1 HB2 LEU 52 - HD2 LYS 73 OK 16 99 - 16 - 4.6/4964=2, 2261/2.9=1 QB ALA 28 - HG2 ARG 71 OK 16 95 - 17 - 4181/3.8=4, 4180/1.8=2, 2.9/72=1 HG2 ARG 54 - HD2 LYS 39 OK 15 40 - 38 - 2326/3.0=4, ~1876=2...(15) HG3 LYS 32 - HD2 LYS 39 OK 15 60 - 24 - 1.8/1608=1, 1600=1...(6) QB ALA 28 - HD3 LYS 73 lone 9 97 - 9 - QB ALA 28 - HD2 LYS 73 lone 9 97 - 9 - QG2 THR 58 - HD3 LYS 32 lone 7 90 - 8 - 565/6.1=2, ~2477=1 QG2 THR 58 - HD2 LYS 32 lone 7 90 - 8 - 565/6.1=2, ~2477=1 HB2 LEU 52 - HD2 LYS 39 lone 5 58 - 9 - 3.9/196=1, 4.6/4964=1 HG2 ARG 54 - HD2 LYS 73 lone 4 78 - 5 - HG2 ARG 54 - HD3 LYS 73 lone 4 78 - 5 - HB2 LEU 51 - HG2 ARG 71 lone 4 97 - 4 - QB ALA 28 - HD2 LYS 39 lone 4 55 - 7 - 5321/3.0=2 QB ALA 12 - HD3 LYS 32 lone 4 100 - 3 - QB ALA 12 - HD2 LYS 32 lone 4 100 - 3 - HB2 LEU 52 - HG2 ARG 71 lone 3 97 - 3 - HG2 ARG 54 - HG2 ARG 71 lone 2 75 - 3 - QB ALA 12 - HD2 LYS 73 lone 2 100 - 2 - QB ALA 12 - HD3 LYS 73 lone 2 100 - 2 - QB ALA 12 - HD2 LYS 39 lone 1 59 - 2 - QB ALA 12 - HG2 ARG 71 lone 1 98 - 1 - QG2 THR 58 - HD2 LYS 73 lone 1 90 - 2 - QG2 THR 58 - HD3 LYS 73 lone 1 90 - 2 - QG2 THR 58 - HG2 ARG 71 lone 1 87 - 1 - QG2 THR 58 - HD2 LYS 39 lone 1 49 - 2 - Peak 1620 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 96 96 - 100 HD2 LYS 39 - HD2 LYS 39 OK 32 32 - 100 Reference assignment not found: HD2 LYS 32 - HD3 LYS 32 Peak 1621 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 97 97 - 100 HD2 LYS 39 - HD2 LYS 39 OK 29 29 - 100 Peak 1622 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 8 out of 72 assignments used, quality = 1.00: * HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 34 34 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 13 - HD2 LYS 73 OK 13 94 - 13 - HE3 LYS 13 - HD3 LYS 73 OK 13 94 - 13 - HE3 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE2 LYS 13 - HD3 LYS 73 OK 13 93 - 13 - HE2 LYS 13 - HD2 LYS 73 OK 13 93 - 13 - HE2 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE3 LYS 75 - HD2 LYS 39 OK 12 58 - 22 - ~1870=1, ~1871=1...(4) HE3 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD2 LYS 39 OK 12 57 - 22 - ~1870=1, ~1871=1...(5) HE2 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HB3 TYR 55 - HD3 LYS 32 lone 8 93 - 8 - HB3 TYR 55 - HD2 LYS 32 lone 8 93 - 8 - HE2 LYS 39 - HD3 LYS 32 lone 7 73 - 10 - HE2 LYS 32 - HG2 ARG 71 lone 7 99 - 7 - HE3 LYS 32 - HG2 ARG 71 lone 7 99 - 7 - HE2 LYS 39 - HD2 LYS 32 lone 7 73 - 9 - HE3 LYS 39 - HD3 LYS 32 lone 7 68 - 10 - HE3 LYS 13 - HD3 LYS 32 lone 7 95 - 7 - HE3 LYS 73 - HD2 LYS 39 poor 7 60 - 11 - HE2 LYS 73 - HD2 LYS 39 poor 6 60 - 11 - HE3 LYS 39 - HD2 LYS 32 lone 6 68 - 9 - HE2 LYS 13 - HD3 LYS 32 lone 6 93 - 7 - HE3 LYS 13 - HD2 LYS 39 poor 6 52 - 12 - HE3 LYS 13 - HD2 LYS 32 lone 6 94 - 7 - HE2 LYS 13 - HD2 LYS 32 lone 6 93 - 7 - HE2 LYS 13 - HD2 LYS 39 poor 6 51 - 12 - HE2 LYS 39 - HD3 LYS 73 lone 6 73 - 9 - HE2 LYS 39 - HD2 LYS 73 lone 6 73 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 6 68 - 9 - HE3 LYS 39 - HD2 LYS 73 lone 6 68 - 9 - HE2 LYS 32 - HD2 LYS 39 lone 6 60 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 60 - 9 - HE3 LYS 73 - HG2 ARG 71 lone 5 99 - 5 - HE2 LYS 73 - HG2 ARG 71 lone 5 99 - 5 - HB3 TYR 55 - HD2 LYS 39 lone 2 51 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD2 LYS 73 lone 2 93 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 93 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 97 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 97 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 68 - 3 - HB3 TYR 81 - HD2 LYS 73 lone 2 68 - 3 - HB3 TYR 55 - HG2 ARG 71 lone 1 90 - 1 - HB3 TYR 81 - HD2 LYS 39 lone 1 34 - 3 - ~4684=1 HB3 TYR 81 - HD3 LYS 32 lone 1 68 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 68 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 70 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 65 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 92 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 90 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 65 - 1 - Peak 1623 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 8 out of 72 assignments used, quality = 1.00: * HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 38 38 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 35 35 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 28 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 27 100 - 28 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 23 99 - 24 - 6146/2.9=1, 3042/2.9=1 HE2 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 19 100 - 19 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 13 - HD2 LYS 73 OK 13 95 - 13 - HE3 LYS 13 - HD3 LYS 73 OK 13 95 - 13 - HE2 LYS 13 - HD2 LYS 73 OK 13 94 - 13 - HE2 LYS 13 - HD3 LYS 73 OK 13 94 - 13 - HE3 LYS 75 - HD2 LYS 39 OK 13 58 - 22 - ~1870=1, ~1871=1...(5) HE3 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE2 LYS 75 - HD3 LYS 32 OK 13 99 - 13 - HE2 LYS 75 - HD2 LYS 39 OK 13 58 - 22 - ~1870=1, ~1871=1...(6) HE3 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD2 LYS 32 OK 12 99 - 12 - HB3 TYR 55 - HD3 LYS 32 lone 8 92 - 8 - HB3 TYR 55 - HD2 LYS 32 lone 8 92 - 8 - HE2 LYS 39 - HD3 LYS 32 lone 7 76 - 10 - HE2 LYS 39 - HD2 LYS 32 lone 7 76 - 9 - HE2 LYS 32 - HG2 ARG 71 lone 7 99 - 7 - HE3 LYS 32 - HG2 ARG 71 lone 7 99 - 7 - HE3 LYS 39 - HD3 LYS 32 lone 7 71 - 10 - HE3 LYS 39 - HD2 LYS 32 lone 7 71 - 9 - HE3 LYS 13 - HD2 LYS 39 poor 7 53 - 12 - HE3 LYS 13 - HD3 LYS 32 lone 7 96 - 7 - HE3 LYS 73 - HD2 LYS 39 poor 7 60 - 11 - HE2 LYS 13 - HD3 LYS 32 lone 7 95 - 7 - HE2 LYS 73 - HD2 LYS 39 poor 7 60 - 11 - HE2 LYS 13 - HD2 LYS 39 poor 7 52 - 12 - HE3 LYS 13 - HD2 LYS 32 lone 6 95 - 7 - HE2 LYS 39 - HD3 LYS 73 lone 6 76 - 9 - HE2 LYS 39 - HD2 LYS 73 lone 6 76 - 9 - HE2 LYS 13 - HD2 LYS 32 lone 6 94 - 7 - HE3 LYS 39 - HD3 LYS 73 lone 6 71 - 9 - HE3 LYS 39 - HD2 LYS 73 lone 6 71 - 9 - HE2 LYS 32 - HD2 LYS 39 lone 6 60 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 60 - 9 - HE2 LYS 73 - HG2 ARG 71 lone 5 99 - 5 - HE3 LYS 73 - HG2 ARG 71 lone 5 99 - 5 - HB3 TYR 55 - HD2 LYS 39 lone 2 50 - 4 - ~4634=2, ~5148=1 HB3 TYR 55 - HD2 LYS 73 lone 2 92 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 92 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 98 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 97 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 71 - 3 - HB3 TYR 81 - HD2 LYS 73 lone 2 71 - 3 - HB3 TYR 81 - HD2 LYS 39 lone 1 35 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 71 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 71 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 73 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 68 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 93 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 92 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 68 - 1 - Peak 1626 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 200 assignments used, quality = 1.00: * HB2 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB2 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 73 + HE3 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(16) HB3 LYS 73 + HE2 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(15) HB3 LYS 75 + HE3 LYS 75 OK 58 91 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 75 + HE2 LYS 75 OK 57 90 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 48 69 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB2 LYS 13 + HE3 LYS 13 OK 47 78 - 60 - 5.2=32, 1005/2.9=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 46 76 - 60 - 5.2=32, 1005/2.9=3...(25) HB3 LYS 39 - HE3 LYS 39 OK 44 64 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB3 LYS 39 - HE3 LYS 75 OK 41 96 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 40 96 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 73 - HE3 LYS 75 OK 34 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB3 LYS 73 - HE2 LYS 75 OK 34 98 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB2 LYS 13 - HE3 LYS 75 OK 30 88 - 34 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 30 87 - 34 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 27 81 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 1597/3.9=1, 1586/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 1596/3.9=1, 1587/3.9=1 HB3 LYS 75 - HE2 LYS 13 OK 26 80 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 75 - HE3 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 75 - HE2 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 13 OK 23 87 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 13 OK 23 86 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 73 - HE3 LYS 13 OK 21 90 - 23 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 20 89 - 23 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 19 63 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 39 - HE2 LYS 32 OK 19 98 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 18 98 - 19 - HB3 LYS 75 - HE3 LYS 39 OK 18 59 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HG2 PRO 34 - HE2 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HG2 PRO 34 - HE3 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HB2 PRO 34 - HE2 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 PRO 34 - HE3 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 ARG 54 - HE2 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE2 LYS 39 OK 13 70 - 19 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 75 - HE2 LYS 32 OK 13 93 - 13 - HB3 LYS 75 - HE3 LYS 32 OK 13 93 - 13 - HB2 ARG 54 - HE3 LYS 39 OK 12 65 - 19 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 32 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 11 68 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 11 68 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - HB2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - HB2 LYS 85 - HE3 LYS 75 OK 11 58 - 19 - ~3447=1 HB2 LEU 57 - HE3 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LYS 85 - HE2 LYS 75 OK 11 57 - 19 - ~3447=1 HB3 LYS 73 - HE3 LYS 39 OK 11 67 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LEU 57 - HE2 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LEU 57 - HE3 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB3 LYS 32 - HE3 LYS 13 lone 9 91 - 10 - HB2 LYS 32 - HE3 LYS 13 lone 9 91 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 90 - 10 - HB2 LYS 32 - HE2 LYS 13 lone 9 90 - 10 - HB ILE 33 - HE2 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1586/3.9=1 HB ILE 33 - HE3 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB2 LYS 13 - HE2 LYS 39 poor 8 60 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE3 LYS 73 poor 8 60 - 13 - HB2 LYS 85 - HE2 LYS 73 poor 8 60 - 13 - HG3 ARG 71 - HE2 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HG3 ARG 71 - HE3 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HB2 LYS 85 - HE3 LYS 13 poor 7 49 - 15 - 1021/3.8=2 HB2 LEU 57 - HE3 LYS 13 lone 7 89 - 8 - 3.1/4604=1, 2438/3.8=1 HB2 LYS 85 - HE2 LYS 13 poor 7 48 - 15 - 1021/3.8=2 HB2 PRO 34 - HE2 LYS 39 poor 7 71 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE2 LYS 13 lone 7 87 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 LYS 13 - HE3 LYS 39 poor 7 56 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 69 - HE3 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HG2 PRO 34 - HE2 LYS 39 poor 7 63 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 PRO 34 - HE3 LYS 39 poor 7 66 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 ARG 69 - HE2 LYS 75 poor 7 57 - 12 - 2795/3.5=1, 2795/3.5=1 HB ILE 33 - HE3 LYS 13 lone 6 90 - 7 - 1655/3.8=2, 1655/3.8=1 HB2 LYS 13 - HE2 LYS 32 lone 6 90 - 7 - HB ILE 33 - HE2 LYS 13 lone 6 89 - 7 - 1655/3.8=2, 1655/3.8=1 HB2 LYS 13 - HE3 LYS 32 lone 6 90 - 7 - HB2 LEU 57 - HE3 LYS 75 lone 6 97 - 6 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 75 lone 6 97 - 6 - HG2 PRO 34 - HE3 LYS 39 poor 6 59 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 LYS 83 - HE3 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 96 - 6 - HG2 PRO 34 - HE3 LYS 73 lone 6 93 - 6 - HG2 PRO 34 - HE2 LYS 73 lone 6 93 - 6 - HB2 PRO 34 - HE3 LYS 73 lone 6 99 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 6 99 - 5 - HG3 ARG 71 - HE2 LYS 73 lone 5 78 - 6 - HG3 ARG 71 - HE3 LYS 73 lone 5 78 - 6 - HB2 LEU 57 - HE2 LYS 39 lone 5 71 - 7 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 99 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 4 99 - 4 - HB2 LEU 57 - HE3 LYS 39 lone 4 66 - 7 - 4982/3.6=1 HB3 ARG 84 - HE2 LYS 73 lone 4 60 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 4 60 - 7 - HB2 LYS 83 - HE3 LYS 73 lone 4 99 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 4 99 - 4 - HB2 ARG 69 - HE3 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 54 - HE3 LYS 75 lone 4 97 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 4 96 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 91 - 4 - HB3 ARG 82 - HE3 LYS 73 lone 3 99 - 3 - HB3 ARG 82 - HE2 LYS 73 lone 3 99 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 90 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 98 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 97 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 88 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 87 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 70 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 70 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 3 60 - 4 - HB2 LEU 62 - HE2 LYS 39 lone 3 41 - 6 - HB2 LYS 85 - HE3 LYS 32 lone 3 60 - 4 - HB3 ARG 82 - HE2 LYS 32 lone 2 99 - 2 - HB2 ARG 69 - HE3 LYS 13 lone 3 49 - 5 - HB3 ARG 82 - HE3 LYS 32 lone 2 99 - 2 - HB2 PRO 34 - HE3 LYS 13 lone 2 89 - 3 - HB2 ARG 69 - HE2 LYS 13 lone 2 48 - 5 - HB2 PRO 34 - HE2 LYS 13 lone 2 88 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 100 - 2 - HB2 LEU 62 - HE2 LYS 32 lone 2 65 - 4 - HB2 LEU 62 - HE3 LYS 32 lone 2 65 - 4 - HB3 ARG 82 - HE3 LYS 39 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 75 lone 2 98 - 2 - HB2 LEU 62 - HE3 LYS 39 lone 2 37 - 6 - HB ILE 33 - HE2 LYS 75 lone 2 98 - 2 - HB3 ARG 84 - HE2 LYS 32 lone 2 60 - 4 - HB3 ARG 84 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HE2 LYS 32 lone 2 71 - 3 - HG3 ARG 26 - HE3 LYS 32 lone 2 71 - 3 - HB2 LEU 62 - HE3 LYS 73 lone 2 65 - 3 - HB2 LEU 62 - HE2 LYS 73 lone 2 65 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 2 60 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 71 - HE3 LYS 75 lone 2 76 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 72 - 3 - HG3 ARG 71 - HE2 LYS 75 lone 2 75 - 3 - HG2 PRO 34 - HE3 LYS 13 lone 2 81 - 2 - HB2 LYS 85 - HE2 LYS 39 lone 2 37 - 5 - HG2 PRO 34 - HE2 LYS 13 lone 2 80 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 67 - 3 - HB2 LYS 85 - HE3 LYS 39 lone 2 34 - 5 - HB2 ARG 54 - HE3 LYS 13 lone 2 88 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 99 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 99 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 2 87 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 2 97 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 2 96 - 2 - HB2 ARG 69 - HE2 LYS 39 lone 2 37 - 5 - HB3 ARG 17 - HE2 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE2 LYS 32 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 32 lone 2 57 - 3 - HB3 ARG 82 - HE3 LYS 13 lone 2 88 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 2 87 - 2 - HB2 ARG 69 - HE3 LYS 39 lone 2 34 - 5 - HG3 ARG 26 - HE2 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 57 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 37 - 3 - HB2 LEU 62 - HE3 LYS 75 lone 1 63 - 2 - HB2 LEU 62 - HE2 LYS 75 lone 1 62 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 34 - 3 - HB2 LEU 62 - HE3 LYS 13 lone 1 54 - 2 - HB2 LEU 62 - HE2 LYS 13 lone 1 53 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 49 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 48 - 2 - HG3 ARG 71 - HE2 LYS 39 lone 1 50 - 1 - HG3 ARG 71 - HE3 LYS 13 lone 1 66 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 1 65 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 1 46 - 1 - HB3 ARG 17 - HE3 LYS 75 lone 1 55 - 1 - HB3 ARG 17 - HE2 LYS 75 lone 1 54 - 1 - HB3 ARG 17 - HE2 LYS 39 lone 1 35 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 68 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 68 - 1 - HB3 ARG 17 - HE3 LYS 39 lone 0 32 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 59 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 58 - 1 - HB3 ARG 17 - HE3 LYS 13 lone 0 47 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 45 - 1 - HB3 ARG 17 - HE2 LYS 13 lone 0 46 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 41 - 1 - Peak 1627 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 11 out of 200 assignments used, quality = 1.00: HB2 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) * HB3 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB2 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 73 + HE3 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(16) HB3 LYS 73 + HE2 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(15) HB3 LYS 75 + HE3 LYS 75 OK 58 91 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 75 + HE2 LYS 75 OK 57 90 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 48 69 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB2 LYS 13 + HE3 LYS 13 OK 47 78 - 60 - 5.2=32, 1005/2.9=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 46 76 - 60 - 5.2=32, 1005/2.9=3...(25) HB3 LYS 39 - HE3 LYS 39 OK 44 64 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB3 LYS 39 - HE3 LYS 75 OK 41 96 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 40 96 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 73 - HE3 LYS 75 OK 34 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB3 LYS 73 - HE2 LYS 75 OK 34 98 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB2 LYS 13 - HE3 LYS 75 OK 30 88 - 34 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 30 87 - 34 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 27 81 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 1597/3.9=1, 1586/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 1596/3.9=1, 1587/3.9=1 HB3 LYS 75 - HE2 LYS 13 OK 26 80 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 75 - HE3 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 75 - HE2 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 13 OK 23 87 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 13 OK 23 86 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 73 - HE3 LYS 13 OK 21 90 - 23 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 20 89 - 23 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 19 63 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 39 - HE2 LYS 32 OK 19 98 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 18 98 - 19 - HB3 LYS 75 - HE3 LYS 39 OK 18 59 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HG2 PRO 34 - HE2 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HG2 PRO 34 - HE3 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HB2 PRO 34 - HE2 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 PRO 34 - HE3 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 ARG 54 - HE2 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE2 LYS 39 OK 13 70 - 19 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 75 - HE2 LYS 32 OK 13 93 - 13 - HB3 LYS 75 - HE3 LYS 32 OK 13 93 - 13 - HB2 ARG 54 - HE3 LYS 39 OK 12 65 - 19 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 32 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 12 73 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 11 68 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 11 68 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - HB2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - HB2 LYS 85 - HE3 LYS 75 OK 11 58 - 19 - ~3447=1 HB2 LEU 57 - HE3 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LYS 85 - HE2 LYS 75 OK 11 57 - 19 - ~3447=1 HB3 LYS 73 - HE3 LYS 39 OK 11 67 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LEU 57 - HE2 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LEU 57 - HE3 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB3 LYS 32 - HE3 LYS 13 lone 9 91 - 10 - HB2 LYS 32 - HE3 LYS 13 lone 9 91 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 90 - 10 - HB2 LYS 32 - HE2 LYS 13 lone 9 90 - 10 - HB ILE 33 - HE2 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1586/3.9=1 HB ILE 33 - HE3 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB2 LYS 13 - HE2 LYS 39 poor 8 60 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE3 LYS 73 poor 8 60 - 13 - HB2 LYS 85 - HE2 LYS 73 poor 8 60 - 13 - HG3 ARG 71 - HE2 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HG3 ARG 71 - HE3 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HB2 LYS 85 - HE3 LYS 13 poor 7 49 - 15 - 1021/3.8=2 HB2 LEU 57 - HE3 LYS 13 lone 7 89 - 8 - 3.1/4604=1, 2438/3.8=1 HB2 LYS 85 - HE2 LYS 13 poor 7 48 - 15 - 1021/3.8=2 HB2 PRO 34 - HE2 LYS 39 poor 7 71 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE2 LYS 13 lone 7 87 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 LYS 13 - HE3 LYS 39 poor 7 56 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 69 - HE3 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HG2 PRO 34 - HE2 LYS 39 poor 7 63 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 PRO 34 - HE3 LYS 39 poor 7 66 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 ARG 69 - HE2 LYS 75 poor 7 57 - 12 - 2795/3.5=1, 2795/3.5=1 HB ILE 33 - HE3 LYS 13 lone 6 90 - 7 - 1655/3.8=2, 1655/3.8=1 HB2 LYS 13 - HE2 LYS 32 lone 6 90 - 7 - HB ILE 33 - HE2 LYS 13 lone 6 89 - 7 - 1655/3.8=2, 1655/3.8=1 HB2 LYS 13 - HE3 LYS 32 lone 6 90 - 7 - HB2 LEU 57 - HE3 LYS 75 lone 6 97 - 6 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 75 lone 6 97 - 6 - HG2 PRO 34 - HE3 LYS 39 poor 6 59 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 LYS 83 - HE3 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 96 - 6 - HG2 PRO 34 - HE3 LYS 73 lone 6 93 - 6 - HG2 PRO 34 - HE2 LYS 73 lone 6 93 - 6 - HB2 PRO 34 - HE3 LYS 73 lone 6 99 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 6 99 - 5 - HG3 ARG 71 - HE2 LYS 73 lone 5 78 - 6 - HG3 ARG 71 - HE3 LYS 73 lone 5 78 - 6 - HB2 LEU 57 - HE2 LYS 39 lone 5 71 - 7 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 99 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 4 99 - 4 - HB2 LEU 57 - HE3 LYS 39 lone 4 66 - 7 - 4982/3.6=1 HB3 ARG 84 - HE2 LYS 73 lone 4 60 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 4 60 - 7 - HB2 LYS 83 - HE3 LYS 73 lone 4 99 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 4 99 - 4 - HB2 ARG 69 - HE3 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 54 - HE3 LYS 75 lone 4 97 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 4 96 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 91 - 4 - HB3 ARG 82 - HE3 LYS 73 lone 3 99 - 3 - HB3 ARG 82 - HE2 LYS 73 lone 3 99 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 90 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 98 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 97 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 88 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 87 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 70 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 70 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 3 60 - 4 - HB2 LEU 62 - HE2 LYS 39 lone 3 41 - 6 - HB2 LYS 85 - HE3 LYS 32 lone 3 60 - 4 - HB3 ARG 82 - HE2 LYS 32 lone 2 99 - 2 - HB2 ARG 69 - HE3 LYS 13 lone 3 49 - 5 - HB3 ARG 82 - HE3 LYS 32 lone 2 99 - 2 - HB2 PRO 34 - HE3 LYS 13 lone 2 89 - 3 - HB2 ARG 69 - HE2 LYS 13 lone 2 48 - 5 - HB2 PRO 34 - HE2 LYS 13 lone 2 88 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 100 - 2 - HB2 LEU 62 - HE2 LYS 32 lone 2 65 - 4 - HB2 LEU 62 - HE3 LYS 32 lone 2 65 - 4 - HB3 ARG 82 - HE3 LYS 39 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 75 lone 2 98 - 2 - HB2 LEU 62 - HE3 LYS 39 lone 2 37 - 6 - HB ILE 33 - HE2 LYS 75 lone 2 98 - 2 - HB3 ARG 84 - HE2 LYS 32 lone 2 60 - 4 - HB3 ARG 84 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HE2 LYS 32 lone 2 71 - 3 - HG3 ARG 26 - HE3 LYS 32 lone 2 71 - 3 - HB2 LEU 62 - HE3 LYS 73 lone 2 65 - 3 - HB2 LEU 62 - HE2 LYS 73 lone 2 65 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 2 60 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 71 - HE3 LYS 75 lone 2 76 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 72 - 3 - HG3 ARG 71 - HE2 LYS 75 lone 2 75 - 3 - HG2 PRO 34 - HE3 LYS 13 lone 2 81 - 2 - HB2 LYS 85 - HE2 LYS 39 lone 2 37 - 5 - HG2 PRO 34 - HE2 LYS 13 lone 2 80 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 67 - 3 - HB2 LYS 85 - HE3 LYS 39 lone 2 34 - 5 - HB2 ARG 54 - HE3 LYS 13 lone 2 88 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 99 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 99 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 2 87 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 2 97 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 2 96 - 2 - HB2 ARG 69 - HE2 LYS 39 lone 2 37 - 5 - HB3 ARG 17 - HE2 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE2 LYS 32 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 32 lone 2 57 - 3 - HB3 ARG 82 - HE3 LYS 13 lone 2 88 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 2 87 - 2 - HB2 ARG 69 - HE3 LYS 39 lone 2 34 - 5 - HG3 ARG 26 - HE2 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 57 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 37 - 3 - HB2 LEU 62 - HE3 LYS 75 lone 1 63 - 2 - HB2 LEU 62 - HE2 LYS 75 lone 1 62 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 34 - 3 - HB2 LEU 62 - HE3 LYS 13 lone 1 54 - 2 - HB2 LEU 62 - HE2 LYS 13 lone 1 53 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 49 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 48 - 2 - HG3 ARG 71 - HE2 LYS 39 lone 1 50 - 1 - HG3 ARG 71 - HE3 LYS 13 lone 1 66 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 1 65 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 1 46 - 1 - HB3 ARG 17 - HE3 LYS 75 lone 1 55 - 1 - HB3 ARG 17 - HE2 LYS 75 lone 1 54 - 1 - HB3 ARG 17 - HE2 LYS 39 lone 1 35 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 68 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 68 - 1 - HB3 ARG 17 - HE3 LYS 39 lone 0 32 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 59 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 58 - 1 - HB3 ARG 17 - HE3 LYS 13 lone 0 47 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 45 - 1 - HB3 ARG 17 - HE2 LYS 13 lone 0 46 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 41 - 1 - Peak 1628 from cnoeabs.peaks (1.28, 2.95, 41.78 ppm; 3.66 A): 2 out of 30 assignments used, quality = 0.99: * HG2 LYS 32 + HE2 LYS 32 OK 92 100 - 92 - 3.9=84, 1558/6.4=7...(26) HG2 LYS 32 + HE3 LYS 32 OK 92 100 - 92 - 3.9=84, 1558/6.4=7...(26) HG2 LYS 32 - HE3 LYS 73 OK 39 100 - 40 - 1592=4, 1.8/1602=4...(13) HG2 LYS 32 - HE2 LYS 73 OK 39 100 - 40 - 1592=4, 1.8/1602=4...(13) HG2 LYS 32 - HE3 LYS 75 OK 16 99 - 16 - 1593=2, 1.8/1603=1...(5) HG2 LYS 32 - HE2 LYS 75 OK 16 99 - 16 - 1593=2, 1.8/1603=1...(5) HG2 ARG 54 - HE2 LYS 32 OK 14 76 - 19 - 1598/3.9=3, 1568/4.6=2...(8) HG2 ARG 54 - HE3 LYS 32 OK 14 76 - 19 - 1598/3.9=3, 1568/4.6=2...(8) HG2 LYS 32 - HE2 LYS 39 OK 11 73 - 15 - 1593=1, 1.8/1603=1 HG2 LYS 32 - HE3 LYS 39 OK 10 68 - 15 - 1593=1, 1593/1.8=1, 1.8/1603=1 HG2 LYS 32 - HE3 LYS 13 lone 9 91 - 9 - HG2 LYS 32 - HE2 LYS 13 lone 9 90 - 9 - HG2 ARG 54 - HE2 LYS 39 poor 7 48 - 15 - 2326/3.6=3, 2328/3.0=1...(4) HG2 ARG 54 - HE3 LYS 39 poor 6 44 - 15 - 2326/3.6=3, 2328/3.0=1...(4) HG2 ARG 54 - HE3 LYS 73 lone 3 76 - 4 - HG2 ARG 54 - HE2 LYS 73 lone 3 76 - 4 - QG2 THR 58 - HE2 LYS 32 lone 2 60 - 4 - QG2 THR 58 - HE3 LYS 32 lone 2 60 - 4 - HG2 ARG 54 - HE3 LYS 75 lone 2 73 - 3 - HG2 ARG 54 - HE2 LYS 75 lone 2 72 - 3 - HG2 ARG 54 - HE3 LYS 13 lone 1 64 - 2 - HG2 ARG 54 - HE2 LYS 13 lone 1 62 - 1 - QG2 THR 58 - HE3 LYS 73 lone 0 60 - 1 - QG2 THR 58 - HE2 LYS 73 lone 0 60 - 1 - QG2 THR 58 - HE3 LYS 75 lone 0 58 - 1 - QG2 THR 58 - HE2 LYS 75 lone 0 57 - 1 - QG2 THR 58 - HE3 LYS 13 lone 0 49 - 1 - QG2 THR 58 - HE2 LYS 13 lone 0 48 - 1 - QG2 THR 58 - HE2 LYS 39 lone 0 37 - 1 - QG2 THR 58 - HE3 LYS 39 lone 0 34 - 1 - Peak 1629 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.43 A): 2 out of 70 assignments used, quality = 0.97: * HG3 LYS 32 + HE2 LYS 32 OK 83 100 - 83 - 3.9=69, 1.8/1628=8...(20) HG3 LYS 32 + HE3 LYS 32 OK 83 100 - 83 - 3.9=69, 1.8/1628=8...(20) HG3 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 1602=3, 1.8/1628=3...(13) HG3 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 1602=3, 1.8/1628=3...(13) HB2 LEU 51 - HE2 LYS 39 OK 17 71 - 24 - ~6088=3, ~4948=3...(8) QB ALA 28 - HE2 LYS 32 OK 16 97 - 17 - 1589/3.9=3, 4180/4.6=2...(7) QB ALA 28 - HE3 LYS 32 OK 16 97 - 17 - 1589/3.9=3, 4180/4.6=2...(7) HB2 LEU 51 - HE3 LYS 39 OK 16 66 - 24 - ~6088=3, ~4948=3...(8) HB2 LEU 51 - HE2 LYS 32 OK 15 99 - 15 - 1589/3.9=2, 2219/3.0=1 HB2 LEU 51 - HE3 LYS 32 OK 15 99 - 15 - 1589/3.9=2, 2219/3.0=1 HG3 LYS 32 - HE3 LYS 75 OK 14 99 - 14 - 1603=1, 1.8/1628=1, 1603/1.8=1 HG3 LYS 32 - HE2 LYS 75 OK 14 99 - 14 - 1603=1, 1.8/1628=1, 1603/1.8=1 HG2 ARG 54 - HE2 LYS 32 OK 10 78 - 13 - 1589/3.9=2, 2325/4.6=1...(4) HG2 ARG 54 - HE3 LYS 32 OK 10 78 - 13 - 1589/3.9=2, 2325/4.6=1...(4) HG3 LYS 32 - HE2 LYS 39 OK 10 73 - 14 - 1603=1 HG3 LYS 32 - HE3 LYS 39 poor 9 68 - 14 - HG3 LYS 32 - HE3 LYS 13 lone 8 91 - 9 - HG3 LYS 32 - HE2 LYS 13 lone 8 90 - 9 - HB2 LEU 52 - HE2 LYS 32 lone 8 99 - 8 - 1589/3.9=1 HB2 LEU 52 - HE3 LYS 32 lone 8 99 - 8 - 1589/3.9=1 HB2 LEU 51 - HE3 LYS 73 lone 7 99 - 7 - HB2 LEU 51 - HE2 LYS 73 lone 7 99 - 7 - HG2 ARG 54 - HE2 LYS 39 poor 7 50 - 13 - 2326/3.6=2, 2328/3.0=1...(4) HG2 ARG 54 - HE3 LYS 39 poor 6 46 - 13 - 2326/3.6=2, 2328/3.0=1...(4) HB2 LEU 51 - HE3 LYS 75 lone 6 97 - 6 - HB2 LEU 51 - HE2 LYS 75 lone 6 97 - 6 - HB2 LEU 52 - HE3 LYS 73 lone 4 99 - 4 - HB2 LEU 52 - HE2 LYS 73 lone 4 99 - 4 - QB ALA 28 - HE2 LYS 73 lone 3 97 - 3 - QB ALA 28 - HE3 LYS 73 lone 3 97 - 3 - QG2 THR 58 - HE2 LYS 32 lone 3 90 - 3 - QG2 THR 58 - HE3 LYS 32 lone 3 90 - 3 - HB2 LEU 51 - HE3 LYS 13 lone 3 89 - 3 - HB2 LEU 51 - HE2 LYS 13 lone 2 87 - 3 - HG2 ARG 54 - HE3 LYS 73 lone 2 78 - 3 - HG2 ARG 54 - HE2 LYS 73 lone 2 78 - 3 - HB2 LEU 52 - HE3 LYS 13 lone 2 89 - 2 - HB2 LEU 52 - HE2 LYS 13 lone 2 87 - 2 - QB ALA 28 - HE2 LYS 39 lone 2 68 - 3 - 5321/3.6=1 QB ALA 28 - HE3 LYS 39 lone 2 63 - 3 - 5321/3.6=1 HG2 ARG 54 - HE3 LYS 75 lone 2 76 - 2 - HG2 ARG 54 - HE2 LYS 75 lone 2 75 - 2 - HB2 LEU 52 - HE2 LYS 39 lone 1 71 - 2 - QB ALA 12 - HE2 LYS 32 lone 1 100 - 1 - QB ALA 12 - HE3 LYS 32 lone 1 100 - 1 - QB ALA 12 - HE3 LYS 13 lone 1 90 - 2 - QB ALA 12 - HE2 LYS 13 lone 1 89 - 2 - HB2 LEU 52 - HE3 LYS 39 lone 1 66 - 2 - HB2 LEU 52 - HE3 LYS 75 lone 1 97 - 1 - HB2 LEU 52 - HE2 LYS 75 lone 1 97 - 1 - QB ALA 28 - HE3 LYS 75 lone 1 95 - 1 - QB ALA 28 - HE2 LYS 75 lone 1 95 - 1 - QB ALA 28 - HE3 LYS 13 lone 1 86 - 1 - QB ALA 28 - HE2 LYS 13 lone 1 85 - 1 - HG2 ARG 54 - HE3 LYS 13 lone 1 66 - 1 - QB ALA 12 - HE3 LYS 75 lone 1 99 - 1 - QB ALA 12 - HE2 LYS 75 lone 1 98 - 1 - HG2 ARG 54 - HE2 LYS 13 lone 1 65 - 1 - QB ALA 12 - HE2 LYS 73 lone 1 100 - 1 - QB ALA 12 - HE3 LYS 73 lone 1 100 - 1 - QG2 THR 58 - HE3 LYS 73 lone 1 90 - 1 - QG2 THR 58 - HE2 LYS 73 lone 1 90 - 1 - QB ALA 12 - HE2 LYS 39 lone 1 73 - 1 - QB ALA 12 - HE3 LYS 39 lone 1 67 - 1 - QG2 THR 58 - HE3 LYS 75 lone 1 88 - 1 - QG2 THR 58 - HE2 LYS 75 lone 1 87 - 1 - QG2 THR 58 - HE3 LYS 13 lone 1 78 - 1 - QG2 THR 58 - HE2 LYS 13 lone 1 76 - 1 - QG2 THR 58 - HE2 LYS 39 lone 0 60 - 1 - QG2 THR 58 - HE3 LYS 39 lone 0 56 - 1 - Peak 1630 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: * HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 31 41 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 27 36 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 10 63 - 15 - HD2 LYS 39 - HE2 LYS 75 poor 9 62 - 15 - HD3 LYS 39 - HE3 LYS 75 poor 9 60 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 60 - 16 - HB3 LEU 51 - HE2 LYS 39 poor 9 67 - 14 - ~6088=2, ~4948=2...(6) HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD2 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD2 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 9 99 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 9 62 - 14 - ~6088=2, ~4948=2...(6) HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD2 LYS 39 - HE3 LYS 13 lone 5 54 - 9 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD2 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 53 - 9 - HD3 LYS 39 - HE3 LYS 13 lone 5 52 - 9 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD3 LYS 39 - HE2 LYS 13 lone 5 51 - 9 - HD3 LYS 32 - HE3 LYS 39 lone 4 68 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 32 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD2 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 6 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HD2 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HB2 LEU 86 - HE2 LYS 39 lone 3 73 - 4 - HB3 LEU 51 - HE3 LYS 73 lone 3 97 - 3 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HG LEU 86 - HE2 LYS 39 lone 3 66 - 5 - HB2 LEU 86 - HE3 LYS 39 lone 3 67 - 4 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 61 - 5 - HB3 LEU 51 - HE3 LYS 75 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 94 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 97 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 50 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 46 - 3 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 71 - HE3 LYS 75 lone 1 96 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 96 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 85 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 84 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 93 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 97 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 98 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 81 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 84 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 82 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 90 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 89 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 76 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 75 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 69 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 0 64 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 66 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 65 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 70 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 69 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 78 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 77 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 65 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE3 LYS 39 lone 0 64 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 75 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 86 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 91 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 90 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 94 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 94 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 88 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 73 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 87 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 86 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 68 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 85 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 84 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 68 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 67 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 66 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 65 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 52 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 67 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 50 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 62 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 48 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 46 - 0 - Peak 1631 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 180 assignments used, quality = 1.00: * HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 26 34 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD2 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD2 LYS 39 - HE3 LYS 75 poor 9 58 - 15 - HD3 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD2 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HB3 LEU 51 - HE2 LYS 39 poor 9 65 - 13 - ~6088=2, ~4948=2...(6) HD2 LYS 39 - HE2 LYS 75 poor 9 57 - 15 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 8 99 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 8 60 - 13 - ~6088=2, ~4948=2...(6) HB3 LEU 51 - HE2 LYS 32 lone 6 95 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 6 94 - 7 - 2225/3.9=1 HD3 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD2 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HG2 ARG 71 - HE2 LYS 32 lone 5 99 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 99 - 5 - HD2 LYS 39 - HE3 LYS 73 lone 5 60 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 60 - 8 - HD3 LYS 32 - HE3 LYS 39 lone 4 68 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD3 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 32 - HE3 LYS 39 lone 4 68 - 6 - HD2 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD2 LYS 39 - HE3 LYS 13 lone 4 49 - 9 - HD2 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 13 lone 4 48 - 9 - HD3 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HD2 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HD2 LYS 39 - HE2 LYS 32 lone 4 60 - 6 - HD2 LYS 39 - HE3 LYS 32 lone 4 60 - 6 - HB2 LEU 86 - HE2 LYS 39 lone 3 73 - 4 - HB3 LEU 51 - HE3 LYS 73 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 73 lone 3 95 - 3 - HB2 LEU 86 - HE3 LYS 39 lone 3 68 - 4 - HG2 ARG 71 - HE3 LYS 73 lone 3 99 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 99 - 3 - HG LEU 86 - HE2 LYS 39 lone 3 63 - 5 - HB3 LEU 51 - HE3 LYS 75 lone 3 92 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 91 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 59 - 5 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE3 LYS 73 lone 2 85 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 85 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 85 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 85 - 3 - HG3 ARG 84 - HE2 LYS 32 lone 2 85 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 85 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 85 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 85 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 93 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 93 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 46 - 3 - HG2 ARG 71 - HE3 LYS 75 lone 1 97 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 97 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 43 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 1 82 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 81 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 93 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 93 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 73 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 73 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 73 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 73 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 90 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 91 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 98 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 98 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 85 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 85 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 99 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 83 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 83 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 91 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 90 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 81 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 80 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 56 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 56 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 51 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 51 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 82 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 82 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 81 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 81 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 71 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 98 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 97 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG3 ARG 17 - HE2 LYS 75 lone 0 97 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 1 66 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 0 71 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 0 70 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 71 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 71 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 85 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 85 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 82 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 81 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 66 - 1 - HG3 ARG 27 - HE3 LYS 75 lone 0 80 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 83 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 83 - 1 - HG3 ARG 17 - HE3 LYS 39 lone 0 66 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 79 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 61 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 89 - 0 - HB3 LEU 62 - HE2 LYS 13 lone 0 60 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 91 - 0 - HG3 ARG 84 - HE3 LYS 13 lone 0 72 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 72 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 96 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 90 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 71 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 71 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 89 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 89 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 88 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 73 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 68 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 72 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 87 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 71 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 86 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 70 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 69 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 56 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 54 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 69 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 51 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 64 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 50 - 0 - Peak 1632 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: * HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 97 97 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 13 + HE3 LYS 13 OK 82 82 - 100 HE2 LYS 13 + HE2 LYS 13 OK 80 80 - 100 HE2 LYS 39 + HE2 LYS 39 OK 46 46 - 100 HE3 LYS 39 - HE3 LYS 39 OK 39 39 - 100 Peak 1633 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 98 98 - 100 HE2 LYS 75 + HE2 LYS 75 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 84 84 - 100 HE2 LYS 13 + HE2 LYS 13 OK 81 81 - 100 HE2 LYS 39 + HE2 LYS 39 OK 48 48 - 100 HE3 LYS 39 - HE3 LYS 39 OK 41 41 - 100 Reference assignment not found: HE3 LYS 32 - HE2 LYS 32 Peak 1635 from cnoeabs.peaks (3.98, 2.95, 41.78 ppm; 4.80 A): 2 out of 100 assignments used, quality = 0.97: HA LYS 32 + HE2 LYS 32 OK 82 100 - 82 - 6.4=42, 1558/3.9=28...(28) * HA LYS 32 + HE3 LYS 32 OK 82 100 - 82 - 6.4=42, 1558/3.9=28...(28) HA LYS 32 - HE3 LYS 73 OK 35 100 - 36 - 3.9/1602=4, 3.9/1592=4...(11) HA LYS 32 - HE2 LYS 73 OK 35 100 - 36 - 3.9/1602=4, 3.9/1592=4...(11) HA VAL 76 - HE3 LYS 75 OK 27 97 - 28 - 5856/6.4=6, 5853/5.0=4...(8) HA VAL 76 - HE2 LYS 75 OK 27 96 - 28 - 5856/6.4=6, 5853/5.0=4...(8) HA ALA 28 - HE3 LYS 32 OK 26 85 - 31 - 1595/3.9=6, 1585/3.9=5...(14) HA ALA 28 - HE2 LYS 32 OK 26 85 - 31 - 1595/3.9=6, 1585/3.9=5...(14) HA VAL 76 - HE2 LYS 73 OK 19 98 - 19 - 5853/4.7=5, 320/7.3=3...(5) HA VAL 76 - HE3 LYS 73 OK 19 98 - 19 - 5853/4.7=5, 320/7.3=3...(5) HA2 GLY 72 - HE2 LYS 73 OK 18 93 - 20 - 5844/4.7=6, 3961/7.3=5...(7) HA2 GLY 72 - HE3 LYS 73 OK 18 93 - 20 - 5844/4.7=6, 3961/7.3=5...(7) HA GLN 61 - HE3 LYS 75 OK 17 94 - 18 - 2527/2.9=3, 2527/2.9=3...(6) HA GLN 61 - HE2 LYS 75 OK 17 93 - 18 - 2527/2.9=3, 2527/2.9=3...(6) HA ARG 70 - HE2 LYS 73 OK 15 71 - 21 - 5987/7.3=4, 5983/3.7=3...(7) HA ARG 70 - HE3 LYS 73 OK 15 71 - 21 - 5987/7.3=4, 5983/3.7=3...(7) HA ARG 70 - HE3 LYS 32 OK 14 71 - 19 - 1585/3.9=3, 1595/3.9=3...(8) HA ARG 70 - HE2 LYS 32 OK 14 71 - 19 - 1585/3.9=3, 1595/3.9=3...(8) HA GLN 61 - HE2 LYS 32 OK 13 96 - 13 - 1595/3.9=3, 1585/3.9=3...(5) HA GLN 61 - HE3 LYS 32 OK 13 96 - 13 - 1595/3.9=3, 1585/3.9=3...(5) HA LYS 32 - HE3 LYS 75 OK 13 99 - 13 - 3.9/1593=2, 3.9/1603=2 HA LYS 32 - HE2 LYS 75 OK 13 99 - 13 - 3.9/1593=2, 3.9/1603=2 HA VAL 76 - HE3 LYS 32 OK 12 98 - 12 - 1585/3.9=2, 1595/3.9=2 HA VAL 76 - HE2 LYS 32 OK 12 98 - 12 - 1585/3.9=2, 1595/3.9=2 HA ARG 66 - HE2 LYS 32 OK 11 100 - 11 - 3924/7.0=2, 1585/3.9=2 HA ARG 66 - HE3 LYS 32 OK 11 100 - 11 - 3924/7.0=2, 1585/3.9=2 HA ARG 70 - HE3 LYS 75 OK 11 69 - 16 - 5983/3.5=3, 5983/3.5=3...(7) HA GLN 61 - HE3 LYS 13 OK 11 85 - 13 - 2527/2.9=3, 2527/2.9=3...(4) HA ARG 70 - HE2 LYS 75 OK 11 68 - 16 - 5983/3.5=3, 5983/3.5=3...(7) HA GLN 61 - HE2 LYS 13 OK 11 84 - 13 - 2527/2.9=3, 2527/2.9=3...(4) HA2 GLY 72 - HE3 LYS 75 OK 10 92 - 11 - 6034/6.7=4, 5844/5.0=3, ~5839=1 HA2 GLY 72 - HE2 LYS 75 OK 10 91 - 11 - 6034/6.7=4, 5844/5.0=3, ~5839=1 HA LYS 32 - HE3 LYS 13 OK 10 93 - 11 - 5543/3.8=2, 5543/3.8=1 HA LYS 32 - HE2 LYS 39 poor 10 76 - 13 - 3.9/1603=1, 3.9/1593=1 HA LYS 32 - HE2 LYS 13 poor 10 91 - 11 - 5543/3.8=2, 5543/3.8=1 HA LYS 32 - HE3 LYS 39 poor 9 71 - 13 - 3.9/1603=1, 3.9/1593=1 HA2 GLY 72 - HE3 LYS 32 lone 9 93 - 9 - 1585/3.9=1, 1595/3.9=1, ~5840=1 HA2 GLY 72 - HE2 LYS 32 lone 9 93 - 9 - 1585/3.9=1, 1595/3.9=1, ~5840=1 HA ALA 28 - HE2 LYS 73 lone 7 85 - 9 - 4175/3.7=1 HA ALA 28 - HE3 LYS 73 lone 7 85 - 9 - 4175/3.7=1 HA GLU 50 - HE3 LYS 32 lone 7 95 - 8 - 1595/3.9=1, ~5670=1, 1585/3.9=1 HA GLU 50 - HE2 LYS 32 lone 7 94 - 8 - 1595/3.9=1, ~5670=1, 1585/3.9=1 HA ARG 66 - HE3 LYS 75 lone 7 99 - 7 - 4733/3.5=2, 4733/3.5=2 HA ARG 66 - HE2 LYS 75 lone 7 99 - 7 - 4733/3.5=2, 4733/3.5=2 HA GLU 50 - HE3 LYS 75 lone 7 93 - 7 - 4502/3.5=1, 4502/3.5=1 HA GLU 50 - HE2 LYS 75 lone 7 92 - 7 - 4502/3.5=1, 4502/3.5=1 HA ARG 66 - HE3 LYS 73 lone 6 100 - 6 - 4733/3.7=2 HA ARG 66 - HE2 LYS 73 lone 6 100 - 6 - 4733/3.7=2 HA VAL 76 - HE2 LYS 39 lone 6 72 - 8 - 4.7/3075=2, 5853/4.7=1 HA GLN 61 - HE2 LYS 73 lone 6 96 - 6 - HA GLN 61 - HE3 LYS 73 lone 6 95 - 6 - HA VAL 76 - HE3 LYS 39 lone 5 67 - 8 - 4.7/3075=2, 5853/4.7=1 HA GLU 50 - HE2 LYS 73 lone 5 94 - 5 - HA GLU 50 - HE3 LYS 73 lone 5 94 - 5 - HA VAL 76 - HE3 LYS 13 lone 4 88 - 4 - 4.7/3075=2 HA ALA 28 - HE3 LYS 75 lone 4 83 - 5 - HA VAL 76 - HE2 LYS 13 lone 4 87 - 4 - 4.7/3075=2 HA ALA 28 - HE2 LYS 75 lone 4 82 - 5 - HA GLU 50 - HE2 LYS 39 lone 4 67 - 6 - ~5670=1 HA2 GLY 21 - HE3 LYS 32 lone 4 71 - 5 - HA2 GLY 21 - HE2 LYS 32 lone 4 71 - 5 - HA3 GLY 21 - HE3 LYS 32 lone 4 68 - 5 - HA3 GLY 21 - HE2 LYS 32 lone 4 68 - 5 - HA GLU 50 - HE3 LYS 39 lone 4 62 - 6 - ~5670=1 HA ARG 66 - HE2 LYS 39 lone 3 76 - 4 - 4733/3.6=1 HA2 GLY 21 - HE3 LYS 75 lone 3 69 - 5 - HA2 GLY 21 - HE2 LYS 75 lone 3 68 - 5 - HA ARG 66 - HE3 LYS 39 lone 3 71 - 4 - 4733/3.6=1 HA3 GLY 21 - HE3 LYS 75 lone 3 66 - 5 - HA3 GLY 21 - HE2 LYS 75 lone 3 66 - 5 - HA GLN 61 - HE2 LYS 39 lone 3 68 - 4 - HA ALA 28 - HE2 LYS 39 lone 3 58 - 5 - HA ARG 66 - HE3 LYS 13 lone 3 93 - 3 - HA ARG 66 - HE2 LYS 13 lone 3 91 - 3 - HA GLN 61 - HE3 LYS 39 lone 3 63 - 4 - HA ALA 28 - HE3 LYS 39 lone 3 53 - 5 - HA ALA 28 - HE3 LYS 13 lone 3 74 - 3 - HA2 GLY 21 - HE2 LYS 73 lone 3 71 - 4 - HA2 GLY 21 - HE3 LYS 73 lone 3 71 - 4 - HA ALA 28 - HE2 LYS 13 lone 2 72 - 3 - HA3 GLY 21 - HE2 LYS 73 lone 2 68 - 4 - HA3 GLY 21 - HE3 LYS 73 lone 2 68 - 4 - HA GLU 50 - HE3 LYS 13 lone 2 84 - 3 - HA2 GLY 72 - HE2 LYS 39 lone 2 66 - 3 - HA GLU 50 - HE2 LYS 13 lone 2 82 - 3 - HA2 GLY 72 - HE3 LYS 39 lone 2 61 - 3 - HA ARG 70 - HE2 LYS 39 lone 2 46 - 4 - HA2 GLY 72 - HE3 LYS 13 lone 2 82 - 2 - HA2 GLY 72 - HE2 LYS 13 lone 2 81 - 2 - HA ARG 70 - HE3 LYS 39 lone 2 43 - 4 - HA ARG 70 - HE3 LYS 13 lone 1 60 - 2 - HA ARG 70 - HE2 LYS 13 lone 1 59 - 2 - HA2 GLY 21 - HE2 LYS 39 lone 1 46 - 3 - HA3 GLY 21 - HE2 LYS 39 lone 1 44 - 3 - HA2 GLY 21 - HE3 LYS 39 lone 1 43 - 3 - HA3 GLY 21 - HE3 LYS 39 lone 1 41 - 3 - HA2 GLY 21 - HE3 LYS 13 lone 1 60 - 2 - HA2 GLY 21 - HE2 LYS 13 lone 1 59 - 2 - HA3 GLY 21 - HE3 LYS 13 lone 1 58 - 2 - HA3 GLY 21 - HE2 LYS 13 lone 1 57 - 2 - Peak 1636 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 200 assignments used, quality = 1.00: * HB2 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB2 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 73 + HE3 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(16) HB3 LYS 73 + HE2 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(15) HB3 LYS 75 + HE3 LYS 75 OK 58 92 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 75 + HE2 LYS 75 OK 58 91 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 49 72 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB2 LYS 13 + HE3 LYS 13 OK 47 79 - 60 - 5.2=32, 3.0/1073=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 47 78 - 60 - 5.2=32, 3.0/1073=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 46 67 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB3 LYS 39 - HE3 LYS 75 OK 41 97 - 43 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 41 96 - 43 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 73 - HE3 LYS 75 OK 35 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB3 LYS 73 - HE2 LYS 75 OK 34 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB2 LYS 13 - HE3 LYS 75 OK 30 89 - 34 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 30 88 - 34 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 27 82 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 13 OK 27 81 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 1596/3.9=1, 1587/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 1597/3.9=1, 1586/3.9=1 HB3 LYS 75 - HE3 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 13 OK 23 88 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 75 - HE2 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE2 LYS 13 OK 23 87 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 73 OK 23 98 - 23 - HB3 LYS 73 - HE3 LYS 13 OK 21 92 - 23 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 21 90 - 23 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 20 66 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 75 - HE3 LYS 39 OK 19 61 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 39 - HE2 LYS 32 OK 19 98 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 19 98 - 19 - HG2 PRO 34 - HE2 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HG2 PRO 34 - HE3 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HB2 PRO 34 - HE2 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 PRO 34 - HE3 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 ARG 54 - HE2 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE2 LYS 39 OK 14 72 - 20 - 2310/3.6=3, 2312/3.0=2...(6) HB2 ARG 54 - HE3 LYS 39 OK 13 68 - 20 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 75 - HE2 LYS 32 OK 13 93 - 13 - HB3 LYS 75 - HE3 LYS 32 OK 13 93 - 13 - HB2 LYS 32 - HE2 LYS 39 OK 13 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 13 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 12 75 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 71 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 71 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 85 - HE3 LYS 75 OK 11 58 - 19 - ~3447=1 HB3 LYS 73 - HE3 LYS 39 OK 11 70 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - HB2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - HB2 LYS 85 - HE2 LYS 75 OK 11 58 - 19 - ~3447=1 HB2 LEU 57 - HE3 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LEU 57 - HE3 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LYS 32 - HE3 LYS 13 lone 9 93 - 10 - HB3 LYS 32 - HE3 LYS 13 lone 9 93 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 91 - 10 - HB2 LYS 32 - HE2 LYS 13 lone 9 91 - 10 - HB2 LYS 13 - HE2 LYS 39 poor 8 63 - 13 - 1875/3.6=1, 1865/3.6=1 HB ILE 33 - HE2 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB ILE 33 - HE3 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB2 LYS 85 - HE3 LYS 13 poor 8 50 - 15 - 1021/3.8=2 HB2 LYS 85 - HE2 LYS 73 poor 8 60 - 13 - HB2 LYS 85 - HE3 LYS 73 poor 8 60 - 13 - HB2 PRO 34 - HE2 LYS 39 poor 7 74 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HG3 ARG 71 - HE3 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HG3 ARG 71 - HE2 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HB2 LYS 13 - HE3 LYS 39 poor 7 58 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 13 poor 7 49 - 15 - 1021/3.8=2 HB2 LEU 57 - HE3 LYS 13 lone 7 90 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 13 lone 7 89 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 PRO 34 - HE3 LYS 39 poor 7 69 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HG2 PRO 34 - HE2 LYS 39 poor 7 66 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 ARG 69 - HE3 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HB2 ARG 69 - HE2 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HB ILE 33 - HE3 LYS 13 lone 7 91 - 7 - 1655/3.8=2, 1655/3.8=1 HB ILE 33 - HE2 LYS 13 lone 6 90 - 7 - 1655/3.8=2, 1655/3.8=1 HG2 PRO 34 - HE3 LYS 39 poor 6 61 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 LYS 13 - HE2 LYS 32 lone 6 90 - 7 - HB2 LYS 13 - HE3 LYS 32 lone 6 90 - 7 - HB2 LEU 57 - HE3 LYS 75 lone 6 98 - 6 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE3 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 97 - 6 - HG2 PRO 34 - HE3 LYS 73 lone 6 93 - 6 - HG2 PRO 34 - HE2 LYS 73 lone 6 93 - 6 - HB2 PRO 34 - HE3 LYS 73 lone 6 99 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 6 99 - 5 - HB2 LEU 57 - HE2 LYS 39 lone 5 73 - 7 - 4982/3.6=1 HG3 ARG 71 - HE2 LYS 73 lone 5 78 - 6 - HG3 ARG 71 - HE3 LYS 73 lone 5 78 - 6 - HB2 LEU 57 - HE3 LYS 39 lone 5 68 - 7 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 99 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 4 99 - 4 - HB3 ARG 84 - HE2 LYS 73 lone 4 60 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 4 60 - 7 - HB2 LYS 83 - HE2 LYS 73 lone 4 99 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 4 99 - 4 - HB2 ARG 69 - HE2 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 69 - HE3 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 54 - HE3 LYS 75 lone 4 97 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 4 97 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 92 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 3 99 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 3 99 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 91 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 98 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 98 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 89 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 88 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 72 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 72 - 4 - HB2 LEU 62 - HE2 LYS 39 lone 3 42 - 6 - HB2 LYS 85 - HE2 LYS 32 lone 3 60 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 3 60 - 4 - HB2 ARG 69 - HE3 LYS 13 lone 3 50 - 5 - HB2 PRO 34 - HE3 LYS 13 lone 3 91 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 3 68 - 4 - HB3 ARG 82 - HE2 LYS 32 lone 2 99 - 2 - HB2 ARG 69 - HE2 LYS 13 lone 3 49 - 5 - HB3 ARG 82 - HE3 LYS 32 lone 2 99 - 2 - HB3 ARG 82 - HE3 LYS 39 lone 2 68 - 4 - HB2 PRO 34 - HE2 LYS 13 lone 2 89 - 3 - HB2 LEU 62 - HE3 LYS 39 lone 3 39 - 6 - HB ILE 33 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 100 - 2 - HB2 LEU 62 - HE2 LYS 32 lone 2 65 - 4 - HB2 LEU 62 - HE3 LYS 32 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 75 lone 2 99 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 98 - 2 - HB3 ARG 84 - HE3 LYS 32 lone 2 60 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HE3 LYS 32 lone 2 71 - 3 - HG3 ARG 26 - HE2 LYS 32 lone 2 71 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 75 - 3 - HB2 LEU 62 - HE3 LYS 73 lone 2 65 - 3 - HB2 LEU 62 - HE2 LYS 73 lone 2 65 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 2 60 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 71 - HE3 LYS 75 lone 2 76 - 3 - HG3 ARG 71 - HE2 LYS 75 lone 2 76 - 3 - HB2 LYS 85 - HE2 LYS 39 lone 2 38 - 5 - HG2 PRO 34 - HE3 LYS 13 lone 2 82 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 70 - 3 - HG2 PRO 34 - HE2 LYS 13 lone 2 81 - 2 - HB2 LYS 85 - HE3 LYS 39 lone 2 35 - 5 - HB2 ARG 54 - HE3 LYS 13 lone 2 89 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 99 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 99 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 2 88 - 2 - HB2 ARG 69 - HE2 LYS 39 lone 2 38 - 5 - HB3 ARG 82 - HE3 LYS 75 lone 2 97 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 2 97 - 2 - HB2 ARG 69 - HE3 LYS 39 lone 2 35 - 5 - HB3 ARG 82 - HE3 LYS 13 lone 2 89 - 2 - HB3 ARG 17 - HE2 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 32 lone 2 57 - 3 - HB3 ARG 82 - HE2 LYS 13 lone 2 88 - 2 - HB3 ARG 17 - HE2 LYS 32 lone 2 57 - 3 - HG3 ARG 26 - HE2 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 38 - 3 - HB3 ARG 84 - HE3 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 35 - 3 - HB2 LEU 62 - HE3 LYS 75 lone 1 64 - 2 - HB2 LEU 62 - HE2 LYS 75 lone 1 63 - 2 - HB2 LEU 62 - HE3 LYS 13 lone 1 55 - 2 - HB2 LEU 62 - HE2 LYS 13 lone 1 54 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 50 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 49 - 2 - HG3 ARG 71 - HE2 LYS 39 lone 1 52 - 1 - HG3 ARG 71 - HE3 LYS 13 lone 1 67 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 1 66 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 1 48 - 1 - HB3 ARG 17 - HE2 LYS 39 lone 1 37 - 1 - HB3 ARG 17 - HE3 LYS 75 lone 1 56 - 1 - HB3 ARG 17 - HE2 LYS 75 lone 1 55 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 69 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 68 - 1 - HB3 ARG 17 - HE3 LYS 39 lone 1 34 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 60 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 59 - 1 - HB3 ARG 17 - HE3 LYS 13 lone 0 48 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 46 - 1 - HB3 ARG 17 - HE2 LYS 13 lone 0 47 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 43 - 1 - Peak 1637 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 3.56 A): 12 out of 200 assignments used, quality = 1.00: HB2 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) * HB3 LYS 32 + HE3 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB2 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 32 + HE2 LYS 32 OK 74 100 - 74 - 4.6=48, 2.9/1628=6...(21) HB3 LYS 73 + HE3 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(16) HB3 LYS 73 + HE2 LYS 73 OK 61 100 - 61 - 4.7=44, 2.9/3042=3...(15) HB3 LYS 75 + HE3 LYS 75 OK 58 92 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 75 + HE2 LYS 75 OK 58 91 - 63 - 5.0=37, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 49 72 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB2 LYS 13 + HE3 LYS 13 OK 47 79 - 60 - 5.2=32, 3.0/1073=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 47 78 - 60 - 5.2=32, 3.0/1073=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 46 67 - 69 - 4.7=44, ~1879=3, ~1869=3...(26) HB3 LYS 39 - HE3 LYS 75 OK 41 97 - 43 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 41 96 - 43 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE3 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB2 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 32 - HE2 LYS 73 OK 40 100 - 41 - 2.9/1602=3, 2.9/1628=3...(19) HB3 LYS 73 - HE3 LYS 75 OK 35 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB3 LYS 73 - HE2 LYS 75 OK 34 99 - 35 - 2.9/6146=2, 2.9/3042=1...(4) HB2 LYS 13 - HE3 LYS 75 OK 30 89 - 34 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 30 88 - 34 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 27 82 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 13 OK 27 81 - 33 - 1021/3.8=2, ~3073=1...(12) HB3 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 1596/3.9=1, 1587/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 1597/3.9=1, 1586/3.9=1 HB3 LYS 75 - HE3 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 13 OK 23 88 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 75 - HE2 LYS 73 OK 23 93 - 25 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE2 LYS 13 OK 23 87 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 23 98 - 23 - HB3 LYS 39 - HE2 LYS 73 OK 23 98 - 23 - HB3 LYS 73 - HE3 LYS 13 OK 21 92 - 23 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 21 90 - 23 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 20 66 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 75 - HE3 LYS 39 OK 19 61 - 31 - 1865/3.6=3, 1875/3.6=3...(10) HB3 LYS 39 - HE2 LYS 32 OK 19 98 - 19 - HB3 LYS 39 - HE3 LYS 32 OK 19 98 - 19 - HG2 PRO 34 - HE2 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HG2 PRO 34 - HE3 LYS 32 OK 16 93 - 17 - 4863/1.8=2, 4863=2...(6) HB2 PRO 34 - HE2 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 PRO 34 - HE3 LYS 32 OK 15 99 - 15 - 2.3/4863=2, 2.3/5567=2...(6) HB2 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 15 99 - 15 - 2.9/1603=1, 2.9/1593=1 HB2 ARG 54 - HE2 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 14 99 - 15 - 2311/3.9=2, 2311/3.9=2 HB2 ARG 54 - HE2 LYS 39 OK 14 72 - 20 - 2310/3.6=3, 2312/3.0=2...(6) HB2 ARG 54 - HE3 LYS 39 OK 13 68 - 20 - 2310/3.6=3, 2312/3.0=2...(6) HB3 LYS 75 - HE2 LYS 32 OK 13 93 - 13 - HB3 LYS 75 - HE3 LYS 32 OK 13 93 - 13 - HB2 LYS 32 - HE2 LYS 39 OK 13 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 13 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 12 75 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 71 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 71 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 85 - HE3 LYS 75 OK 11 58 - 19 - ~3447=1 HB3 LYS 73 - HE3 LYS 39 OK 11 70 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 13 - HE3 LYS 73 OK 11 90 - 12 - HB2 LYS 13 - HE2 LYS 73 OK 11 90 - 12 - HB2 LYS 85 - HE2 LYS 75 OK 11 58 - 19 - ~3447=1 HB2 LEU 57 - HE3 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 73 OK 11 99 - 11 - 3.8/5745=2, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LEU 57 - HE3 LYS 32 lone 10 99 - 10 - 3.1/4604=2, ~4604=1 HB2 LYS 32 - HE3 LYS 13 lone 9 93 - 10 - HB3 LYS 32 - HE3 LYS 13 lone 9 93 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 91 - 10 - HB2 LYS 32 - HE2 LYS 13 lone 9 91 - 10 - HB2 LYS 13 - HE2 LYS 39 poor 8 63 - 13 - 1875/3.6=1, 1865/3.6=1 HB ILE 33 - HE2 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB ILE 33 - HE3 LYS 32 lone 8 100 - 8 - 4219/3.9=2, 1587/3.9=1 HB2 LYS 85 - HE3 LYS 13 poor 8 50 - 15 - 1021/3.8=2 HB2 LYS 85 - HE2 LYS 73 poor 8 60 - 13 - HB2 LYS 85 - HE3 LYS 73 poor 8 60 - 13 - HB2 PRO 34 - HE2 LYS 39 poor 7 74 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HG3 ARG 71 - HE3 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HG3 ARG 71 - HE2 LYS 32 lone 7 78 - 9 - 2932/3.0=1, 2932/3.0=1 HB2 LYS 13 - HE3 LYS 39 poor 7 58 - 13 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 13 poor 7 49 - 15 - 1021/3.8=2 HB2 LEU 57 - HE3 LYS 13 lone 7 90 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 13 lone 7 89 - 8 - 2438/3.8=1, 3.1/4604=1 HB2 PRO 34 - HE3 LYS 39 poor 7 69 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HG2 PRO 34 - HE2 LYS 39 poor 7 66 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 ARG 69 - HE3 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HB2 ARG 69 - HE2 LYS 75 poor 7 58 - 12 - 2795/3.5=1, 2795/3.5=1 HB ILE 33 - HE3 LYS 13 lone 7 91 - 7 - 1655/3.8=2, 1655/3.8=1 HB ILE 33 - HE2 LYS 13 lone 6 90 - 7 - 1655/3.8=2, 1655/3.8=1 HG2 PRO 34 - HE3 LYS 39 poor 6 61 - 11 - 1723/4.7=1, ~5209=1...(4) HB2 LYS 13 - HE2 LYS 32 lone 6 90 - 7 - HB2 LYS 13 - HE3 LYS 32 lone 6 90 - 7 - HB2 LEU 57 - HE3 LYS 75 lone 6 98 - 6 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE3 LYS 75 lone 6 97 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 97 - 6 - HG2 PRO 34 - HE3 LYS 73 lone 6 93 - 6 - HG2 PRO 34 - HE2 LYS 73 lone 6 93 - 6 - HB2 PRO 34 - HE3 LYS 73 lone 6 99 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 6 99 - 5 - HB2 LEU 57 - HE2 LYS 39 lone 5 73 - 7 - 4982/3.6=1 HG3 ARG 71 - HE2 LYS 73 lone 5 78 - 6 - HG3 ARG 71 - HE3 LYS 73 lone 5 78 - 6 - HB2 LEU 57 - HE3 LYS 39 lone 5 68 - 7 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 99 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 4 99 - 4 - HB3 ARG 84 - HE2 LYS 73 lone 4 60 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 4 60 - 7 - HB2 LYS 83 - HE2 LYS 73 lone 4 99 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 4 99 - 4 - HB2 ARG 69 - HE2 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 69 - HE3 LYS 73 lone 4 60 - 6 - 2797/3.7=1 HB2 ARG 54 - HE3 LYS 75 lone 4 97 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 4 97 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 92 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 3 99 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 3 99 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 91 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 98 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 98 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 89 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 88 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 3 72 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 72 - 4 - HB2 LEU 62 - HE2 LYS 39 lone 3 42 - 6 - HB2 LYS 85 - HE2 LYS 32 lone 3 60 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 3 60 - 4 - HB2 ARG 69 - HE3 LYS 13 lone 3 50 - 5 - HB2 PRO 34 - HE3 LYS 13 lone 3 91 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 3 68 - 4 - HB3 ARG 82 - HE2 LYS 32 lone 2 99 - 2 - HB2 ARG 69 - HE2 LYS 13 lone 3 49 - 5 - HB3 ARG 82 - HE3 LYS 32 lone 2 99 - 2 - HB3 ARG 82 - HE3 LYS 39 lone 2 68 - 4 - HB2 PRO 34 - HE2 LYS 13 lone 2 89 - 3 - HB2 LEU 62 - HE3 LYS 39 lone 3 39 - 6 - HB ILE 33 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 100 - 2 - HB2 LEU 62 - HE2 LYS 32 lone 2 65 - 4 - HB2 LEU 62 - HE3 LYS 32 lone 2 65 - 4 - HB ILE 33 - HE3 LYS 75 lone 2 99 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 98 - 2 - HB3 ARG 84 - HE3 LYS 32 lone 2 60 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HE3 LYS 32 lone 2 71 - 3 - HG3 ARG 26 - HE2 LYS 32 lone 2 71 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 75 - 3 - HB2 LEU 62 - HE3 LYS 73 lone 2 65 - 3 - HB2 LEU 62 - HE2 LYS 73 lone 2 65 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 2 60 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 60 - 4 - HG3 ARG 71 - HE3 LYS 75 lone 2 76 - 3 - HG3 ARG 71 - HE2 LYS 75 lone 2 76 - 3 - HB2 LYS 85 - HE2 LYS 39 lone 2 38 - 5 - HG2 PRO 34 - HE3 LYS 13 lone 2 82 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 70 - 3 - HG2 PRO 34 - HE2 LYS 13 lone 2 81 - 2 - HB2 LYS 85 - HE3 LYS 39 lone 2 35 - 5 - HB2 ARG 54 - HE3 LYS 13 lone 2 89 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 99 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 99 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 2 88 - 2 - HB2 ARG 69 - HE2 LYS 39 lone 2 38 - 5 - HB3 ARG 82 - HE3 LYS 75 lone 2 97 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 2 97 - 2 - HB2 ARG 69 - HE3 LYS 39 lone 2 35 - 5 - HB3 ARG 82 - HE3 LYS 13 lone 2 89 - 2 - HB3 ARG 17 - HE2 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 73 lone 2 57 - 3 - HB3 ARG 17 - HE3 LYS 32 lone 2 57 - 3 - HB3 ARG 82 - HE2 LYS 13 lone 2 88 - 2 - HB3 ARG 17 - HE2 LYS 32 lone 2 57 - 3 - HG3 ARG 26 - HE2 LYS 73 lone 1 71 - 2 - HG3 ARG 26 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 38 - 3 - HB3 ARG 84 - HE3 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 58 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 35 - 3 - HB2 LEU 62 - HE3 LYS 75 lone 1 64 - 2 - HB2 LEU 62 - HE2 LYS 75 lone 1 63 - 2 - HB2 LEU 62 - HE3 LYS 13 lone 1 55 - 2 - HB2 LEU 62 - HE2 LYS 13 lone 1 54 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 50 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 49 - 2 - HG3 ARG 71 - HE2 LYS 39 lone 1 52 - 1 - HG3 ARG 71 - HE3 LYS 13 lone 1 67 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 1 66 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 1 48 - 1 - HB3 ARG 17 - HE2 LYS 39 lone 1 37 - 1 - HB3 ARG 17 - HE3 LYS 75 lone 1 56 - 1 - HB3 ARG 17 - HE2 LYS 75 lone 1 55 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 69 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 68 - 1 - HB3 ARG 17 - HE3 LYS 39 lone 1 34 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 60 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 59 - 1 - HB3 ARG 17 - HE3 LYS 13 lone 0 48 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 46 - 1 - HB3 ARG 17 - HE2 LYS 13 lone 0 47 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 43 - 1 - Peak 1638 from cnoeabs.peaks (1.28, 2.95, 41.78 ppm; 3.66 A): 2 out of 30 assignments used, quality = 0.99: HG2 LYS 32 + HE2 LYS 32 OK 92 100 - 92 - 3.9=84, 1558/6.4=7...(26) * HG2 LYS 32 + HE3 LYS 32 OK 92 100 - 92 - 3.9=84, 1558/6.4=7...(26) HG2 LYS 32 - HE3 LYS 73 OK 39 100 - 40 - 1592=4, 1.8/1602=4...(13) HG2 LYS 32 - HE2 LYS 73 OK 39 100 - 40 - 1592=4, 1.8/1602=4...(13) HG2 LYS 32 - HE3 LYS 75 OK 16 99 - 16 - 1593=2, 1.8/1603=1...(5) HG2 LYS 32 - HE2 LYS 75 OK 16 99 - 16 - 1593=2, 1.8/1603=1...(5) HG2 ARG 54 - HE2 LYS 32 OK 14 76 - 19 - 1598/3.9=3, 1568/4.6=2...(8) HG2 ARG 54 - HE3 LYS 32 OK 14 76 - 19 - 1598/3.9=3, 1568/4.6=2...(8) HG2 LYS 32 - HE2 LYS 39 OK 11 76 - 15 - 1593=1, 1.8/1603=1 HG2 LYS 32 - HE3 LYS 39 OK 11 71 - 15 - 1593=1, 1593/1.8=1, 1.8/1603=1 HG2 LYS 32 - HE3 LYS 13 lone 9 93 - 9 - HG2 LYS 32 - HE2 LYS 13 lone 9 91 - 9 - HG2 ARG 54 - HE2 LYS 39 poor 7 50 - 15 - 2326/3.6=3, 2328/3.0=1...(4) HG2 ARG 54 - HE3 LYS 39 poor 7 46 - 15 - 2326/3.6=3, 2328/3.0=1...(4) HG2 ARG 54 - HE3 LYS 73 lone 3 76 - 4 - HG2 ARG 54 - HE2 LYS 73 lone 3 76 - 4 - QG2 THR 58 - HE3 LYS 32 lone 2 60 - 4 - QG2 THR 58 - HE2 LYS 32 lone 2 60 - 4 - HG2 ARG 54 - HE3 LYS 75 lone 2 74 - 3 - HG2 ARG 54 - HE2 LYS 75 lone 2 73 - 3 - HG2 ARG 54 - HE3 LYS 13 lone 1 65 - 2 - HG2 ARG 54 - HE2 LYS 13 lone 1 64 - 1 - QG2 THR 58 - HE2 LYS 73 lone 0 60 - 1 - QG2 THR 58 - HE3 LYS 73 lone 0 60 - 1 - QG2 THR 58 - HE3 LYS 75 lone 0 58 - 1 - QG2 THR 58 - HE2 LYS 75 lone 0 58 - 1 - QG2 THR 58 - HE3 LYS 13 lone 0 50 - 1 - QG2 THR 58 - HE2 LYS 13 lone 0 49 - 1 - QG2 THR 58 - HE2 LYS 39 lone 0 38 - 1 - QG2 THR 58 - HE3 LYS 39 lone 0 35 - 1 - Peak 1639 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.43 A): 2 out of 70 assignments used, quality = 0.97: HG3 LYS 32 + HE2 LYS 32 OK 83 100 - 83 - 3.9=69, 1.8/1628=8...(20) * HG3 LYS 32 + HE3 LYS 32 OK 83 100 - 83 - 3.9=69, 1.8/1628=8...(20) HG3 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 1602=3, 1.8/1628=3...(13) HG3 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 1602=3, 1.8/1628=3...(13) HB2 LEU 51 - HE2 LYS 39 OK 18 73 - 24 - ~6088=3, ~4948=3...(8) HB2 LEU 51 - HE3 LYS 39 OK 17 68 - 25 - ~6088=3, ~4948=3...(8) QB ALA 28 - HE3 LYS 32 OK 16 97 - 17 - 1589/3.9=3, 4180/4.6=2...(7) QB ALA 28 - HE2 LYS 32 OK 16 97 - 17 - 1589/3.9=3, 4180/4.6=2...(7) HB2 LEU 51 - HE2 LYS 32 OK 15 99 - 16 - 1589/3.9=2, 2219/3.0=1 HB2 LEU 51 - HE3 LYS 32 OK 15 99 - 15 - 1589/3.9=2, 2219/3.0=1 HG3 LYS 32 - HE3 LYS 75 OK 14 99 - 14 - 1603=1, 1.8/1628=1, 1603/1.8=1 HG3 LYS 32 - HE2 LYS 75 OK 14 99 - 14 - 1603=1, 1.8/1628=1, 1603/1.8=1 HG3 LYS 32 - HE2 LYS 39 OK 10 76 - 14 - 1603=1 HG2 ARG 54 - HE2 LYS 32 OK 10 78 - 13 - 1589/3.9=2, 2325/4.6=1...(4) HG2 ARG 54 - HE3 LYS 32 OK 10 78 - 13 - 1589/3.9=2, 2325/4.6=1...(4) HG3 LYS 32 - HE3 LYS 39 poor 10 71 - 14 - HG3 LYS 32 - HE3 LYS 13 lone 8 93 - 9 - HG3 LYS 32 - HE2 LYS 13 lone 8 91 - 9 - HB2 LEU 52 - HE2 LYS 32 lone 8 99 - 8 - 1589/3.9=1 HB2 LEU 52 - HE3 LYS 32 lone 8 99 - 8 - 1589/3.9=1 HG2 ARG 54 - HE2 LYS 39 poor 7 52 - 14 - 2326/3.6=2, 2328/3.0=1...(4) HB2 LEU 51 - HE3 LYS 73 lone 7 99 - 7 - HB2 LEU 51 - HE2 LYS 73 lone 7 99 - 7 - HG2 ARG 54 - HE3 LYS 39 poor 6 48 - 14 - 2326/3.6=2, 2328/3.0=1...(4) HB2 LEU 51 - HE3 LYS 75 lone 6 98 - 6 - HB2 LEU 51 - HE2 LYS 75 lone 6 97 - 6 - HB2 LEU 52 - HE2 LYS 73 lone 4 99 - 4 - HB2 LEU 52 - HE3 LYS 73 lone 4 99 - 4 - QB ALA 28 - HE2 LYS 73 lone 3 97 - 3 - QB ALA 28 - HE3 LYS 73 lone 3 97 - 3 - QG2 THR 58 - HE2 LYS 32 lone 3 90 - 3 - QG2 THR 58 - HE3 LYS 32 lone 3 90 - 3 - HB2 LEU 51 - HE3 LYS 13 lone 3 90 - 3 - HB2 LEU 51 - HE2 LYS 13 lone 3 89 - 3 - HG2 ARG 54 - HE3 LYS 73 lone 2 78 - 3 - HG2 ARG 54 - HE2 LYS 73 lone 2 78 - 3 - HB2 LEU 52 - HE3 LYS 13 lone 2 90 - 2 - HB2 LEU 52 - HE2 LYS 13 lone 2 89 - 2 - QB ALA 28 - HE2 LYS 39 lone 2 71 - 3 - 5321/3.6=1 QB ALA 28 - HE3 LYS 39 lone 2 66 - 3 - 5321/3.6=1 HG2 ARG 54 - HE3 LYS 75 lone 2 76 - 2 - HG2 ARG 54 - HE2 LYS 75 lone 2 76 - 2 - HB2 LEU 52 - HE2 LYS 39 lone 2 73 - 2 - QB ALA 12 - HE3 LYS 32 lone 1 100 - 1 - QB ALA 12 - HE2 LYS 32 lone 1 100 - 1 - HB2 LEU 52 - HE3 LYS 39 lone 1 68 - 2 - QB ALA 12 - HE3 LYS 13 lone 1 92 - 2 - QB ALA 12 - HE2 LYS 13 lone 1 90 - 2 - HB2 LEU 52 - HE3 LYS 75 lone 1 98 - 1 - HB2 LEU 52 - HE2 LYS 75 lone 1 97 - 1 - QB ALA 28 - HE3 LYS 75 lone 1 96 - 1 - QB ALA 28 - HE2 LYS 75 lone 1 95 - 1 - QB ALA 28 - HE3 LYS 13 lone 1 87 - 1 - QB ALA 28 - HE2 LYS 13 lone 1 86 - 1 - HG2 ARG 54 - HE3 LYS 13 lone 1 67 - 1 - QB ALA 12 - HE3 LYS 75 lone 1 99 - 1 - QB ALA 12 - HE2 LYS 75 lone 1 99 - 1 - HG2 ARG 54 - HE2 LYS 13 lone 1 66 - 1 - QB ALA 12 - HE2 LYS 73 lone 1 100 - 1 - QB ALA 12 - HE3 LYS 73 lone 1 100 - 1 - QG2 THR 58 - HE3 LYS 73 lone 1 90 - 1 - QG2 THR 58 - HE2 LYS 73 lone 1 90 - 1 - QB ALA 12 - HE2 LYS 39 lone 1 75 - 1 - QB ALA 12 - HE3 LYS 39 lone 1 70 - 1 - QG2 THR 58 - HE3 LYS 75 lone 1 89 - 1 - QG2 THR 58 - HE2 LYS 75 lone 1 88 - 1 - QG2 THR 58 - HE3 LYS 13 lone 1 79 - 1 - QG2 THR 58 - HE2 LYS 13 lone 1 78 - 1 - QG2 THR 58 - HE2 LYS 39 lone 0 63 - 1 - QG2 THR 58 - HE3 LYS 39 lone 0 58 - 1 - Peak 1640 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) * HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 32 42 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 31 40 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 10 64 - 16 - HD2 LYS 39 - HE2 LYS 75 poor 10 63 - 15 - HB3 LEU 51 - HE2 LYS 39 poor 10 70 - 14 - ~6088=2, ~4948=2...(6) HD3 LYS 39 - HE3 LYS 75 poor 9 61 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 60 - 16 - HB3 LEU 51 - HE3 LYS 39 poor 9 65 - 14 - ~6088=2, ~4948=2...(6) HD2 LYS 73 - HE3 LYS 13 lone 9 93 - 10 - HD3 LYS 73 - HE3 LYS 13 lone 9 93 - 10 - HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD3 LYS 73 - HE2 LYS 13 lone 9 91 - 10 - HD2 LYS 73 - HE2 LYS 13 lone 9 91 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 9 99 - 8 - HB3 LEU 51 - HE3 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 32 - HE2 LYS 39 lone 5 76 - 6 - HD2 LYS 39 - HE3 LYS 13 lone 5 55 - 9 - HD2 LYS 32 - HE2 LYS 39 lone 5 76 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 54 - 9 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD3 LYS 39 - HE3 LYS 13 lone 5 53 - 9 - HD3 LYS 32 - HE3 LYS 39 lone 5 71 - 7 - HD3 LYS 39 - HE2 LYS 13 lone 5 52 - 9 - HD2 LYS 32 - HE3 LYS 39 lone 5 71 - 6 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD3 LYS 32 - HE3 LYS 13 lone 4 92 - 5 - HD2 LYS 73 - HE2 LYS 39 lone 5 76 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 5 76 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 4 91 - 5 - HD2 LYS 32 - HE3 LYS 13 lone 4 93 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 91 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 7 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD2 LYS 73 - HE3 LYS 39 lone 4 71 - 6 - HD3 LYS 73 - HE3 LYS 39 lone 4 71 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HB2 LEU 86 - HE2 LYS 39 lone 3 75 - 4 - HG LEU 86 - HE2 LYS 39 lone 3 68 - 5 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 96 - 3 - HB2 LEU 86 - HE3 LYS 39 lone 3 70 - 4 - HG LEU 86 - HE3 LYS 39 lone 3 63 - 5 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HB3 LEU 51 - HE3 LYS 75 lone 3 95 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 94 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 88 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 88 - 3 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HB3 LEU 62 - HE2 LYS 39 lone 2 52 - 3 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 97 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 48 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 95 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 85 - 1 - HG2 ARG 71 - HE3 LYS 75 lone 1 97 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 86 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 96 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 94 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 93 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 85 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 61 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 61 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 81 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 84 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 92 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 90 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 57 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 57 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 87 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 87 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 86 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 76 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 76 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 72 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 97 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG3 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 1 67 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 67 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 66 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 72 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 72 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 68 - 1 - HG3 ARG 17 - HE3 LYS 39 lone 0 67 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 79 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 80 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 78 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 88 - 0 - HG3 ARG 27 - HE3 LYS 75 lone 0 76 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 0 77 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 77 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 76 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 76 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 92 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 91 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 95 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 94 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 76 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 89 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 88 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 88 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 71 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 86 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 85 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 69 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 68 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 67 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 54 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 66 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 70 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 52 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 65 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 50 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 48 - 0 - Peak 1641 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 180 assignments used, quality = 1.00: HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) * HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 29 38 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 27 35 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HB3 LEU 51 - HE2 LYS 39 poor 9 67 - 13 - ~6088=2, ~4948=2...(6) HD2 LYS 73 - HE3 LYS 13 lone 9 92 - 10 - HD3 LYS 73 - HE3 LYS 13 lone 9 92 - 10 - HD2 LYS 39 - HE3 LYS 75 poor 9 58 - 15 - HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD2 LYS 73 - HE2 LYS 13 lone 9 91 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 9 91 - 10 - HD2 LYS 39 - HE2 LYS 75 poor 9 58 - 15 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 9 99 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 8 62 - 13 - ~6088=2, ~4948=2...(6) HB3 LEU 51 - HE2 LYS 32 lone 6 94 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 6 95 - 7 - 2225/3.9=1 HD3 LYS 32 - HE2 LYS 39 lone 5 76 - 6 - HD2 LYS 32 - HE2 LYS 39 lone 5 76 - 6 - HD3 LYS 32 - HE3 LYS 39 lone 5 71 - 7 - HG2 ARG 71 - HE2 LYS 32 lone 5 99 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 99 - 5 - HD2 LYS 39 - HE3 LYS 73 lone 5 60 - 8 - HD2 LYS 32 - HE3 LYS 39 lone 5 71 - 6 - HD2 LYS 39 - HE2 LYS 73 lone 5 60 - 8 - HD3 LYS 32 - HE3 LYS 13 lone 4 93 - 5 - HD3 LYS 73 - HE2 LYS 39 lone 4 76 - 6 - HD2 LYS 73 - HE2 LYS 39 lone 4 76 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 4 91 - 5 - HD2 LYS 39 - HE3 LYS 13 lone 4 50 - 9 - HD2 LYS 32 - HE3 LYS 13 lone 4 92 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 91 - 5 - HD2 LYS 39 - HE2 LYS 13 lone 4 49 - 9 - HD3 LYS 73 - HE3 LYS 39 lone 4 71 - 6 - HD2 LYS 73 - HE3 LYS 39 lone 4 71 - 6 - HD2 LYS 39 - HE2 LYS 32 lone 4 60 - 6 - HD2 LYS 39 - HE3 LYS 32 lone 4 60 - 6 - HB2 LEU 86 - HE2 LYS 39 lone 3 76 - 4 - HB2 LEU 86 - HE3 LYS 39 lone 3 71 - 4 - HB3 LEU 51 - HE2 LYS 73 lone 3 94 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 94 - 3 - HG LEU 86 - HE2 LYS 39 lone 3 66 - 5 - HG2 ARG 71 - HE3 LYS 73 lone 3 99 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 99 - 3 - HB3 LEU 51 - HE3 LYS 75 lone 3 93 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 61 - 5 - HB3 LEU 51 - HE2 LYS 75 lone 3 92 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 73 lone 2 85 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 85 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 85 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 85 - 3 - HG3 ARG 84 - HE2 LYS 32 lone 2 85 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 85 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 85 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 85 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 48 - 3 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 93 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 93 - 1 - HG2 ARG 71 - HE3 LYS 75 lone 1 98 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 97 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 45 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 1 84 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 93 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 73 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 73 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 73 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 73 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 92 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 91 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 98 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 98 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 85 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 85 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 83 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 83 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 92 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 91 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 81 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 58 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 58 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 53 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 53 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 83 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 83 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 82 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 82 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 73 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 98 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 98 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 98 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 1 68 - 1 - HG3 ARG 17 - HE2 LYS 75 lone 0 97 - 0 - HB3 LEU 62 - HE3 LYS 75 lone 1 71 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 0 71 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 74 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 73 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 69 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 83 - 1 - HG3 ARG 17 - HE3 LYS 39 lone 0 68 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 85 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 85 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 82 - 1 - HG3 ARG 27 - HE3 LYS 75 lone 0 81 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 63 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 83 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 80 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 83 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 61 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 90 - 0 - HG2 ARG 71 - HE2 LYS 13 lone 0 89 - 0 - HG3 ARG 84 - HE3 LYS 13 lone 0 74 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 74 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 93 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 97 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 91 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 72 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 72 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 96 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 91 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 76 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 90 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 89 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 89 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 71 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 74 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 88 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 72 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 71 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 58 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 70 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 56 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 72 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 53 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 67 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 52 - 0 - Peak 1642 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 98 98 - 100 HE2 LYS 75 + HE2 LYS 75 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 84 84 - 100 HE2 LYS 13 + HE2 LYS 13 OK 81 81 - 100 HE2 LYS 39 + HE2 LYS 39 OK 48 48 - 100 HE3 LYS 39 - HE3 LYS 39 OK 41 41 - 100 Reference assignment not found: HE2 LYS 32 - HE3 LYS 32 Peak 1643 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: * HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 98 98 - 100 HE2 LYS 75 + HE2 LYS 75 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 85 85 - 100 HE2 LYS 13 + HE2 LYS 13 OK 82 82 - 100 HE2 LYS 39 + HE2 LYS 39 OK 50 50 - 100 HE3 LYS 39 - HE3 LYS 39 OK 43 43 - 100 Peak 1644 from cnoeabs.peaks (7.91, 3.89, 56.86 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 33 + HA ILE 33 OK 100 100 - 100 - 3.0=100 H ASP 67 - HA ILE 33 OK 15 71 - 21 - 1658/3.2=4, 1651/3.0=4...(5) Peak 1645 from cnoeabs.peaks (3.89, 3.89, 56.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 33 + HA ILE 33 OK 100 100 - 100 Peak 1646 from cnoeabs.peaks (1.77, 3.89, 56.86 ppm; 3.91 A): 6 out of 17 assignments used, quality = 1.00: * HB ILE 33 + HA ILE 33 OK 100 100 - 100 - 3.0=100 HG2 PRO 34 + HA ILE 33 OK 87 98 - 89 - 2.3/4216=31, 2.3/4217=27...(36) HB2 PRO 34 + HA ILE 33 OK 83 97 - 86 - 3.0/4216=27, 3.0/4217=24...(32) HB2 LEU 57 + HA ILE 33 OK 72 100 - 72 - 3.1/1650=14, ~4612=11...(23) HB3 LYS 32 + HA ILE 33 OK 61 100 - 61 - ~3776=13, ~3779=11...(21) HB2 LYS 32 + HA ILE 33 OK 61 100 - 61 - ~3776=13, ~3779=11...(21) HB2 ARG 54 - HA ILE 33 OK 40 100 - 40 - 1.8/4569=5, 4568=5...(20) HB2 LEU 62 - HA ILE 33 OK 11 78 - 14 - ~4229=2, ~4854=2, ~2566=1 HB2 LYS 13 - HA ILE 33 OK 10 81 - 13 - 3.0/1648=2, 3.0/1648=1 HB3 LYS 39 - HA ILE 33 poor 9 93 - 10 - 1687/3.8=1, 1694/3.8=1 HB3 LYS 73 - HA ILE 33 lone 8 98 - 8 - ~5188=2, ~5179=1 HB3 ARG 82 - HA ILE 33 lone 7 100 - 6 - HG3 ARG 71 - HA ILE 33 lone 5 89 - 5 - 1689/3.8=1 HG3 ARG 26 - HA ILE 33 lone 4 83 - 4 - HB3 LYS 75 - HA ILE 33 lone 3 85 - 3 - HB2 LYS 83 - HA ILE 33 lone 2 95 - 2 - HB3 ARG 17 - HA ILE 33 lone 2 71 - 2 - Peak 1647 from cnoeabs.peaks (0.31, 3.89, 56.86 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + HA ILE 33 OK 100 100 - 100 - 3.2=100 Peak 1648 from cnoeabs.peaks (1.44, 3.89, 56.86 ppm; 4.70 A): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 33 + HA ILE 33 OK 100 100 - 100 - 3.9=100 HB3 LEU 57 + HA ILE 33 OK 59 73 - 81 - 3.1/1650=19, ~4612=17...(21) HG13 ILE 89 + HA ILE 33 OK 50 100 - 50 - 1668/3.2=13, 1665/3.0=9...(9) HB3 LEU 52 - HA ILE 33 OK 29 60 - 48 - 3.9/5545=9, ~5197=6...(17) HG3 LYS 13 - HA ILE 33 OK 22 96 - 23 - 1655/3.0=3, 1662/3.2=3...(10) HG2 LYS 13 - HA ILE 33 OK 17 81 - 21 - 1655/3.0=2, 1662/3.2=2...(9) QB ALA 30 - HA ILE 33 OK 17 100 - 17 - 574/3.0=6, ~5179=4...(6) HB3 LEU 43 - HA ILE 33 OK 15 99 - 16 - 1655/3.0=2, 1683/4.1=2...(7) HG3 LYS 85 - HA ILE 33 lone 5 98 - 5 - Peak 1649 from cnoeabs.peaks (1.22, 3.89, 56.86 ppm; 4.50 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + HA ILE 33 OK 100 100 - 100 - 3.9=100 QG2 VAL 65 + HA ILE 33 OK 67 99 - 67 - 4727/3.2=37, 4725/4.1=17...(11) QG1 VAL 65 + HA ILE 33 OK 60 95 - 64 - ~4727=23, 4729/4.1=14...(16) HG13 ILE 40 + HA ILE 33 OK 56 96 - 59 - ~4300=22, 2.1/4852=15...(13) HG LEU 52 - HA ILE 33 OK 29 73 - 40 - 5.0/5545=7, ~4219=4...(16) HG2 ARG 69 - HA ILE 33 OK 12 81 - 15 - 1675/3.2=4, 1672/3.0=2...(6) QG2 THR 15 - HA ILE 33 lone 2 63 - 3 - Peak 1650 from cnoeabs.peaks (0.71, 3.89, 56.86 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.99: * QD1 ILE 33 + HA ILE 33 OK 94 100 - 94 - 4.1=67, 1682/3.2=30...(23) QD2 LEU 57 + HA ILE 33 OK 81 100 - 81 - 4612/3.2=20, 4603/3.8=16...(28) Peak 1651 from cnoeabs.peaks (7.91, 1.77, 36.30 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.92: * H ILE 33 + HB ILE 33 OK 91 100 - 91 - 3.9=71, 573/2.1=28...(13) H ASP 67 + HB ILE 33 OK 12 71 - 17 - 1658/2.1=4, 1679/3.2=4...(5) Peak 1652 from cnoeabs.peaks (3.89, 1.77, 36.30 ppm; 4.45 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 33 + HB ILE 33 OK 100 100 - 100 - 3.0=100 HD2 PRO 36 + HB ILE 33 OK 70 89 - 79 - 4.8/5547=18, 1659/2.1=12...(25) HA LEU 51 + HB ILE 33 OK 58 100 - 58 - 1659/2.1=9, 1680/3.2=8...(17) HB3 SER 22 - HB ILE 33 OK 17 100 - 17 - 1659/2.1=3, 1680/3.2=2...(7) Peak 1653 from cnoeabs.peaks (1.77, 1.77, 36.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 33 + HB ILE 33 OK 100 100 - 100 Peak 1654 from cnoeabs.peaks (0.31, 1.77, 36.30 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + HB ILE 33 OK 100 100 - 100 - 2.1=100 Peak 1655 from cnoeabs.peaks (1.44, 1.77, 36.30 ppm; 3.95 A): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 33 + HB ILE 33 OK 100 100 - 100 - 3.0=100 HB3 LEU 57 + HB ILE 33 OK 65 73 - 88 - ~4612=15, 3.1/1657=13...(37) HG13 ILE 89 + HB ILE 33 OK 57 100 - 57 - 1668/2.1=12, 3.2/5560=7...(18) HB3 LEU 52 - HB ILE 33 OK 30 60 - 50 - 1.8/4219=9, ~5197=6...(24) HG3 LYS 13 - HB ILE 33 OK 27 96 - 28 - 1662/2.1=3, 1683/3.2=2...(12) HG2 LYS 13 - HB ILE 33 OK 22 81 - 27 - 1662/2.1=2, 1021=2...(12) HB3 LEU 43 - HB ILE 33 OK 21 99 - 21 - 3.1/5560=3, 1683/3.2=2...(8) QB ALA 30 - HB ILE 33 OK 17 100 - 17 - 574/3.9=4, 1683/3.2=2...(7) HG3 LYS 85 - HB ILE 33 lone 6 98 - 6 - Peak 1656 from cnoeabs.peaks (1.22, 1.77, 36.30 ppm; 3.76 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + HB ILE 33 OK 100 100 - 100 - 3.0=100 QG2 VAL 65 + HB ILE 33 OK 68 99 - 69 - 4727/2.1=36, 4725/3.2=15...(18) QG1 VAL 65 + HB ILE 33 OK 60 95 - 63 - ~4727=21, 4729/3.2=13...(19) HG13 ILE 40 + HB ILE 33 OK 54 96 - 56 - ~4300=20, ~4220=8...(16) HG LEU 52 - HB ILE 33 OK 29 73 - 40 - 3.0/4219=6, ~5195=3...(17) HG2 ARG 69 - HB ILE 33 OK 13 81 - 16 - 1675/2.1=3, 1678/3.2=2...(5) QG2 THR 15 - HB ILE 33 lone 2 63 - 2 - Peak 1657 from cnoeabs.peaks (0.71, 1.77, 36.30 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HB ILE 33 OK 100 100 - 100 - 3.2=100 QD2 LEU 57 + HB ILE 33 OK 96 100 - 96 - 4612/2.1=34, ~4614=18...(44) Peak 1658 from cnoeabs.peaks (7.91, 0.31, 17.04 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 33 + QG2 ILE 33 OK 100 100 - 100 - 4.1=100 H ASP 67 - QG2 ILE 33 OK 18 71 - 25 - 1679/3.2=5, 1651/2.1=5...(6) Peak 1659 from cnoeabs.peaks (3.89, 0.31, 17.04 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 33 + QG2 ILE 33 OK 100 100 - 100 - 3.2=100 HD2 PRO 36 + QG2 ILE 33 OK 59 89 - 66 - 4.8/4248=18, 1680/3.2=7...(25) HA LEU 51 - QG2 ILE 33 OK 42 100 - 42 - 1652/2.1=6, 1680/3.2=5...(17) HB3 SER 22 - QG2 ILE 33 OK 12 100 - 12 - 1652/2.1=2, 1680/3.2=1...(4) Peak 1660 from cnoeabs.peaks (1.77, 0.31, 17.04 ppm; 3.19 A): 4 out of 17 assignments used, quality = 1.00: * HB ILE 33 + QG2 ILE 33 OK 100 100 - 100 - 2.1=100 HG2 PRO 34 + QG2 ILE 33 OK 83 98 - 85 - 2.3/4215=21, 2.3/4214=19...(38) HB2 PRO 34 + QG2 ILE 33 OK 80 97 - 82 - 4.0/4248=18, 3.0/4215=18...(38) HB2 LEU 57 + QG2 ILE 33 OK 72 100 - 72 - 3.1/4612=16, 3.1/4614=11...(35) HB3 LYS 32 - QG2 ILE 33 OK 36 100 - 36 - 4.3/573=13, 2.9/5195=2...(11) HB2 LYS 32 - QG2 ILE 33 OK 36 100 - 36 - 4.3/573=13, 2.9/5195=2...(11) HB2 ARG 54 - QG2 ILE 33 OK 19 100 - 19 - 4568/3.2=2, 5707/4208=2...(5) HB2 LEU 62 - QG2 ILE 33 OK 14 78 - 18 - 3.0/4854=2, ~6070=2, ~4229=1 HB2 LYS 13 - QG2 ILE 33 OK 11 81 - 14 - 3.0/1662=1, ~4222=1, 3.0/1662=1 HB3 LYS 39 - QG2 ILE 33 lone 6 93 - 6 - HB3 ARG 82 - QG2 ILE 33 lone 4 100 - 4 - HB3 LYS 73 - QG2 ILE 33 lone 4 98 - 4 - HG3 ARG 71 - QG2 ILE 33 lone 3 89 - 4 - HG3 ARG 26 - QG2 ILE 33 lone 3 83 - 3 - HB3 LYS 75 - QG2 ILE 33 lone 2 85 - 2 - HB2 LYS 83 - QG2 ILE 33 lone 1 95 - 2 - HB3 ARG 17 - QG2 ILE 33 lone 1 71 - 2 - Peak 1661 from cnoeabs.peaks (0.31, 0.31, 17.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + QG2 ILE 33 OK 100 100 - 100 Peak 1662 from cnoeabs.peaks (1.44, 0.31, 17.04 ppm; 4.01 A): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 33 + QG2 ILE 33 OK 100 100 - 100 - 3.2=100 HB3 LEU 57 + QG2 ILE 33 OK 64 73 - 87 - 3.1/4612=26, 3.1/4614=20...(33) HG13 ILE 89 + QG2 ILE 33 OK 58 100 - 58 - 1668=16, 1671/3.2=7...(18) HB3 LEU 52 - QG2 ILE 33 OK 33 60 - 54 - 3.0/5197=12, 1.8/5195=8...(27) HG3 LYS 13 - QG2 ILE 33 OK 25 96 - 26 - 1655/2.1=3, 1683/3.2=3...(11) HG2 LYS 13 - QG2 ILE 33 OK 20 81 - 24 - 1655/2.1=2, 1683/3.2=2...(10) HB3 LEU 43 - QG2 ILE 33 OK 18 99 - 18 - 1655/2.1=2, 1683/3.2=2...(8) QB ALA 30 - QG2 ILE 33 OK 12 100 - 12 - 574/4.1=4, 1683/3.2=2...(5) HG3 LYS 85 - QG2 ILE 33 lone 5 98 - 5 - Peak 1663 from cnoeabs.peaks (1.22, 0.31, 17.04 ppm; 3.13 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QG2 ILE 33 OK 98 100 - 98 - 3.2=95, 2.1/1682=31...(12) QG2 VAL 65 + QG2 ILE 33 OK 61 99 - 62 - 4727=32, 4725/3.2=11...(17) QG1 VAL 65 + QG2 ILE 33 OK 56 95 - 59 - 2.1/4727=26, 4729/3.2=9...(16) HG13 ILE 40 + QG2 ILE 33 OK 45 96 - 47 - 2.1/4300=23, 1656/2.1=4...(16) HG LEU 52 - QG2 ILE 33 OK 23 73 - 32 - 3.0/5195=4, ~4219=2...(16) HG2 ARG 69 - QG2 ILE 33 OK 10 81 - 13 - 1675=3, 1678/3.2=1, 1962/4300=1 QG2 THR 15 - QG2 ILE 33 lone 1 63 - 2 - Peak 1664 from cnoeabs.peaks (0.71, 0.31, 17.04 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + QG2 ILE 33 OK 100 100 - 100 - 3.2=100 QD2 LEU 57 + QG2 ILE 33 OK 86 100 - 86 - 4612=20, 2.1/4614=12...(39) Peak 1665 from cnoeabs.peaks (7.91, 1.44, 27.27 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.95: * H ILE 33 + HG12 ILE 33 OK 92 100 - 92 - 4.5=60, 1651/3.0=28...(12) H ILE 33 + HG13 ILE 89 OK 34 98 - 35 - 4.1/1668=7, 574=7...(10) H ASP 67 - HG12 ILE 33 OK 16 71 - 22 - 1672/1.8=5, 1679/2.1=5...(5) H ASP 67 - HG13 ILE 89 lone 3 66 - 4 - Peak 1666 from cnoeabs.peaks (3.89, 1.44, 27.27 ppm; 4.81 A): 4 out of 8 assignments used, quality = 1.00: * HA ILE 33 + HG12 ILE 33 OK 100 100 - 100 - 3.9=100 HD2 PRO 36 + HG12 ILE 33 OK 59 89 - 67 - 1680/2.1=12, 1659/3.2=11...(18) HA ILE 33 + HG13 ILE 89 OK 50 98 - 51 - 3.2/1668=13, 3.0/1665=10...(9) HA LEU 51 + HG12 ILE 33 OK 46 100 - 46 - 1680/2.1=10, 1652/3.0=9...(11) HB3 SER 22 - HG12 ILE 33 OK 13 100 - 13 - 1680/2.1=3, 1652/3.0=3...(5) HA LEU 51 - HG13 ILE 89 lone 6 97 - 6 - 1659/1668=1 HD2 PRO 36 - HG13 ILE 89 lone 6 84 - 7 - 1659/1668=2, 1680/1671=1 HB3 SER 22 - HG13 ILE 89 lone 3 97 - 3 - Peak 1667 from cnoeabs.peaks (1.77, 1.44, 27.27 ppm; 3.79 A): 6 out of 34 assignments used, quality = 1.00: * HB ILE 33 + HG12 ILE 33 OK 100 100 - 100 - 3.0=100 HB2 LEU 57 + HG12 ILE 33 OK 86 100 - 86 - 2440/2.1=15, ~4221=10...(34) HG2 PRO 34 + HG12 ILE 33 OK 78 98 - 80 - 4860/2.1=15, ~4851=14...(26) HB2 PRO 34 + HG12 ILE 33 OK 74 97 - 76 - ~4851=12, ~4860=10...(28) HB ILE 33 + HG13 ILE 89 OK 54 98 - 56 - 2.1/1668=11, 1655=7...(18) HB3 LYS 73 + HG13 ILE 89 OK 49 94 - 52 - 6149/1.8=6, 1.8/3627=6...(26) HB3 LYS 32 - HG12 ILE 33 OK 42 100 - 42 - 4.3/1665=13, 3.0/5543=5...(16) HB2 LYS 32 - HG12 ILE 33 OK 42 100 - 42 - 4.3/1665=13, 3.0/5543=5...(16) HB2 LYS 13 - HG13 ILE 89 OK 21 76 - 27 - ~5274=3, 6149/1.8=3...(13) HB2 LYS 13 - HG12 ILE 33 OK 18 81 - 22 - ~4222=3, 1.8/1014=2...(8) HB2 LEU 62 - HG12 ILE 33 OK 17 78 - 22 - ~6070=4, ~4999=3...(9) HB2 ARG 54 - HG12 ILE 33 OK 14 100 - 14 - 4568/3.9=3, 1681/2.1=2...(5) HB3 LYS 75 - HG13 ILE 89 OK 13 80 - 16 - 6149/1.8=2, ~5274=2...(5) HB2 LYS 32 - HG13 ILE 89 OK 11 97 - 11 - 4.3/1665=5, 4.0/5541=2 HB3 LYS 32 - HG13 ILE 89 OK 11 97 - 11 - 4.3/1665=5, 4.0/5541=2 HB2 LEU 57 - HG13 ILE 89 OK 10 98 - 11 - 3.1/1671=1, 2440/1671=1 HB3 LYS 39 - HG13 ILE 89 lone 7 89 - 8 - ~5274=1 HB3 LYS 73 - HG12 ILE 33 lone 7 98 - 7 - HB2 LYS 83 - HG13 ILE 89 lone 5 90 - 5 - 4.3/3625=1 HB3 LYS 39 - HG12 ILE 33 lone 5 93 - 5 - HB3 ARG 82 - HG13 ILE 89 lone 5 97 - 4 - HB3 ARG 17 - HG13 ILE 89 lone 4 66 - 6 - HG2 PRO 34 - HG13 ILE 89 lone 4 94 - 4 - HB3 ARG 82 - HG12 ILE 33 lone 4 100 - 4 - HB2 PRO 34 - HG13 ILE 89 lone 4 93 - 4 - HB3 LYS 75 - HG12 ILE 33 lone 4 85 - 4 - HG3 ARG 71 - HG13 ILE 89 lone 3 84 - 4 - HB2 LEU 62 - HG13 ILE 89 lone 3 74 - 3 - HB2 ARG 54 - HG13 ILE 89 lone 2 97 - 2 - HB2 LYS 83 - HG12 ILE 33 lone 2 95 - 2 - HG3 ARG 71 - HG12 ILE 33 lone 2 89 - 2 - HG3 ARG 26 - HG13 ILE 89 lone 2 78 - 3 - HG3 ARG 26 - HG12 ILE 33 lone 2 83 - 2 - HB3 ARG 17 - HG12 ILE 33 lone 1 71 - 2 - Peak 1668 from cnoeabs.peaks (0.31, 1.44, 27.27 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 33 + HG12 ILE 33 OK 100 100 - 100 - 3.2=100 QG2 ILE 33 + HG13 ILE 89 OK 55 98 - 57 - 1662=9, 3.2/1671=7...(18) Peak 1669 from cnoeabs.peaks (1.44, 1.44, 27.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 33 + HG12 ILE 33 OK 100 100 - 100 HG13 ILE 89 + HG13 ILE 89 OK 97 97 - 100 Peak 1670 from cnoeabs.peaks (1.22, 1.44, 27.27 ppm; 3.09 A): 2 out of 14 assignments used, quality = 1.00: * HG13 ILE 33 + HG12 ILE 33 OK 100 100 - 100 - 1.8=100 QG2 VAL 65 + HG12 ILE 33 OK 51 99 - 51 - 4727/3.2=19, 4725/2.1=14...(15) HG13 ILE 33 - HG13 ILE 89 OK 45 98 - 46 - 1676=7, 3.2/1668=6...(19) QG1 VAL 65 - HG12 ILE 33 OK 43 95 - 46 - 4729/2.1=11, ~4727=9...(17) HG13 ILE 40 - HG12 ILE 33 OK 35 96 - 36 - ~4300=9, 1684/2.1=4...(15) HG LEU 52 - HG12 ILE 33 OK 20 73 - 28 - 1684/2.1=3, ~5196=2...(15) HG2 ARG 69 - HG12 ILE 33 OK 10 81 - 12 - 1675/3.2=2, 1678/2.1=1...(4) QG2 VAL 65 - HG13 ILE 89 lone 8 96 - 8 - 4727/1668=2 HG2 ARG 69 - HG13 ILE 89 lone 6 76 - 8 - ~5274=1 HG13 ILE 40 - HG13 ILE 89 lone 6 91 - 6 - QG1 VAL 65 - HG13 ILE 89 lone 5 90 - 5 - QG2 THR 15 - HG13 ILE 89 lone 1 58 - 2 - QG2 THR 15 - HG12 ILE 33 lone 1 63 - 2 - HG LEU 52 - HG13 ILE 89 lone 1 69 - 1 - Peak 1671 from cnoeabs.peaks (0.71, 1.44, 27.27 ppm; 3.73 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 33 + HG12 ILE 33 OK 100 100 - 100 - 2.1=100 QD2 LEU 57 + HG12 ILE 33 OK 90 100 - 90 - 4612/3.2=22, 1678/1.8=17...(33) QD1 ILE 33 + HG13 ILE 89 OK 58 98 - 60 - 3.2/1668=9, 1683=8...(19) QD2 LEU 57 - HG13 ILE 89 OK 14 97 - 14 - 4612/1668=3, 576/1665=1 Peak 1672 from cnoeabs.peaks (7.91, 1.22, 27.27 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.94: * H ILE 33 + HG13 ILE 33 OK 93 100 - 93 - 4.5=64, 1651/3.0=29...(10) H ASP 67 + HG13 ILE 33 OK 19 71 - 27 - 1679/2.1=6, 1665/1.8=4...(9) H ILE 33 - HG2 ARG 69 poor 8 63 - 12 - 575=3, 4.1/1675=2, 4.8/1678=1 H ASP 67 - HG2 ARG 69 poor 7 37 - 18 - 5807/3.9=3, 3.6/4734=3...(7) Peak 1673 from cnoeabs.peaks (3.89, 1.22, 27.27 ppm; 4.70 A): 3 out of 8 assignments used, quality = 1.00: * HA ILE 33 + HG13 ILE 33 OK 100 100 - 100 - 3.9=100 HD2 PRO 36 + HG13 ILE 33 OK 59 89 - 66 - 1680/2.1=12, 1659/3.2=11...(18) HA LEU 51 + HG13 ILE 33 OK 49 100 - 49 - 1680/2.1=10, 1652/3.0=8...(12) HD2 PRO 36 - HG2 ARG 69 OK 15 50 - 29 - ~5253=10, 1.8/5254=3...(9) HB3 SER 22 - HG13 ILE 33 OK 14 100 - 13 - 1680/2.1=3, 1652/3.0=2...(5) HA ILE 33 - HG2 ARG 69 poor 10 63 - 15 - 3.2/1675=4, 3.0/1672=2...(6) HA LEU 51 - HG2 ARG 69 lone 4 62 - 7 - HB3 SER 22 - HG2 ARG 69 lone 3 62 - 4 - Peak 1674 from cnoeabs.peaks (1.77, 1.22, 27.27 ppm; 3.57 A): 4 out of 34 assignments used, quality = 1.00: * HB ILE 33 + HG13 ILE 33 OK 100 100 - 100 - 3.0=100 HB2 LEU 57 + HG13 ILE 33 OK 82 100 - 82 - 2440/2.1=13, 3.1/1678=12...(31) HG2 PRO 34 + HG13 ILE 33 OK 74 98 - 75 - 4860/2.1=14, ~4851=12...(27) HB2 PRO 34 + HG13 ILE 33 OK 70 97 - 73 - ~4851=10, ~4860=8...(29) HB3 LYS 32 - HG13 ILE 33 OK 36 100 - 36 - 4.3/1672=13, ~5543=3...(14) HB2 LYS 32 - HG13 ILE 33 OK 36 100 - 36 - 4.3/1672=13, ~5543=3...(14) HB2 LEU 62 - HG13 ILE 33 OK 16 78 - 20 - 3.0/4999=4, ~6070=4...(7) HB2 LYS 13 - HG13 ILE 33 OK 15 81 - 19 - ~4222=2, 3.0/1676=2...(7) HB2 ARG 54 - HG13 ILE 33 OK 14 100 - 14 - 4568/3.9=2, 1681/2.1=2 HB3 LYS 73 - HG2 ARG 69 OK 13 59 - 22 - ~2818=2, ~2802=2, 4818/3.9=1 HB ILE 33 - HG2 ARG 69 poor 9 63 - 14 - 2.1/1675=3, 1656=2...(5) HB3 LYS 75 - HG2 ARG 69 poor 9 47 - 19 - 4.6/3943=1, 4818/3.9=1...(7) HB2 LYS 32 - HG2 ARG 69 poor 7 62 - 11 - ~4777=1, 4.3/1672=1...(4) HB3 LYS 32 - HG2 ARG 69 poor 7 62 - 11 - ~4777=1, 4.3/1672=1...(4) HB3 LYS 39 - HG2 ARG 69 poor 6 54 - 11 - 4.4/606=3 HB3 LYS 39 - HG13 ILE 33 lone 6 93 - 6 - 4.4/606=2 HB3 LYS 73 - HG13 ILE 33 lone 5 98 - 5 - HB2 LYS 13 - HG2 ARG 69 lone 4 44 - 9 - HB3 ARG 82 - HG13 ILE 33 lone 4 100 - 4 - HB3 LYS 75 - HG13 ILE 33 lone 3 85 - 3 - HB2 LEU 62 - HG2 ARG 69 lone 2 42 - 6 - 3907/4.7=1 HG2 PRO 34 - HG2 ARG 69 lone 2 59 - 4 - HB2 LYS 83 - HG2 ARG 69 lone 2 55 - 4 - HG3 ARG 71 - HG13 ILE 33 lone 2 89 - 2 - HB2 LEU 57 - HG2 ARG 69 lone 2 63 - 3 - HB2 PRO 34 - HG2 ARG 69 lone 2 57 - 3 - HB2 LYS 83 - HG13 ILE 33 lone 2 95 - 2 - HG3 ARG 26 - HG13 ILE 33 lone 1 83 - 2 - HB2 ARG 54 - HG2 ARG 69 lone 1 63 - 2 - HB3 ARG 17 - HG13 ILE 33 lone 1 71 - 2 - HG3 ARG 71 - HG2 ARG 69 lone 1 50 - 2 - HB3 ARG 82 - HG2 ARG 69 lone 1 63 - 1 - HG3 ARG 26 - HG2 ARG 69 lone 1 46 - 1 - HB3 ARG 17 - HG2 ARG 69 lone 0 37 - 1 - Peak 1675 from cnoeabs.peaks (0.31, 1.22, 27.27 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 33 + HG13 ILE 33 OK 100 100 - 100 - 3.2=100 QG2 ILE 33 - HG2 ARG 69 OK 11 63 - 17 - 1663=2, 4300/1962=2...(7) Peak 1676 from cnoeabs.peaks (1.44, 1.22, 27.27 ppm; 2.99 A): 2 out of 18 assignments used, quality = 1.00: * HG12 ILE 33 + HG13 ILE 33 OK 100 100 - 100 - 1.8=100 HB3 LEU 57 + HG13 ILE 33 OK 47 73 - 65 - 3.1/1678=8, 2447/2.1=6...(31) HG13 ILE 89 - HG13 ILE 33 OK 42 100 - 43 - 1670=6, 1668/3.2=5...(19) HB3 LEU 52 - HG13 ILE 33 OK 19 60 - 32 - ~5196=3, ~4219=2...(15) HG3 LYS 13 - HG13 ILE 33 OK 16 96 - 16 - 1683/2.1=2, 1033/1.8=1...(5) HB3 LEU 43 - HG13 ILE 33 OK 14 99 - 14 - 1683/2.1=2, 3.1/4853=1...(4) HG2 LYS 13 - HG13 ILE 33 OK 12 81 - 15 - 1024/1.8=2, 1683/2.1=2...(4) QB ALA 30 - HG13 ILE 33 lone 8 100 - 8 - 574/4.5=2, 1683/2.1=2 HG12 ILE 33 - HG2 ARG 69 poor 8 63 - 12 - 3.2/1675=2, 1670=1...(4) HG3 LYS 85 - HG2 ARG 69 lone 5 59 - 8 - HG13 ILE 89 - HG2 ARG 69 lone 4 62 - 7 - HG3 LYS 13 - HG2 ARG 69 lone 4 56 - 6 - HG3 LYS 85 - HG13 ILE 33 lone 3 98 - 3 - HG2 LYS 13 - HG2 ARG 69 lone 3 44 - 6 - HB3 LEU 43 - HG2 ARG 69 lone 2 61 - 3 - QB ALA 30 - HG2 ARG 69 lone 2 63 - 3 - HB3 LEU 57 - HG2 ARG 69 lone 1 39 - 2 - HB3 LEU 52 - HG2 ARG 69 lone 0 31 - 1 - Peak 1677 from cnoeabs.peaks (1.22, 1.22, 27.27 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 33 + HG13 ILE 33 OK 100 100 - 100 HG2 ARG 69 - HG2 ARG 69 OK 44 44 - 100 Peak 1678 from cnoeabs.peaks (0.71, 1.22, 27.27 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * QD1 ILE 33 + HG13 ILE 33 OK 100 100 - 100 - 2.1=100 QD2 LEU 57 + HG13 ILE 33 OK 88 100 - 88 - 4612/3.2=20, ~4221=13...(35) QD1 ILE 33 - HG2 ARG 69 OK 11 63 - 17 - 3.2/1675=2, 1684=2...(4) QD2 LEU 57 - HG2 ARG 69 lone 3 62 - 5 - Peak 1679 from cnoeabs.peaks (7.91, 0.71, 10.77 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.95: * H ILE 33 + QD1 ILE 33 OK 95 100 - 95 - 4.8=61, 573/3.2=29...(17) H ASP 67 - QD1 ILE 33 OK 19 71 - 27 - 1672/2.1=6, 1665/2.1=4...(7) Peak 1680 from cnoeabs.peaks (3.89, 0.71, 10.77 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.95: * HA ILE 33 + QD1 ILE 33 OK 91 100 - 91 - 4.1=60, 3.2/1682=28...(22) HD2 PRO 36 + QD1 ILE 33 OK 45 89 - 51 - 4.8/5351=10, 1.8/4226=8...(15) HA LEU 51 - QD1 ILE 33 OK 36 100 - 36 - 3.6/4210=5, 1659/3.2=5...(14) HB3 SER 22 - QD1 ILE 33 lone 10 100 - 9 - 1659/3.2=1, 1652/3.2=1 Peak 1681 from cnoeabs.peaks (1.77, 0.71, 10.77 ppm; 3.52 A): 4 out of 17 assignments used, quality = 1.00: * HB ILE 33 + QD1 ILE 33 OK 100 100 - 100 - 3.2=100 HB2 LEU 57 + QD1 ILE 33 OK 84 100 - 84 - 3.1/4221=17, 2440=15...(34) HG2 PRO 34 + QD1 ILE 33 OK 78 98 - 79 - 2.3/4851=19, 1.8/5352=13...(30) HB2 PRO 34 + QD1 ILE 33 OK 74 97 - 77 - 3.0/4851=17, 2.3/5352=12...(30) HB3 LYS 32 - QD1 ILE 33 OK 41 100 - 41 - 4.3/1679=14, 3.0/4227=3...(14) HB2 LYS 32 - QD1 ILE 33 OK 41 100 - 41 - 4.3/1679=14, 3.0/4227=3...(14) HB2 ARG 54 - QD1 ILE 33 OK 22 100 - 22 - 4.6/5550=3, 4568/4.1=2...(6) HB2 LEU 62 - QD1 ILE 33 OK 21 78 - 27 - 4.0/4673=6, 3.0/6070=5...(6) HB2 LYS 13 - QD1 ILE 33 OK 18 81 - 22 - 1.8/4222=4, 3.0/1683=2...(7) HB3 LYS 39 - QD1 ILE 33 lone 6 93 - 7 - HB3 LYS 73 - QD1 ILE 33 lone 6 98 - 6 - HB3 ARG 82 - QD1 ILE 33 lone 5 100 - 5 - HB3 LYS 75 - QD1 ILE 33 lone 4 85 - 4 - HG3 ARG 71 - QD1 ILE 33 lone 3 89 - 3 - HB3 ARG 17 - QD1 ILE 33 lone 3 71 - 4 - 4.0/4211=1 HG3 ARG 26 - QD1 ILE 33 lone 3 83 - 3 - HB2 LYS 83 - QD1 ILE 33 lone 2 95 - 2 - Peak 1682 from cnoeabs.peaks (0.31, 0.71, 10.77 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.99: * QG2 ILE 33 + QD1 ILE 33 OK 99 100 - 99 - 3.2=98, 4.1/1679=11...(18) Peak 1683 from cnoeabs.peaks (1.44, 0.71, 10.77 ppm; 3.26 A): 3 out of 9 assignments used, quality = 1.00: * HG12 ILE 33 + QD1 ILE 33 OK 100 100 - 100 - 2.1=100 HB3 LEU 57 + QD1 ILE 33 OK 56 73 - 76 - 3.1/4221=14, 1.8/2440=11...(32) HG13 ILE 89 + QD1 ILE 33 OK 50 100 - 50 - 1671=7, 1668/3.2=6...(19) HB3 LEU 52 - QD1 ILE 33 OK 24 60 - 40 - 1.8/5196=7, 3.9/4210=4...(19) HG3 LYS 13 - QD1 ILE 33 OK 22 96 - 23 - 3.0/4222=3, 1676/2.1=2...(8) HB3 LEU 43 - QD1 ILE 33 OK 19 99 - 19 - 3.1/6122=3, 1676/2.1=2...(5) HG2 LYS 13 - QD1 ILE 33 OK 18 81 - 22 - 3.0/4222=3, 2.9/4222=2...(8) QB ALA 30 - QD1 ILE 33 OK 18 100 - 18 - 3.6/5550=4, 574/4.8=2...(5) HG3 LYS 85 - QD1 ILE 33 lone 4 98 - 4 - Peak 1684 from cnoeabs.peaks (1.22, 0.71, 10.77 ppm; 2.83 A): 3 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QD1 ILE 33 OK 100 100 - 100 - 2.1=100 QG2 VAL 65 + QD1 ILE 33 OK 54 99 - 55 - 4727/3.2=16, 4725=15...(15) QG1 VAL 65 + QD1 ILE 33 OK 48 95 - 51 - 2.1/4725=12, 4729=9...(17) HG13 ILE 40 - QD1 ILE 33 OK 34 96 - 35 - ~4300=7, 2.1/4221=5...(12) HG LEU 52 - QD1 ILE 33 OK 20 73 - 27 - 3.0/5196=4, 5.0/4210=2...(14) HG2 ARG 69 - QD1 ILE 33 poor 9 81 - 11 - 1675/3.2=1, 1678=1 QG2 THR 15 - QD1 ILE 33 lone 1 63 - 2 - Peak 1685 from cnoeabs.peaks (0.71, 0.71, 10.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 33 + QD1 ILE 33 OK 100 100 - 100 Peak 1687 from cnoeabs.peaks (1.78, 2.72, 50.48 ppm; 4.23 A): 6 out of 17 assignments used, quality = 1.00: * HB2 PRO 34 + HD2 PRO 34 OK 100 100 - 100 - 3.0=100 HB ILE 33 + HD2 PRO 34 OK 95 97 - 99 - 4.8=67, 2.1/4215=35...(33) HG2 PRO 34 + HD2 PRO 34 OK 83 83 - 100 - 2.3=100 HB2 LEU 57 + HD2 PRO 34 OK 63 95 - 66 - 3.1/4603=25, ~4605=14...(17) HB2 LYS 32 + HD2 PRO 34 OK 47 99 - 48 - 97/4.8=4, 1713/1.8=4...(20) HB3 LYS 32 + HD2 PRO 34 OK 47 99 - 48 - 98/4.8=4, 1713/1.8=4...(20) HB3 LYS 39 - HD2 PRO 34 OK 31 100 - 31 - ~5207=3, ~1723=3...(15) HB2 ARG 54 - HD2 PRO 34 OK 27 93 - 29 - 5707/5552=3, 4568/3.8=3...(12) HG3 ARG 71 - HD2 PRO 34 OK 18 63 - 29 - 2.8/1688=2, 2.8/1688=2...(12) HB3 ARG 82 - HD2 PRO 34 OK 12 93 - 13 - 1713/1.8=1, 5568=1...(4) HB2 LYS 13 - HD2 PRO 34 lone 5 97 - 5 - HB3 LYS 73 - HD2 PRO 34 lone 5 100 - 5 - HB3 ARG 84 - HD2 PRO 34 lone 4 76 - 5 - HB2 ARG 69 - HD2 PRO 34 lone 4 76 - 5 - HB3 LYS 75 - HD2 PRO 34 lone 3 99 - 3 - HB2 LYS 83 - HD2 PRO 34 lone 3 100 - 3 - HB2 LYS 85 - HD2 PRO 34 lone 2 76 - 2 - Peak 1688 from cnoeabs.peaks (1.87, 2.72, 50.48 ppm; 5.13 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 34 + HD2 PRO 34 OK 100 100 - 100 - 3.0=100 HB3 ARG 71 - HD2 PRO 34 OK 42 83 - 52 - 1720/1.8=5, 1730/2.3=4...(19) HB2 ARG 71 - HD2 PRO 34 OK 41 81 - 52 - 1720/1.8=4, 1730/2.3=4...(19) HB2 LYS 39 - HD2 PRO 34 OK 39 85 - 47 - 5940/5552=6, ~5207=5...(23) HB2 ARG 26 - HD2 PRO 34 OK 39 99 - 39 - 1723/2.3=4, 1730/2.3=4...(10) HB3 ARG 26 - HD2 PRO 34 OK 38 99 - 39 - 1723/2.3=4, 1730/2.3=4...(10) HB ILE 68 - HD2 PRO 34 OK 29 76 - 38 - ~5249=8, 5246/2.3=7...(13) HB3 PRO 14 - HD2 PRO 34 OK 20 95 - 21 - 1730/2.3=2, ~6058=2...(12) HB3 ARG 27 - HD2 PRO 34 OK 19 83 - 23 - 1730/2.3=2, 1719=2...(12) HB2 ARG 27 - HD2 PRO 34 OK 19 81 - 23 - 1730/2.3=2, 1719=2...(12) HB2 ARG 66 - HD2 PRO 34 OK 10 100 - 10 - 1730/2.3=1 HB2 MET 11 - HD2 PRO 34 lone 8 97 - 8 - HB2 GLN 91 - HD2 PRO 34 lone 6 76 - 7 - HB3 ARG 23 - HD2 PRO 34 lone 4 68 - 6 - HB2 ARG 23 - HD2 PRO 34 lone 4 65 - 6 - Peak 1689 from cnoeabs.peaks (1.76, 2.72, 50.48 ppm; 3.96 A): 4 out of 16 assignments used, quality = 1.00: * HG2 PRO 34 + HD2 PRO 34 OK 100 100 - 100 - 2.3=100 HB ILE 33 + HD2 PRO 34 OK 95 98 - 97 - 4.8=55, 2.1/4215=32...(31) HB2 PRO 34 + HD2 PRO 34 OK 83 83 - 100 - 3.0=100 HB2 LEU 57 + HD2 PRO 34 OK 61 99 - 62 - 3.1/4603=22, ~4605=12...(17) HB2 LYS 32 - HD2 PRO 34 OK 39 93 - 42 - 572/4.8=4, 1.8/5568=3...(20) HB3 LYS 32 - HD2 PRO 34 OK 39 93 - 42 - 572/4.8=4, 1.8/5568=3...(20) HG3 ARG 71 - HD2 PRO 34 OK 26 99 - 27 - 2.8/1688=2, 2.8/1688=2...(12) HB2 ARG 54 - HD2 PRO 34 OK 26 99 - 26 - 5707/5552=3, 4568/3.8=3...(11) HB3 LYS 39 - HD2 PRO 34 OK 19 76 - 26 - ~5207=3, ~1723=2...(12) HG3 ARG 26 - HD2 PRO 34 OK 19 97 - 20 - 3.0/1688=2, 3.0/1688=2...(9) HB3 ARG 82 - HD2 PRO 34 OK 10 99 - 10 - 1711/2.3=1, 1713/1.8=1, 5568=1 HB2 LEU 62 - HD2 PRO 34 lone 9 95 - 9 - HB3 LYS 73 - HD2 PRO 34 lone 4 87 - 4 - HB3 ARG 17 - HD2 PRO 34 lone 2 90 - 2 - HB2 LYS 83 - HD2 PRO 34 lone 2 78 - 2 - HB3 LYS 75 - HD2 PRO 34 lone 2 63 - 2 - Peak 1690 from cnoeabs.peaks (1.04, 2.72, 50.48 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HD2 PRO 34 OK 100 100 - 100 - 2.3=100 QD1 ILE 40 + HD2 PRO 34 OK 76 95 - 80 - 4300/4.1=26, 1725/2.3=15...(17) Peak 1691 from cnoeabs.peaks (2.72, 2.72, 50.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + HD2 PRO 34 OK 100 100 - 100 Peak 1692 from cnoeabs.peaks (3.54, 2.72, 50.48 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HD2 PRO 34 OK 100 100 - 100 - 1.8=100 HD3 PRO 36 + HD2 PRO 34 OK 47 68 - 70 - 1698=10, 1.8/4236=9...(31) Peak 1693 from cnoeabs.peaks (4.32, 3.54, 50.48 ppm; 5.47 A): 1 out of 8 assignments used, quality = 1.00: * HA PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 3.6=100 HA PRO 34 - HD3 PRO 36 OK 35 45 - 78 - 3.6/111=16, 1706=15...(15) HA LEU 86 - HD3 PRO 34 OK 28 93 - 30 - 5558/1.8=7, 1721/2.3=6...(7) HA GLU 87 - HD3 PRO 34 OK 25 100 - 25 - 5558/1.8=5, 1728/2.3=5...(6) HA ALA 16 - HD3 PRO 34 OK 23 99 - 23 - 5558/1.8=5, 1721/2.3=5...(6) HA LEU 86 - HD3 PRO 36 lone 4 38 - 10 - 105/4.8=2 HA GLU 87 - HD3 PRO 36 lone 3 45 - 7 - 105/4.8=2 HA ALA 16 - HD3 PRO 36 lone 3 44 - 7 - 105/4.8=2 Peak 1694 from cnoeabs.peaks (1.78, 3.54, 50.48 ppm; 4.02 A): 6 out of 34 assignments used, quality = 1.00: * HB2 PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 3.0=100 HB ILE 33 + HD3 PRO 34 OK 94 97 - 97 - 4.8=58, 2.1/4214=31...(31) HG2 PRO 34 + HD3 PRO 34 OK 83 83 - 100 - 2.3=100 HB2 LEU 57 + HD3 PRO 34 OK 59 95 - 63 - 3.1/4605=19, ~4603=15...(17) HB2 LYS 32 + HD3 PRO 34 OK 45 99 - 46 - 98/4.8=4, 1713=4...(21) HB3 LYS 32 + HD3 PRO 34 OK 45 99 - 46 - 98/4.8=4, 1713=4...(21) HB2 PRO 34 - HD3 PRO 36 OK 34 45 - 74 - 2.3/1727=12, 3.0/1692=12...(26) HB3 LYS 39 - HD3 PRO 34 OK 32 100 - 33 - 1.8/1695=2, ~1723=2...(15) HB ILE 33 - HD3 PRO 36 OK 28 41 - 70 - 5547/4.8=14, 3.0/4217=10...(21) HB3 LYS 39 - HD3 PRO 36 OK 28 45 - 61 - 2.9/5208=8, 4877/3.0=6...(22) HG2 PRO 34 - HD3 PRO 36 OK 25 32 - 78 - 1727=14, 2.3/1692=13...(29) HB2 ARG 54 - HD3 PRO 34 OK 24 93 - 26 - 4568/3.8=3, 5707/4598=2...(11) HG3 ARG 71 - HD3 PRO 34 OK 16 63 - 26 - 2.8/1720=3, 2.8/1720=3...(9) HB3 ARG 82 - HD3 PRO 34 OK 11 93 - 11 - 1713=1, 1711/2.3=1...(4) HB2 LEU 57 - HD3 PRO 36 poor 8 39 - 20 - 3.1/4605=7, ~4606=4...(5) HB2 ARG 54 - HD3 PRO 36 poor 7 38 - 18 - 4568/1.8=2, ~4569=2...(5) HB2 LYS 32 - HD3 PRO 36 poor 6 44 - 14 - 4.3/5555=6, 5561/4.8=1 HB3 LYS 32 - HD3 PRO 36 poor 6 44 - 14 - 4.3/5555=6, 5561/4.8=1 HB2 ARG 69 - HD3 PRO 36 poor 6 28 - 21 - 3.0/5253=5, 3.0/5254=3...(9) HB3 LYS 73 - HD3 PRO 34 lone 6 100 - 6 - HB2 LYS 13 - HD3 PRO 34 lone 5 97 - 5 - HB3 LYS 75 - HD3 PRO 36 poor 5 43 - 12 - 4877/3.0=1, ~5104=1...(4) HB3 LYS 75 - HD3 PRO 34 lone 4 99 - 4 - HB2 ARG 69 - HD3 PRO 34 lone 3 76 - 5 - HB3 ARG 84 - HD3 PRO 34 lone 3 76 - 4 - HB3 LYS 73 - HD3 PRO 36 lone 3 45 - 7 - HB2 LYS 83 - HD3 PRO 34 lone 2 100 - 2 - HB2 LYS 13 - HD3 PRO 36 lone 2 42 - 4 - HB2 LYS 85 - HD3 PRO 34 lone 2 76 - 2 - HB2 LYS 83 - HD3 PRO 36 lone 1 45 - 2 - HB3 ARG 82 - HD3 PRO 36 lone 1 38 - 3 - HB2 LYS 85 - HD3 PRO 36 lone 1 28 - 3 - HB3 ARG 84 - HD3 PRO 36 lone 1 28 - 2 - HG3 ARG 71 - HD3 PRO 36 lone 1 22 - 2 - Peak 1695 from cnoeabs.peaks (1.87, 3.54, 50.48 ppm; 4.48 A): 1 out of 30 assignments used, quality = 1.00: * HB3 PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 3.0=100 HB3 PRO 34 - HD3 PRO 36 OK 37 45 - 81 - 2.3/1727=14, 2.3/1734=14...(26) HB3 ARG 71 - HD3 PRO 34 OK 36 83 - 44 - 1720=5, 1723/2.3=4...(16) HB2 LYS 39 - HD3 PRO 34 OK 36 85 - 42 - 1723/2.3=4, 1730/2.3=4...(20) HB2 ARG 71 - HD3 PRO 34 OK 35 81 - 44 - 1720=5, 1.8/1720=4...(16) HB2 ARG 26 - HD3 PRO 34 OK 33 99 - 33 - 1723/2.3=4, 1730/2.3=3...(10) HB3 ARG 26 - HD3 PRO 34 OK 32 99 - 33 - 1723/2.3=4, 1730/2.3=3...(10) HB2 LYS 39 - HD3 PRO 36 OK 24 33 - 74 - 2.9/5208=10, 5104/1.8=9...(26) HB ILE 68 - HD3 PRO 34 OK 24 76 - 31 - ~5249=6, 5246/2.3=6...(11) HB3 PRO 14 - HD3 PRO 34 OK 16 95 - 17 - 1730/2.3=2, 1723/2.3=2...(8) HB3 ARG 27 - HD3 PRO 34 OK 16 83 - 19 - 1720=2, 1723/2.3=2...(8) HB2 ARG 27 - HD3 PRO 34 OK 15 81 - 19 - 1720=2, 1723/2.3=2...(10) HB2 MET 11 - HD3 PRO 36 OK 10 41 - 25 - 966/3.0=7, ~971=5...(7) HB2 ARG 66 - HD3 PRO 34 lone 8 100 - 8 - HB2 MET 11 - HD3 PRO 34 lone 6 97 - 6 - HB2 GLN 91 - HD3 PRO 34 lone 4 76 - 6 - HB3 ARG 23 - HD3 PRO 34 lone 3 68 - 5 - HB2 ARG 23 - HD3 PRO 34 lone 3 65 - 5 - HB ILE 68 - HD3 PRO 36 lone 3 28 - 9 - ~4753=2, ~5042=2 HB2 ARG 26 - HD3 PRO 36 lone 2 44 - 5 - HB3 ARG 26 - HD3 PRO 36 lone 2 43 - 5 - HB3 ARG 71 - HD3 PRO 36 lone 2 32 - 6 - 5562/4.8=1 HB2 ARG 71 - HD3 PRO 36 lone 2 31 - 6 - 5562/4.8=1 HB2 ARG 66 - HD3 PRO 36 lone 2 45 - 4 - HB3 PRO 14 - HD3 PRO 36 lone 1 39 - 4 - HB3 ARG 27 - HD3 PRO 36 lone 1 32 - 4 - HB2 ARG 27 - HD3 PRO 36 lone 1 31 - 4 - HB3 ARG 23 - HD3 PRO 36 lone 1 25 - 3 - HB2 ARG 23 - HD3 PRO 36 lone 1 24 - 3 - HB2 GLN 91 - HD3 PRO 36 lone 1 28 - 2 - Peak 1696 from cnoeabs.peaks (1.76, 3.54, 50.48 ppm; 3.83 A): 4 out of 32 assignments used, quality = 1.00: * HG2 PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 2.3=100 HB ILE 33 + HD3 PRO 34 OK 94 98 - 96 - 4.8=50, 2.1/4214=28...(30) HB2 PRO 34 + HD3 PRO 34 OK 83 83 - 100 - 3.0=100 HB2 LEU 57 + HD3 PRO 34 OK 59 99 - 59 - 3.1/4605=17, ~4603=13...(18) HB3 LYS 32 - HD3 PRO 34 OK 38 93 - 41 - 572/4.8=4, 1.8/1713=3...(16) HB2 LYS 32 - HD3 PRO 34 OK 38 93 - 41 - 572/4.8=4, 1.8/1713=3...(16) HG2 PRO 34 - HD3 PRO 36 OK 34 45 - 76 - 1727=15, 2.3/1692=13...(29) HB ILE 33 - HD3 PRO 36 OK 27 42 - 64 - 5547/4.8=13, 3.0/4217=10...(20) HG3 ARG 71 - HD3 PRO 34 OK 25 99 - 25 - 2.8/1720=2, 2.8/1720=2...(11) HB2 ARG 54 - HD3 PRO 34 OK 24 99 - 24 - 4568/3.8=3, 5707/4598=2...(10) HB2 PRO 34 - HD3 PRO 36 OK 22 32 - 68 - 2.3/1727=11, 3.0/1692=11...(21) HB3 LYS 39 - HD3 PRO 34 OK 21 76 - 28 - 1.8/1695=2, ~1723=2...(12) HG3 ARG 26 - HD3 PRO 34 OK 18 97 - 19 - 3.0/1695=2, 3.0/1695=2...(9) HB3 LYS 39 - HD3 PRO 36 OK 15 28 - 53 - 2.9/5208=7, ~4893=5...(21) HB3 ARG 82 - HD3 PRO 34 lone 10 99 - 9 - HB2 LEU 62 - HD3 PRO 34 lone 8 95 - 9 - HB2 LEU 57 - HD3 PRO 36 poor 8 43 - 18 - 3.1/4605=6, ~4606=3...(5) HB2 ARG 54 - HD3 PRO 36 poor 7 44 - 16 - 4568/1.8=2, 5707/4598=2...(4) HB3 LYS 32 - HD3 PRO 36 poor 4 38 - 12 - 4.3/5555=5 HB2 LYS 32 - HD3 PRO 36 poor 4 38 - 12 - 4.3/5555=5 HB3 LYS 73 - HD3 PRO 34 lone 4 87 - 5 - HB2 LEU 62 - HD3 PRO 36 lone 2 39 - 6 - HB3 ARG 17 - HD3 PRO 34 lone 2 90 - 2 - HB3 LYS 75 - HD3 PRO 36 lone 2 22 - 8 - ~5104=1 HB3 LYS 73 - HD3 PRO 36 lone 2 34 - 5 - HB3 LYS 75 - HD3 PRO 34 lone 2 63 - 3 - HB2 LYS 83 - HD3 PRO 34 lone 1 78 - 2 - HG3 ARG 71 - HD3 PRO 36 lone 1 43 - 2 - HB3 ARG 82 - HD3 PRO 36 lone 1 44 - 2 - HG3 ARG 26 - HD3 PRO 36 lone 1 41 - 2 - HB2 LYS 83 - HD3 PRO 36 lone 0 30 - 2 - HB3 ARG 17 - HD3 PRO 36 lone 0 36 - 1 - Peak 1697 from cnoeabs.peaks (1.04, 3.54, 50.48 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 2.3=100 QD1 ILE 40 + HD3 PRO 34 OK 78 95 - 82 - 4300/4.1=27, 1690/1.8=17...(16) HG3 PRO 34 - HD3 PRO 36 OK 39 45 - 86 - 1734=18, 5564/4.8=17...(31) QD1 ILE 40 - HD3 PRO 36 OK 22 39 - 57 - 109/4.8=9, 1959/3.0=9...(17) Peak 1698 from cnoeabs.peaks (2.72, 3.54, 50.48 ppm; 3.27 A): 1 out of 6 assignments used, quality = 1.00: * HD2 PRO 34 + HD3 PRO 34 OK 100 100 - 100 - 1.8=100 HD2 PRO 34 - HD3 PRO 36 OK 32 45 - 71 - 1692=16, 4236/1.8=9...(31) HB2 ASN 80 - HD3 PRO 34 OK 19 83 - 24 - 1726/2.3=4, 1733/2.3=4...(11) HB2 ASP 46 - HD3 PRO 34 poor 8 73 - 11 - 1733/2.3=2, 1726/2.3=2 HB2 ASN 80 - HD3 PRO 36 lone 2 32 - 7 - 110/4.8=2 HB2 ASP 46 - HD3 PRO 36 lone 1 27 - 3 - Peak 1699 from cnoeabs.peaks (3.54, 3.54, 50.48 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HD3 PRO 34 OK 100 100 - 100 HD3 PRO 36 - HD3 PRO 36 OK 25 25 - 100 Peak 1700 from cnoeabs.peaks (4.32, 4.32, 63.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 34 + HA PRO 34 OK 100 100 - 100 Peak 1701 from cnoeabs.peaks (1.78, 4.32, 63.87 ppm; 3.22 A): 2 out of 17 assignments used, quality = 1.00: * HB2 PRO 34 + HA PRO 34 OK 100 100 - 100 - 2.3=100 HG2 PRO 34 + HA PRO 34 OK 53 83 - 64 - 3.8=58, 3790/3.6=6, 4862/4.8=4 HB ILE 33 - HA PRO 34 OK 34 97 - 35 - 5547/3.6=10, 2.1/5557=8...(12) HB2 LYS 32 - HA PRO 34 OK 22 99 - 22 - 1707=3, 1.8/1707=2...(7) HB3 LYS 32 - HA PRO 34 OK 22 99 - 22 - 1707=3, 1.8/1707=2...(7) HB3 LYS 39 - HA PRO 34 OK 14 100 - 15 - 1.8/1702=2, 1715/2.3=1 HB2 LEU 57 - HA PRO 34 OK 14 95 - 15 - 1729/3.8=2, 1687/3.6=2...(10) HB2 ARG 54 - HA PRO 34 OK 13 93 - 14 - 1707=1, 4568/4.8=1 HG3 ARG 71 - HA PRO 34 poor 8 63 - 12 - 2.8/1702=2, 2.8/1702=2 HB3 ARG 82 - HA PRO 34 lone 7 93 - 7 - 1707=1 HB2 LYS 13 - HA PRO 34 lone 2 97 - 2 - HB3 ARG 84 - HA PRO 34 lone 2 76 - 3 - HB3 LYS 73 - HA PRO 34 lone 2 100 - 2 - HB3 LYS 75 - HA PRO 34 lone 2 99 - 2 - HB2 ARG 69 - HA PRO 34 lone 1 76 - 2 - HB2 LYS 83 - HA PRO 34 lone 1 100 - 1 - HB2 LYS 85 - HA PRO 34 lone 1 76 - 2 - Peak 1702 from cnoeabs.peaks (1.87, 4.32, 63.87 ppm; 3.14 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 34 + HA PRO 34 OK 100 100 - 100 - 2.3=100 HB3 ARG 71 - HA PRO 34 OK 14 83 - 16 - 1714=2, 1.8/1714=2...(8) HB2 LYS 39 - HA PRO 34 OK 13 85 - 16 - 1709/2.3=2, 1.8/1701=2...(6) HB2 ARG 71 - HA PRO 34 OK 13 81 - 16 - 1714=2, 1.8/1714=2...(8) HB2 ARG 26 - HA PRO 34 OK 12 99 - 12 - 1723/3.8=1, 1709/2.3=1 HB3 ARG 26 - HA PRO 34 OK 12 99 - 12 - 1723/3.8=1, 1709/2.3=1 HB3 PRO 14 - HA PRO 34 lone 8 95 - 8 - HB ILE 68 - HA PRO 34 poor 8 76 - 10 - 5246/3.8=2 HB3 ARG 27 - HA PRO 34 lone 5 83 - 6 - HB2 ARG 27 - HA PRO 34 lone 5 81 - 6 - HB2 ARG 66 - HA PRO 34 lone 3 100 - 3 - HB2 MET 11 - HA PRO 34 lone 3 97 - 3 - HB2 GLN 91 - HA PRO 34 lone 2 76 - 3 - HB3 ARG 23 - HA PRO 34 lone 1 68 - 2 - HB2 ARG 23 - HA PRO 34 lone 1 65 - 2 - Peak 1703 from cnoeabs.peaks (1.76, 4.32, 63.87 ppm; 3.21 A): 3 out of 16 assignments used, quality = 0.96: HB2 PRO 34 + HA PRO 34 OK 83 83 - 100 - 2.3=100 * HG2 PRO 34 + HA PRO 34 OK 65 100 - 65 - 3.8=58, 3790/3.6=7, 4862/4.8=5 HB ILE 33 + HA PRO 34 OK 34 98 - 35 - 5547/3.6=10, 2.1/5557=8...(12) HB2 LYS 32 - HA PRO 34 OK 19 93 - 20 - 1707=2, 1.8/1707=2...(7) HB3 LYS 32 - HA PRO 34 OK 19 93 - 20 - 1707=2, 1.8/1707=2...(7) HB2 LEU 57 - HA PRO 34 OK 15 99 - 15 - 1689/3.6=2, 1731/3.8=2...(10) HB2 ARG 54 - HA PRO 34 OK 14 99 - 14 - 4568/4.8=1, 1707=1 HG3 ARG 71 - HA PRO 34 OK 13 99 - 13 - 2.8/1702=2, 2.8/1702=2 HG3 ARG 26 - HA PRO 34 OK 10 97 - 10 - 3.0/1702=2, 3.0/1702=2 HB3 LYS 39 - HA PRO 34 poor 10 76 - 13 - 1.8/1702=2 HB3 ARG 82 - HA PRO 34 lone 7 99 - 7 - 1707=1 HB2 LEU 62 - HA PRO 34 lone 3 95 - 3 - HB3 LYS 73 - HA PRO 34 lone 2 87 - 2 - HB3 ARG 17 - HA PRO 34 lone 1 90 - 2 - HB2 LYS 83 - HA PRO 34 lone 1 78 - 1 - HB3 LYS 75 - HA PRO 34 lone 1 63 - 1 - Peak 1704 from cnoeabs.peaks (1.04, 4.32, 63.87 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HA PRO 34 OK 100 100 - 100 - 3.8=100 QD1 ILE 40 + HA PRO 34 OK 60 95 - 64 - 1690/3.6=14, 109/3.6=13...(10) Peak 1705 from cnoeabs.peaks (2.72, 4.32, 63.87 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 34 + HA PRO 34 OK 100 100 - 100 - 3.6=100 HB2 ASN 80 - HA PRO 34 OK 26 83 - 31 - 1726/3.8=6, 1733/3.8=6...(9) HB2 ASP 46 - HA PRO 34 OK 11 73 - 15 - 1733/3.8=2, 1726/3.8=2...(7) Peak 1706 from cnoeabs.peaks (3.54, 4.32, 63.87 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HA PRO 34 OK 100 100 - 100 - 3.6=100 HD3 PRO 36 - HA PRO 34 OK 44 68 - 65 - 1692/3.6=12, 111/3.6=12...(14) Peak 1707 from cnoeabs.peaks (4.32, 1.78, 30.55 ppm; 3.58 A): 1 out of 24 assignments used, quality = 1.00: * HA PRO 34 + HB2 PRO 34 OK 100 100 - 100 - 2.3=100 HA PRO 34 - HB3 LYS 32 OK 17 65 - 27 - 1701=4, 1701/1.8=3...(8) HA PRO 34 - HB2 LYS 32 OK 17 65 - 27 - 1701=4, 1701/1.8=3...(8) HA LEU 86 - HB2 PRO 34 OK 14 93 - 15 - 1714/1.8=3, 1721/2.3=3...(6) HA GLU 87 - HB2 PRO 34 OK 13 100 - 13 - 1714/1.8=2, 1721/2.3=2...(6) HA ALA 16 - HB2 PRO 34 OK 11 99 - 11 - 1721/2.3=2, 1714/1.8=2...(6) HA PRO 34 - HB2 ARG 54 poor 9 51 - 17 - 1701=2, ~2317=1, ~5479=1 HA PRO 34 - HB3 ARG 82 lone 8 91 - 9 - 1701=1 HA LEU 86 - HB3 ARG 84 lone 5 60 - 8 - 3.0/386=1, ~387=1 HA PRO 34 - HB3 ARG 84 lone 3 70 - 3 - HA LEU 86 - HB2 LYS 32 lone 2 55 - 4 - HA LEU 86 - HB3 LYS 32 lone 2 55 - 4 - HA LEU 86 - HB2 ARG 54 lone 2 43 - 5 - HA GLU 87 - HB3 ARG 84 lone 1 70 - 2 - HA ALA 16 - HB3 ARG 82 lone 1 89 - 1 - HA ALA 16 - HB3 ARG 84 lone 1 68 - 2 - HA LEU 86 - HB3 ARG 82 lone 1 81 - 1 - HA GLU 87 - HB3 LYS 32 lone 1 65 - 1 - HA GLU 87 - HB2 LYS 32 lone 1 65 - 1 - HA GLU 87 - HB3 ARG 82 lone 1 91 - 1 - HA ALA 16 - HB2 LYS 32 lone 1 63 - 1 - HA ALA 16 - HB3 LYS 32 lone 1 63 - 1 - HA GLU 87 - HB2 ARG 54 lone 1 51 - 1 - HA ALA 16 - HB2 ARG 54 lone 0 50 - 1 - Peak 1708 from cnoeabs.peaks (1.78, 1.78, 30.55 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB2 PRO 34 + HB2 PRO 34 OK 100 100 - 100 HB3 ARG 82 + HB3 ARG 82 OK 81 81 - 100 HB2 LYS 32 + HB2 LYS 32 OK 63 63 - 100 HB3 LYS 32 + HB3 LYS 32 OK 63 63 - 100 HB3 ARG 84 + HB3 ARG 84 OK 46 46 - 100 HB2 ARG 54 - HB2 ARG 54 OK 43 43 - 100 Peak 1709 from cnoeabs.peaks (1.87, 1.78, 30.55 ppm; 2.82 A): 1 out of 90 assignments used, quality = 1.00: * HB3 PRO 34 + HB2 PRO 34 OK 100 100 - 100 - 1.8=100 HB2 LYS 39 - HB2 PRO 34 OK 18 85 - 21 - 1723/2.3=2, 1702/2.3=2...(6) HB3 ARG 71 - HB2 PRO 34 OK 16 83 - 19 - 1723/2.3=2, 1702/2.3=2...(4) HB2 ARG 71 - HB2 PRO 34 OK 15 81 - 19 - 1723/2.3=2, 1702/2.3=2...(5) HB2 ARG 26 - HB2 PRO 34 OK 14 99 - 14 - 1723/2.3=2, 1702/2.3=2 HB3 ARG 26 - HB2 PRO 34 OK 14 99 - 14 - 1723/2.3=2, 1702/2.3=2 HB3 PRO 34 - HB2 LYS 32 OK 13 65 - 21 - 2.3/1701=2, 2.3/1729=2...(5) HB3 PRO 34 - HB3 LYS 32 OK 13 65 - 21 - 2.3/1701=2, 2.3/1729=2...(5) HB ILE 68 - HB2 PRO 34 OK 10 76 - 13 - ~5249=2, 5246/2.3=2...(5) HB2 LYS 39 - HB2 ARG 54 poor 9 38 - 24 - 1846/1.8=2, 1845=2...(9) HB3 PRO 14 - HB2 PRO 34 lone 8 95 - 8 - HB3 ARG 27 - HB2 PRO 34 lone 6 83 - 7 - HB2 ARG 27 - HB2 PRO 34 lone 6 81 - 7 - HB2 LYS 39 - HB2 LYS 32 poor 6 48 - 12 - HB2 LYS 39 - HB3 LYS 32 poor 6 48 - 12 - HB3 PRO 34 - HB2 ARG 54 poor 5 51 - 11 - 2.3/1701=1 HB3 PRO 34 - HB3 ARG 82 lone 4 91 - 5 - HB3 ARG 71 - HB2 LYS 32 lone 4 47 - 9 - HB3 ARG 71 - HB3 LYS 32 lone 4 47 - 9 - HB2 ARG 71 - HB2 LYS 32 lone 4 45 - 9 - HB2 ARG 71 - HB3 LYS 32 lone 4 45 - 9 - HB2 LYS 39 - HB3 ARG 82 lone 4 72 - 5 - HB3 ARG 23 - HB3 ARG 82 lone 3 56 - 6 - HB2 ARG 66 - HB2 LYS 32 lone 3 64 - 5 - HB2 ARG 66 - HB3 LYS 32 lone 3 64 - 5 - HB2 ARG 23 - HB3 ARG 82 lone 3 54 - 6 - HB2 ARG 66 - HB2 PRO 34 lone 3 100 - 3 - HB2 LYS 39 - HB3 ARG 84 lone 3 53 - 5 - HB2 MET 11 - HB2 PRO 34 lone 3 97 - 3 - HB2 ARG 26 - HB3 LYS 32 lone 2 63 - 4 - HB2 ARG 26 - HB2 LYS 32 lone 2 63 - 4 - HB3 ARG 26 - HB3 LYS 32 lone 2 62 - 4 - HB3 ARG 26 - HB2 LYS 32 lone 2 62 - 4 - HB2 ARG 26 - HB3 ARG 84 lone 2 68 - 3 - HB3 ARG 26 - HB3 ARG 84 lone 2 67 - 3 - HB3 ARG 71 - HB3 ARG 84 lone 2 51 - 4 - HB2 ARG 71 - HB3 ARG 84 lone 2 49 - 4 - HB2 GLN 91 - HB2 PRO 34 lone 2 76 - 2 - HB3 PRO 34 - HB3 ARG 84 lone 1 70 - 2 - HB3 ARG 23 - HB2 PRO 34 lone 1 68 - 2 - HB3 ARG 27 - HB2 LYS 32 lone 1 47 - 3 - HB3 ARG 27 - HB3 LYS 32 lone 1 47 - 3 - HB3 ARG 71 - HB3 ARG 82 lone 1 70 - 2 - HB2 ARG 23 - HB2 PRO 34 lone 1 65 - 2 - HB2 ARG 27 - HB2 LYS 32 lone 1 45 - 3 - HB2 ARG 27 - HB3 LYS 32 lone 1 45 - 3 - HB2 ARG 71 - HB3 ARG 82 lone 1 68 - 2 - HB2 ARG 66 - HB3 ARG 82 lone 1 91 - 1 - HB2 ARG 26 - HB3 ARG 82 lone 1 89 - 1 - HB ILE 68 - HB2 LYS 32 lone 1 42 - 2 - HB ILE 68 - HB3 LYS 32 lone 1 42 - 2 - HB3 ARG 26 - HB3 ARG 82 lone 1 88 - 1 - HB3 PRO 14 - HB3 LYS 32 lone 1 57 - 1 - HB3 PRO 14 - HB2 LYS 32 lone 1 57 - 1 - HB ILE 68 - HB3 ARG 82 lone 1 63 - 1 - HB3 PRO 14 - HB3 ARG 82 lone 1 82 - 1 - HB3 PRO 14 - HB3 ARG 84 lone 1 62 - 1 - HB3 ARG 27 - HB3 ARG 82 lone 1 70 - 1 - HB2 ARG 27 - HB3 ARG 82 lone 1 68 - 1 - HB3 ARG 27 - HB3 ARG 84 lone 1 51 - 1 - HB ILE 68 - HB3 ARG 84 lone 1 46 - 1 - HB2 ARG 27 - HB3 ARG 84 lone 1 49 - 1 - HB2 ARG 66 - HB3 ARG 84 lone 1 70 - 1 - HB3 ARG 71 - HB2 ARG 54 lone 1 36 - 2 - HB2 ARG 71 - HB2 ARG 54 lone 1 35 - 2 - HB2 ARG 26 - HB2 ARG 54 lone 0 50 - 1 - HB3 PRO 14 - HB2 ARG 54 lone 0 44 - 1 - HB3 ARG 26 - HB2 ARG 54 lone 0 49 - 1 - HB3 ARG 23 - HB3 ARG 84 lone 0 40 - 1 - HB2 ARG 23 - HB3 ARG 84 lone 0 38 - 1 - HB ILE 68 - HB2 ARG 54 lone 0 32 - 1 - HB2 ARG 66 - HB2 ARG 54 lone 0 51 - 1 - HB3 ARG 23 - HB2 ARG 54 lone 0 28 - 1 - HB2 ARG 23 - HB2 ARG 54 lone 0 27 - 1 - HB2 GLN 91 - HB3 ARG 82 lone 0 63 - 0 - HB2 MET 11 - HB3 ARG 82 lone 0 85 - 0 - HB3 ARG 23 - HB2 LYS 32 lone 0 37 - 1 - HB3 ARG 23 - HB3 LYS 32 lone 0 37 - 1 - HB3 ARG 27 - HB2 ARG 54 lone 0 36 - 1 - HB2 ARG 23 - HB3 LYS 32 lone 0 35 - 1 - HB2 ARG 23 - HB2 LYS 32 lone 0 35 - 1 - HB2 ARG 27 - HB2 ARG 54 lone 0 35 - 1 - HB2 MET 11 - HB3 LYS 32 lone 0 59 - 0 - HB2 MET 11 - HB2 LYS 32 lone 0 59 - 0 - HB2 MET 11 - HB3 ARG 84 lone 0 64 - 0 - HB2 MET 11 - HB2 ARG 54 lone 0 46 - 0 - HB2 GLN 91 - HB3 ARG 84 lone 0 46 - 0 - HB2 GLN 91 - HB2 LYS 32 lone 0 42 - 0 - HB2 GLN 91 - HB3 LYS 32 lone 0 42 - 0 - HB2 GLN 91 - HB2 ARG 54 lone 0 32 - 0 - Peak 1710 from cnoeabs.peaks (1.76, 1.78, 30.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ARG 82 + HB3 ARG 82 OK 89 89 - 100 HB2 PRO 34 + HB2 PRO 34 OK 83 83 - 100 HB2 LYS 32 + HB2 LYS 32 OK 55 55 - 100 HB3 LYS 32 + HB3 LYS 32 OK 55 55 - 100 HB2 ARG 54 + HB2 ARG 54 OK 50 50 - 100 Reference assignment not found: HG2 PRO 34 - HB2 PRO 34 Peak 1711 from cnoeabs.peaks (1.04, 1.78, 30.55 ppm; 4.31 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 34 + HB2 PRO 34 OK 100 100 - 100 - 2.3=100 QD1 ILE 40 + HB2 PRO 34 OK 71 95 - 75 - 1725/2.3=15, 1690/3.0=13...(17) HG3 PRO 34 - HB2 LYS 32 OK 31 65 - 48 - 2.3/1713=4, 1729=3...(26) HG3 PRO 34 - HB3 LYS 32 OK 31 65 - 48 - 2.3/1713=4, 1729=3...(26) HG3 PRO 34 - HB2 ARG 54 OK 15 51 - 28 - ~2317=2, 5565/4247=2...(13) HG3 PRO 34 - HB3 ARG 82 OK 12 91 - 13 - 2.3/1713=1, 2.3/5568=1...(4) QD1 ILE 40 - HB2 ARG 54 poor 6 44 - 13 - 1957/4.7=2, 4.9/130=2...(5) QD1 ILE 40 - HB3 LYS 32 lone 5 57 - 9 - 4300/1660=1 QD1 ILE 40 - HB2 LYS 32 lone 5 57 - 9 - 4300/1660=1 HG3 PRO 34 - HB3 ARG 84 lone 4 70 - 5 - QD1 ILE 40 - HB3 ARG 82 lone 3 82 - 3 - QD1 ILE 40 - HB3 ARG 84 lone 2 62 - 3 - Peak 1713 from cnoeabs.peaks (3.54, 1.78, 30.55 ppm; 4.87 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 34 + HB2 PRO 34 OK 100 100 - 100 - 3.0=100 HD3 PRO 36 + HB2 PRO 34 OK 58 68 - 85 - 1734/2.3=15, 1727/2.3=15...(26) HD3 PRO 34 - HB2 LYS 32 OK 37 65 - 58 - 4.8/97=6, 1.8/5568=5...(26) HD3 PRO 34 - HB3 LYS 32 OK 37 65 - 58 - 4.8/97=6, 1.8/5568=5...(26) HD3 PRO 34 - HB2 ARG 54 OK 16 51 - 32 - ~2317=3, 3.8/1646=2...(13) HD3 PRO 34 - HB3 ARG 82 OK 14 91 - 15 - 1.8/5568=2, 2.3/1711=2...(4) HD3 PRO 36 - HB3 LYS 32 poor 7 37 - 19 - 5555/4.3=9, 4.8/5561=2 HD3 PRO 36 - HB2 LYS 32 poor 7 37 - 19 - 5555/4.3=9, 4.8/5561=2 HD3 PRO 36 - HB2 ARG 54 poor 6 28 - 22 - ~4569=3, ~4261=3...(9) HD3 PRO 34 - HB3 ARG 84 lone 4 70 - 6 - HD3 PRO 36 - HB3 ARG 82 lone 2 56 - 4 - 4.8/5561=1 HD3 PRO 36 - HB3 ARG 84 lone 1 40 - 4 - Peak 1714 from cnoeabs.peaks (4.32, 1.87, 30.55 ppm; 3.58 A): 1 out of 24 assignments used, quality = 1.00: * HA PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 2.3=100 HA LEU 86 - HB3 PRO 34 OK 14 93 - 15 - 1721/2.3=3, 1707/1.8=2...(6) HA GLU 87 - HB3 PRO 34 OK 12 100 - 12 - 1721/2.3=2, 1707/1.8=2...(6) HA PRO 34 - HB3 ARG 71 OK 12 52 - 23 - 1702=3, 1702/1.8=3...(9) HA PRO 34 - HB2 ARG 71 OK 11 51 - 22 - 1702=3, 1702/1.8=3...(9) HA ALA 16 - HB3 PRO 34 OK 11 99 - 11 - 1721/2.3=2, 1707/1.8=2...(6) HA GLU 87 - HB2 GLN 91 OK 10 71 - 15 - 3557/1.8=3, ~3661=1...(6) HA PRO 34 - HB3 ARG 27 lone 4 48 - 9 - 1702=1, 1702/1.8=1 HA PRO 34 - HB2 ARG 27 lone 4 47 - 9 - 1702=1, 1702/1.8=1 HA PRO 34 - HB2 GLN 91 lone 3 71 - 4 - HA LEU 86 - HB3 ARG 71 lone 2 44 - 4 - HA LEU 86 - HB2 ARG 71 lone 2 43 - 4 - HA ALA 16 - HB3 ARG 71 lone 1 51 - 2 - 3.6/485=1 HA ALA 16 - HB2 ARG 71 lone 1 49 - 2 - 3.6/485=1 HA GLU 87 - HB3 ARG 71 lone 1 52 - 2 - HA LEU 86 - HB2 GLN 91 lone 1 61 - 2 - HA GLU 87 - HB2 ARG 71 lone 1 51 - 2 - HA LEU 86 - HB3 ARG 27 lone 1 41 - 2 - HA LEU 86 - HB2 ARG 27 lone 1 39 - 2 - HA ALA 16 - HB3 ARG 27 lone 1 47 - 2 - HA GLU 87 - HB3 ARG 27 lone 1 48 - 2 - HA ALA 16 - HB2 ARG 27 lone 1 45 - 2 - HA GLU 87 - HB2 ARG 27 lone 1 47 - 2 - HA ALA 16 - HB2 GLN 91 lone 1 69 - 1 - Peak 1715 from cnoeabs.peaks (1.78, 1.87, 30.55 ppm; 2.42 A): 2 out of 102 assignments used, quality = 1.00: * HB2 PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 1.8=100 HG2 PRO 34 + HB3 PRO 34 OK 83 83 - 100 - 2.3=100 HB ILE 33 - HB3 PRO 34 OK 42 97 - 44 - 5547/4.0=4, ~4215=4...(23) HG3 ARG 71 - HB3 ARG 71 OK 19 26 - 71 - 2.8=64, 2928/4.0=3...(6) HG3 ARG 71 - HB2 ARG 71 OK 18 25 - 71 - 2.8=64, 2928/4.0=3...(6) HB2 LEU 57 - HB3 PRO 34 OK 17 95 - 18 - ~4603=3, ~4605=2...(8) HB2 LYS 32 - HB3 PRO 34 OK 14 99 - 15 - 1701/2.3=1, 1729/2.3=1 HB3 LYS 32 - HB3 PRO 34 OK 14 99 - 15 - 1701/2.3=1, 1729/2.3=1 HB3 LYS 39 - HB3 PRO 34 OK 13 100 - 13 - 1854=1 HB2 ARG 54 - HB3 PRO 34 lone 7 93 - 8 - HB2 PRO 34 - HB3 ARG 71 poor 7 52 - 13 - 2.3/1702=1, 2.3/1723=1 HB2 PRO 34 - HB2 ARG 71 poor 6 51 - 13 - 2.3/1723=1, 2.3/1702=1 HG3 ARG 71 - HB3 PRO 34 lone 5 63 - 7 - HG2 PRO 34 - HB3 ARG 71 poor 4 37 - 12 - 1723=1, 1723/1.8=1 HG2 PRO 34 - HB2 ARG 71 poor 4 36 - 11 - 1723/1.8=1, 1723=1 HB3 LYS 32 - HB3 ARG 71 lone 3 51 - 6 - HB2 LYS 32 - HB3 ARG 71 lone 3 51 - 6 - HB3 ARG 82 - HB3 PRO 34 lone 3 93 - 3 - HB2 LYS 32 - HB2 ARG 71 lone 3 49 - 6 - HB3 LYS 32 - HB2 ARG 71 lone 3 49 - 6 - HB2 PRO 34 - HB3 ARG 27 lone 2 48 - 5 - HB2 PRO 34 - HB2 ARG 27 lone 2 47 - 5 - HG3 ARG 71 - HB3 ARG 27 lone 2 24 - 9 - HG3 ARG 71 - HB2 ARG 27 lone 2 23 - 9 - HB3 LYS 73 - HB3 ARG 71 lone 2 52 - 4 - HB3 LYS 75 - HB3 ARG 71 lone 2 50 - 4 - HB3 LYS 73 - HB2 ARG 71 lone 2 50 - 4 - HB3 LYS 39 - HB3 ARG 71 lone 2 52 - 4 - HB3 LYS 75 - HB2 ARG 71 lone 2 48 - 4 - HB3 LYS 39 - HB2 ARG 71 lone 2 50 - 4 - HB2 LYS 13 - HB3 PRO 34 lone 2 97 - 2 - HB3 LYS 73 - HB3 PRO 34 lone 2 100 - 1 - HG2 PRO 34 - HB3 ARG 27 lone 1 34 - 4 - HG2 PRO 34 - HB2 ARG 27 lone 1 33 - 4 - HB3 LYS 39 - HB3 ARG 27 lone 1 48 - 3 - HB3 LYS 39 - HB2 ARG 27 lone 1 46 - 3 - HB3 LYS 75 - HB3 PRO 34 lone 1 99 - 1 - HB2 PRO 34 - HB2 GLN 91 lone 1 71 - 2 - HB2 ARG 69 - HB3 PRO 34 lone 1 76 - 1 - HB3 ARG 84 - HB3 PRO 34 lone 1 76 - 1 - HB ILE 33 - HB3 ARG 71 lone 1 47 - 2 - HB2 LYS 83 - HB3 PRO 34 lone 1 100 - 1 - HB ILE 33 - HB3 ARG 27 lone 1 43 - 2 - HB ILE 33 - HB2 ARG 71 lone 1 46 - 2 - HB3 LYS 32 - HB3 ARG 27 lone 1 47 - 2 - HB2 LYS 32 - HB3 ARG 27 lone 1 47 - 2 - HB3 LYS 75 - HB3 ARG 27 lone 1 46 - 2 - HB3 ARG 84 - HB3 ARG 71 lone 1 33 - 2 - HB3 LYS 32 - HB2 ARG 27 lone 1 45 - 2 - HB2 LYS 32 - HB2 ARG 27 lone 1 45 - 2 - HB ILE 33 - HB2 ARG 27 lone 1 42 - 2 - HB3 LYS 75 - HB2 ARG 27 lone 1 44 - 2 - HB3 ARG 84 - HB2 ARG 71 lone 1 32 - 2 - HG2 PRO 34 - HB2 GLN 91 lone 1 52 - 1 - HB2 LYS 85 - HB3 PRO 34 lone 1 76 - 1 - HB2 ARG 69 - HB3 ARG 71 lone 0 33 - 1 - 2792/4.4=1 HB2 ARG 69 - HB2 ARG 71 lone 0 32 - 1 - 2792/4.4=1 HB3 ARG 82 - HB3 ARG 71 lone 0 44 - 1 - HB2 LEU 57 - HB3 ARG 27 lone 0 42 - 1 - HB3 ARG 82 - HB2 ARG 71 lone 0 43 - 1 - HB2 ARG 54 - HB3 ARG 71 lone 0 44 - 1 - HB2 LEU 57 - HB2 ARG 27 lone 0 40 - 1 - HB2 ARG 54 - HB2 ARG 71 lone 0 43 - 1 - HB3 LYS 73 - HB3 ARG 27 lone 0 48 - 1 - HB2 LEU 57 - HB3 ARG 71 lone 0 45 - 1 - HB2 LYS 83 - HB3 ARG 71 lone 0 52 - 1 - HB3 LYS 73 - HB2 ARG 27 lone 0 46 - 1 - HB2 LEU 57 - HB2 ARG 71 lone 0 44 - 1 - HB2 LYS 83 - HB2 ARG 71 lone 0 50 - 1 - HB2 LYS 13 - HB3 ARG 71 lone 0 48 - 1 - HB2 LYS 13 - HB2 ARG 71 lone 0 47 - 1 - HB2 LYS 85 - HB3 ARG 71 lone 0 33 - 1 - HB2 LYS 85 - HB2 ARG 71 lone 0 32 - 1 - HB2 LYS 13 - HB3 ARG 27 lone 0 44 - 1 - HB ILE 33 - HB2 GLN 91 lone 0 65 - 0 - HB2 LYS 13 - HB2 ARG 27 lone 0 43 - 1 - HB3 ARG 84 - HB3 ARG 27 lone 0 30 - 1 - HB3 ARG 84 - HB2 ARG 27 lone 0 29 - 1 - HB2 ARG 69 - HB2 GLN 91 lone 0 46 - 1 - HB3 ARG 82 - HB3 ARG 27 lone 0 41 - 1 - HB3 ARG 82 - HB2 ARG 27 lone 0 39 - 1 - HB2 LYS 83 - HB3 ARG 27 lone 0 48 - 0 - HB2 LYS 83 - HB2 ARG 27 lone 0 46 - 0 - HB2 LYS 13 - HB2 GLN 91 lone 0 66 - 0 - HB3 LYS 39 - HB2 GLN 91 lone 0 70 - 0 - HB2 ARG 54 - HB3 ARG 27 lone 0 41 - 0 - HB3 ARG 82 - HB2 GLN 91 lone 0 61 - 0 - HB2 ARG 54 - HB2 ARG 27 lone 0 39 - 0 - HB2 LYS 83 - HB2 GLN 91 lone 0 71 - 0 - HB3 LYS 73 - HB2 GLN 91 lone 0 71 - 0 - HB3 LYS 32 - HB2 GLN 91 lone 0 69 - 0 - HB2 LYS 32 - HB2 GLN 91 lone 0 69 - 0 - HB3 LYS 75 - HB2 GLN 91 lone 0 68 - 0 - HB2 LEU 57 - HB2 GLN 91 lone 0 62 - 0 - HB2 ARG 54 - HB2 GLN 91 lone 0 61 - 0 - HB2 LYS 85 - HB3 ARG 27 lone 0 30 - 0 - HB2 LYS 85 - HB2 ARG 27 lone 0 29 - 0 - HB3 ARG 84 - HB2 GLN 91 lone 0 46 - 0 - HB2 ARG 69 - HB3 ARG 27 lone 0 30 - 0 - HB2 ARG 69 - HB2 ARG 27 lone 0 29 - 0 - HB2 LYS 85 - HB2 GLN 91 lone 0 46 - 0 - HG3 ARG 71 - HB2 GLN 91 lone 0 37 - 0 - Peak 1716 from cnoeabs.peaks (1.87, 1.87, 30.55 ppm; diagonal): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 34 + HB3 PRO 34 OK 100 100 - 100 HB2 GLN 91 + HB2 GLN 91 OK 46 46 - 100 HB3 ARG 71 - HB3 ARG 71 OK 37 37 - 100 HB2 ARG 71 - HB2 ARG 71 OK 35 35 - 100 HB3 ARG 27 - HB3 ARG 27 OK 34 34 - 100 HB2 ARG 27 - HB2 ARG 27 OK 32 32 - 100 Peak 1717 from cnoeabs.peaks (1.76, 1.87, 30.55 ppm; 2.62 A): 3 out of 96 assignments used, quality = 1.00: * HG2 PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 2.3=100 HB2 PRO 34 + HB3 PRO 34 OK 83 83 - 100 - 1.8=100 HB ILE 33 + HB3 PRO 34 OK 51 98 - 52 - 5547/4.0=6, ~4215=5...(24) HG3 ARG 71 - HB3 ARG 71 OK 43 50 - 87 - 2.8=82, 2928/4.0=5...(8) HG3 ARG 71 - HB2 ARG 71 OK 42 48 - 87 - 2.8=82, 2928/4.0=5...(8) HB2 LEU 57 - HB3 PRO 34 OK 22 99 - 22 - ~4603=3, ~4605=3...(11) HB3 LYS 32 - HB3 PRO 34 OK 16 93 - 17 - 1703/2.3=1, 1731/2.3=1 HB2 LYS 32 - HB3 PRO 34 OK 16 93 - 17 - 1703/2.3=1, 1731/2.3=1 HG3 ARG 26 - HB3 ARG 71 OK 15 47 - 31 - 1394/2.8=3, 1391/3.0=3...(5) HG3 ARG 26 - HB2 ARG 71 OK 14 46 - 31 - 1394/2.8=3, 1391/3.0=3...(5) HB3 LYS 39 - HB3 PRO 34 OK 11 76 - 15 - 4.4/129=1, 2.9/1864=1 HG3 ARG 71 - HB3 PRO 34 OK 11 99 - 11 - HB2 ARG 54 - HB3 PRO 34 OK 11 99 - 11 - HG3 ARG 26 - HB3 ARG 27 poor 10 43 - 23 - 65/4.1=2, 1392=2...(5) HG3 ARG 26 - HB2 ARG 27 poor 9 42 - 23 - 65/4.1=2, 1392=2...(5) HG2 PRO 34 - HB3 ARG 71 poor 8 52 - 16 - 1723=2, 1723/1.8=2, 1.8/1730=1 HG2 PRO 34 - HB2 ARG 71 poor 8 51 - 16 - 1723=2, 1723/1.8=2, 1.8/1730=1 HG3 ARG 26 - HB3 PRO 34 lone 8 97 - 8 - 1392=1 HG3 ARG 71 - HB3 ARG 27 poor 7 46 - 14 - 65/4.1=1, 2930/1.8=1, 2931=1 HG3 ARG 71 - HB2 ARG 27 poor 6 44 - 15 - 65/4.1=1, 2930/1.8=1, 2931=1 HB3 ARG 17 - HB3 ARG 71 poor 6 42 - 15 - HB3 ARG 17 - HB2 ARG 71 poor 6 41 - 15 - HB2 PRO 34 - HB3 ARG 71 poor 6 37 - 16 - 2.3/1723=1, 2.3/1702=1 HB2 PRO 34 - HB2 ARG 71 poor 6 36 - 16 - 2.3/1723=1, 2.3/1702=1 HB3 ARG 82 - HB3 PRO 34 lone 3 99 - 3 - HB3 LYS 32 - HB3 ARG 71 lone 3 44 - 8 - HB2 LYS 32 - HB3 ARG 71 lone 3 44 - 8 - HB3 LYS 32 - HB2 ARG 71 lone 3 43 - 8 - HB2 LYS 32 - HB2 ARG 71 lone 3 43 - 8 - HG2 PRO 34 - HB3 ARG 27 lone 3 48 - 6 - HB2 LEU 62 - HB3 PRO 34 lone 3 95 - 3 - HG2 PRO 34 - HB2 ARG 27 lone 3 47 - 6 - HB3 ARG 17 - HB3 ARG 27 lone 3 39 - 8 - HB3 ARG 17 - HB2 ARG 27 lone 3 37 - 8 - HB2 LEU 62 - HB3 ARG 71 lone 3 45 - 6 - HB2 LEU 62 - HB2 ARG 71 lone 2 44 - 6 - HB2 PRO 34 - HB3 ARG 27 lone 2 34 - 6 - HB3 LYS 73 - HB3 ARG 71 lone 2 40 - 5 - 5841/4.4=1 HB2 PRO 34 - HB2 ARG 27 lone 2 33 - 6 - HB3 LYS 73 - HB2 ARG 71 lone 2 38 - 5 - 5841/4.4=1 HB3 LYS 73 - HB3 PRO 34 lone 1 87 - 2 - HG3 ARG 26 - HB2 GLN 91 lone 1 65 - 2 - HB3 LYS 39 - HB3 ARG 71 lone 1 33 - 4 - HB3 LYS 39 - HB2 ARG 71 lone 1 32 - 4 - HB3 LYS 75 - HB3 ARG 71 lone 1 26 - 4 - HG2 PRO 34 - HB2 GLN 91 lone 1 71 - 2 - HB3 LYS 75 - HB2 ARG 71 lone 1 25 - 4 - HB ILE 33 - HB3 ARG 71 lone 1 49 - 2 - HB ILE 33 - HB2 ARG 71 lone 1 47 - 2 - HB2 PRO 34 - HB2 GLN 91 lone 1 52 - 2 - HB ILE 33 - HB3 ARG 27 lone 1 45 - 2 - HB3 LYS 39 - HB3 ARG 27 lone 1 30 - 3 - HB ILE 33 - HB2 ARG 27 lone 1 43 - 2 - HB3 LYS 39 - HB2 ARG 27 lone 1 29 - 3 - HB2 LYS 32 - HB3 ARG 27 lone 1 41 - 2 - HB3 LYS 32 - HB3 ARG 27 lone 1 41 - 2 - HB3 LYS 32 - HB2 ARG 27 lone 1 39 - 2 - HB2 LYS 32 - HB2 ARG 27 lone 1 39 - 2 - HB3 ARG 17 - HB3 PRO 34 lone 1 90 - 1 - HB3 ARG 82 - HB3 ARG 71 lone 1 51 - 1 - HB3 ARG 82 - HB2 ARG 71 lone 1 49 - 1 - HB2 ARG 54 - HB3 ARG 71 lone 1 51 - 1 - HB2 ARG 54 - HB2 ARG 71 lone 1 49 - 1 - HB3 LYS 75 - HB3 PRO 34 lone 1 63 - 1 - HB2 LEU 57 - HB3 ARG 71 lone 1 50 - 1 - HB2 LEU 57 - HB2 ARG 71 lone 1 49 - 1 - HB2 LEU 57 - HB3 ARG 27 lone 1 46 - 1 - HB2 LYS 83 - HB3 PRO 34 lone 1 78 - 1 - HB2 LEU 57 - HB2 ARG 27 lone 1 45 - 1 - HB2 LEU 62 - HB3 ARG 27 lone 0 42 - 1 - HB2 LEU 62 - HB2 ARG 27 lone 0 40 - 1 - HB3 ARG 82 - HB3 ARG 27 lone 0 47 - 1 - HB ILE 33 - HB2 GLN 91 lone 0 67 - 1 - HB3 ARG 82 - HB2 ARG 27 lone 0 45 - 1 - HB3 LYS 75 - HB3 ARG 27 lone 0 24 - 2 - HB3 LYS 75 - HB2 ARG 27 lone 0 23 - 2 - HB3 LYS 73 - HB3 ARG 27 lone 0 36 - 1 - HB2 ARG 54 - HB3 ARG 27 lone 0 47 - 1 - HB3 LYS 73 - HB2 ARG 27 lone 0 35 - 1 - HB2 ARG 54 - HB2 ARG 27 lone 0 45 - 1 - HB3 ARG 82 - HB2 GLN 91 lone 0 69 - 0 - HB2 LYS 83 - HB3 ARG 71 lone 0 35 - 1 - HG3 ARG 71 - HB2 GLN 91 lone 0 68 - 0 - HB2 LYS 83 - HB2 ARG 71 lone 0 33 - 1 - HB2 LEU 62 - HB2 GLN 91 lone 0 62 - 0 - HB2 ARG 54 - HB2 GLN 91 lone 0 69 - 0 - HB2 LEU 57 - HB2 GLN 91 lone 0 68 - 0 - HB3 ARG 17 - HB2 GLN 91 lone 0 58 - 0 - HB2 LYS 32 - HB2 GLN 91 lone 0 61 - 0 - HB3 LYS 32 - HB2 GLN 91 lone 0 61 - 0 - HB3 LYS 73 - HB2 GLN 91 lone 0 55 - 0 - HB2 LYS 83 - HB3 ARG 27 lone 0 32 - 1 - HB2 LYS 83 - HB2 GLN 91 lone 0 48 - 0 - HB2 LYS 83 - HB2 ARG 27 lone 0 30 - 1 - HB3 LYS 39 - HB2 GLN 91 lone 0 46 - 0 - HB3 LYS 75 - HB2 GLN 91 lone 0 37 - 0 - Peak 1718 from cnoeabs.peaks (1.04, 1.87, 30.55 ppm; 4.31 A): 2 out of 12 assignments used, quality = 1.00: * HG3 PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 2.3=100 QD1 ILE 40 + HB3 PRO 34 OK 69 95 - 73 - 1725/2.3=15, 1690/3.0=13...(17) HG3 PRO 34 - HB3 ARG 71 OK 23 52 - 44 - 1730=5, 1.8/1723=4...(16) HG3 PRO 34 - HB2 ARG 71 OK 22 51 - 44 - 1730=5, 1.8/1723=4...(16) HG3 PRO 34 - HB3 ARG 27 poor 9 48 - 19 - 1730=2, 1.8/1723=2...(6) HG3 PRO 34 - HB2 ARG 27 poor 9 47 - 19 - 1730=2, 1730/1.8=2...(6) HG3 PRO 34 - HB2 GLN 91 lone 4 71 - 5 - QD1 ILE 40 - HB3 ARG 71 lone 3 45 - 6 - 5247/5974=1 QD1 ILE 40 - HB2 ARG 71 lone 3 44 - 6 - 5247/5974=1 QD1 ILE 40 - HB2 GLN 91 lone 2 62 - 3 - QD1 ILE 40 - HB3 ARG 27 lone 1 42 - 3 - QD1 ILE 40 - HB2 ARG 27 lone 1 40 - 3 - Peak 1719 from cnoeabs.peaks (2.72, 1.87, 30.55 ppm; 5.63 A): 1 out of 18 assignments used, quality = 1.00: * HD2 PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 3.0=100 HB2 ASN 80 - HB3 PRO 34 OK 38 83 - 46 - 1733/2.3=9, 1726/2.3=9...(10) HD2 PRO 34 - HB3 ARG 71 OK 29 52 - 56 - 1688=5, 1.8/1720=5...(21) HD2 PRO 34 - HB2 ARG 71 OK 28 51 - 56 - 1688=5, 1.8/1720=5...(21) HB2 ASP 46 - HB3 PRO 34 OK 17 73 - 22 - 1705/2.3=4, 1733/2.3=4...(8) HD2 PRO 34 - HB3 ARG 27 OK 13 48 - 26 - 1688=2, 1688/1.8=2...(12) HD2 PRO 34 - HB2 ARG 27 OK 12 47 - 26 - 1688=2, 1688/1.8=2...(12) HD2 PRO 34 - HB2 GLN 91 lone 6 71 - 8 - HB2 ASN 80 - HB2 GLN 91 lone 2 52 - 3 - HB2 ASN 80 - HB3 ARG 71 lone 2 37 - 4 - HB2 ASN 80 - HB2 ARG 71 lone 1 36 - 4 - HB2 ASP 46 - HB3 ARG 27 lone 1 29 - 5 - HB2 ASP 46 - HB2 ARG 27 lone 1 28 - 5 - HB2 ASP 46 - HB3 ARG 71 lone 1 32 - 4 - HB2 ASP 46 - HB2 ARG 71 lone 1 31 - 4 - HB2 ASP 46 - HB2 GLN 91 lone 1 45 - 2 - HB2 ASN 80 - HB3 ARG 27 lone 1 34 - 3 - HB2 ASN 80 - HB2 ARG 27 lone 1 33 - 3 - Peak 1720 from cnoeabs.peaks (3.54, 1.87, 30.55 ppm; 4.50 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 34 + HB3 PRO 34 OK 100 100 - 100 - 3.0=100 HD3 PRO 36 + HB3 PRO 34 OK 54 68 - 80 - 1727/2.3=14, 1734/2.3=14...(26) HD3 PRO 34 - HB3 ARG 71 OK 22 52 - 43 - 1695=4, 2.3/1723=4...(16) HD3 PRO 34 - HB2 ARG 71 OK 22 51 - 43 - 1695=4, 2.3/1723=4...(16) HD3 PRO 34 - HB3 ARG 27 poor 9 48 - 18 - 1695=2, 2.3/1723=2...(9) HD3 PRO 34 - HB2 ARG 27 poor 9 47 - 18 - 1695=2, 2.3/1723=2...(10) HD3 PRO 34 - HB2 GLN 91 lone 4 71 - 5 - HD3 PRO 36 - HB3 ARG 71 lone 2 29 - 6 - 4.8/5562=1 HD3 PRO 36 - HB2 ARG 71 lone 2 28 - 5 - 4.8/5562=1 HD3 PRO 36 - HB3 ARG 27 lone 1 27 - 4 - HD3 PRO 36 - HB2 GLN 91 lone 1 41 - 2 - HD3 PRO 36 - HB2 ARG 27 lone 1 26 - 3 - Peak 1721 from cnoeabs.peaks (4.32, 1.76, 26.58 ppm; 4.94 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 34 + HG2 PRO 34 OK 100 100 - 100 - 3.8=100 HA LEU 86 - HG2 PRO 34 OK 24 93 - 25 - 1728/1.8=5, 5558/2.3=5...(6) HA GLU 87 - HG2 PRO 34 OK 20 100 - 20 - 1728/1.8=5, 5558/2.3=4...(5) HA ALA 16 - HG2 PRO 34 OK 19 99 - 19 - 1728/1.8=4, 5558/2.3=4...(5) Peak 1722 from cnoeabs.peaks (1.78, 1.76, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: HG2 PRO 34 + HG2 PRO 34 OK 83 83 - 100 Reference assignment not found: HB2 PRO 34 - HG2 PRO 34 Peak 1723 from cnoeabs.peaks (1.87, 1.76, 26.58 ppm; 3.64 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 34 + HG2 PRO 34 OK 100 100 - 100 - 2.3=100 HB2 LYS 39 - HG2 PRO 34 OK 28 85 - 34 - 5940/4242=3, 1730/1.8=3...(15) HB3 ARG 71 - HG2 PRO 34 OK 26 83 - 32 - 1730/1.8=3, 1720/2.3=2...(13) HB2 ARG 71 - HG2 PRO 34 OK 26 81 - 32 - 1730/1.8=3, 1720/2.3=2...(13) HB2 ARG 26 - HG2 PRO 34 OK 25 99 - 25 - 1730/1.8=2, ~1730=2...(9) HB3 ARG 26 - HG2 PRO 34 OK 24 99 - 25 - 1730/1.8=2, ~1730=2...(9) HB ILE 68 - HG2 PRO 34 OK 18 76 - 23 - ~5249=5, 5246/1.8=4...(8) HB3 PRO 14 - HG2 PRO 34 OK 12 95 - 13 - 1730/1.8=1, ~6058=1 HB3 ARG 27 - HG2 PRO 34 OK 11 83 - 13 - 1730/1.8=1 HB2 ARG 27 - HG2 PRO 34 OK 11 81 - 13 - 1730/1.8=1 HB2 ARG 66 - HG2 PRO 34 lone 6 100 - 6 - HB2 MET 11 - HG2 PRO 34 lone 4 97 - 4 - HB2 GLN 91 - HG2 PRO 34 lone 3 76 - 4 - HB3 ARG 23 - HG2 PRO 34 lone 2 68 - 3 - HB2 ARG 23 - HG2 PRO 34 lone 2 65 - 3 - Peak 1724 from cnoeabs.peaks (1.76, 1.76, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 34 + HG2 PRO 34 OK 100 100 - 100 Peak 1725 from cnoeabs.peaks (1.04, 1.76, 26.58 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HG2 PRO 34 OK 100 100 - 100 - 1.8=100 QD1 ILE 40 + HG2 PRO 34 OK 46 95 - 48 - 1690/2.3=7, ~1949=6...(15) Peak 1726 from cnoeabs.peaks (2.72, 1.76, 26.58 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 34 + HG2 PRO 34 OK 100 100 - 100 - 2.3=100 HB2 ASN 80 - HG2 PRO 34 OK 24 83 - 29 - 1733/1.8=7, 1698/2.3=5...(10) HB2 ASP 46 - HG2 PRO 34 poor 10 73 - 13 - 1733/1.8=3, 1698/2.3=2...(5) Peak 1727 from cnoeabs.peaks (3.54, 1.76, 26.58 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG2 PRO 34 OK 100 100 - 100 - 2.3=100 HD3 PRO 36 + HG2 PRO 34 OK 51 68 - 75 - 1692/2.3=13, 1734/1.8=12...(29) Peak 1728 from cnoeabs.peaks (4.32, 1.04, 26.58 ppm; 5.39 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 3.8=100 HA LEU 86 - HG3 PRO 34 OK 26 93 - 28 - 1721/1.8=7, 5558/2.3=6...(6) HA GLU 87 - HG3 PRO 34 OK 23 100 - 23 - 1721/1.8=6, 5558/2.3=5...(5) HA ALA 16 - HG3 PRO 34 OK 21 99 - 21 - 1721/1.8=5, 5558/2.3=5...(5) Peak 1729 from cnoeabs.peaks (1.78, 1.04, 26.58 ppm; 3.32 A): 3 out of 17 assignments used, quality = 1.00: * HB2 PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 2.3=100 HG2 PRO 34 + HG3 PRO 34 OK 83 83 - 100 - 1.8=100 HB ILE 33 + HG3 PRO 34 OK 75 97 - 78 - ~4215=13, ~4214=12...(29) HB2 LEU 57 - HG3 PRO 34 OK 42 95 - 44 - ~4603=8, 3.1/5352=8...(14) HB2 LYS 32 - HG3 PRO 34 OK 31 99 - 31 - 1711=2, 1.8/1711=2...(12) HB3 LYS 32 - HG3 PRO 34 OK 31 99 - 31 - 1711=2, 1.8/1711=2...(12) HB3 LYS 39 - HG3 PRO 34 OK 25 100 - 25 - 4.4/607=5, 1.8/1730=2...(12) HB2 ARG 54 - HG3 PRO 34 OK 19 93 - 20 - 5707/4243=3, 4561/5565=2...(7) HG3 ARG 71 - HG3 PRO 34 OK 12 63 - 19 - 2.8/1730=2, 2.8/1730=2, ~1723=1 HB3 ARG 82 - HG3 PRO 34 lone 7 93 - 8 - HB2 ARG 69 - HG3 PRO 34 lone 4 76 - 5 - HB3 LYS 73 - HG3 PRO 34 lone 4 100 - 4 - HB2 LYS 13 - HG3 PRO 34 lone 3 97 - 3 - HB3 LYS 75 - HG3 PRO 34 lone 3 99 - 3 - HB3 ARG 84 - HG3 PRO 34 lone 2 76 - 3 - HB2 LYS 83 - HG3 PRO 34 lone 1 100 - 1 - HB2 LYS 85 - HG3 PRO 34 lone 1 76 - 1 - Peak 1730 from cnoeabs.peaks (1.87, 1.04, 26.58 ppm; 4.16 A): 1 out of 15 assignments used, quality = 1.00: * HB3 PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 2.3=100 HB2 LYS 39 - HG3 PRO 34 OK 37 85 - 43 - 4.4/607=8, 5940/4243=5...(20) HB3 ARG 71 - HG3 PRO 34 OK 34 83 - 42 - 1718=4, 1723/1.8=4...(15) HB2 ARG 71 - HG3 PRO 34 OK 33 81 - 42 - 1718=4, 1723/1.8=4...(15) HB2 ARG 26 - HG3 PRO 34 OK 30 99 - 30 - 1723/1.8=4, ~1723=3...(10) HB3 ARG 26 - HG3 PRO 34 OK 30 99 - 30 - 1723/1.8=4, ~1723=3...(10) HB ILE 68 - HG3 PRO 34 OK 28 76 - 37 - 2.1/5249=8, 3.2/5247=7...(14) HB3 PRO 14 - HG3 PRO 34 OK 17 95 - 18 - 1723/1.8=2, ~6058=2...(10) HB3 ARG 27 - HG3 PRO 34 OK 15 83 - 18 - 1718=2, 1723/1.8=2...(6) HB2 ARG 27 - HG3 PRO 34 OK 14 81 - 18 - 1718=2, 1723/1.8=2...(6) HB2 ARG 66 - HG3 PRO 34 lone 8 100 - 8 - HB2 MET 11 - HG3 PRO 34 lone 6 97 - 6 - HB2 GLN 91 - HG3 PRO 34 lone 4 76 - 5 - HB3 ARG 23 - HG3 PRO 34 lone 3 68 - 4 - HB2 ARG 23 - HG3 PRO 34 lone 3 65 - 4 - Peak 1731 from cnoeabs.peaks (1.76, 1.04, 26.58 ppm; 3.05 A): 3 out of 16 assignments used, quality = 1.00: * HG2 PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 1.8=100 HB2 PRO 34 + HG3 PRO 34 OK 83 83 - 100 - 2.3=100 HB ILE 33 + HG3 PRO 34 OK 69 98 - 71 - ~4215=10, ~4214=10...(29) HB2 LEU 57 - HG3 PRO 34 OK 38 99 - 39 - 3.1/5352=7, ~4603=6...(14) HB2 LYS 32 - HG3 PRO 34 OK 24 93 - 25 - 1.8/1711=2, 1711=2...(8) HB3 LYS 32 - HG3 PRO 34 OK 24 93 - 25 - 1.8/1711=2, 1711=2...(8) HB2 ARG 54 - HG3 PRO 34 OK 17 99 - 18 - 5707/4243=2, 4561/5565=2...(4) HG3 ARG 71 - HG3 PRO 34 OK 17 99 - 17 - 2.8/1730=2, 2.8/1730=2...(4) HB3 LYS 39 - HG3 PRO 34 OK 15 76 - 20 - 4.4/607=4, 1.8/1730=2...(4) HG3 ARG 26 - HG3 PRO 34 OK 12 97 - 13 - 3.0/1730=1, 3.0/1730=1 HB3 ARG 82 - HG3 PRO 34 lone 6 99 - 6 - HB2 LEU 62 - HG3 PRO 34 lone 5 95 - 6 - HB3 LYS 73 - HG3 PRO 34 lone 2 87 - 3 - HB3 ARG 17 - HG3 PRO 34 lone 1 90 - 1 - HB3 LYS 75 - HG3 PRO 34 lone 1 63 - 2 - HB2 LYS 83 - HG3 PRO 34 lone 1 78 - 1 - Peak 1732 from cnoeabs.peaks (1.04, 1.04, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 34 + HG3 PRO 34 OK 100 100 - 100 Peak 1733 from cnoeabs.peaks (2.72, 1.04, 26.58 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 2.3=100 HB2 ASN 80 - HG3 PRO 34 OK 25 83 - 31 - 1726/1.8=7, 1698/2.3=5...(10) HB2 ASP 46 - HG3 PRO 34 OK 11 73 - 14 - 1726/1.8=3, 1698/2.3=2...(5) Peak 1734 from cnoeabs.peaks (3.54, 1.04, 26.58 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG3 PRO 34 OK 100 100 - 100 - 2.3=100 HD3 PRO 36 + HG3 PRO 34 OK 56 68 - 82 - 4.8/5564=16, 1692/2.3=14...(32) Peak 1735 from cnoeabs.peaks (6.31, 4.99, 52.48 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HA PHE 35 OK 100 100 - 100 - 3.0=100 Peak 1736 from cnoeabs.peaks (4.99, 4.99, 52.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + HA PHE 35 OK 100 100 - 100 Peak 1737 from cnoeabs.peaks (2.85, 4.99, 52.48 ppm; 3.31 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 35 + HA PHE 35 OK 100 100 - 100 - 3.0=100 HB3 ASP 67 - HA PHE 35 OK 29 93 - 31 - 1.8/1738=7, 1749/3.0=6...(10) HB3 PHE 48 - HA PHE 35 OK 17 63 - 27 - 1742=6, 1746/3.7=3...(12) Peak 1738 from cnoeabs.peaks (2.91, 4.99, 52.48 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 35 + HA PHE 35 OK 100 100 - 100 - 3.0=100 HB2 ASP 67 - HA PHE 35 OK 28 93 - 30 - 1.8/1737=7, 2737/3.0=7...(9) HB3 TYR 55 - HA PHE 35 OK 17 63 - 27 - 5716/3.7=10, 1744/3.0=4...(10) HB2 ASN 49 - HA PHE 35 lone 6 93 - 6 - Peak 1741 from cnoeabs.peaks (6.31, 2.85, 38.77 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 35 + HB2 PHE 35 OK 100 100 - 100 - 4.0=100 H PHE 35 - HB3 PHE 48 OK 19 61 - 31 - 3.0/1742=7, 4.5/1746=6...(8) Peak 1742 from cnoeabs.peaks (4.99, 2.85, 38.77 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 35 + HB2 PHE 35 OK 100 100 - 100 - 3.0=100 HA PHE 35 - HB3 PHE 48 OK 18 61 - 29 - 1737=6, 3.7/1746=4...(13) Peak 1743 from cnoeabs.peaks (2.85, 2.85, 38.77 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 35 + HB2 PHE 35 OK 100 100 - 100 HB3 PHE 48 - HB3 PHE 48 OK 31 31 - 100 Peak 1744 from cnoeabs.peaks (2.91, 2.85, 38.77 ppm; 2.75 A): 1 out of 8 assignments used, quality = 1.00: * HB3 PHE 35 + HB2 PHE 35 OK 100 100 - 100 - 1.8=100 HB2 ASP 67 - HB2 PHE 35 OK 30 93 - 32 - 2737=10, 4537/2.6=4...(12) HB3 TYR 55 - HB2 PHE 35 OK 23 63 - 37 - 5716/2.6=8, ~4601=7...(14) HB3 PHE 35 - HB3 PHE 48 OK 14 61 - 23 - 2.6/1746=3, 3.0/1742=2...(10) HB2 ASN 49 - HB3 PHE 48 poor 9 52 - 17 - 2167/4.3=7, ~4492=5...(6) HB2 ASN 49 - HB2 PHE 35 lone 5 93 - 5 - HB2 ASP 67 - HB3 PHE 48 lone 2 52 - 4 - 647/4.3=1 HB3 TYR 55 - HB3 PHE 48 lone 0 31 - 1 - Peak 1746 from cnoeabs.peaks (6.65, 2.85, 38.77 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 35 + HB2 PHE 35 OK 100 100 - 100 - 2.6=100 QD PHE 35 - HB3 PHE 48 OK 23 61 - 37 - ~4550=4, 1755=4...(16) Peak 1747 from cnoeabs.peaks (6.31, 2.91, 38.77 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HB3 PHE 35 OK 100 100 - 100 - 4.0=100 Peak 1748 from cnoeabs.peaks (4.99, 2.91, 38.77 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + HB3 PHE 35 OK 100 100 - 100 - 3.0=100 Peak 1749 from cnoeabs.peaks (2.85, 2.91, 38.77 ppm; 2.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 35 + HB3 PHE 35 OK 100 100 - 100 - 1.8=100 HB3 ASP 67 - HB3 PHE 35 OK 29 93 - 31 - 2740=8, 4536/2.6=4...(13) HB3 PHE 48 - HB3 PHE 35 OK 14 63 - 22 - 1746/2.6=3, 1742/3.0=2...(11) Peak 1750 from cnoeabs.peaks (2.91, 2.91, 38.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 35 + HB3 PHE 35 OK 100 100 - 100 Peak 1752 from cnoeabs.peaks (6.65, 2.91, 38.77 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 35 + HB3 PHE 35 OK 100 100 - 100 - 2.6=100 Peak 1755 from cnoeabs.peaks (2.85, 6.65, 132.92 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.99: * HB2 PHE 35 + QD PHE 35 OK 99 99 - 100 - 2.6=100 HB3 ASP 67 - QD PHE 35 OK 43 91 - 47 - 1749/2.6=10, ~2737=8...(10) HB3 PHE 48 - QD PHE 35 OK 34 60 - 56 - 1746=9, ~4550=8...(17) Peak 1756 from cnoeabs.peaks (2.91, 6.65, 132.92 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 35 + QD PHE 35 OK 99 99 - 100 - 2.6=100 HB3 TYR 55 + QD PHE 35 OK 58 60 - 96 - 2.5/4629=43, 5716=31...(25) HB2 ASP 67 - QD PHE 35 OK 40 91 - 44 - 2737/2.6=10, 1.8/4536=10...(9) HB2 ASN 49 - QD PHE 35 OK 11 91 - 12 - ~6080=2, ~2175=1...(5) Peak 1757 from cnoeabs.peaks (6.94, 6.65, 132.92 ppm; 4.08 A): 3 out of 4 assignments used, quality = 1.00: * QE PHE 35 + QD PHE 35 OK 99 99 - 100 - 2.2=100 HZ PHE 35 + QD PHE 35 OK 99 99 - 100 - 3.8=100 HZ PHE 48 + QD PHE 35 OK 55 99 - 56 - 4534=15, ~4541=7...(25) HD22 ASN 42 - QD PHE 35 OK 27 97 - 27 - 3.5/4649=4, 3.5/4649=4...(11) Peak 1758 from cnoeabs.peaks (6.65, 6.65, 132.92 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 35 + QD PHE 35 OK 99 99 - 100 Peak 1759 from cnoeabs.peaks (4.61, 3.87, 50.78 ppm; 5.03 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 3.6=100 HA ASN 74 - HD2 PRO 36 OK 12 98 - 12 - 1780/3.0=4, 1787/3.0=3...(4) HA ASN 80 - HD2 PRO 36 poor 9 90 - 10 - 1780/3.0=3, 1787/3.0=2...(4) Peak 1760 from cnoeabs.peaks (2.12, 3.87, 50.78 ppm; 3.36 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 3.0=100 HG3 PRO 44 + HD2 PRO 36 OK 62 90 - 68 - 2087/3.0=7, 1767/1.8=7...(37) HG3 PRO 36 + HD2 PRO 36 OK 60 60 - 100 - 2.3=100 HB ILE 40 - HD2 PRO 36 OK 29 100 - 29 - ~5210=4, 5615/5578=4...(13) Peak 1761 from cnoeabs.peaks (2.45, 3.87, 50.78 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 3.0=100 HB2 PRO 44 + HD2 PRO 36 OK 56 60 - 93 - 1782/3.0=12, 2.3/1760=12...(43) HG2 MET 11 - HD2 PRO 36 OK 28 100 - 27 - 1768/1.8=5, 1782/3.0=4...(9) Peak 1762 from cnoeabs.peaks (2.09, 3.87, 50.78 ppm; 3.26 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD2 PRO 36 OK 68 100 - 68 - 2073/3.0=8, 2076/3.0=8...(38) HB2 PRO 56 - HD2 PRO 36 OK 28 100 - 28 - 1769/1.8=3, 1783/3.0=2...(15) HG3 PRO 56 - HD2 PRO 36 OK 25 100 - 25 - 1799=3, 1769/1.8=2...(11) HB2 GLU 59 - HD2 PRO 36 lone 6 100 - 6 - HB3 GLU 59 - HD2 PRO 36 lone 6 100 - 6 - HB3 MET 31 - HD2 PRO 36 lone 4 76 - 5 - HB VAL 45 - HD2 PRO 36 lone 2 63 - 4 - Peak 1763 from cnoeabs.peaks (2.10, 3.87, 50.78 ppm; 3.26 A): 4 out of 10 assignments used, quality = 1.00: * HG3 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD2 PRO 36 OK 68 100 - 68 - 2073/3.0=8, 2076/3.0=8...(38) HB2 PRO 36 + HD2 PRO 36 OK 60 60 - 100 - 3.0=100 HB2 PRO 56 - HD2 PRO 36 OK 28 99 - 28 - 1769/1.8=3, 1783/3.0=2...(15) HG3 PRO 56 - HD2 PRO 36 OK 25 100 - 25 - 1799=3, 1769/1.8=2...(11) HB ILE 40 - HD2 PRO 36 OK 12 63 - 20 - ~5210=4, ~1938=3...(8) HB2 GLU 59 - HD2 PRO 36 lone 6 100 - 6 - HB3 GLU 59 - HD2 PRO 36 lone 6 100 - 6 - HB3 MET 31 - HD2 PRO 36 lone 3 71 - 5 - Peak 1764 from cnoeabs.peaks (3.87, 3.87, 50.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 36 + HD2 PRO 36 OK 100 100 - 100 Peak 1765 from cnoeabs.peaks (3.57, 3.87, 50.78 ppm; 2.86 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 36 + HD2 PRO 36 OK 100 100 - 100 - 1.8=100 HD3 PRO 34 - HD2 PRO 36 OK 37 68 - 54 - 4238=6, 1.8/4236=6...(25) HA VAL 41 - HD2 PRO 36 OK 20 96 - 21 - 1786/3.0=3, ~609=3...(11) Peak 1767 from cnoeabs.peaks (2.12, 3.57, 50.78 ppm; 3.42 A): 3 out of 8 assignments used, quality = 1.00: * HB2 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 3.0=100 HG3 PRO 44 + HD3 PRO 36 OK 64 90 - 71 - 1760/1.8=9, 2087/3.0=7...(37) HG3 PRO 36 + HD3 PRO 36 OK 60 60 - 100 - 2.3=100 HB ILE 40 - HD3 PRO 36 OK 34 100 - 34 - 2.1/5210=7, 1760/1.8=4...(13) HB2 PRO 36 - HD3 PRO 34 OK 24 45 - 52 - 3.0/1765=7, 1786=6...(20) HB ILE 40 - HD3 PRO 34 OK 21 45 - 47 - 1935/2.3=11, 2.1/5210=9...(14) HG3 PRO 36 - HD3 PRO 34 OK 12 21 - 54 - 2.3/1765=9, ~1692=6...(21) HG3 PRO 44 - HD3 PRO 34 lone 1 36 - 4 - Peak 1768 from cnoeabs.peaks (2.45, 3.57, 50.78 ppm; 4.78 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 3.0=100 HB2 PRO 44 + HD3 PRO 36 OK 56 60 - 94 - 1782/3.0=13, 1761/1.8=12...(43) HB3 PRO 36 - HD3 PRO 34 OK 35 45 - 77 - 3.0/1765=11, 1.8/1786=11...(24) HG2 MET 11 - HD3 PRO 36 OK 29 100 - 29 - 1761/1.8=6, 1782/3.0=4...(9) HG2 MET 11 - HD3 PRO 34 lone 2 45 - 5 - HB2 PRO 44 - HD3 PRO 34 lone 1 21 - 7 - 1761/1765=1, 1782/1786=1 Peak 1769 from cnoeabs.peaks (2.09, 3.57, 50.78 ppm; 3.34 A): 3 out of 18 assignments used, quality = 1.00: * HG2 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD3 PRO 36 OK 70 100 - 71 - 2073/3.0=8, 2076/3.0=8...(38) HB2 PRO 56 - HD3 PRO 36 OK 30 100 - 30 - 1762/1.8=3, 1783/3.0=2...(16) HG3 PRO 56 - HD3 PRO 36 OK 27 100 - 27 - 1800=3, 1762/1.8=3...(11) HG2 PRO 36 - HD3 PRO 34 OK 25 45 - 55 - 2.3/1765=9, ~1692=6...(23) HG3 PRO 36 - HD3 PRO 34 OK 25 45 - 55 - 2.3/1765=9, ~1692=6...(23) HB2 GLU 59 - HD3 PRO 36 lone 6 100 - 6 - HB3 GLU 59 - HD3 PRO 36 lone 6 100 - 6 - HB3 MET 31 - HD3 PRO 36 lone 4 76 - 5 - HB VAL 45 - HD3 PRO 36 lone 2 63 - 4 - HB3 PRO 44 - HD3 PRO 34 lone 2 45 - 4 - HB3 MET 31 - HD3 PRO 34 lone 1 28 - 4 - HG3 PRO 56 - HD3 PRO 34 lone 1 45 - 2 - HB2 PRO 56 - HD3 PRO 34 lone 1 44 - 2 - HB3 GLU 59 - HD3 PRO 34 lone 0 45 - 1 - HB2 GLU 59 - HD3 PRO 34 lone 0 45 - 1 - HB VAL 45 - HD3 PRO 34 lone 0 22 - 1 - Peak 1770 from cnoeabs.peaks (2.10, 3.57, 50.78 ppm; 3.34 A): 4 out of 20 assignments used, quality = 1.00: * HG3 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD3 PRO 36 OK 70 100 - 71 - 2073/3.0=8, 2076/3.0=8...(38) HB2 PRO 36 + HD3 PRO 36 OK 60 60 - 100 - 3.0=100 HB2 PRO 56 - HD3 PRO 36 OK 30 99 - 30 - 1762/1.8=3, 1783/3.0=2...(16) HG3 PRO 56 - HD3 PRO 36 OK 27 100 - 27 - 1800=3, 1762/1.8=3...(11) HG3 PRO 36 - HD3 PRO 34 OK 25 45 - 55 - 2.3/1765=9, ~1692=6...(23) HG2 PRO 36 - HD3 PRO 34 OK 25 45 - 55 - 2.3/1765=9, ~1692=6...(23) HB ILE 40 - HD3 PRO 36 OK 16 63 - 25 - 2.1/5210=6, 4.5/609=4...(9) HB2 PRO 36 - HD3 PRO 34 poor 10 21 - 46 - 3.0/1765=7, ~1692=5...(20) HB ILE 40 - HD3 PRO 34 poor 9 22 - 41 - 2.1/5210=8, 1935/2.3=7...(14) HB2 GLU 59 - HD3 PRO 36 lone 6 100 - 6 - HB3 GLU 59 - HD3 PRO 36 lone 6 100 - 6 - HB3 MET 31 - HD3 PRO 36 lone 4 71 - 5 - HB3 PRO 44 - HD3 PRO 34 lone 2 44 - 4 - HB3 MET 31 - HD3 PRO 34 lone 1 26 - 4 - HG3 PRO 56 - HD3 PRO 34 lone 1 44 - 2 - HB2 PRO 56 - HD3 PRO 34 lone 1 43 - 2 - HB3 GLU 59 - HD3 PRO 34 lone 0 45 - 1 - HB2 GLU 59 - HD3 PRO 34 lone 0 45 - 1 - Peak 1771 from cnoeabs.peaks (3.87, 3.57, 50.78 ppm; 2.85 A): 1 out of 12 assignments used, quality = 1.00: * HD2 PRO 36 + HD3 PRO 36 OK 100 100 - 100 - 1.8=100 HA ILE 33 - HD3 PRO 36 OK 36 89 - 40 - 4217=5, 5546/4.8=4...(18) HD2 PRO 36 - HD3 PRO 34 OK 25 45 - 56 - 1765=12, 3.8/4251=5...(25) HA ILE 33 - HD3 PRO 34 OK 25 35 - 71 - 3.8=43, 4216/1.8=17...(15) HA LEU 51 - HD3 PRO 36 OK 11 81 - 13 - 4258/4.8=2, 4252/3.8=2 HA LEU 51 - HD3 PRO 34 poor 4 31 - 14 - 4236/1.8=2, 1659/4.1=2...(5) HB3 SER 60 - HD3 PRO 36 lone 3 57 - 4 - HB2 SER 60 - HD3 PRO 36 lone 3 57 - 4 - HB3 SER 22 - HD3 PRO 36 lone 2 78 - 3 - HB3 SER 22 - HD3 PRO 34 lone 2 30 - 6 - 4236/1.8=1 HB3 SER 60 - HD3 PRO 34 lone 0 20 - 0 - HB2 SER 60 - HD3 PRO 34 lone 0 20 - 0 - Peak 1772 from cnoeabs.peaks (3.57, 3.57, 50.78 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 36 + HD3 PRO 36 OK 100 100 - 100 HD3 PRO 34 - HD3 PRO 34 OK 25 25 - 100 Peak 1773 from cnoeabs.peaks (4.61, 4.61, 62.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HA PRO 36 OK 100 100 - 100 Peak 1774 from cnoeabs.peaks (2.12, 4.61, 62.34 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PRO 36 + HA PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 44 + HA PRO 36 OK 57 90 - 63 - 2.3/1775=9, 2087/2.3=8...(25) HG3 PRO 36 - HA PRO 36 OK 42 60 - 69 - 3.8=67, 4265/4.8=4...(4) HB ILE 40 - HA PRO 36 OK 27 100 - 27 - 113/3.6=5, ~1938=4...(12) Peak 1775 from cnoeabs.peaks (2.45, 4.61, 62.34 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 36 + HA PRO 36 OK 100 100 - 100 - 2.3=100 HB2 PRO 44 - HA PRO 36 OK 42 60 - 69 - 1787=11, 1782/2.3=9...(30) HG2 MET 11 - HA PRO 36 OK 15 100 - 15 - 1782/2.3=3, 1761/3.6=2...(7) Peak 1776 from cnoeabs.peaks (2.09, 4.61, 62.34 ppm; 3.47 A): 3 out of 9 assignments used, quality = 0.98: HG3 PRO 36 + HA PRO 36 OK 77 100 - 77 - 3.8=73, 4265/4.8=6...(4) * HG2 PRO 36 + HA PRO 36 OK 77 100 - 77 - 3.8=73, 4265/4.8=6...(4) HB3 PRO 44 + HA PRO 36 OK 66 100 - 66 - 2073/2.3=11, 2076/2.3=10...(22) HB2 PRO 56 - HA PRO 36 OK 17 100 - 17 - 1783/2.3=3, 1762/3.6=2...(6) HG3 PRO 56 - HA PRO 36 OK 16 100 - 16 - 1794=2, 1783/2.3=2...(7) HB2 GLU 59 - HA PRO 36 lone 5 100 - 5 - 115/3.6=1 HB3 GLU 59 - HA PRO 36 lone 5 100 - 5 - 115/3.6=1 HB3 MET 31 - HA PRO 36 lone 2 76 - 3 - HB VAL 45 - HA PRO 36 lone 2 63 - 3 - Peak 1777 from cnoeabs.peaks (2.10, 4.61, 62.34 ppm; 3.47 A): 4 out of 10 assignments used, quality = 0.99: * HG3 PRO 36 + HA PRO 36 OK 77 100 - 77 - 3.8=73, 4265/4.8=6...(4) HG2 PRO 36 + HA PRO 36 OK 77 100 - 77 - 3.8=73, 4265/4.8=6...(4) HB3 PRO 44 + HA PRO 36 OK 65 100 - 66 - 2073/2.3=11, 2076/2.3=10...(22) HB2 PRO 36 + HA PRO 36 OK 60 60 - 100 - 2.3=100 HB2 PRO 56 - HA PRO 36 OK 17 99 - 17 - 1783/2.3=3, 1762/3.6=2...(6) HG3 PRO 56 - HA PRO 36 OK 16 100 - 16 - 1794=2, 1783/2.3=2...(7) HB ILE 40 - HA PRO 36 OK 13 63 - 21 - ~1938=4, 113/3.6=3...(7) HB2 GLU 59 - HA PRO 36 lone 5 100 - 5 - 115/3.6=1 HB3 GLU 59 - HA PRO 36 lone 5 100 - 5 - 115/3.6=1 HB3 MET 31 - HA PRO 36 lone 2 71 - 3 - Peak 1780 from cnoeabs.peaks (4.61, 2.12, 32.41 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 2.3=100 HA ASN 74 - HB2 PRO 36 OK 12 98 - 12 - 1787/1.8=3, 1759/3.0=2...(5) HA ASN 80 - HB2 PRO 36 lone 9 90 - 9 - 1787/1.8=2, 1759/3.0=2 Peak 1781 from cnoeabs.peaks (2.12, 2.12, 32.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 36 + HB2 PRO 36 OK 100 100 - 100 Peak 1782 from cnoeabs.peaks (2.45, 2.12, 32.41 ppm; 2.89 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 1.8=100 HB2 PRO 44 - HB2 PRO 36 OK 42 60 - 71 - 1.8/2076=8, 2.3/2083=7...(42) HG2 MET 11 - HB2 PRO 36 OK 14 100 - 14 - 1775/2.3=2, ~966=2...(8) Peak 1783 from cnoeabs.peaks (2.09, 2.12, 32.41 ppm; 2.69 A): 3 out of 9 assignments used, quality = 1.00: * HG2 PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HB2 PRO 36 OK 65 100 - 65 - 2073/1.8=8, 1.8/1782=8...(36) HB2 PRO 56 - HB2 PRO 36 OK 21 100 - 21 - 1762/3.0=1, 1790/1.8=1...(5) HG3 PRO 56 - HB2 PRO 36 OK 18 100 - 18 - 1796/1.8=1, 1795=1...(5) HB2 GLU 59 - HB2 PRO 36 lone 5 100 - 5 - HB3 GLU 59 - HB2 PRO 36 lone 5 100 - 5 - HB3 MET 31 - HB2 PRO 36 lone 2 76 - 3 - HB VAL 45 - HB2 PRO 36 lone 2 63 - 3 - Peak 1784 from cnoeabs.peaks (2.10, 2.12, 32.41 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HB2 PRO 36 + HB2 PRO 36 OK 60 60 - 100 Reference assignment not found: HG3 PRO 36 - HB2 PRO 36 Peak 1785 from cnoeabs.peaks (3.87, 2.12, 32.41 ppm; 4.65 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 3.0=100 HA ILE 33 + HB2 PRO 36 OK 51 89 - 58 - 4217/3.0=11, 1792/1.8=8...(16) HA LEU 51 - HB2 PRO 36 OK 12 81 - 15 - 1771/3.0=2, 1792/1.8=2...(7) HB3 SER 60 - HB2 PRO 36 poor 7 57 - 12 - ~4997=2, ~4996=1...(5) HB2 SER 60 - HB2 PRO 36 poor 7 57 - 12 - ~4997=2, ~4996=1...(5) HB3 SER 22 - HB2 PRO 36 lone 4 78 - 5 - Peak 1786 from cnoeabs.peaks (3.57, 2.12, 32.41 ppm; 4.42 A): 3 out of 3 assignments used, quality = 1.00: * HD3 PRO 36 + HB2 PRO 36 OK 100 100 - 100 - 3.0=100 HD3 PRO 34 + HB2 PRO 36 OK 48 68 - 71 - 1765/3.0=10, ~1692=9...(24) HA VAL 41 + HB2 PRO 36 OK 48 96 - 50 - 3.0/139=10, 1793/1.8=6...(15) Peak 1787 from cnoeabs.peaks (4.61, 2.45, 32.41 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 2.3=100 HA PRO 36 - HB2 PRO 44 OK 42 56 - 74 - 1775=13, 2.3/1782=10...(30) HA ASN 74 - HB3 PRO 36 lone 10 98 - 10 - 1780/1.8=3, 112/4.0=1...(5) HA ASN 80 - HB3 PRO 36 lone 7 90 - 7 - 1780/1.8=2, 1759/3.0=1 HA ASN 74 - HB2 PRO 44 lone 1 53 - 1 - HA ASN 80 - HB2 PRO 44 lone 0 46 - 1 - Peak 1788 from cnoeabs.peaks (2.12, 2.45, 32.41 ppm; 2.66 A): 4 out of 8 assignments used, quality = 1.00: * HB2 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 1.8=100 HG3 PRO 36 + HB3 PRO 36 OK 60 60 - 100 - 2.3=100 HG3 PRO 44 + HB3 PRO 36 OK 51 90 - 56 - 1774/2.3=5, ~2083=4...(35) HG3 PRO 44 + HB2 PRO 44 OK 46 46 - 100 - 2.3=100 HB2 PRO 36 - HB2 PRO 44 OK 36 56 - 63 - 1782=11, 1783/1.8=6...(34) HB ILE 40 - HB3 PRO 36 OK 21 100 - 21 - 113/4.0=3, ~1938=3...(11) HG3 PRO 36 - HB2 PRO 44 OK 15 27 - 57 - 2.3/1782=7, ~2073=3...(35) HB ILE 40 - HB2 PRO 44 OK 11 56 - 19 - 2076/1.8=2, 2083/2.3=2...(12) Peak 1789 from cnoeabs.peaks (2.45, 2.45, 32.41 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 36 + HB3 PRO 36 OK 100 100 - 100 HB2 PRO 44 - HB2 PRO 44 OK 27 27 - 100 Peak 1790 from cnoeabs.peaks (2.09, 2.45, 32.41 ppm; 2.75 A): 4 out of 18 assignments used, quality = 1.00: * HG2 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HB3 PRO 36 OK 61 100 - 61 - 2076/1.8=8, 2073=7...(31) HB3 PRO 44 + HB2 PRO 44 OK 56 56 - 100 - 1.8=100 HG2 PRO 36 - HB2 PRO 44 OK 36 56 - 64 - 2.3/1782=7, 1796=4...(39) HG3 PRO 36 - HB2 PRO 44 OK 36 56 - 64 - 2.3/1782=7, 1803=4...(39) HB2 PRO 56 - HB2 PRO 44 OK 28 55 - 51 - 2403/2.3=5, 2088/2.3=3...(32) HG3 PRO 56 - HB2 PRO 44 OK 28 56 - 50 - 2088/2.3=3, 2081/2.3=3...(36) HB2 PRO 56 - HB3 PRO 36 OK 22 100 - 22 - 1783/1.8=2, 1762/3.0=1...(6) HG3 PRO 56 - HB3 PRO 36 OK 19 100 - 19 - 1783/1.8=2, 1796=2...(5) HB2 GLU 59 - HB2 PRO 44 OK 13 56 - 23 - 2495/3.0=2, 2088/2.3=2...(9) HB3 GLU 59 - HB2 PRO 44 OK 13 56 - 23 - 2495/3.0=2, 2088/2.3=2...(9) HB VAL 45 - HB2 PRO 44 OK 11 29 - 40 - ~5650=7, ~5654=7...(17) HB2 GLU 59 - HB3 PRO 36 lone 5 100 - 5 - HB3 GLU 59 - HB3 PRO 36 lone 5 100 - 5 - HB3 MET 31 - HB2 PRO 44 poor 4 36 - 10 - ~1533=1, 2072/2.3=1, 2073=1 HB3 MET 31 - HB3 PRO 36 lone 2 76 - 2 - HB VAL 45 - HB3 PRO 36 lone 2 63 - 3 - Peak 1791 from cnoeabs.peaks (2.10, 2.45, 32.41 ppm; 2.75 A): 5 out of 20 assignments used, quality = 1.00: * HG3 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HB3 PRO 36 OK 60 100 - 61 - 2076/1.8=8, 2073=7...(31) HB2 PRO 36 + HB3 PRO 36 OK 60 60 - 100 - 1.8=100 HB3 PRO 44 + HB2 PRO 44 OK 55 55 - 100 - 1.8=100 HG3 PRO 36 - HB2 PRO 44 OK 36 56 - 64 - 2.3/1782=7, 1803=4...(39) HG2 PRO 36 - HB2 PRO 44 OK 36 56 - 64 - 2.3/1782=7, 1796=4...(39) HB2 PRO 56 - HB2 PRO 44 OK 27 54 - 51 - 2403/2.3=5, 2088/2.3=3...(32) HG3 PRO 56 - HB2 PRO 44 OK 27 55 - 50 - 2088/2.3=3, 2081/2.3=3...(36) HB2 PRO 56 - HB3 PRO 36 OK 22 99 - 22 - 1783/1.8=2, 1762/3.0=1...(6) HG3 PRO 56 - HB3 PRO 36 OK 19 100 - 19 - 1783/1.8=2, 1796=2...(5) HB2 PRO 36 - HB2 PRO 44 OK 15 27 - 57 - 1782=7, 2.3/1775=6...(30) HB3 GLU 59 - HB2 PRO 44 OK 13 56 - 23 - 2495/3.0=2, 2088/2.3=2...(9) HB2 GLU 59 - HB2 PRO 44 OK 13 56 - 23 - 2495/3.0=2, 2088/2.3=2...(9) HB ILE 40 - HB3 PRO 36 OK 10 63 - 16 - ~1938=3, ~1945=2...(7) HB2 GLU 59 - HB3 PRO 36 lone 5 100 - 5 - HB3 GLU 59 - HB3 PRO 36 lone 5 100 - 5 - HB ILE 40 - HB2 PRO 44 poor 4 29 - 12 - ~1938=2, ~5216=1...(8) HB3 MET 31 - HB2 PRO 44 poor 3 33 - 10 - ~1533=1, 2072/2.3=1, 2073=1 HB3 MET 31 - HB3 PRO 36 lone 2 71 - 2 - Peak 1792 from cnoeabs.peaks (3.87, 2.45, 32.41 ppm; 4.59 A): 3 out of 12 assignments used, quality = 1.00: * HD2 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 3.0=100 HD2 PRO 36 + HB2 PRO 44 OK 52 56 - 93 - 1761=15, 3.0/1782=12...(43) HA ILE 33 + HB3 PRO 36 OK 48 89 - 55 - 4217/3.0=11, 1785/1.8=11...(14) HA LEU 51 - HB3 PRO 36 OK 12 81 - 15 - 1785/1.8=3, 1771/3.0=2...(8) HA LEU 51 - HB2 PRO 44 poor 8 39 - 20 - ~5646=4, ~5647=3...(8) HB2 SER 60 - HB3 PRO 36 poor 7 57 - 12 - ~4997=2, 1785/1.8=2...(6) HB3 SER 60 - HB3 PRO 36 poor 7 57 - 12 - ~4997=2, 1785/1.8=2...(6) HB3 SER 22 - HB2 PRO 44 poor 4 37 - 10 - 4155/2.3=2, ~4154=1...(4) HB3 SER 22 - HB3 PRO 36 lone 4 78 - 4 - HA ILE 33 - HB2 PRO 44 lone 2 44 - 4 - 1785/1782=1 HB3 SER 60 - HB2 PRO 44 lone 1 26 - 4 - ~4997=1 HB2 SER 60 - HB2 PRO 44 lone 1 26 - 4 - ~4997=1 Peak 1793 from cnoeabs.peaks (3.57, 2.45, 32.41 ppm; 4.67 A): 4 out of 6 assignments used, quality = 1.00: * HD3 PRO 36 + HB3 PRO 36 OK 100 100 - 100 - 3.0=100 HD3 PRO 36 + HB2 PRO 44 OK 53 56 - 93 - 3.0/1782=13, 1.8/1761=12...(43) HD3 PRO 34 + HB3 PRO 36 OK 51 68 - 75 - 1765/3.0=11, 1786/1.8=10...(24) HA VAL 41 + HB3 PRO 36 OK 46 96 - 48 - 1786/1.8=10, ~139=7...(11) HA VAL 41 - HB2 PRO 44 OK 11 50 - 21 - 4343/2.3=2, ~139=2...(11) HD3 PRO 34 - HB2 PRO 44 lone 2 32 - 6 - 1765/1761=1, 1786/1782=1 Peak 1794 from cnoeabs.peaks (4.61, 2.09, 27.61 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HA PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 3.8=100 HA PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 3.8=100 HA PRO 36 - HG3 PRO 56 OK 17 75 - 22 - 1776=3, 2.3/1783=3...(9) HA ASN 74 - HG2 PRO 36 lone 9 98 - 9 - 1780/2.3=3, 1787/2.3=2 HA ASN 74 - HG3 PRO 36 lone 9 98 - 9 - 1780/2.3=3, 1787/2.3=2 HA ASN 80 - HG2 PRO 36 lone 7 90 - 7 - 1780/2.3=2, 1787/2.3=2 HA ASN 80 - HG3 PRO 36 lone 7 90 - 7 - 1780/2.3=2, 1787/2.3=2 HA ASN 74 - HG3 PRO 56 lone 3 71 - 4 - ~4595=1 HA ASN 80 - HG3 PRO 56 lone 1 62 - 1 - Peak 1795 from cnoeabs.peaks (2.12, 2.09, 27.61 ppm; 2.40 A): 5 out of 11 assignments used, quality = 1.00: * HB2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HB2 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HG3 PRO 36 + HG2 PRO 36 OK 60 60 - 100 - 1.8=100 HG3 PRO 44 + HG2 PRO 36 OK 47 90 - 52 - 2088=4, 2087/2.3=4...(34) HG3 PRO 44 + HG3 PRO 36 OK 47 90 - 52 - 2088=4, 2087/2.3=4...(34) HG3 PRO 44 - HG3 PRO 56 OK 28 62 - 46 - 2089/1.8=4, 2088=3...(26) HB ILE 40 - HG3 PRO 36 OK 18 100 - 18 - 1760/2.3=2, ~5210=2...(9) HB ILE 40 - HG2 PRO 36 OK 14 100 - 14 - 1760/2.3=2, ~5210=2...(8) HB2 PRO 36 - HG3 PRO 56 OK 11 75 - 15 - 1783=2, 1783/2.3=1, 1.8/1796=1 HG3 PRO 36 - HG3 PRO 56 poor 6 38 - 15 - 2.3/1783=1, 2.3/1762=1 HB ILE 40 - HG3 PRO 56 lone 1 75 - 1 - Peak 1796 from cnoeabs.peaks (2.45, 2.09, 27.61 ppm; 3.10 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HB2 PRO 44 + HG2 PRO 36 OK 46 60 - 76 - 1782/2.3=9, 2.3/2088=5...(46) HB2 PRO 44 + HG3 PRO 36 OK 45 60 - 76 - 1782/2.3=9, 2.3/2088=5...(46) HB2 PRO 44 - HG3 PRO 56 OK 24 38 - 63 - 2.3/2088=4, 2.3/2081=4...(46) HB3 PRO 36 - HG3 PRO 56 OK 19 75 - 26 - 1.8/1783=2, 1790=2...(9) HG2 MET 11 - HG3 PRO 36 OK 14 100 - 14 - 1782/2.3=3, 1761/2.3=2...(7) HG2 MET 11 - HG2 PRO 36 OK 14 100 - 14 - 1782/2.3=3, 1761/2.3=2...(7) HG2 MET 11 - HG3 PRO 56 lone 1 75 - 1 - Peak 1797 from cnoeabs.peaks (2.09, 2.09, 27.61 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 HG3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 74 74 - 100 Peak 1798 from cnoeabs.peaks (2.10, 2.09, 27.61 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 HG2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 74 74 - 100 Reference assignment not found: HG3 PRO 36 - HG2 PRO 36 Peak 1799 from cnoeabs.peaks (3.87, 2.09, 27.61 ppm; 3.33 A): 2 out of 18 assignments used, quality = 1.00: * HD2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HD2 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HA ILE 33 - HG3 PRO 36 OK 30 88 - 34 - 4217/2.3=8, 1785/2.3=5...(12) HA ILE 33 - HG2 PRO 36 OK 30 89 - 34 - 4217/2.3=8, 1785/2.3=5...(12) HD2 PRO 36 - HG3 PRO 56 OK 21 75 - 29 - 1762=4, 1762/2.3=3...(12) HA LEU 51 - HG3 PRO 36 lone 8 80 - 10 - 1771/2.3=2, 1785/2.3=1, ~2224=1 HA LEU 51 - HG2 PRO 36 lone 8 81 - 10 - 1771/2.3=2, 1785/2.3=1, ~2224=1 HB2 SER 60 - HG2 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 60 - HG2 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 60 - HG3 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB2 SER 60 - HG3 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 22 - HG2 PRO 36 lone 2 78 - 3 - HB3 SER 22 - HG3 PRO 36 lone 2 78 - 3 - HA LEU 51 - HG3 PRO 56 lone 1 53 - 2 - HB3 SER 22 - HG3 PRO 56 lone 1 51 - 2 - HA ILE 33 - HG3 PRO 56 lone 1 60 - 1 - HB3 SER 60 - HG3 PRO 56 lone 1 36 - 2 - HB2 SER 60 - HG3 PRO 56 lone 1 36 - 2 - Peak 1800 from cnoeabs.peaks (3.57, 2.09, 27.61 ppm; 3.34 A): 2 out of 9 assignments used, quality = 1.00: * HD3 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HD3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HD3 PRO 34 - HG2 PRO 36 OK 37 68 - 54 - 1765/2.3=9, ~1692=6...(23) HD3 PRO 34 - HG3 PRO 36 OK 37 68 - 54 - 1765/2.3=9, ~1692=6...(23) HA VAL 41 - HG3 PRO 36 OK 32 95 - 34 - 1786/2.3=5, 1765/2.3=5...(13) HA VAL 41 - HG2 PRO 36 OK 31 96 - 32 - 1786/2.3=5, 1765/2.3=5...(12) HD3 PRO 36 - HG3 PRO 56 OK 22 75 - 29 - 1769=3, 1.8/1762=3...(12) HA VAL 41 - HG3 PRO 56 lone 2 67 - 3 - HD3 PRO 34 - HG3 PRO 56 lone 1 44 - 2 - Peak 1801 from cnoeabs.peaks (4.61, 2.10, 27.61 ppm; 3.90 A): 2 out of 9 assignments used, quality = 1.00: * HA PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 3.8=100 HA PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 3.8=100 HA PRO 36 - HG3 PRO 56 OK 17 74 - 22 - 1776=3, 2.3/1783=3...(9) HA ASN 74 - HG3 PRO 36 lone 10 98 - 9 - 1780/2.3=3, 1787/2.3=2 HA ASN 74 - HG2 PRO 36 lone 9 98 - 9 - 1780/2.3=3, 1787/2.3=2 HA ASN 80 - HG3 PRO 36 lone 7 90 - 7 - 1780/2.3=2, 1787/2.3=2 HA ASN 80 - HG2 PRO 36 lone 7 90 - 7 - 1780/2.3=2, 1787/2.3=2 HA ASN 74 - HG3 PRO 56 lone 3 70 - 4 - ~4595=1 HA ASN 80 - HG3 PRO 56 lone 1 61 - 1 - Peak 1802 from cnoeabs.peaks (2.12, 2.10, 27.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.60: HG3 PRO 36 + HG3 PRO 36 OK 60 60 - 100 Reference assignment not found: HB2 PRO 36 - HG3 PRO 36 Peak 1803 from cnoeabs.peaks (2.45, 2.10, 27.61 ppm; 3.10 A): 4 out of 9 assignments used, quality = 1.00: * HB3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HB3 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HB2 PRO 44 + HG3 PRO 36 OK 46 60 - 76 - 1782/2.3=9, 2.3/2088=5...(46) HB2 PRO 44 + HG2 PRO 36 OK 45 60 - 76 - 1782/2.3=9, 2.3/2088=5...(46) HB2 PRO 44 - HG3 PRO 56 OK 23 37 - 63 - 2.3/2088=4, 2.3/2081=4...(46) HB3 PRO 36 - HG3 PRO 56 OK 19 74 - 26 - 1.8/1783=2, 1790=2...(9) HG2 MET 11 - HG3 PRO 36 OK 14 100 - 14 - 1782/2.3=3, 1761/2.3=2...(7) HG2 MET 11 - HG2 PRO 36 OK 14 100 - 14 - 1782/2.3=3, 1761/2.3=2...(7) HG2 MET 11 - HG3 PRO 56 lone 1 74 - 1 - Peak 1804 from cnoeabs.peaks (2.09, 2.10, 27.61 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 HG2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 74 74 - 100 Reference assignment not found: HG2 PRO 36 - HG3 PRO 36 Peak 1805 from cnoeabs.peaks (2.10, 2.10, 27.61 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 HG2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 HG3 PRO 56 + HG3 PRO 56 OK 73 73 - 100 Peak 1806 from cnoeabs.peaks (3.87, 2.10, 27.61 ppm; 3.33 A): 2 out of 18 assignments used, quality = 1.00: * HD2 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HD2 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HA ILE 33 - HG3 PRO 36 OK 30 89 - 34 - 4217/2.3=8, 1785/2.3=5...(12) HA ILE 33 - HG2 PRO 36 OK 30 88 - 34 - 4217/2.3=8, 1785/2.3=5...(12) HD2 PRO 36 - HG3 PRO 56 OK 21 74 - 29 - 1762=4, 1762/2.3=3...(12) HA LEU 51 - HG3 PRO 36 lone 8 81 - 10 - 1771/2.3=2, 1785/2.3=1, ~2224=1 HA LEU 51 - HG2 PRO 36 lone 8 80 - 10 - 1771/2.3=2, 1785/2.3=1, ~2224=1 HB2 SER 60 - HG3 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 60 - HG3 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 60 - HG2 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB2 SER 60 - HG2 PRO 36 lone 5 57 - 9 - 3.0/4997=1, ~4997=1 HB3 SER 22 - HG2 PRO 36 lone 2 78 - 3 - HB3 SER 22 - HG3 PRO 36 lone 2 78 - 2 - HA LEU 51 - HG3 PRO 56 lone 1 53 - 2 - HB3 SER 22 - HG3 PRO 56 lone 1 51 - 2 - HA ILE 33 - HG3 PRO 56 lone 1 60 - 1 - HB3 SER 60 - HG3 PRO 56 lone 1 35 - 2 - HB2 SER 60 - HG3 PRO 56 lone 1 35 - 2 - Peak 1807 from cnoeabs.peaks (3.57, 2.10, 27.61 ppm; 3.34 A): 2 out of 9 assignments used, quality = 1.00: * HD3 PRO 36 + HG3 PRO 36 OK 100 100 - 100 - 2.3=100 HD3 PRO 36 + HG2 PRO 36 OK 100 100 - 100 - 2.3=100 HD3 PRO 34 - HG3 PRO 36 OK 37 68 - 54 - 1765/2.3=9, ~1692=6...(23) HD3 PRO 34 - HG2 PRO 36 OK 36 68 - 54 - 1765/2.3=9, ~1692=6...(23) HA VAL 41 - HG3 PRO 36 OK 33 96 - 34 - 1786/2.3=5, 1765/2.3=5...(13) HA VAL 41 - HG2 PRO 36 OK 31 95 - 32 - 1786/2.3=5, 1765/2.3=5...(12) HD3 PRO 36 - HG3 PRO 56 OK 21 74 - 29 - 1769=3, 1.8/1762=3...(12) HA VAL 41 - HG3 PRO 56 lone 2 67 - 3 - HD3 PRO 34 - HG3 PRO 56 lone 1 43 - 2 - Peak 1808 from cnoeabs.peaks (8.81, 3.94, 64.91 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * H THR 37 + HA THR 37 OK 100 100 - 100 - 3.0=100 H LEU 62 + HA THR 37 OK 58 98 - 59 - 718=12, 1816/3.2=9...(15) Peak 1809 from cnoeabs.peaks (3.94, 3.94, 64.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 37 + HA THR 37 OK 100 100 - 100 Peak 1810 from cnoeabs.peaks (4.22, 3.94, 64.91 ppm; 3.38 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 37 + HA THR 37 OK 100 100 - 100 - 3.0=100 HA LYS 39 - HA THR 37 OK 24 65 - 37 - 3.6/4266=13, 3.0/5603=9...(6) HA THR 15 - HA THR 37 poor 9 76 - 12 - 1818/3.2=2, 3.2/1811=2...(5) HA ALA 77 - HA THR 37 lone 4 97 - 4 - HA LYS 75 - HA THR 37 lone 4 81 - 5 - HA LYS 85 - HA THR 37 lone 3 99 - 3 - HA LYS 83 - HA THR 37 lone 2 83 - 3 - HA ALA 78 - HA THR 37 lone 2 89 - 2 - HA GLN 79 - HA THR 37 lone 1 68 - 2 - Peak 1811 from cnoeabs.peaks (1.17, 3.94, 64.91 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 37 + HA THR 37 OK 100 100 - 100 - 3.2=100 HG LEU 52 - HA THR 37 OK 15 73 - 20 - 2.1/4547=4, 1815/3.0=2...(7) QG2 THR 15 - HA THR 37 lone 8 83 - 10 - 1815/3.0=2, 3.2/1810=2 HG12 ILE 89 - HA THR 37 lone 5 60 - 8 - 2.1/4281=1, 1815/3.0=1 QG2 THR 88 - HA THR 37 lone 2 71 - 2 - Peak 1812 from cnoeabs.peaks (8.81, 4.22, 68.34 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + HB THR 37 OK 100 100 - 100 - 3.8=100 H LEU 62 - HB THR 37 OK 37 98 - 37 - 1808/3.0=11, 1816/2.1=11...(7) Peak 1813 from cnoeabs.peaks (3.94, 4.22, 68.34 ppm; 3.38 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 37 + HB THR 37 OK 100 100 - 100 - 3.0=100 HA LEU 62 - HB THR 37 OK 32 96 - 34 - 2564/3.8=6, 1817/2.1=6...(12) HA ALA 28 - HB THR 37 OK 23 78 - 29 - ~6128=10, ~5532=8...(6) HA GLN 61 - HB THR 37 poor 7 60 - 12 - 3.6/1812=5, 3901/3.8=2 HA3 GLY 18 - HB THR 37 lone 5 99 - 5 - HA2 GLY 18 - HB THR 37 lone 5 99 - 5 - HA3 GLY 21 - HB THR 37 lone 4 92 - 4 - HA2 GLY 21 - HB THR 37 lone 4 90 - 4 - HA2 GLY 72 - HB THR 37 lone 3 65 - 5 - HA GLU 50 - HB THR 37 lone 2 63 - 2 - Peak 1814 from cnoeabs.peaks (4.22, 4.22, 68.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 37 + HB THR 37 OK 100 100 - 100 Peak 1815 from cnoeabs.peaks (1.17, 4.22, 68.34 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 37 + HB THR 37 OK 100 100 - 100 - 2.1=100 HG LEU 52 - HB THR 37 poor 10 73 - 13 - 1811/3.0=2, ~6128=2...(6) QG2 THR 15 - HB THR 37 lone 8 83 - 10 - 1811/3.0=1, 1137=1...(5) HG12 ILE 89 - HB THR 37 lone 4 60 - 7 - 2.1/4283=1 QG2 THR 88 - HB THR 37 lone 1 71 - 2 - Peak 1816 from cnoeabs.peaks (8.81, 1.17, 22.48 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.96: * H THR 37 + QG2 THR 37 OK 93 100 - 93 - 4.0=90, 912/4.1=23, 3.6/4269=10 H LEU 62 + QG2 THR 37 OK 36 98 - 37 - 1808/3.2=9, 1812/2.1=9...(8) Peak 1817 from cnoeabs.peaks (3.94, 1.17, 22.48 ppm; 3.41 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 37 + QG2 THR 37 OK 100 100 - 100 - 3.2=100 HA LEU 62 - QG2 THR 37 OK 34 96 - 35 - 3.0/1816=6, 2564/4.0=6...(12) HA ALA 28 - QG2 THR 37 OK 26 78 - 34 - 2.1/6128=20, 1813/2.1=4...(5) HA GLN 61 - QG2 THR 37 poor 9 60 - 15 - 3.6/1816=5, 3901/4.0=2...(5) HA3 GLY 21 - QG2 THR 37 lone 5 92 - 6 - HA2 GLY 21 - QG2 THR 37 lone 5 90 - 6 - HA3 GLY 18 - QG2 THR 37 lone 5 99 - 5 - HA2 GLY 18 - QG2 THR 37 lone 5 99 - 5 - HA2 GLY 72 - QG2 THR 37 lone 4 65 - 6 - 4762/4754=1 HA GLU 50 - QG2 THR 37 lone 2 63 - 3 - Peak 1818 from cnoeabs.peaks (4.22, 1.17, 22.48 ppm; 3.09 A): 1 out of 9 assignments used, quality = 1.00: * HB THR 37 + QG2 THR 37 OK 100 100 - 100 - 2.1=100 HA LYS 39 - QG2 THR 37 OK 12 65 - 19 - ~5603=4, 121/4.1=4...(5) HA THR 15 - QG2 THR 37 OK 11 76 - 15 - 1131=3, 3.0/479=2...(5) HA ALA 77 - QG2 THR 37 lone 3 97 - 3 - HA LYS 75 - QG2 THR 37 lone 3 81 - 3 - HA LYS 85 - QG2 THR 37 lone 2 99 - 2 - HA LYS 83 - QG2 THR 37 lone 2 83 - 2 - HA ALA 78 - QG2 THR 37 lone 2 89 - 2 - HA GLN 79 - QG2 THR 37 lone 1 68 - 1 - Peak 1819 from cnoeabs.peaks (1.17, 1.17, 22.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 37 + QG2 THR 37 OK 100 100 - 100 Peak 1820 from cnoeabs.peaks (8.70, 4.28, 56.69 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + HA ASP 38 OK 100 100 - 100 - 3.0=100 Peak 1821 from cnoeabs.peaks (4.28, 4.28, 56.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 38 + HA ASP 38 OK 100 100 - 100 Peak 1822 from cnoeabs.peaks (2.62, 4.28, 56.69 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASP 38 + HA ASP 38 OK 95 100 - 95 - 3.0=92, 590/3.0=10...(8) HB3 ASP 38 + HA ASP 38 OK 95 100 - 95 - 3.0=92, 590/3.0=10...(8) HG2 MET 31 - HA ASP 38 lone 9 100 - 9 - 3.0/5355=3, 3.3/5081=1 HG2 GLN 61 - HA ASP 38 lone 4 83 - 4 - Peak 1823 from cnoeabs.peaks (2.62, 4.28, 56.69 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASP 38 + HA ASP 38 OK 95 100 - 95 - 3.0=92, 590/3.0=10...(8) HB2 ASP 38 + HA ASP 38 OK 95 100 - 95 - 3.0=92, 590/3.0=10...(8) HG2 MET 31 - HA ASP 38 lone 9 100 - 9 - 3.0/5355=3, 3.3/5081=1 HG2 GLN 61 - HA ASP 38 lone 4 81 - 4 - Peak 1824 from cnoeabs.peaks (8.70, 2.62, 40.03 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.99: * H ASP 38 + HB2 ASP 38 OK 92 100 - 92 - 4.0=80, 590/1.8=21...(8) H ASP 38 + HB3 ASP 38 OK 92 100 - 92 - 4.0=80, 590/1.8=21...(8) Peak 1825 from cnoeabs.peaks (4.28, 2.62, 40.03 ppm; 3.18 A): 2 out of 20 assignments used, quality = 1.00: * HA ASP 38 + HB2 ASP 38 OK 100 100 - 100 - 3.0=100 HA ASP 38 + HB3 ASP 38 OK 100 100 - 100 - 3.0=100 HA LYS 39 - HB2 ASP 38 OK 14 60 - 23 - 3.0/126=8, ~126=5...(5) HA LYS 39 - HB3 ASP 38 OK 14 60 - 23 - 3.0/126=8, ~126=5...(5) HA LEU 64 - HB2 ASP 38 OK 13 85 - 15 - 3.9/5021=2, 124/4.7=2...(7) HA LEU 64 - HB3 ASP 38 OK 13 85 - 15 - 3.9/5021=2, 124/4.7=2...(7) HA SER 60 - HB2 ASP 38 lone 3 100 - 3 - HA SER 60 - HB3 ASP 38 lone 3 100 - 3 - HA ARG 17 - HB2 ASP 38 lone 2 100 - 1 - HA ARG 17 - HB3 ASP 38 lone 1 100 - 1 - HA THR 88 - HB2 ASP 38 lone 1 100 - 1 - HA THR 88 - HB3 ASP 38 lone 1 100 - 1 - HA ALA 20 - HB2 ASP 38 lone 1 87 - 1 - HA ALA 20 - HB3 ASP 38 lone 1 87 - 1 - HA GLU 19 - HB2 ASP 38 lone 1 78 - 1 - HA GLU 19 - HB3 ASP 38 lone 1 78 - 1 - HA LEU 86 - HB2 ASP 38 lone 1 76 - 1 - HA LEU 86 - HB3 ASP 38 lone 1 76 - 1 - HA ALA 12 - HB2 ASP 38 lone 1 81 - 1 - HA ALA 12 - HB3 ASP 38 lone 1 81 - 1 - Peak 1826 from cnoeabs.peaks (2.62, 2.62, 40.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 38 + HB2 ASP 38 OK 100 100 - 100 HB3 ASP 38 + HB3 ASP 38 OK 100 100 - 100 Peak 1827 from cnoeabs.peaks (2.62, 2.62, 40.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 38 + HB3 ASP 38 OK 100 100 - 100 HB2 ASP 38 + HB2 ASP 38 OK 100 100 - 100 Reference assignment not found: HB3 ASP 38 - HB2 ASP 38 Peak 1828 from cnoeabs.peaks (8.70, 2.62, 40.03 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.99: H ASP 38 + HB2 ASP 38 OK 92 100 - 92 - 4.0=80, 590/1.8=21...(8) * H ASP 38 + HB3 ASP 38 OK 92 100 - 92 - 4.0=80, 590/1.8=21...(8) Peak 1829 from cnoeabs.peaks (4.28, 2.62, 40.03 ppm; 3.18 A): 2 out of 20 assignments used, quality = 1.00: * HA ASP 38 + HB3 ASP 38 OK 100 100 - 100 - 3.0=100 HA ASP 38 + HB2 ASP 38 OK 100 100 - 100 - 3.0=100 HA LYS 39 - HB3 ASP 38 OK 14 60 - 23 - 3.0/126=8, ~126=5...(5) HA LYS 39 - HB2 ASP 38 OK 14 60 - 23 - 3.0/126=8, ~126=5...(5) HA LEU 64 - HB2 ASP 38 OK 13 85 - 15 - 3.9/5021=2, 124/4.7=2...(7) HA LEU 64 - HB3 ASP 38 OK 13 85 - 15 - 3.9/5021=2, 124/4.7=2...(7) HA SER 60 - HB2 ASP 38 lone 3 100 - 3 - HA SER 60 - HB3 ASP 38 lone 3 100 - 3 - HA ARG 17 - HB2 ASP 38 lone 1 100 - 1 - HA ARG 17 - HB3 ASP 38 lone 1 100 - 1 - HA THR 88 - HB2 ASP 38 lone 1 100 - 1 - HA THR 88 - HB3 ASP 38 lone 1 100 - 1 - HA ALA 20 - HB3 ASP 38 lone 1 87 - 1 - HA ALA 20 - HB2 ASP 38 lone 1 87 - 1 - HA GLU 19 - HB3 ASP 38 lone 1 78 - 1 - HA GLU 19 - HB2 ASP 38 lone 1 78 - 1 - HA LEU 86 - HB2 ASP 38 lone 1 76 - 1 - HA LEU 86 - HB3 ASP 38 lone 1 76 - 1 - HA ALA 12 - HB3 ASP 38 lone 1 81 - 1 - HA ALA 12 - HB2 ASP 38 lone 1 81 - 1 - Peak 1830 from cnoeabs.peaks (2.62, 2.62, 40.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 38 + HB3 ASP 38 OK 100 100 - 100 HB2 ASP 38 + HB2 ASP 38 OK 100 100 - 100 Reference assignment not found: HB2 ASP 38 - HB3 ASP 38 Peak 1831 from cnoeabs.peaks (2.62, 2.62, 40.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 38 + HB3 ASP 38 OK 100 100 - 100 HB2 ASP 38 + HB2 ASP 38 OK 100 100 - 100 Peak 1832 from cnoeabs.peaks (7.39, 4.25, 57.41 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 H LEU 64 - HA LYS 39 OK 34 65 - 51 - 1862/4.1=6, 1872/4.1=6...(16) Peak 1833 from cnoeabs.peaks (4.25, 4.25, 57.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1834 from cnoeabs.peaks (1.85, 4.25, 57.41 ppm; 3.25 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LYS 75 - HA LYS 39 OK 45 96 - 47 - 593/3.0=5, 2.7/1837=5...(18) HB3 PRO 34 - HA LYS 39 OK 15 85 - 17 - 129/3.6=3, 1864/4.1=1...(4) HB3 ARG 23 - HA LYS 39 OK 13 99 - 13 - 3.0/1836=2, 593/3.0=1...(4) HB2 ARG 23 - HA LYS 39 OK 13 99 - 13 - 3.0/1836=2, 593/3.0=1...(4) HB2 ARG 71 - HA LYS 39 lone 5 100 - 5 - HB3 ARG 71 - HA LYS 39 lone 5 100 - 5 - HB2 ARG 17 - HA LYS 39 lone 4 92 - 5 - HB3 ARG 27 - HA LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HA LYS 39 lone 4 100 - 4 - HB2 ARG 66 - HA LYS 39 lone 3 81 - 4 - HB2 ARG 26 - HA LYS 39 lone 1 71 - 2 - HB3 ARG 26 - HA LYS 39 lone 1 68 - 2 - HB2 MET 11 - HA LYS 39 lone 1 57 - 1 - Peak 1835 from cnoeabs.peaks (1.78, 4.25, 57.41 ppm; 3.19 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB3 LYS 75 - HA LYS 39 OK 43 100 - 44 - 2.7/1837=5, 2.7/1837=5...(16) HB2 ARG 54 - HA LYS 39 OK 24 89 - 27 - 1.8/1836=4, 4.1/6081=4...(12) HB2 LYS 13 - HA LYS 39 OK 18 99 - 18 - 3.0/1837=2, 3.9/8=1, 1853=1 HB3 LYS 73 - HA LYS 39 OK 17 100 - 17 - 2.9/1837=2, 1852/3.0=1 HB2 PRO 34 - HA LYS 39 OK 15 100 - 15 - 130/3.6=2, 1709/3.0=1...(4) HB2 LYS 32 - HA LYS 39 OK 11 98 - 11 - HB3 LYS 32 - HA LYS 39 OK 11 98 - 11 - HG2 PRO 34 - HA LYS 39 OK 10 76 - 14 - 1723/3.0=2, 130/3.6=1, ~1730=1 HB2 ARG 69 - HA LYS 39 OK 10 83 - 12 - 130/3.6=2, 1.8/1837=2 HB2 LYS 85 - HA LYS 39 lone 8 83 - 9 - HB2 LYS 83 - HA LYS 39 lone 6 100 - 6 - HB2 LEU 57 - HA LYS 39 lone 5 90 - 6 - HB3 ARG 84 - HA LYS 39 lone 5 83 - 6 - HB3 ARG 82 - HA LYS 39 lone 5 89 - 5 - HB ILE 33 - HA LYS 39 lone 4 93 - 4 - Peak 1836 from cnoeabs.peaks (1.55, 4.25, 57.41 ppm; 3.91 A): 2 out of 8 assignments used, quality = 0.98: * HG2 LYS 39 + HA LYS 39 OK 96 100 - 96 - 4.1=89, 1862/3.0=17...(17) HG LEU 64 + HA LYS 39 OK 54 99 - 55 - 2.1/2648=8, 595/3.0=6...(19) HB3 ARG 54 - HA LYS 39 OK 40 100 - 40 - 4.1/6081=6, 5306/3.6=5...(13) HG3 ARG 23 - HA LYS 39 OK 20 99 - 20 - 3.0/1834=2, 3.0/1834=2...(6) HG3 ARG 54 - HA LYS 39 OK 17 63 - 27 - 4.9/6081=5, 3.0/1835=3...(12) HB3 LEU 86 - HA LYS 39 OK 16 92 - 17 - 1876/4.1=2, 1846/3.0=2...(5) HG LEU 62 - HA LYS 39 OK 13 87 - 14 - 595/3.0=2, 6076/3.6=1...(4) HG2 ARG 82 - HA LYS 39 lone 7 83 - 8 - Peak 1837 from cnoeabs.peaks (1.40, 4.25, 57.41 ppm; 3.40 A): 3 out of 12 assignments used, quality = 0.95: * HG3 LYS 39 + HA LYS 39 OK 82 100 - 82 - 4.1=59, 1872/3.0=13...(16) HG2 LYS 75 + HA LYS 39 OK 49 92 - 53 - 2.7/1834=6, 2.7/1835=4...(23) HG3 LYS 75 + HA LYS 39 OK 49 92 - 53 - 2.7/1834=6, 2.7/1835=4...(23) HG3 LYS 73 - HA LYS 39 OK 19 89 - 22 - 2.9/1835=2, 1867/4.1=1...(5) HG2 LYS 13 - HA LYS 39 OK 19 85 - 22 - 1021/3.0=2, 3.0/1835=2...(8) QB ALA 53 - HA LYS 39 OK 18 96 - 19 - 3.6/6081=5, 2.9/3805=3...(6) HB3 ARG 69 - HA LYS 39 OK 14 97 - 14 - 6077/3.6=2, 2802/3.0=1...(4) HG3 ARG 69 - HA LYS 39 poor 6 63 - 10 - 6077/3.6=1 HG2 LYS 85 - HA LYS 39 lone 5 65 - 8 - QB ALA 20 - HA LYS 39 lone 3 65 - 4 - QB ALA 78 - HA LYS 39 lone 2 89 - 2 - QB ALA 77 - HA LYS 39 lone 2 60 - 3 - Peak 1838 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.80 A): 2 out of 16 assignments used, quality = 0.96: HD3 LYS 39 + HA LYS 39 OK 80 100 - 80 - 5.0=43, 3.0/1873=10...(20) * HD2 LYS 39 + HA LYS 39 OK 80 100 - 80 - 5.0=43, 3.0/1873=10...(20) HB3 LEU 51 - HA LYS 39 OK 35 90 - 38 - ~5204=7, ~5203=6...(11) HG3 ARG 54 - HA LYS 39 OK 28 99 - 28 - 4.9/6081=5, 3.0/1835=3...(13) HD3 LYS 73 - HA LYS 39 OK 20 65 - 30 - 2.9/1837=2, 3.5/1835=2...(6) HD2 LYS 73 - HA LYS 39 OK 20 65 - 30 - 2.9/1837=2, 3.5/1835=2...(6) HB3 LEU 62 - HA LYS 39 OK 15 100 - 15 - ~5605=2, 598/3.0=2, 4.6/4690=1 HG LEU 86 - HA LYS 39 OK 14 92 - 15 - ~5111=2, 1869/4.1=1...(4) HD2 LYS 32 - HA LYS 39 OK 12 65 - 18 - 3.5/1835=1, 3.5/1835=1 HD3 LYS 32 - HA LYS 39 OK 12 60 - 19 - 3.5/1835=1, 3.5/1835=1 HB3 LEU 86 - HA LYS 39 OK 11 83 - 14 - ~5111=1, 4.0/385=1, 1869/4.1=1 HG3 ARG 84 - HA LYS 39 OK 10 97 - 10 - HG2 ARG 84 - HA LYS 39 OK 10 97 - 10 - HG LEU 62 - HA LYS 39 poor 9 89 - 10 - 598/3.0=1, 6076/3.6=1 HB3 LEU 29 - HA LYS 39 lone 7 100 - 7 - HG3 ARG 70 - HA LYS 39 lone 1 60 - 2 - Peak 1839 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 3.80 A): 2 out of 14 assignments used, quality = 0.96: * HD3 LYS 39 + HA LYS 39 OK 80 100 - 80 - 5.0=43, 3.0/1873=10...(20) HD2 LYS 39 + HA LYS 39 OK 80 100 - 80 - 5.0=43, 3.0/1873=10...(20) HB3 LEU 51 - HA LYS 39 OK 34 89 - 38 - ~5204=7, ~5203=6...(11) HG3 ARG 54 - HA LYS 39 OK 28 99 - 28 - 4.9/6081=5, 3.0/1835=3...(13) HD2 LYS 73 - HA LYS 39 OK 19 63 - 30 - 2.9/1837=2, 3.5/1835=2...(6) HD3 LYS 73 - HA LYS 39 OK 19 63 - 30 - 2.9/1837=2, 3.5/1835=2...(6) HB3 LEU 62 - HA LYS 39 OK 15 99 - 15 - ~5605=2, 598/3.0=2, 4.6/4690=1 HG LEU 86 - HA LYS 39 OK 14 90 - 15 - ~5111=2, 1869/4.1=1...(4) HB3 LEU 86 - HA LYS 39 OK 12 85 - 14 - ~5111=1, 4.0/385=1, 1869/4.1=1 HD2 LYS 32 - HA LYS 39 OK 11 63 - 18 - 3.5/1835=1, 3.5/1835=1 HG3 ARG 84 - HA LYS 39 OK 10 97 - 10 - HG2 ARG 84 - HA LYS 39 OK 10 97 - 10 - HG LEU 62 - HA LYS 39 poor 10 90 - 11 - 598/3.0=1, 6076/3.6=1 HB3 LEU 29 - HA LYS 39 lone 7 100 - 7 - Peak 1842 from cnoeabs.peaks (7.39, 1.85, 32.41 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.0=100 H LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 593=11, 3.0/1834=8...(20) H LEU 64 - HB2 LYS 39 OK 30 65 - 47 - 1862/2.9=8, 1832/3.0=8...(12) H LEU 64 - HB2 LYS 75 poor 6 51 - 11 - 4.4/5111=1, 261/4.6=1 Peak 1843 from cnoeabs.peaks (4.25, 1.85, 32.41 ppm; 3.41 A): 4 out of 28 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 75 + HB2 LYS 75 OK 85 85 - 100 - 3.0=100 HA LYS 75 + HB2 LYS 39 OK 52 99 - 53 - 3068=9, 3069/1.8=5...(25) HA LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 1834=10, 3.0/593=6...(21) HA LEU 64 - HB2 LYS 39 OK 38 97 - 39 - 2616/2.9=5, 1873/2.9=4...(18) HA LYS 85 - HB2 LYS 75 OK 17 64 - 26 - 3425/1.8=2, ~3066=2...(6) HA ASP 38 - HB2 LYS 39 OK 13 60 - 21 - 3.6/593=10, 5592/4.4=5...(5) HA LYS 83 - HB2 LYS 75 OK 12 85 - 14 - 3279/1.8=1 HA LYS 83 - HB2 LYS 39 OK 11 99 - 11 - 1873/2.9=1, 1863/2.9=1 HA LYS 85 - HB2 LYS 39 poor 9 81 - 11 - HA ALA 77 - HB2 LYS 75 poor 8 72 - 11 - 339/4.6=3, ~817=1 HA LEU 64 - HB2 LYS 75 lone 7 82 - 9 - 339/4.6=1 HB THR 37 - HB2 LYS 39 lone 6 65 - 9 - 128/4.4=2, 592/4.0=2...(4) HA ALA 20 - HB2 LYS 39 lone 4 97 - 4 - HA ARG 17 - HB2 LYS 39 lone 3 63 - 5 - HA GLU 19 - HB2 LYS 39 lone 3 99 - 3 - HA ALA 20 - HB2 LYS 75 lone 3 81 - 4 - HA ASP 38 - HB2 LYS 75 lone 3 46 - 6 - 3.6/593=5 HA THR 15 - HB2 LYS 39 lone 3 100 - 3 - HA ALA 77 - HB2 LYS 39 lone 3 89 - 3 - HA ALA 12 - HB2 LYS 39 lone 2 99 - 2 - HA THR 15 - HB2 LYS 75 lone 2 86 - 2 - HA GLU 19 - HB2 LYS 75 lone 2 85 - 2 - HA ALA 12 - HB2 LYS 75 lone 2 84 - 2 - HB THR 37 - HB2 LYS 75 lone 2 51 - 3 - HA ARG 17 - HB2 LYS 75 lone 1 48 - 2 - HA SER 60 - HB2 LYS 39 lone 1 63 - 2 - HA SER 60 - HB2 LYS 75 lone 0 48 - 1 - Peak 1844 from cnoeabs.peaks (1.85, 1.85, 32.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB2 LYS 75 + HB2 LYS 75 OK 79 79 - 100 Peak 1845 from cnoeabs.peaks (1.78, 1.85, 32.41 ppm; 2.40 A): 2 out of 32 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 1.8=100 HB3 LYS 75 + HB2 LYS 75 OK 86 86 - 100 - 1.8=100 HB3 LYS 75 - HB2 LYS 39 OK 27 100 - 28 - 3.0/3068=2, 1835/3.0=2...(10) HB3 LYS 39 - HB2 LYS 75 OK 24 87 - 27 - 3.0/1834=3, 2.9/1864=2...(7) HB2 ARG 54 - HB2 LYS 39 OK 16 89 - 18 - 2310/2.9=2, 1.8/1846=1...(5) HB2 PRO 34 - HB2 LYS 39 OK 14 100 - 14 - 1709=1, 2.3/1723=1 HB3 LYS 73 - HB2 LYS 75 OK 14 86 - 16 - 3069/3.0=1 HB2 LYS 13 - HB2 LYS 75 OK 13 85 - 15 - 3069/3.0=1, ~1011=1 HB2 LYS 13 - HB2 LYS 39 OK 11 99 - 11 - HB2 ARG 69 - HB2 LYS 75 poor 9 66 - 14 - 3941/4.6=1, 3069/3.0=1...(5) HG2 PRO 34 - HB2 LYS 39 poor 9 76 - 12 - HB3 LYS 73 - HB2 LYS 39 lone 9 100 - 9 - HB2 LYS 85 - HB2 LYS 75 poor 9 66 - 13 - 3069/3.0=1 HB2 LYS 32 - HB2 LYS 39 lone 8 98 - 8 - HB3 LYS 32 - HB2 LYS 39 lone 8 98 - 8 - HB2 ARG 69 - HB2 LYS 39 lone 6 83 - 7 - HB2 LYS 83 - HB2 LYS 75 lone 5 87 - 6 - HB2 LYS 85 - HB2 LYS 39 lone 4 83 - 5 - HB2 LEU 57 - HB2 LYS 39 lone 4 90 - 4 - HB3 LYS 32 - HB2 LYS 75 lone 4 83 - 5 - HB2 LYS 32 - HB2 LYS 75 lone 4 83 - 5 - HB2 LYS 83 - HB2 LYS 39 lone 4 100 - 4 - HB3 ARG 84 - HB2 LYS 39 lone 3 83 - 4 - HB3 ARG 82 - HB2 LYS 39 lone 3 89 - 4 - HB ILE 33 - HB2 LYS 39 lone 3 93 - 3 - HB3 ARG 84 - HB2 LYS 75 lone 2 66 - 3 - HB2 ARG 54 - HB2 LYS 75 lone 2 72 - 2 - HB2 LEU 57 - HB2 LYS 75 lone 1 73 - 2 - HB2 PRO 34 - HB2 LYS 75 lone 1 87 - 1 - HB3 ARG 82 - HB2 LYS 75 lone 1 72 - 1 - HB ILE 33 - HB2 LYS 75 lone 1 77 - 1 - HG2 PRO 34 - HB2 LYS 75 lone 1 60 - 1 - Peak 1846 from cnoeabs.peaks (1.55, 1.85, 32.41 ppm; 4.02 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB2 LYS 75 OK 63 87 - 72 - 1864=11, 1.8/1874=7...(34) HG LEU 64 + HB2 LYS 39 OK 58 99 - 59 - 2.1/5111=7, 2.1/5022=6...(23) HB3 ARG 54 + HB2 LYS 39 OK 52 100 - 53 - 1876/2.9=6, 1836/3.0=5...(26) HB3 LEU 86 - HB2 LYS 39 OK 26 92 - 28 - 3.1/5111=3, 1876/2.9=3...(9) HG3 ARG 23 - HB2 LYS 39 OK 23 99 - 23 - 1836/3.0=2, 1876/2.9=2...(8) HG3 ARG 54 - HB2 LYS 39 OK 21 63 - 34 - ~2326=3, ~2325=3...(16) HG LEU 62 - HB2 LYS 39 OK 18 87 - 20 - 1876/2.9=2, 1836/3.0=1...(7) HG LEU 64 - HB2 LYS 75 OK 12 84 - 14 - 2.1/5111=2, 2.1/5022=2, ~2648=1 HG3 ARG 23 - HB2 LYS 75 lone 8 85 - 10 - HG2 ARG 82 - HB2 LYS 39 lone 8 83 - 9 - HB3 ARG 54 - HB2 LYS 75 lone 8 87 - 9 - 5145/5203=2 HB3 LEU 86 - HB2 LYS 75 lone 3 75 - 4 - HG LEU 62 - HB2 LYS 75 lone 3 70 - 4 - HG2 ARG 82 - HB2 LYS 75 lone 2 66 - 3 - HG3 ARG 54 - HB2 LYS 75 lone 2 48 - 4 - Peak 1847 from cnoeabs.peaks (1.40, 1.85, 32.41 ppm; 3.54 A): 6 out of 24 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HB2 LYS 75 OK 75 75 - 100 - 2.7=100 HG2 LYS 75 + HB2 LYS 75 OK 75 75 - 100 - 2.7=100 HG2 LYS 75 + HB2 LYS 39 OK 60 92 - 66 - 1867/2.9=5, 1837/3.0=5...(36) HG3 LYS 75 + HB2 LYS 39 OK 60 92 - 66 - 1867/2.9=5, 1837/3.0=5...(36) HG3 LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 1.8/1864=7, 1874=6...(24) HG2 LYS 13 - HB2 LYS 75 OK 26 68 - 38 - 1021/1.8=4, 2.9/3128=2...(15) HB3 ARG 69 - HB2 LYS 75 OK 25 82 - 30 - 2802/1.8=4, 3942/4.6=4...(14) HG3 LYS 73 - HB2 LYS 75 OK 24 72 - 34 - 3071/3.0=2, 1.8/2990=1...(13) HG2 LYS 13 - HB2 LYS 39 OK 24 85 - 28 - 1021/1.8=3, 1867/2.9=2...(7) HG3 LYS 73 - HB2 LYS 39 OK 23 89 - 26 - 1867/2.9=2, 1837/3.0=2 HB3 ARG 69 - HB2 LYS 39 OK 18 97 - 19 - 6077/4.4=2, 2802/1.8=2...(4) QB ALA 53 - HB2 LYS 39 OK 15 96 - 16 - 1837/3.0=2, 2.9/3806=2...(8) HG2 LYS 85 - HB2 LYS 75 OK 11 51 - 23 - 3071/3.0=2, ~3464=1, 4.8/3076=1 HG3 ARG 69 - HB2 LYS 75 OK 11 48 - 24 - 3944/4.6=2, 2818/1.8=2...(9) HG3 ARG 69 - HB2 LYS 39 poor 8 63 - 13 - 6077/4.4=1, 2818/1.8=1 HG2 LYS 85 - HB2 LYS 39 lone 6 65 - 10 - QB ALA 53 - HB2 LYS 75 lone 4 79 - 5 - QB ALA 77 - HB2 LYS 75 lone 4 46 - 9 - ~817=1, 805/4.0=1 QB ALA 78 - HB2 LYS 75 lone 3 72 - 4 - QB ALA 20 - HB2 LYS 39 lone 3 65 - 4 - QB ALA 78 - HB2 LYS 39 lone 2 89 - 2 - QB ALA 20 - HB2 LYS 75 lone 2 51 - 4 - QB ALA 77 - HB2 LYS 39 lone 2 60 - 3 - Peak 1848 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 5 out of 32 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.5=100 HD3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.5=100 HB3 LEU 51 + HB2 LYS 39 OK 52 90 - 58 - 3.1/5204=15, 3.1/5203=11...(17) HD3 LYS 39 + HB2 LYS 75 OK 48 87 - 56 - 3.0/1864=6, 3.0/1874=5...(26) HD2 LYS 39 + HB2 LYS 75 OK 48 87 - 56 - 3.0/1864=6, 3.0/1874=5...(26) HG3 ARG 54 - HB2 LYS 39 OK 35 99 - 36 - 1869/2.9=3, 1879/2.9=3...(17) HD2 LYS 73 - HB2 LYS 39 OK 25 65 - 39 - 1838/3.0=2, 1894=2...(9) HD3 LYS 73 - HB2 LYS 39 OK 25 65 - 39 - 1838/3.0=2, 1894=2...(9) HG LEU 86 - HB2 LYS 39 OK 24 92 - 26 - 2.1/5111=4, ~5206=3...(7) HD2 LYS 73 - HB2 LYS 75 OK 21 51 - 41 - 1.8/2923=1, 1894=1...(9) HD3 LYS 73 - HB2 LYS 75 OK 21 51 - 41 - 1.8/2923=1, 1894=1...(9) HB3 LEU 86 - HB2 LYS 39 OK 19 83 - 23 - 3.1/5111=3, ~5206=2...(7) HB3 LEU 62 - HB2 LYS 39 OK 17 100 - 17 - 1839/3.0=1, 1869/2.9=1...(5) HD2 LYS 32 - HB2 LYS 39 OK 17 65 - 26 - 1868/2.9=1, 1894=1...(4) HD3 LYS 32 - HB2 LYS 39 OK 17 60 - 28 - 1868/2.9=1, 1878/2.9=1 HB3 LEU 51 - HB2 LYS 75 OK 14 73 - 19 - 3.1/5204=5, 3.1/5203=4...(6) HG LEU 62 - HB2 LYS 39 OK 14 89 - 16 - ~4896=1, 2.1/5110=1, ~5119=1 HG3 ARG 84 - HB2 LYS 39 OK 13 97 - 13 - HG2 ARG 84 - HB2 LYS 39 OK 13 97 - 13 - HB3 LEU 29 - HB2 LYS 39 OK 11 100 - 11 - 3.1/5111=1 HB3 LEU 29 - HB2 LYS 75 lone 9 87 - 10 - HD2 LYS 32 - HB2 LYS 75 poor 9 51 - 17 - HD3 LYS 32 - HB2 LYS 75 poor 8 46 - 17 - HG2 ARG 84 - HB2 LYS 75 lone 5 82 - 6 - HG3 ARG 84 - HB2 LYS 75 lone 5 82 - 6 - HG3 ARG 54 - HB2 LYS 75 lone 4 85 - 5 - HB3 LEU 62 - HB2 LYS 75 lone 3 86 - 4 - HG LEU 86 - HB2 LYS 75 lone 3 75 - 4 - HG3 ARG 70 - HB2 LYS 75 lone 3 46 - 6 - 4.9/3976=1 HB3 LEU 86 - HB2 LYS 75 lone 3 66 - 4 - HG LEU 62 - HB2 LYS 75 lone 2 72 - 3 - HG3 ARG 70 - HB2 LYS 39 lone 1 60 - 2 - Peak 1849 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 5 out of 28 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.5=100 HD2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.5=100 HB3 LEU 51 + HB2 LYS 39 OK 51 89 - 58 - 3.1/5204=15, 3.1/5203=11...(17) HD3 LYS 39 + HB2 LYS 75 OK 48 87 - 56 - 3.0/1864=6, 3.0/1874=5...(26) HD2 LYS 39 + HB2 LYS 75 OK 48 87 - 56 - 3.0/1864=6, 3.0/1874=5...(26) HG3 ARG 54 - HB2 LYS 39 OK 35 99 - 36 - 1869/2.9=3, 1879/2.9=3...(17) HD2 LYS 73 - HB2 LYS 39 OK 24 63 - 39 - 1838/3.0=2, 1894=2...(9) HD3 LYS 73 - HB2 LYS 39 OK 24 63 - 39 - 1838/3.0=2, 1894=2...(9) HG LEU 86 - HB2 LYS 39 OK 24 90 - 26 - 2.1/5111=4, ~5206=3...(7) HB3 LEU 86 - HB2 LYS 39 OK 20 85 - 23 - 3.1/5111=3, ~5206=2...(7) HD2 LYS 73 - HB2 LYS 75 OK 20 48 - 41 - 1.8/2923=1, 1894=1...(9) HD3 LYS 73 - HB2 LYS 75 OK 20 48 - 41 - 1.8/2923=1, 1894=1...(9) HB3 LEU 62 - HB2 LYS 39 OK 17 99 - 17 - 1839/3.0=1, 1869/2.9=1...(5) HD2 LYS 32 - HB2 LYS 39 OK 17 63 - 26 - 1868/2.9=1, 1894=1...(4) HG LEU 62 - HB2 LYS 39 OK 14 90 - 16 - ~4896=1, 2.1/5110=1...(4) HB3 LEU 51 - HB2 LYS 75 OK 14 72 - 19 - 3.1/5204=5, 3.1/5203=4...(6) HG3 ARG 84 - HB2 LYS 39 OK 13 97 - 13 - HG2 ARG 84 - HB2 LYS 39 OK 13 97 - 13 - HB3 LEU 29 - HB2 LYS 39 OK 11 100 - 11 - 3.1/5111=1 HB3 LEU 29 - HB2 LYS 75 lone 9 87 - 10 - HD2 LYS 32 - HB2 LYS 75 poor 8 48 - 17 - HG2 ARG 84 - HB2 LYS 75 lone 5 81 - 6 - HG3 ARG 84 - HB2 LYS 75 lone 5 81 - 6 - HG3 ARG 54 - HB2 LYS 75 lone 4 85 - 5 - HB3 LEU 62 - HB2 LYS 75 lone 3 85 - 4 - HG LEU 86 - HB2 LYS 75 lone 3 73 - 4 - HB3 LEU 86 - HB2 LYS 75 lone 3 68 - 4 - HG LEU 62 - HB2 LYS 75 lone 2 73 - 3 - Peak 1850 from cnoeabs.peaks (2.98, 1.85, 32.41 ppm; 4.94 A): 9 out of 22 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 73 73 - 100 - 5.0=99, 2.9/3118=6...(45) HE3 LYS 75 + HB2 LYS 75 OK 71 72 - 100 - 5.0=99, 2.9/3118=6...(45) HE2 LYS 75 + HB2 LYS 39 OK 65 90 - 72 - 1870/2.9=5, 1880/2.9=4...(49) HE3 LYS 75 + HB2 LYS 39 OK 64 89 - 72 - 1870/2.9=5, 1880/2.9=4...(49) HE3 LYS 39 + HB2 LYS 75 OK 48 87 - 56 - 3.6/1864=8, 3.6/1874=7...(18) HE2 LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 3.6/1864=8, 3.6/1874=7...(20) HE2 LYS 13 + HB2 LYS 39 OK 45 97 - 46 - 1871/2.9=3, 1881/2.9=3...(17) HE3 LYS 13 - HB2 LYS 39 OK 45 97 - 46 - 1871/2.9=3, 1881/2.9=3...(17) HE2 LYS 13 - HB2 LYS 75 OK 44 82 - 54 - ~3073=3, ~3072=3...(36) HE3 LYS 13 - HB2 LYS 75 OK 43 81 - 53 - ~3073=3, ~3072=3...(36) HE2 LYS 73 - HB2 LYS 39 OK 31 73 - 42 - 1870/2.9=2, 1880/2.9=2...(13) HE3 LYS 73 - HB2 LYS 39 OK 30 71 - 42 - 1870/2.9=2, 1880/2.9=2...(13) HE3 LYS 32 - HB2 LYS 39 OK 27 76 - 35 - 1870/2.9=2, 1880/2.9=2...(10) HE2 LYS 32 - HB2 LYS 39 OK 26 73 - 35 - 1870/2.9=2, 1880/2.9=2...(10) HE2 LYS 73 - HB2 LYS 75 OK 22 58 - 39 - 3075/3.0=2, ~3075=2...(7) HE3 LYS 73 - HB2 LYS 75 OK 21 55 - 39 - 3075/3.0=2, ~3075=2...(7) HE3 LYS 32 - HB2 LYS 75 OK 13 60 - 22 - 3075/3.0=1, ~3075=1 HE2 LYS 32 - HB2 LYS 75 OK 13 58 - 22 - 3075/3.0=1, ~3075=1 HB3 TYR 81 - HB2 LYS 39 OK 12 100 - 12 - ~4684=4, ~4683=2, 4948/5204=1 HB3 TYR 81 - HB2 LYS 75 lone 5 87 - 6 - ~4685=2, ~4683=1 Peak 1851 from cnoeabs.peaks (2.98, 1.85, 32.41 ppm; 4.94 A): 8 out of 22 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 70 70 - 100 - 5.0=99, 2.9/3128=6...(45) HE3 LYS 75 + HB2 LYS 75 OK 68 68 - 100 - 5.0=99, 2.9/3128=6...(45) HE2 LYS 75 + HB2 LYS 39 OK 62 87 - 72 - 1870/2.9=5, 1880/2.9=4...(49) HE3 LYS 75 + HB2 LYS 39 OK 61 85 - 72 - 1870/2.9=5, 1880/2.9=4...(49) HE3 LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 3.6/1864=8, 3.6/1874=7...(18) HE2 LYS 39 + HB2 LYS 75 OK 48 87 - 55 - 3.6/1864=8, 3.6/1874=7...(18) HE2 LYS 13 - HB2 LYS 39 OK 44 96 - 46 - 1871/2.9=3, 1881/2.9=3...(17) HE3 LYS 13 - HB2 LYS 39 OK 44 95 - 46 - 1871/2.9=3, 1881/2.9=3...(17) HE2 LYS 13 - HB2 LYS 75 OK 42 79 - 53 - ~3073=3, ~3072=3...(36) HE3 LYS 13 - HB2 LYS 75 OK 41 78 - 53 - ~3073=3, ~3072=3...(36) HE2 LYS 73 - HB2 LYS 39 OK 28 68 - 42 - 1870/2.9=2, 1880/2.9=2...(13) HE3 LYS 73 - HB2 LYS 39 OK 27 65 - 42 - 1870/2.9=2, 1880/2.9=2...(13) HE3 LYS 32 - HB2 LYS 39 OK 25 71 - 35 - 1870/2.9=2, 1880/2.9=2...(10) HE2 LYS 32 - HB2 LYS 39 OK 24 68 - 35 - 1870/2.9=2, 1880/2.9=2...(10) HE2 LYS 73 - HB2 LYS 75 OK 20 53 - 39 - ~3075=2, 3075/3.0=2...(7) HE3 LYS 73 - HB2 LYS 75 OK 20 51 - 39 - ~3075=2, 3075/3.0=2...(7) HE3 LYS 32 - HB2 LYS 75 OK 12 55 - 22 - ~3075=1 HB3 TYR 81 - HB2 LYS 39 OK 12 100 - 12 - ~4684=4, ~4683=2, 4948/5204=1 HE2 LYS 32 - HB2 LYS 75 OK 12 53 - 22 - ~3075=1 HB3 TYR 81 - HB2 LYS 75 lone 5 87 - 6 - ~4685=2, ~4683=1 Peak 1852 from cnoeabs.peaks (7.39, 1.78, 32.41 ppm; 4.53 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.0=100 H LYS 39 + HB3 LYS 75 OK 52 93 - 56 - 1842/1.8=11, 594=8...(16) H LEU 64 - HB3 LYS 39 OK 31 65 - 47 - 1862/2.9=9, 1872/2.9=9...(14) H LYS 39 - HB3 LYS 73 OK 22 100 - 22 - 594=3, 3.0/1835=2...(9) H LYS 39 - HB2 LYS 13 OK 17 99 - 17 - 3.0/1835=3, 594=2...(8) H LYS 39 - HB2 LYS 85 poor 9 75 - 12 - 594=1, 3.0/1835=1 H LYS 39 - HB2 LYS 83 lone 8 94 - 8 - 594=1 H LEU 64 - HB3 LYS 75 poor 6 56 - 10 - 1842/1.8=1, 261/4.6=1, 728/3.0=1 H LEU 64 - HB3 LYS 73 lone 5 64 - 7 - H LEU 64 - HB2 LYS 13 lone 4 63 - 6 - H LEU 64 - HB2 LYS 83 lone 3 57 - 5 - H LEU 64 - HB2 LYS 85 lone 1 42 - 3 - Peak 1853 from cnoeabs.peaks (4.25, 1.78, 32.41 ppm; 3.23 A): 6 out of 84 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 83 + HB2 LYS 83 OK 92 92 - 100 - 3.0=100 HA LYS 75 + HB3 LYS 75 OK 91 91 - 100 - 3.0=100 HA LYS 85 + HB2 LYS 85 OK 53 53 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 75 OK 45 93 - 49 - 1835=7, 1834/1.8=7...(19) HA LYS 75 + HB3 LYS 39 OK 45 99 - 46 - 3069=7, 3068/1.8=7...(21) HA LYS 75 - HB3 LYS 73 OK 36 99 - 37 - 3069=5, 3068/1.8=4...(9) HA LEU 64 - HB3 LYS 39 OK 30 97 - 31 - 2616/2.9=4, 1873/2.9=4...(17) HA LYS 75 - HB2 LYS 13 OK 29 98 - 30 - 3069=5, 3073/1.8=3...(11) HA LYS 85 - HB3 LYS 73 OK 22 79 - 28 - 3279=2, 3.0/3299=2...(6) HA LYS 75 - HB2 LYS 85 OK 22 73 - 30 - 3069=4, 3066/4.0=3...(9) HA LYS 83 - HB2 LYS 85 OK 20 72 - 29 - 3280/1.8=3, ~3297=3...(12) HA LYS 39 - HB2 LYS 13 OK 20 99 - 20 - 1835=3, 1837/3.0=2...(4) HA LYS 39 - HB3 LYS 73 OK 18 100 - 18 - 1835=3, 1837/2.9=2, 3.0/1852=1 HA ALA 12 - HB2 LYS 13 OK 17 97 - 18 - 3704/3.9=16 HA LYS 85 - HB2 LYS 83 OK 17 71 - 24 - 831/4.0=2, 3298/1.8=2...(9) HA LYS 85 - HB3 LYS 75 OK 16 70 - 24 - 3279=2, ~3066=2...(7) HA LYS 85 - HB2 LYS 13 OK 14 78 - 18 - 3279=1, 3.0/3299=1...(5) HA LYS 83 - HB3 LYS 73 OK 13 98 - 13 - 3279=1, 2.9/361=1 HA LYS 75 - HB2 LYS 83 OK 12 93 - 13 - 3069=2, 3298/1.8=1, 831/4.0=1 HA LYS 83 - HB3 LYS 75 OK 11 91 - 12 - 3279=1, 2.9/3287=1 HA ASP 38 - HB3 LYS 39 poor 10 60 - 16 - 3.6/594=6, 5592/4.4=4...(4) HA LYS 83 - HB3 LYS 39 lone 9 99 - 9 - 3279=1 HA LYS 85 - HB3 LYS 39 lone 8 81 - 10 - HA ALA 77 - HB3 LYS 75 lone 8 78 - 10 - 339/4.6=3, ~817=1 HA LYS 39 - HB2 LYS 85 lone 7 75 - 10 - 1835=1 HA LYS 39 - HB2 LYS 83 lone 7 94 - 7 - 1835=1 HA LYS 83 - HB2 LYS 13 lone 7 97 - 7 - HA GLU 19 - HB2 LYS 83 lone 6 92 - 6 - HA LEU 64 - HB3 LYS 75 lone 6 88 - 6 - HB THR 37 - HB3 LYS 39 lone 5 65 - 8 - 128/4.4=2, 592/4.0=1...(4) HA THR 15 - HB2 LYS 83 lone 5 94 - 6 - 1128/4.3=1 HA ALA 77 - HB3 LYS 73 lone 5 87 - 6 - 3988/4.3=2 HA LEU 64 - HB2 LYS 13 lone 5 95 - 5 - HA LEU 64 - HB2 LYS 83 lone 4 89 - 4 - HA LEU 64 - HB3 LYS 73 lone 3 96 - 3 - HA ALA 20 - HB3 LYS 39 lone 3 97 - 3 - HA ALA 77 - HB2 LYS 83 lone 3 79 - 4 - HA ALA 12 - HB3 LYS 39 lone 3 99 - 3 - 3.6/468=1 HA GLU 19 - HB3 LYS 39 lone 3 99 - 3 - HA ALA 20 - HB3 LYS 75 lone 3 87 - 3 - HA ALA 12 - HB3 LYS 75 lone 3 90 - 3 - 3.6/468=1 HA ALA 77 - HB2 LYS 85 lone 3 60 - 4 - HA ALA 12 - HB2 LYS 85 lone 3 72 - 4 - 3.6/468=2 HA ARG 17 - HB3 LYS 39 lone 3 63 - 4 - HA ARG 17 - HB3 LYS 73 lone 2 61 - 4 - HA THR 15 - HB3 LYS 39 lone 2 100 - 2 - HA THR 15 - HB3 LYS 73 lone 2 99 - 2 - HA ALA 77 - HB3 LYS 39 lone 2 89 - 3 - HA ALA 20 - HB2 LYS 83 lone 2 88 - 2 - HA THR 15 - HB2 LYS 85 lone 2 74 - 3 - HA ASP 38 - HB3 LYS 75 lone 2 51 - 4 - 3.6/594=3 HA GLU 19 - HB3 LYS 75 lone 2 91 - 2 - HA THR 15 - HB3 LYS 75 lone 2 92 - 2 - HA ALA 12 - HB2 LYS 83 lone 2 91 - 2 - HA GLU 19 - HB2 LYS 85 lone 2 72 - 3 - HA SER 60 - HB3 LYS 73 lone 2 61 - 3 - HA ALA 12 - HB3 LYS 73 lone 2 98 - 2 - HB THR 37 - HB3 LYS 75 lone 1 56 - 3 - HA LEU 64 - HB2 LYS 85 lone 1 70 - 2 - HA ASP 38 - HB3 LYS 73 lone 1 59 - 2 - 3.6/1852=1 HA ALA 20 - HB3 LYS 73 lone 1 95 - 1 - HA GLU 19 - HB3 LYS 73 lone 1 98 - 1 - HA SER 60 - HB3 LYS 39 lone 1 63 - 2 - HA GLU 19 - HB2 LYS 13 lone 1 97 - 1 - HA ASP 38 - HB2 LYS 13 lone 1 57 - 2 - HA ARG 17 - HB2 LYS 83 lone 1 55 - 2 - HA THR 15 - HB2 LYS 13 lone 1 98 - 1 - HB THR 37 - HB3 LYS 73 lone 1 64 - 2 - HA ALA 20 - HB2 LYS 85 lone 1 69 - 1 - HA ALA 77 - HB2 LYS 13 lone 1 86 - 1 - HB THR 37 - HB2 LYS 83 lone 1 57 - 2 - HA ALA 20 - HB2 LYS 13 lone 1 94 - 1 - HB THR 37 - HB2 LYS 13 lone 1 63 - 1 - HA ARG 17 - HB2 LYS 85 lone 1 40 - 2 - HA ARG 17 - HB3 LYS 75 lone 1 53 - 1 - HA SER 60 - HB2 LYS 13 lone 1 60 - 1 - HA SER 60 - HB3 LYS 75 lone 1 53 - 1 - HB THR 37 - HB2 LYS 85 lone 1 42 - 1 - HA ASP 38 - HB2 LYS 83 lone 1 52 - 1 - HA ARG 17 - HB2 LYS 13 lone 1 60 - 1 - HA ASP 38 - HB2 LYS 85 lone 0 38 - 1 - HA SER 60 - HB2 LYS 83 lone 0 55 - 1 - HA SER 60 - HB2 LYS 85 lone 0 40 - 1 - Peak 1854 from cnoeabs.peaks (1.85, 1.78, 32.41 ppm; 2.40 A): 2 out of 84 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 1.8=100 HB2 LYS 75 + HB3 LYS 75 OK 86 86 - 100 - 1.8=100 HB2 LYS 75 - HB3 LYS 39 OK 26 96 - 28 - 1834/3.0=3, 1864/2.9=2...(7) HB2 LYS 39 - HB3 LYS 75 OK 25 93 - 28 - 3068/3.0=2, 3.0/1835=2...(10) HB2 LYS 75 - HB3 LYS 73 OK 15 94 - 16 - 3.0/3069=1 HB2 LYS 75 - HB2 LYS 13 OK 14 93 - 15 - 3.0/3069=1, ~1011=1 HB3 PRO 34 - HB3 LYS 39 OK 11 85 - 13 - 1715=1, 129/4.4=1 HB2 LYS 39 - HB2 LYS 13 OK 11 99 - 11 - HB2 LYS 75 - HB2 LYS 85 poor 9 67 - 13 - 3.0/3069=1 HB3 ARG 23 - HB3 LYS 39 lone 9 99 - 9 - HB2 ARG 23 - HB3 LYS 39 lone 9 99 - 9 - HB2 LYS 39 - HB3 LYS 73 lone 9 100 - 9 - HB2 LYS 75 - HB2 LYS 83 lone 5 87 - 6 - HB2 ARG 71 - HB3 LYS 75 lone 4 93 - 4 - HB3 ARG 71 - HB3 LYS 75 lone 4 93 - 4 - HB2 LYS 39 - HB2 LYS 85 lone 4 75 - 5 - HB3 ARG 71 - HB3 LYS 73 lone 4 99 - 4 - HB2 ARG 71 - HB3 LYS 73 lone 4 99 - 4 - HB3 ARG 71 - HB3 LYS 39 lone 4 100 - 4 - HB2 ARG 71 - HB3 LYS 39 lone 4 100 - 4 - HB2 LYS 39 - HB2 LYS 83 lone 4 94 - 4 - HB3 ARG 23 - HB3 LYS 75 lone 3 91 - 3 - HB2 ARG 23 - HB3 LYS 75 lone 3 90 - 3 - HB3 ARG 27 - HB3 LYS 39 lone 3 100 - 3 - HB2 ARG 27 - HB3 LYS 39 lone 3 100 - 3 - HB2 ARG 17 - HB3 LYS 39 lone 2 92 - 2 - HB2 ARG 17 - HB3 LYS 73 lone 2 90 - 2 - HB2 ARG 27 - HB3 LYS 75 lone 2 93 - 2 - HB3 ARG 27 - HB3 LYS 75 lone 2 93 - 2 - HB2 ARG 66 - HB3 LYS 39 lone 1 81 - 2 - HB3 ARG 23 - HB2 LYS 13 lone 1 97 - 1 - HB3 PRO 34 - HB3 LYS 73 lone 1 83 - 1 - HB2 ARG 23 - HB2 LYS 13 lone 1 97 - 1 - HB3 PRO 34 - HB2 LYS 13 lone 1 82 - 1 - HB3 ARG 23 - HB3 LYS 73 lone 1 98 - 1 - HB2 ARG 23 - HB3 LYS 73 lone 1 98 - 1 - HB3 ARG 27 - HB3 LYS 73 lone 1 99 - 1 - HB2 ARG 27 - HB3 LYS 73 lone 1 99 - 1 - HB2 ARG 17 - HB3 LYS 75 lone 1 82 - 1 - HB2 ARG 71 - HB2 LYS 85 lone 1 75 - 1 - HB3 ARG 71 - HB2 LYS 85 lone 1 75 - 1 - HB2 ARG 26 - HB3 LYS 39 lone 1 71 - 1 - HB3 ARG 71 - HB2 LYS 13 lone 1 99 - 1 - HB2 ARG 71 - HB2 LYS 13 lone 1 99 - 1 - HB3 ARG 26 - HB3 LYS 39 lone 1 68 - 1 - HB3 ARG 71 - HB2 LYS 83 lone 1 94 - 1 - HB2 ARG 71 - HB2 LYS 83 lone 1 94 - 1 - HB3 PRO 34 - HB3 LYS 75 lone 1 74 - 1 - HB3 ARG 27 - HB2 LYS 13 lone 1 99 - 1 - HB2 ARG 27 - HB2 LYS 13 lone 1 99 - 1 - HB2 ARG 17 - HB2 LYS 85 lone 1 63 - 1 - HB2 ARG 66 - HB3 LYS 73 lone 1 79 - 1 - HB2 ARG 66 - HB2 LYS 13 lone 1 78 - 1 - HB2 ARG 17 - HB2 LYS 83 lone 1 83 - 1 - HB2 ARG 66 - HB3 LYS 75 lone 1 70 - 1 - HB3 PRO 34 - HB2 LYS 83 lone 1 76 - 1 - HB2 ARG 26 - HB3 LYS 73 lone 1 69 - 1 - HB3 ARG 26 - HB3 LYS 73 lone 1 67 - 1 - HB3 ARG 23 - HB2 LYS 83 lone 0 92 - 1 - HB2 ARG 23 - HB2 LYS 83 lone 0 91 - 1 - HB3 ARG 27 - HB2 LYS 83 lone 0 94 - 0 - HB2 ARG 27 - HB2 LYS 83 lone 0 94 - 0 - HB3 PRO 34 - HB2 LYS 85 lone 0 57 - 1 - HB3 ARG 27 - HB2 LYS 85 lone 0 75 - 1 - HB2 ARG 27 - HB2 LYS 85 lone 0 75 - 1 - HB2 ARG 66 - HB2 LYS 83 lone 0 71 - 1 - HB2 ARG 17 - HB2 LYS 13 lone 0 89 - 0 - HB2 MET 11 - HB3 LYS 39 lone 0 57 - 1 - HB2 ARG 66 - HB2 LYS 85 lone 0 53 - 1 - HB3 ARG 23 - HB2 LYS 85 lone 0 72 - 0 - HB2 ARG 23 - HB2 LYS 85 lone 0 72 - 0 - HB2 ARG 26 - HB2 LYS 83 lone 0 62 - 0 - HB2 ARG 26 - HB2 LYS 13 lone 0 68 - 0 - HB3 ARG 26 - HB2 LYS 13 lone 0 65 - 0 - HB2 ARG 26 - HB3 LYS 75 lone 0 61 - 0 - HB3 ARG 26 - HB2 LYS 83 lone 0 60 - 0 - HB3 ARG 26 - HB3 LYS 75 lone 0 58 - 0 - HB2 ARG 26 - HB2 LYS 85 lone 0 46 - 0 - HB3 ARG 26 - HB2 LYS 85 lone 0 44 - 0 - HB2 MET 11 - HB2 LYS 13 lone 0 55 - 0 - HB2 MET 11 - HB3 LYS 73 lone 0 56 - 0 - HB2 MET 11 - HB3 LYS 75 lone 0 49 - 0 - HB2 MET 11 - HB2 LYS 83 lone 0 50 - 0 - HB2 MET 11 - HB2 LYS 85 lone 0 36 - 0 - Peak 1855 from cnoeabs.peaks (1.78, 1.78, 32.41 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 99 99 - 100 HB2 LYS 13 + HB2 LYS 13 OK 97 97 - 100 HB2 LYS 83 + HB2 LYS 83 OK 94 94 - 100 HB3 LYS 75 + HB3 LYS 75 OK 92 92 - 100 HB2 LYS 85 + HB2 LYS 85 OK 55 55 - 100 Peak 1856 from cnoeabs.peaks (1.55, 1.78, 32.41 ppm; 6.50 A): 6 out of 48 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB3 LYS 75 OK 83 93 - 90 - 1864/1.8=11, 1863/3.0=11...(58) HG LEU 64 + HB3 LYS 39 OK 82 99 - 83 - ~5206=12, ~5111=11...(27) HB3 ARG 54 + HB3 LYS 39 OK 79 100 - 79 - 5306/4.4=12, ~4967=9...(41) HG2 LYS 39 + HB3 LYS 73 OK 56 100 - 56 - 4.9/1852=3, 1867/2.9=3...(19) HG2 LYS 39 + HB2 LYS 13 OK 52 99 - 52 - ~1013=5, ~1021=4...(23) HB3 LEU 86 - HB3 LYS 39 OK 45 92 - 49 - ~5206=6, ~5111=5...(23) HG3 ARG 54 - HB3 LYS 39 OK 39 63 - 63 - ~1876=6, ~1836=6...(29) HG3 ARG 23 - HB3 LYS 39 OK 39 99 - 39 - 1836/3.0=4, ~1864=3...(17) HG LEU 62 - HB3 LYS 39 OK 31 87 - 36 - ~4896=3, 6076/4.4=3...(16) HB3 ARG 54 - HB3 LYS 73 OK 27 100 - 27 - ~5061=5, ~4967=3...(5) HG2 LYS 39 - HB2 LYS 85 OK 25 75 - 33 - 861/4.6=3, 1863/3.0=2...(7) HG LEU 64 - HB3 LYS 75 OK 24 90 - 26 - ~5111=3, ~5027=2...(8) HG LEU 62 - HB3 LYS 73 OK 23 85 - 27 - ~5005=3, ~5255=2...(10) HG2 LYS 39 - HB2 LYS 83 OK 22 94 - 23 - 1863/3.0=3, ~1873=2...(7) HG LEU 64 - HB2 LYS 13 OK 22 97 - 23 - 5793/4.8=4, ~5029=2...(7) HG2 ARG 82 - HB3 LYS 73 OK 22 81 - 27 - 5.0/3287=4, ~3235=3...(7) HG2 ARG 82 - HB2 LYS 83 OK 21 73 - 29 - 5.0/832=14, 5.0/5476=2...(9) HB3 LEU 86 - HB3 LYS 73 OK 21 90 - 23 - ~5255=2, 4.0/999=2...(6) HB3 LEU 86 - HB2 LYS 85 OK 19 63 - 30 - 861/4.6=19, ~1513=1, ~5255=1 HG2 ARG 82 - HB3 LYS 39 OK 19 83 - 22 - 5.0/3287=2, ~5480=2...(8) HB3 ARG 54 - HB3 LYS 75 OK 17 93 - 18 - ~4967=2, ~5061=2, 4.1/676=1 HG3 ARG 23 - HB3 LYS 75 OK 16 91 - 17 - ~3068=1, ~3073=1, ~3072=1 HG LEU 64 - HB2 LYS 83 OK 14 91 - 15 - ~5027=1, ~2648=1...(4) HG LEU 64 - HB3 LYS 73 OK 12 98 - 13 - HB3 LEU 86 - HB2 LYS 13 OK 10 89 - 12 - 4.0/386=2 HG3 ARG 54 - HB3 LYS 73 OK 10 61 - 17 - 3.7/2301=2, 4.9/676=2, 4.8/212=1 HG3 ARG 23 - HB3 LYS 73 lone 9 98 - 9 - HG LEU 62 - HB2 LYS 13 poor 9 84 - 11 - 5793/4.8=1 HB3 LEU 86 - HB3 LYS 75 poor 9 82 - 11 - 4.0/386=2 HB3 ARG 54 - HB2 LYS 13 lone 9 99 - 9 - HG3 ARG 23 - HB2 LYS 13 lone 9 97 - 9 - HG2 ARG 82 - HB2 LYS 13 poor 9 80 - 11 - 5.0/3287=1 HG2 ARG 82 - HB3 LYS 75 poor 8 72 - 11 - 5.0/3287=3 HG LEU 62 - HB2 LYS 85 poor 7 59 - 12 - 861/4.6=5 HG LEU 62 - HB3 LYS 75 lone 7 76 - 9 - HG LEU 64 - HB2 LYS 85 lone 7 72 - 10 - 861/4.6=2 HB3 LEU 86 - HB2 LYS 83 lone 7 83 - 8 - 4.0/386=2 HB3 ARG 54 - HB2 LYS 83 lone 7 94 - 7 - HG2 ARG 82 - HB2 LYS 85 poor 6 55 - 12 - 5.0/3287=4 HG3 ARG 54 - HB3 LYS 75 poor 6 53 - 11 - HB3 ARG 54 - HB2 LYS 85 lone 5 75 - 6 - HG3 ARG 23 - HB2 LYS 83 lone 5 92 - 5 - HG LEU 62 - HB2 LYS 83 lone 4 77 - 6 - HG3 ARG 54 - HB2 LYS 13 lone 4 60 - 7 - HG3 ARG 23 - HB2 LYS 85 lone 4 72 - 5 - HG3 ARG 54 - HB2 LYS 83 lone 3 55 - 6 - HG3 ARG 54 - HB2 LYS 85 lone 2 40 - 5 - Peak 1857 from cnoeabs.peaks (1.40, 1.78, 32.41 ppm; 3.03 A): 5 out of 72 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 87 87 - 100 - 2.9=100 HG2 LYS 13 + HB2 LYS 13 OK 82 82 - 100 - 3.0=100 HG2 LYS 75 + HB3 LYS 75 OK 82 82 - 100 - 2.7=100 HG3 LYS 75 + HB3 LYS 75 OK 82 82 - 100 - 2.7=100 HG3 LYS 75 - HB3 LYS 39 OK 45 92 - 49 - 1867/2.9=4, 1837/3.0=4...(18) HG2 LYS 75 - HB3 LYS 39 OK 45 92 - 49 - 1867/2.9=4, 1837/3.0=4...(18) HG2 LYS 85 - HB2 LYS 85 OK 42 42 - 100 - 2.9=100 HG3 LYS 39 - HB3 LYS 75 OK 39 93 - 43 - 1874/1.8=4, 1873/3.0=4...(13) HG2 LYS 75 - HB3 LYS 73 OK 31 90 - 35 - 3.9/3069=2, 3098/1.8=1...(9) HG3 LYS 75 - HB3 LYS 73 OK 31 90 - 35 - 3.9/3069=2, 3098/1.8=1...(9) HG3 LYS 75 - HB2 LYS 13 OK 27 89 - 31 - 3.9/3069=2, ~1011=1...(6) HG2 LYS 75 - HB2 LYS 13 OK 27 89 - 31 - 3.9/3069=2, ~1011=1...(6) HB3 ARG 69 - HB3 LYS 73 OK 25 96 - 26 - 2802/1.8=3, 2802=2...(8) HB3 ARG 69 - HB3 LYS 75 OK 22 88 - 25 - 2802=3, 3942/4.6=2...(10) HG2 LYS 13 - HB3 LYS 75 OK 22 74 - 29 - 1021=3, 3.0/1011=2...(6) HG3 LYS 73 - HB3 LYS 75 OK 21 78 - 28 - 3071/3.0=2, 1.8/2991=2...(6) HG2 LYS 13 - HB3 LYS 39 OK 18 85 - 21 - 1021=2, 3.0/1011=2...(4) HG3 LYS 73 - HB3 LYS 39 OK 17 89 - 19 - 1867/2.9=2, 1837/3.0=2 HG3 LYS 39 - HB3 LYS 73 OK 17 100 - 17 - 1.8/1865=1, 1875=1 HG3 LYS 39 - HB2 LYS 13 OK 17 99 - 17 - 1875=1, 1013/1.8=1, 1.8/1865=1 HG2 LYS 13 - HB3 LYS 73 OK 16 83 - 20 - 1021=2, 3.0/1011=2, 1024/2.9=1 HG3 LYS 75 - HB2 LYS 85 OK 15 63 - 23 - 3.9/3069=1, ~3447=1 HG2 LYS 75 - HB2 LYS 85 OK 15 63 - 23 - 3.9/3069=1, ~3447=1 HB3 ARG 69 - HB3 LYS 39 OK 15 97 - 15 - 2802=1, 6077/4.4=1...(4) HB3 ARG 69 - HB2 LYS 13 OK 14 95 - 15 - 2802=2, ~4819=1, ~1011=1...(5) HG2 LYS 85 - HB3 LYS 73 OK 14 64 - 22 - 2.9/3299=1, 3000/1.8=1 HG3 LYS 73 - HB2 LYS 13 OK 13 86 - 15 - ~1014=1 HG3 ARG 69 - HB3 LYS 73 OK 13 61 - 21 - 2818/1.8=1, 3.0/2802=1...(7) QB ALA 53 - HB3 LYS 39 OK 12 96 - 13 - 3.6/676=2, 1837/3.0=1...(6) HG2 LYS 13 - HB2 LYS 85 OK 12 57 - 21 - 1021=2, 3.0/1011=2...(4) HG3 LYS 73 - HB2 LYS 85 OK 11 60 - 19 - ~3448=1 HG2 LYS 85 - HB2 LYS 13 OK 11 63 - 18 - ~1014=2, 2.9/3299=1, ~1030=1 HG3 ARG 69 - HB3 LYS 75 OK 11 53 - 20 - 3.0/2802=2, 1.8/2810=2...(7) HB3 ARG 69 - HB2 LYS 85 OK 10 70 - 14 - 2802=2, 3.0/2818=1 HG2 LYS 85 - HB2 LYS 83 poor 10 57 - 17 - ~3448=2, 2.9/3299=1 HG2 LYS 85 - HB3 LYS 75 poor 9 56 - 17 - 2.9/3299=1, 3071/3.0=1 QB ALA 53 - HB3 LYS 73 lone 9 94 - 10 - 2297/3.0=1, 2.9/4963=1 HG3 LYS 75 - HB2 LYS 83 lone 8 83 - 10 - HG2 LYS 75 - HB2 LYS 83 lone 8 83 - 10 - HG3 ARG 69 - HB3 LYS 39 poor 7 63 - 11 - HG3 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HG3 LYS 73 - HB2 LYS 83 lone 6 79 - 8 - HG3 ARG 69 - HB2 LYS 13 lone 6 60 - 9 - 3.0/2802=1 HG3 LYS 39 - HB2 LYS 83 lone 6 94 - 6 - QB ALA 78 - HB3 LYS 73 lone 5 87 - 6 - HG2 LYS 85 - HB3 LYS 39 lone 5 65 - 7 - HG3 ARG 69 - HB2 LYS 85 poor 5 40 - 11 - 3.0/2802=1, 1.8/2810=1 HB3 ARG 69 - HB2 LYS 83 lone 5 89 - 5 - HG2 LYS 13 - HB2 LYS 83 lone 4 76 - 5 - QB ALA 53 - HB3 LYS 75 lone 3 86 - 4 - QB ALA 77 - HB3 LYS 73 lone 3 59 - 5 - 3185/4.3=2 QB ALA 77 - HB3 LYS 75 lone 3 51 - 6 - QB ALA 78 - HB3 LYS 75 lone 3 78 - 3 - HG3 ARG 69 - HB2 LYS 83 lone 2 55 - 4 - QB ALA 20 - HB3 LYS 39 lone 2 65 - 3 - QB ALA 78 - HB2 LYS 85 lone 2 60 - 3 - QB ALA 77 - HB2 LYS 83 lone 2 52 - 3 - QB ALA 78 - HB2 LYS 83 lone 2 79 - 2 - QB ALA 78 - HB3 LYS 39 lone 2 89 - 2 - QB ALA 53 - HB2 LYS 13 lone 1 93 - 2 - QB ALA 77 - HB2 LYS 85 lone 1 38 - 4 - QB ALA 20 - HB3 LYS 75 lone 1 56 - 2 - QB ALA 53 - HB2 LYS 85 lone 1 67 - 2 - QB ALA 77 - HB3 LYS 39 lone 1 60 - 2 - QB ALA 53 - HB2 LYS 83 lone 1 87 - 1 - QB ALA 20 - HB2 LYS 83 lone 1 57 - 2 - QB ALA 20 - HB3 LYS 73 lone 1 64 - 1 - QB ALA 78 - HB2 LYS 13 lone 1 86 - 1 - QB ALA 20 - HB2 LYS 85 lone 1 42 - 1 - QB ALA 77 - HB2 LYS 13 lone 0 57 - 1 - QB ALA 20 - HB2 LYS 13 lone 0 63 - 1 - Peak 1858 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.66 A): 8 out of 96 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.5=100 HB3 LEU 51 + HB3 LYS 39 OK 64 90 - 71 - ~5204=16, 3.1/5205=15...(17) HD2 LYS 73 + HB3 LYS 73 OK 64 64 - 100 - 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 64 64 - 100 - 3.5=100 HD3 LYS 39 + HB3 LYS 75 OK 62 93 - 67 - ~1864=6, 3.0/1865=5...(30) HD2 LYS 39 + HB3 LYS 75 OK 62 93 - 67 - ~1864=6, 3.0/1865=5...(30) HG3 ARG 54 + HB3 LYS 39 OK 50 99 - 51 - 1.8/2325=4, ~2326=4...(25) HD3 LYS 39 - HB3 LYS 73 OK 35 99 - 35 - 3.0/1865=3, 3.0/1875=2...(5) HD2 LYS 39 - HB3 LYS 73 OK 35 100 - 35 - 3.0/1865=3, 3.0/1875=2...(5) HG3 ARG 84 - HB3 LYS 73 OK 33 96 - 34 - ~3376=2, ~3378=2...(10) HG2 ARG 84 - HB3 LYS 73 OK 33 96 - 34 - ~3376=2, ~3378=2...(10) HD2 LYS 32 - HB3 LYS 73 OK 32 64 - 50 - 3.0/1587=3, 3.0/1597=3...(21) HB3 LEU 29 - HB3 LYS 73 OK 32 99 - 32 - ~1484=3, 1491/3.0=2...(13) HD3 LYS 73 - HB3 LYS 39 OK 31 65 - 47 - 1838/3.0=2, 2.9/2982=2...(21) HD2 LYS 73 - HB3 LYS 39 OK 31 65 - 47 - 1838/3.0=2, 2.9/2982=2...(21) HD2 LYS 73 - HB3 LYS 75 OK 30 56 - 55 - ~2972=3, 2.9/2982=3...(33) HD3 LYS 73 - HB3 LYS 75 OK 30 56 - 55 - ~2972=3, 2.9/2982=3...(33) HG LEU 86 - HB3 LYS 39 OK 30 92 - 33 - ~5206=4, ~5111=4...(13) HD3 LYS 32 - HB3 LYS 73 OK 29 59 - 51 - 3.0/1586=3, 3.0/1597=3...(21) HD3 LYS 39 - HB2 LYS 13 OK 26 99 - 26 - ~1013=2, 3.0/1875=2...(7) HD2 LYS 39 - HB2 LYS 13 OK 25 99 - 26 - ~1013=2, 3.0/1875=2...(7) HB3 LEU 86 - HB3 LYS 39 OK 25 83 - 31 - ~5206=3, ~5111=3...(14) HB3 LEU 62 - HB3 LYS 39 OK 23 100 - 23 - 1839/3.0=2, 598/4.0=2...(7) HD2 LYS 32 - HB3 LYS 39 OK 21 65 - 32 - 3.0/1597=1, 3.0/1586=1...(6) HD3 LYS 32 - HB3 LYS 39 OK 21 60 - 35 - 3.0/1596=1, 3.0/1586=1...(5) HG3 ARG 84 - HB2 LYS 85 OK 21 70 - 30 - 3.0/3378=3, ~3385=3...(11) HG2 ARG 84 - HB2 LYS 85 OK 21 70 - 30 - 3.0/3378=3, ~3385=3...(11) HB3 LEU 51 - HB3 LYS 75 OK 20 80 - 25 - 3.1/5205=6, ~5204=5...(7) HG2 ARG 84 - HB2 LYS 83 OK 20 89 - 22 - 5.0/368=5, 5896/4.0=3...(6) HG3 ARG 84 - HB2 LYS 83 OK 20 89 - 22 - 5.0/368=5, 5896/4.0=3...(6) HG LEU 62 - HB3 LYS 39 OK 19 89 - 21 - ~4896=2, ~5119=2...(8) HB3 LEU 29 - HB2 LYS 13 OK 18 99 - 18 - ~1487=2, 1494/1.8=1...(5) HD3 LYS 73 - HB2 LYS 13 OK 17 63 - 28 - ~1014=2, 2.9/2982=1...(5) HD2 LYS 73 - HB2 LYS 13 OK 17 63 - 28 - ~1014=2, 2.9/2982=1...(5) HG2 ARG 84 - HB3 LYS 39 OK 17 97 - 17 - 1839/3.0=1 HG3 ARG 84 - HB3 LYS 39 OK 17 97 - 17 - 1839/3.0=1 HB3 LEU 51 - HB3 LYS 73 OK 16 89 - 18 - 3.1/5205=5, ~5255=2...(5) HB3 LEU 62 - HB3 LYS 73 OK 16 99 - 16 - ~5005=1, 1491/3.0=1...(4) HD3 LYS 73 - HB2 LYS 85 OK 16 42 - 38 - ~3448=2, ~3447=2...(12) HD2 LYS 73 - HB2 LYS 85 OK 16 42 - 38 - ~3448=2, ~3447=2...(12) HG LEU 62 - HB3 LYS 73 OK 14 87 - 16 - ~5005=2, ~5255=1...(5) HB3 LEU 29 - HB3 LYS 39 OK 13 100 - 13 - ~5206=1, ~5111=1 HB3 LEU 29 - HB2 LYS 85 OK 13 75 - 18 - 861/4.6=4, ~6062=1 HD2 LYS 32 - HB3 LYS 75 OK 13 56 - 23 - HG LEU 86 - HB3 LYS 73 OK 13 90 - 14 - ~5255=1, ~5257=1, ~5262=1 HB3 LEU 29 - HB3 LYS 75 OK 12 93 - 13 - 1490/4.6=1 HD3 LYS 32 - HB3 LYS 75 OK 12 51 - 24 - HB3 LEU 29 - HB2 LYS 83 OK 12 94 - 13 - 5896/4.0=2, 844/4.3=1, ~6062=1 HD2 LYS 39 - HB2 LYS 83 OK 12 94 - 12 - 5896/4.0=2 HD3 LYS 39 - HB2 LYS 83 OK 12 94 - 12 - 5896/4.0=2 HG3 ARG 54 - HB3 LYS 73 OK 12 98 - 12 - 3.7/2301=1, 4.9/676=1 HB3 LEU 86 - HB3 LYS 73 OK 11 81 - 14 - ~5255=1, 4.0/386=1 HD3 LYS 39 - HB2 LYS 85 OK 11 75 - 15 - 861/4.6=1, 3.0/1865=1 HD2 LYS 39 - HB2 LYS 85 OK 11 75 - 15 - 861/4.6=1, 3.0/1865=1 HB3 LEU 86 - HB2 LYS 85 OK 10 55 - 19 - 861/4.6=11 HD2 LYS 73 - HB2 LYS 83 poor 10 57 - 17 - 5896/4.0=3 HD3 LYS 73 - HB2 LYS 83 poor 10 57 - 17 - 5896/4.0=3 HG LEU 86 - HB2 LYS 85 poor 10 63 - 15 - 5894/4.6=7 HD2 LYS 32 - HB2 LYS 13 poor 7 63 - 12 - HG3 ARG 84 - HB3 LYS 75 lone 7 88 - 8 - HG2 ARG 84 - HB3 LYS 75 lone 7 88 - 8 - HG3 ARG 70 - HB3 LYS 73 poor 7 59 - 12 - 4.0/5984=4, 4.9/297=2, 791/4.0=1 HG3 ARG 54 - HB3 LYS 75 lone 7 91 - 7 - HD3 LYS 32 - HB2 LYS 13 poor 7 57 - 12 - HB3 LEU 51 - HB2 LYS 13 lone 6 88 - 7 - 3.1/5205=3 HG LEU 86 - HB2 LYS 13 lone 6 89 - 7 - 5.3/386=1 HB3 LEU 62 - HB2 LYS 13 lone 6 98 - 6 - HB3 LEU 86 - HB2 LYS 13 lone 6 80 - 7 - 4.0/386=2 HG3 ARG 84 - HB2 LYS 13 lone 5 95 - 5 - HG2 ARG 84 - HB2 LYS 13 lone 5 95 - 5 - HG3 ARG 70 - HB3 LYS 75 poor 5 51 - 10 - 4.0/5984=4, 4.9/297=3 HG LEU 86 - HB3 LYS 75 lone 5 82 - 6 - 5.3/386=1 HB3 LEU 62 - HB3 LYS 75 lone 5 92 - 6 - HB3 LEU 86 - HB3 LYS 75 lone 5 72 - 6 - 4.0/386=1 HB3 LEU 62 - HB2 LYS 85 lone 5 74 - 6 - 862/4.6=2 HG3 ARG 54 - HB2 LYS 13 lone 4 97 - 4 - HG LEU 62 - HB2 LYS 13 lone 4 86 - 5 - HG LEU 62 - HB2 LYS 85 lone 4 60 - 7 - 861/4.6=3 HG LEU 86 - HB2 LYS 83 lone 4 83 - 5 - HG3 ARG 70 - HB2 LYS 85 poor 4 38 - 11 - 4.0/5984=2, 4.9/297=2 HB3 LEU 62 - HB2 LYS 83 lone 4 93 - 4 - HD2 LYS 32 - HB2 LYS 85 lone 4 42 - 9 - HG3 ARG 54 - HB2 LYS 83 lone 4 92 - 4 - HD3 LYS 32 - HB2 LYS 85 lone 4 38 - 9 - HG LEU 62 - HB3 LYS 75 lone 3 78 - 4 - HB3 LEU 86 - HB2 LYS 83 lone 3 73 - 5 - 4.0/386=1 HD2 LYS 32 - HB2 LYS 83 lone 3 57 - 5 - HB3 LEU 51 - HB2 LYS 83 lone 3 81 - 4 - HD3 LYS 32 - HB2 LYS 83 lone 3 52 - 5 - HB3 LEU 51 - HB2 LYS 85 lone 3 62 - 4 - HG3 ARG 70 - HB2 LYS 83 lone 3 52 - 5 - HG LEU 62 - HB2 LYS 83 lone 3 79 - 3 - HG3 ARG 70 - HB2 LYS 13 lone 3 57 - 4 - HG3 ARG 70 - HB3 LYS 39 lone 3 60 - 4 - HG3 ARG 54 - HB2 LYS 85 lone 2 72 - 3 - Peak 1859 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.66 A): 8 out of 84 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.5=100 HB3 LEU 51 + HB3 LYS 39 OK 63 89 - 71 - ~5204=16, 3.1/5205=15...(17) HD3 LYS 39 + HB3 LYS 75 OK 62 93 - 67 - ~1864=6, 3.0/1865=5...(30) HD2 LYS 39 + HB3 LYS 75 OK 62 93 - 67 - ~1864=6, 3.0/1865=5...(30) HD3 LYS 73 + HB3 LYS 73 OK 61 61 - 100 - 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 61 61 - 100 - 3.5=100 HG3 ARG 54 + HB3 LYS 39 OK 50 99 - 51 - 1.8/2325=4, ~2326=4...(25) HD3 LYS 39 - HB3 LYS 73 OK 35 100 - 35 - 3.0/1865=3, 3.0/1875=2...(5) HD2 LYS 39 - HB3 LYS 73 OK 35 99 - 35 - 3.0/1865=3, 3.0/1875=2...(5) HG3 ARG 84 - HB3 LYS 73 OK 32 95 - 34 - ~3376=2, ~3378=2...(10) HG2 ARG 84 - HB3 LYS 73 OK 32 95 - 34 - ~3376=2, ~3378=2...(10) HB3 LEU 29 - HB3 LYS 73 OK 32 99 - 32 - ~1484=3, 1491/3.0=2...(13) HD2 LYS 32 - HB3 LYS 73 OK 30 61 - 50 - 3.0/1586=3, 3.0/1596=3...(21) HG LEU 86 - HB3 LYS 39 OK 30 90 - 33 - ~5206=4, ~5111=4...(13) HD3 LYS 73 - HB3 LYS 39 OK 30 63 - 47 - 1838/3.0=2, 2.9/2982=2...(21) HD2 LYS 73 - HB3 LYS 39 OK 30 63 - 47 - 1838/3.0=2, 2.9/2982=2...(21) HD3 LYS 73 - HB3 LYS 75 OK 29 53 - 55 - ~2972=3, 2.9/2982=3...(33) HD2 LYS 73 - HB3 LYS 75 OK 29 53 - 55 - ~2972=3, 2.9/2982=3...(33) HB3 LEU 86 - HB3 LYS 39 OK 26 85 - 31 - ~5206=3, ~5111=3...(14) HD3 LYS 39 - HB2 LYS 13 OK 26 99 - 26 - ~1013=2, 3.0/1875=2...(7) HD2 LYS 39 - HB2 LYS 13 OK 25 99 - 26 - ~1013=2, 3.0/1875=2...(7) HB3 LEU 62 - HB3 LYS 39 OK 23 99 - 23 - 1839/3.0=2, 598/4.0=2...(7) HG3 ARG 84 - HB2 LYS 85 OK 20 69 - 30 - 3.0/3378=3, ~3385=3...(11) HG2 ARG 84 - HB2 LYS 85 OK 20 69 - 30 - 3.0/3378=3, ~3385=3...(11) HD2 LYS 32 - HB3 LYS 39 OK 20 63 - 32 - 3.0/1596=1, 3.0/1587=1...(6) HG3 ARG 84 - HB2 LYS 83 OK 20 88 - 22 - 5.0/368=5, 5896/4.0=3...(6) HG2 ARG 84 - HB2 LYS 83 OK 20 88 - 22 - 5.0/368=5, 5896/4.0=3...(6) HB3 LEU 51 - HB3 LYS 75 OK 20 78 - 25 - 3.1/5205=6, ~5204=5...(7) HG LEU 62 - HB3 LYS 39 OK 19 90 - 21 - ~4896=2, ~5119=2...(8) HB3 LEU 29 - HB2 LYS 13 OK 18 99 - 18 - ~1487=2, 1494/1.8=1...(5) HG2 ARG 84 - HB3 LYS 39 OK 17 97 - 17 - 1839/3.0=1 HG3 ARG 84 - HB3 LYS 39 OK 17 97 - 17 - 1839/3.0=1 HD2 LYS 73 - HB2 LYS 13 OK 17 60 - 28 - ~1014=2, 2.9/2982=1...(5) HD3 LYS 73 - HB2 LYS 13 OK 17 60 - 28 - ~1014=2, 2.9/2982=1...(5) HB3 LEU 51 - HB3 LYS 73 OK 16 87 - 18 - 3.1/5205=5, ~5255=2...(5) HB3 LEU 62 - HB3 LYS 73 OK 16 99 - 16 - ~5005=1, 1491/3.0=1...(4) HG LEU 62 - HB3 LYS 73 OK 15 89 - 17 - ~5005=2, ~5255=1...(5) HD3 LYS 73 - HB2 LYS 85 OK 15 40 - 38 - ~3448=2, ~3447=2...(12) HD2 LYS 73 - HB2 LYS 85 OK 15 40 - 38 - ~3448=2, ~3447=2...(12) HB3 LEU 29 - HB3 LYS 39 OK 14 100 - 13 - ~5206=1, ~5111=1 HB3 LEU 29 - HB2 LYS 85 OK 13 75 - 18 - 861/4.6=4, ~6062=1 HG LEU 86 - HB3 LYS 73 OK 13 89 - 14 - ~5255=1, ~5257=1, ~5262=1 HD2 LYS 32 - HB3 LYS 75 OK 12 53 - 23 - HB3 LEU 29 - HB3 LYS 75 OK 12 93 - 13 - 1490/4.6=1 HB3 LEU 29 - HB2 LYS 83 OK 12 94 - 13 - 5896/4.0=2, 844/4.3=1, ~6062=1 HB3 LEU 86 - HB3 LYS 73 OK 12 83 - 14 - ~5255=1, 4.0/386=1 HG3 ARG 54 - HB3 LYS 73 OK 12 99 - 12 - 3.7/2301=1, 4.9/676=1 HD2 LYS 39 - HB2 LYS 83 OK 12 94 - 12 - 5896/4.0=2 HD3 LYS 39 - HB2 LYS 83 OK 12 94 - 12 - 5896/4.0=2 HD3 LYS 39 - HB2 LYS 85 OK 11 75 - 15 - 861/4.6=1, 3.0/1865=1 HD2 LYS 39 - HB2 LYS 85 OK 11 75 - 15 - 861/4.6=1, 3.0/1865=1 HB3 LEU 86 - HB2 LYS 85 OK 11 57 - 19 - 861/4.6=12 HD3 LYS 73 - HB2 LYS 83 poor 9 55 - 17 - 5896/4.0=3 HD2 LYS 73 - HB2 LYS 83 poor 9 55 - 17 - 5896/4.0=3 HG LEU 86 - HB2 LYS 85 poor 9 62 - 15 - 5894/4.6=7 HD2 LYS 32 - HB2 LYS 13 poor 7 60 - 12 - HG3 ARG 84 - HB3 LYS 75 lone 7 87 - 8 - HG2 ARG 84 - HB3 LYS 75 lone 7 87 - 8 - HG3 ARG 54 - HB3 LYS 75 lone 7 91 - 7 - HB3 LEU 51 - HB2 LYS 13 lone 6 86 - 7 - 3.1/5205=3 HB3 LEU 62 - HB2 LYS 13 lone 6 98 - 6 - HG LEU 86 - HB2 LYS 13 lone 6 88 - 7 - 5.3/386=1 HB3 LEU 86 - HB2 LYS 13 lone 6 82 - 7 - 4.0/386=2 HG3 ARG 84 - HB2 LYS 13 lone 5 94 - 5 - HG2 ARG 84 - HB2 LYS 13 lone 5 94 - 5 - HB3 LEU 62 - HB3 LYS 75 lone 5 91 - 6 - HG LEU 86 - HB3 LYS 75 lone 5 80 - 6 - 5.3/386=1 HB3 LEU 86 - HB3 LYS 75 lone 5 74 - 6 - 4.0/386=1 HG LEU 62 - HB2 LYS 13 lone 5 88 - 5 - HB3 LEU 62 - HB2 LYS 85 lone 5 73 - 6 - 862/4.6=2 HG3 ARG 54 - HB2 LYS 13 lone 4 98 - 4 - HG LEU 62 - HB2 LYS 85 lone 4 62 - 7 - 861/4.6=3 HG LEU 86 - HB2 LYS 83 lone 4 81 - 5 - HB3 LEU 62 - HB2 LYS 83 lone 4 93 - 4 - HG3 ARG 54 - HB2 LYS 83 lone 4 93 - 4 - HG LEU 62 - HB3 LYS 75 lone 4 80 - 5 - HD2 LYS 32 - HB2 LYS 85 lone 4 40 - 9 - HB3 LEU 86 - HB2 LYS 83 lone 3 76 - 5 - 4.0/386=1 HD2 LYS 32 - HB2 LYS 83 lone 3 55 - 5 - HB3 LEU 51 - HB2 LYS 83 lone 3 79 - 4 - HB3 LEU 51 - HB2 LYS 85 lone 3 60 - 4 - HG LEU 62 - HB2 LYS 83 lone 3 81 - 3 - HG3 ARG 54 - HB2 LYS 85 lone 2 73 - 3 - Peak 1860 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.30 A): 10 out of 66 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 92 100 - 92 - 4.7=78, 1916/2.9=5...(39) * HE2 LYS 39 + HB3 LYS 39 OK 92 100 - 92 - 4.7=78, 1916/2.9=5...(39) HE2 LYS 13 + HB2 LYS 13 OK 76 95 - 80 - 5.2=56, 1063/3.0=4...(35) HE3 LYS 13 + HB2 LYS 13 OK 76 94 - 80 - 5.2=56, 1063/3.0=4...(35) HE2 LYS 75 + HB3 LYS 75 OK 67 80 - 84 - 5.0=65, ~3073=4, ~3072=4...(35) HE3 LYS 75 + HB3 LYS 75 OK 66 78 - 84 - 5.0=65, ~3073=4, ~3072=4...(35) HE2 LYS 73 + HB3 LYS 73 OK 63 72 - 88 - 4.7=78, ~3020=4, ~3010=4...(29) HE3 LYS 73 + HB3 LYS 73 OK 61 69 - 88 - 4.7=78, ~3020=4, ~3010=4...(29) HE2 LYS 75 + HB3 LYS 39 OK 53 90 - 59 - 1870/2.9=4, 1880/2.9=4...(39) HE3 LYS 75 + HB3 LYS 39 OK 52 89 - 59 - 1870/2.9=4, 1880/2.9=4...(39) HE2 LYS 75 - HB3 LYS 73 OK 42 89 - 48 - ~6146=2, 6.4/3069=2...(26) HE3 LYS 75 - HB3 LYS 73 OK 41 87 - 48 - ~6146=2, 6.4/3069=2...(26) HE2 LYS 75 - HB2 LYS 13 OK 41 88 - 47 - 1027/3.0=4, ~1028=3...(20) HE3 LYS 75 - HB2 LYS 13 OK 40 86 - 47 - 1027/3.0=4, ~1028=3...(22) HE2 LYS 13 - HB3 LYS 75 OK 40 88 - 46 - 3.8/1021=4, ~3073=2...(22) HE3 LYS 39 - HB3 LYS 75 OK 40 93 - 43 - 3.6/1865=4, 3.6/1875=4...(18) HE2 LYS 39 - HB3 LYS 75 OK 40 93 - 43 - 3.6/1865=4, 3.6/1875=4...(18) HE3 LYS 13 - HB3 LYS 75 OK 40 87 - 46 - 3.8/1021=4, ~3073=2...(22) HE2 LYS 13 - HB3 LYS 39 OK 37 97 - 38 - 3.8/1021=3, 1871/2.9=3...(19) HE3 LYS 13 - HB3 LYS 39 OK 37 97 - 38 - 3.8/1021=3, 1871/2.9=3...(19) HE2 LYS 13 - HB3 LYS 73 OK 31 96 - 32 - 3.8/1021=3, 5.2/1011=1 HE3 LYS 13 - HB3 LYS 73 OK 31 95 - 32 - 3.8/1021=3, 5.2/1011=1 HE3 LYS 32 - HB3 LYS 73 OK 27 74 - 37 - 3.9/1586=2, 3.9/1597=2...(16) HE2 LYS 32 - HB3 LYS 73 OK 26 72 - 37 - 3.9/1586=2, 3.9/1597=2...(16) HE2 LYS 73 - HB3 LYS 39 OK 25 73 - 33 - 1870/2.9=2, 1880/2.9=2...(8) HE3 LYS 73 - HB3 LYS 39 OK 24 71 - 34 - 1870/2.9=2, 1880/2.9=2...(8) HE2 LYS 39 - HB3 LYS 73 OK 24 100 - 24 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 39 - HB3 LYS 73 OK 23 99 - 24 - 3.6/1865=2, 3.6/1875=2 HE2 LYS 73 - HB3 LYS 75 OK 22 63 - 35 - 3.7/2982=2, 3075/3.0=1...(9) HE3 LYS 73 - HB3 LYS 75 OK 21 61 - 35 - 3.7/2982=2, ~3075=1...(9) HE3 LYS 32 - HB3 LYS 39 OK 21 76 - 27 - 1870/2.9=2, 1880/2.9=1 HE2 LYS 32 - HB3 LYS 39 OK 20 73 - 27 - 1870/2.9=1, 1880/2.9=1...(4) HE3 LYS 39 - HB2 LYS 13 OK 19 99 - 19 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 39 - HB2 LYS 13 OK 18 99 - 19 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 75 - HB2 LYS 85 OK 18 62 - 29 - ~3447=2, 6.4/3069=1 HE3 LYS 75 - HB2 LYS 85 OK 17 60 - 29 - ~3447=2, 6.4/3069=1 HE2 LYS 13 - HB2 LYS 85 OK 16 70 - 23 - 3.8/1021=3, 5.2/1011=2...(4) HE3 LYS 13 - HB2 LYS 85 OK 16 69 - 23 - 3.8/1021=3, 5.2/1011=2...(4) HB3 TYR 81 - HB3 LYS 73 OK 14 99 - 14 - 2.5/4683=2, 5459/3.0=2...(7) HE3 LYS 32 - HB3 LYS 75 OK 12 66 - 19 - HE2 LYS 73 - HB2 LYS 13 OK 12 71 - 18 - 1027/3.0=1, 3.7/2982=1 HE2 LYS 32 - HB3 LYS 75 OK 12 63 - 19 - HE3 LYS 73 - HB2 LYS 13 OK 12 68 - 18 - 1027/3.0=1, 3.7/2982=1 HB3 TYR 81 - HB3 LYS 39 lone 10 100 - 10 - ~4684=3, 2.5/4683=2 HE2 LYS 73 - HB2 LYS 85 poor 9 48 - 19 - HE3 LYS 73 - HB2 LYS 85 poor 8 46 - 19 - HE2 LYS 75 - HB2 LYS 83 lone 8 81 - 9 - HE3 LYS 75 - HB2 LYS 83 lone 8 79 - 9 - HE3 LYS 32 - HB2 LYS 13 lone 7 73 - 10 - HE2 LYS 32 - HB2 LYS 13 lone 7 71 - 10 - HE3 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HE2 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HE3 LYS 39 - HB2 LYS 83 lone 6 94 - 6 - HE2 LYS 39 - HB2 LYS 83 lone 5 94 - 6 - HE2 LYS 13 - HB2 LYS 83 lone 5 89 - 5 - HB3 TYR 81 - HB3 LYS 75 lone 5 93 - 5 - ~4685=1, 2.5/4683=1 HE3 LYS 13 - HB2 LYS 83 lone 5 88 - 5 - HB3 TYR 81 - HB2 LYS 83 lone 4 94 - 5 - 4.1/5476=1 HE2 LYS 73 - HB2 LYS 83 lone 4 64 - 6 - HE3 LYS 73 - HB2 LYS 83 lone 4 62 - 6 - HE3 LYS 32 - HB2 LYS 85 lone 3 50 - 6 - HE2 LYS 32 - HB2 LYS 85 lone 3 48 - 6 - HB3 TYR 81 - HB2 LYS 13 lone 2 99 - 2 - HB3 TYR 81 - HB2 LYS 85 lone 2 75 - 3 - HE3 LYS 32 - HB2 LYS 83 lone 2 67 - 3 - HE2 LYS 32 - HB2 LYS 83 lone 2 64 - 3 - Peak 1861 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.30 A): 10 out of 66 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 92 100 - 92 - 4.7=78, 1916/2.9=5...(39) HE2 LYS 39 + HB3 LYS 39 OK 92 100 - 92 - 4.7=78, 1916/2.9=5...(39) HE2 LYS 13 + HB2 LYS 13 OK 75 93 - 80 - 5.2=56, 1063/3.0=4...(35) HE3 LYS 13 + HB2 LYS 13 OK 74 92 - 80 - 5.2=56, 1063/3.0=4...(35) HE2 LYS 75 + HB3 LYS 75 OK 64 76 - 84 - 5.0=65, ~3073=4, ~3072=4...(35) HE3 LYS 75 + HB3 LYS 75 OK 63 74 - 84 - 5.0=65, ~3073=4, ~3072=4...(35) HE2 LYS 73 + HB3 LYS 73 OK 59 67 - 88 - 4.7=78, ~3020=4, ~3010=4...(29) HE3 LYS 73 + HB3 LYS 73 OK 56 64 - 88 - 4.7=78, ~3020=4, ~3010=4...(29) HE2 LYS 75 + HB3 LYS 39 OK 50 87 - 59 - 1870/2.9=4, 1880/2.9=4...(39) HE3 LYS 75 + HB3 LYS 39 OK 49 85 - 59 - 1870/2.9=4, 1880/2.9=4...(39) HE2 LYS 75 - HB3 LYS 73 OK 40 85 - 48 - ~6146=2, 6.4/3069=2...(26) HE3 LYS 39 - HB3 LYS 75 OK 40 93 - 43 - 3.6/1865=4, 3.6/1875=4...(18) HE2 LYS 39 - HB3 LYS 75 OK 40 93 - 43 - 3.6/1865=4, 3.6/1875=4...(18) HE3 LYS 75 - HB3 LYS 73 OK 39 83 - 48 - ~6146=2, 6.4/3069=2...(26) HE2 LYS 75 - HB2 LYS 13 OK 39 84 - 47 - 1027/3.0=4, ~1028=3...(20) HE2 LYS 13 - HB3 LYS 75 OK 39 86 - 46 - 3.8/1021=4, ~3073=2...(22) HE3 LYS 13 - HB3 LYS 75 OK 38 85 - 46 - 3.8/1021=4, ~3073=2...(22) HE3 LYS 75 - HB2 LYS 13 OK 38 82 - 47 - 1027/3.0=4, ~1028=3...(22) HE2 LYS 13 - HB3 LYS 39 OK 37 96 - 38 - 3.8/1021=3, 1871/2.9=3...(19) HE3 LYS 13 - HB3 LYS 39 OK 36 95 - 38 - 3.8/1021=3, 1871/2.9=3...(19) HE2 LYS 13 - HB3 LYS 73 OK 30 94 - 32 - 3.8/1021=3, 5.2/1011=1 HE3 LYS 13 - HB3 LYS 73 OK 30 93 - 32 - 3.8/1021=3, 5.2/1011=1 HE3 LYS 32 - HB3 LYS 73 OK 25 69 - 37 - 3.9/1586=2, 3.9/1596=2...(16) HE2 LYS 32 - HB3 LYS 73 OK 24 67 - 37 - 3.9/1587=2, 3.9/1597=2...(16) HE2 LYS 39 - HB3 LYS 73 OK 23 99 - 24 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 39 - HB3 LYS 73 OK 23 100 - 24 - 3.6/1865=2, 3.6/1875=2 HE2 LYS 73 - HB3 LYS 39 OK 23 68 - 33 - 1870/2.9=2, 1880/2.9=2...(8) HE3 LYS 73 - HB3 LYS 39 OK 22 65 - 33 - 1870/2.9=2, 1880/2.9=2...(8) HE2 LYS 73 - HB3 LYS 75 OK 20 58 - 35 - 3.7/2982=2, ~3075=1...(9) HE3 LYS 32 - HB3 LYS 39 OK 19 71 - 27 - 1870/2.9=2, 1880/2.9=1 HE3 LYS 73 - HB3 LYS 75 OK 19 56 - 35 - 3.7/2982=2, ~3075=1...(9) HE2 LYS 32 - HB3 LYS 39 OK 19 68 - 27 - 1870/2.9=1, 1880/2.9=1...(4) HE3 LYS 39 - HB2 LYS 13 OK 18 99 - 19 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 39 - HB2 LYS 13 OK 18 99 - 18 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 75 - HB2 LYS 85 OK 17 59 - 28 - ~3447=2, 6.4/3069=1 HE3 LYS 75 - HB2 LYS 85 OK 16 57 - 28 - ~3447=2, 6.4/3069=1 HE2 LYS 13 - HB2 LYS 85 OK 15 67 - 23 - 3.8/1021=3, 5.2/1011=2...(4) HE3 LYS 13 - HB2 LYS 85 OK 15 66 - 23 - 3.8/1021=3, 5.2/1011=2...(4) HB3 TYR 81 - HB3 LYS 73 OK 14 100 - 14 - 2.5/4683=2, 5459/3.0=2...(7) HE3 LYS 32 - HB3 LYS 75 OK 11 61 - 19 - HE2 LYS 73 - HB2 LYS 13 OK 11 65 - 17 - 1027/3.0=1, 3.7/2982=1 HE2 LYS 32 - HB3 LYS 75 OK 11 58 - 19 - HE3 LYS 73 - HB2 LYS 13 OK 11 63 - 17 - 1027/3.0=1, 3.7/2982=1 HB3 TYR 81 - HB3 LYS 39 lone 10 100 - 10 - ~4684=3, 2.5/4683=2 HE2 LYS 73 - HB2 LYS 85 poor 8 44 - 19 - HE3 LYS 73 - HB2 LYS 85 poor 8 42 - 19 - HE2 LYS 75 - HB2 LYS 83 lone 7 77 - 9 - HE3 LYS 75 - HB2 LYS 83 lone 7 76 - 9 - HE3 LYS 32 - HB2 LYS 13 lone 7 68 - 10 - HE2 LYS 32 - HB2 LYS 13 lone 7 65 - 10 - HE3 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HE2 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HE3 LYS 39 - HB2 LYS 83 lone 6 94 - 6 - HE2 LYS 39 - HB2 LYS 83 lone 5 94 - 6 - HB3 TYR 81 - HB3 LYS 75 lone 5 93 - 5 - ~4685=1, 2.5/4683=1 HE2 LYS 13 - HB2 LYS 83 lone 5 87 - 5 - HE3 LYS 13 - HB2 LYS 83 lone 5 86 - 5 - HB3 TYR 81 - HB2 LYS 83 lone 4 94 - 5 - 4.1/5476=1 HE2 LYS 73 - HB2 LYS 83 lone 3 60 - 6 - HE3 LYS 73 - HB2 LYS 83 lone 3 57 - 6 - HE3 LYS 32 - HB2 LYS 85 lone 3 46 - 6 - HE2 LYS 32 - HB2 LYS 85 lone 3 44 - 6 - HB3 TYR 81 - HB2 LYS 13 lone 2 99 - 2 - HB3 TYR 81 - HB2 LYS 85 lone 2 75 - 3 - HE3 LYS 32 - HB2 LYS 83 lone 2 62 - 3 - HE2 LYS 32 - HB2 LYS 83 lone 2 60 - 3 - Peak 1862 from cnoeabs.peaks (7.39, 1.55, 25.35 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.97: * H LYS 39 + HG2 LYS 39 OK 97 100 - 97 - 4.9=83, 1872/1.8=30...(21) H LEU 64 - HG2 LYS 39 OK 38 65 - 58 - 1872/1.8=11, 3.0/2616=8...(15) Peak 1863 from cnoeabs.peaks (4.25, 1.55, 25.35 ppm; 4.23 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 4.1=100 HA LYS 75 + HG2 LYS 39 OK 65 99 - 66 - 1873/1.8=9, 3068/2.9=8...(32) HA LEU 64 + HG2 LYS 39 OK 55 97 - 56 - 2616=9, 3.0/1862=8...(17) HA LYS 83 - HG2 LYS 39 OK 15 99 - 15 - 1873/1.8=2, ~3287=1 HA ASP 38 - HG2 LYS 39 OK 14 60 - 24 - 3.6/1862=18, 1873/1.8=2 HA LYS 85 - HG2 LYS 39 OK 14 81 - 17 - 3.6/861=2, 1873/1.8=2 HA ALA 20 - HG2 LYS 39 lone 6 97 - 6 - HB THR 37 - HG2 LYS 39 lone 5 65 - 8 - 592/4.9=2 HA ARG 17 - HG2 LYS 39 lone 5 63 - 7 - HA GLU 19 - HG2 LYS 39 lone 4 99 - 4 - HA ALA 77 - HG2 LYS 39 lone 3 89 - 4 - HA THR 15 - HG2 LYS 39 lone 3 100 - 3 - HA ALA 12 - HG2 LYS 39 lone 3 99 - 3 - HA SER 60 - HG2 LYS 39 lone 2 63 - 3 - Peak 1864 from cnoeabs.peaks (1.85, 1.55, 25.35 ppm; 3.87 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 75 + HG2 LYS 39 OK 66 96 - 69 - 1874/1.8=7, 1846=7...(31) HB3 PRO 34 - HG2 LYS 39 OK 29 85 - 34 - 1874/1.8=3, 1.8/1865=3...(14) HB3 ARG 23 - HG2 LYS 39 OK 25 99 - 26 - 1874/1.8=3, 3.0/1289=2...(9) HB2 ARG 23 - HG2 LYS 39 OK 25 99 - 26 - 1874/1.8=3, 3.0/1289=2...(9) HB3 ARG 71 - HG2 LYS 39 lone 9 100 - 9 - 1874/1.8=1 HB2 ARG 71 - HG2 LYS 39 lone 9 100 - 9 - 1874/1.8=1 HB3 ARG 27 - HG2 LYS 39 lone 7 100 - 7 - HB2 ARG 27 - HG2 LYS 39 lone 7 100 - 7 - HB2 ARG 17 - HG2 LYS 39 lone 6 92 - 6 - HB2 ARG 66 - HG2 LYS 39 lone 5 81 - 6 - HB2 ARG 26 - HG2 LYS 39 lone 3 71 - 3 - HB3 ARG 26 - HG2 LYS 39 lone 2 68 - 3 - HB2 MET 11 - HG2 LYS 39 lone 1 57 - 2 - Peak 1865 from cnoeabs.peaks (1.78, 1.55, 25.35 ppm; 3.95 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 75 + HG2 LYS 39 OK 68 100 - 68 - 1.8/1864=8, 2.7/1867=7...(36) HB2 ARG 54 + HG2 LYS 39 OK 50 89 - 57 - 3.0/2302=5, ~1876=5...(29) HB2 PRO 34 - HG2 LYS 39 OK 38 100 - 38 - 1.8/1864=4, 5707/5939=3...(16) HB3 LYS 73 - HG2 LYS 39 OK 32 100 - 32 - 2.9/1867=3, 1875/1.8=2...(6) HG2 PRO 34 - HG2 LYS 39 OK 28 76 - 37 - 4242/5939=4, 2.3/1864=3...(14) HB2 LYS 13 - HG2 LYS 39 OK 28 99 - 28 - 3.0/1867=2, ~1013=2...(10) HB2 LYS 32 - HG2 LYS 39 OK 27 98 - 28 - 1875/1.8=2, ~1875=1...(5) HB3 LYS 32 - HG2 LYS 39 OK 27 98 - 28 - 1875/1.8=2, ~1875=1...(5) HB2 LEU 57 - HG2 LYS 39 OK 17 90 - 19 - 4982=2, 3.1/5325=2...(6) HB2 ARG 69 - HG2 LYS 39 OK 15 83 - 19 - 1.8/1867=2, 2795/1.8=2, ~2802=1 HB2 LYS 85 - HG2 LYS 39 OK 14 83 - 16 - 4.6/861=1, 3.0/1863=1 HB3 ARG 82 - HG2 LYS 39 OK 13 89 - 14 - 1.8/5480=2, 4.0/5478=1 HB2 LYS 83 - HG2 LYS 39 OK 11 100 - 11 - 3.0/1863=1 HB ILE 33 - HG2 LYS 39 poor 10 93 - 10 - 4561/5939=1 HB3 ARG 84 - HG2 LYS 39 poor 9 83 - 11 - Peak 1866 from cnoeabs.peaks (1.55, 1.55, 25.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 1867 from cnoeabs.peaks (1.40, 1.55, 25.35 ppm; 2.94 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 1.8=100 HG2 LYS 75 - HG2 LYS 39 OK 40 92 - 44 - 2.7/1864=4, 3.9/1863=3...(11) HG3 LYS 75 - HG2 LYS 39 OK 40 92 - 44 - 2.7/1864=4, 3.9/1863=3...(11) HG3 LYS 73 - HG2 LYS 39 OK 17 89 - 19 - 2.9/1865=1, 2.9/1868=1 HG2 LYS 13 - HG2 LYS 39 OK 16 85 - 19 - 1021/2.9=2 QB ALA 53 - HG2 LYS 39 OK 11 96 - 12 - 3.6/677=3, 4.9/2302=1, ~2295=1 HB3 ARG 69 - HG2 LYS 39 OK 11 97 - 11 - 2802/2.9=1 HG3 ARG 69 - HG2 LYS 39 lone 5 63 - 9 - HG2 LYS 85 - HG2 LYS 39 lone 4 65 - 7 - QB ALA 20 - HG2 LYS 39 lone 1 65 - 2 - QB ALA 78 - HG2 LYS 39 lone 1 89 - 1 - QB ALA 77 - HG2 LYS 39 lone 1 60 - 2 - Peak 1868 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.48 A): 2 out of 16 assignments used, quality = 0.93: HD3 LYS 39 + HG2 LYS 39 OK 74 100 - 74 - 3.0=59, 1879/1.8=7...(11) * HD2 LYS 39 + HG2 LYS 39 OK 74 100 - 74 - 3.0=59, 1879/1.8=7...(11) HB3 LEU 51 - HG2 LYS 39 OK 26 90 - 28 - 3.1/6087=5, 3.1/6093=3...(10) HG3 ARG 54 - HG2 LYS 39 OK 20 99 - 20 - 1.8/2326=3, 3.0/2310=2...(5) HG LEU 86 - HG2 LYS 39 OK 12 92 - 14 - 3537=1, ~5206=1...(4) HD2 LYS 73 - HG2 LYS 39 OK 10 65 - 16 - 1896=1, 2.9/1867=1 HD3 LYS 73 - HG2 LYS 39 OK 10 65 - 16 - 1896=1, 2.9/1867=1 HB3 LEU 86 - HG2 LYS 39 poor 10 83 - 12 - HB3 LEU 62 - HG2 LYS 39 lone 8 100 - 8 - HD2 LYS 32 - HG2 LYS 39 poor 7 65 - 11 - 1896=1 HD3 LYS 32 - HG2 LYS 39 poor 7 60 - 12 - HG LEU 62 - HG2 LYS 39 lone 6 89 - 7 - HG3 ARG 84 - HG2 LYS 39 lone 5 97 - 5 - HG2 ARG 84 - HG2 LYS 39 lone 5 97 - 5 - HB3 LEU 29 - HG2 LYS 39 lone 4 100 - 4 - HG3 ARG 70 - HG2 LYS 39 lone 0 60 - 1 - Peak 1869 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.48 A): 2 out of 14 assignments used, quality = 0.93: * HD3 LYS 39 + HG2 LYS 39 OK 74 100 - 74 - 3.0=59, 1879/1.8=7...(11) HD2 LYS 39 + HG2 LYS 39 OK 74 100 - 74 - 3.0=59, 1879/1.8=7...(11) HB3 LEU 51 - HG2 LYS 39 OK 25 89 - 28 - 3.1/6087=5, 3.1/6093=3...(10) HG3 ARG 54 - HG2 LYS 39 OK 20 99 - 20 - 1.8/2326=3, 3.0/2310=2...(5) HG LEU 86 - HG2 LYS 39 OK 12 90 - 13 - 3537=1, ~5206=1...(4) HB3 LEU 86 - HG2 LYS 39 poor 10 85 - 12 - HD2 LYS 73 - HG2 LYS 39 poor 10 63 - 16 - 1896=1, 2.9/1867=1 HD3 LYS 73 - HG2 LYS 39 poor 10 63 - 16 - 1896=1, 2.9/1867=1 HB3 LEU 62 - HG2 LYS 39 lone 8 99 - 8 - HD2 LYS 32 - HG2 LYS 39 poor 7 63 - 11 - 1896=1 HG LEU 62 - HG2 LYS 39 lone 6 90 - 7 - HG3 ARG 84 - HG2 LYS 39 lone 5 97 - 5 - HG2 ARG 84 - HG2 LYS 39 lone 5 97 - 5 - HB3 LEU 29 - HG2 LYS 39 lone 4 100 - 4 - Peak 1870 from cnoeabs.peaks (2.98, 1.55, 25.35 ppm; 4.22 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 75 + HG2 LYS 39 OK 60 90 - 67 - 3.5/1867=6, 3.5/1867=6...(25) HE3 LYS 75 + HG2 LYS 39 OK 59 89 - 67 - 3.5/1867=6, 3.5/1867=6...(25) HE2 LYS 13 - HG2 LYS 39 OK 40 97 - 41 - 1881/1.8=3, 3.8/1867=2...(9) HE3 LYS 13 - HG2 LYS 39 OK 39 97 - 41 - 1881/1.8=3, 3.8/1867=2...(10) HE2 LYS 73 - HG2 LYS 39 OK 27 73 - 37 - 3.7/1867=2, 1880/1.8=2...(12) HE3 LYS 73 - HG2 LYS 39 OK 26 71 - 37 - 3.7/1867=2, 1880/1.8=2...(11) HE3 LYS 32 - HG2 LYS 39 OK 24 76 - 31 - 1880/1.8=2, 4.6/1865=1...(9) HE2 LYS 32 - HG2 LYS 39 OK 23 73 - 31 - 1880/1.8=2, 4.6/1865=1...(9) HB3 TYR 81 - HG2 LYS 39 OK 12 100 - 12 - 2.5/4684=4, 4.1/5478=2...(4) Peak 1871 from cnoeabs.peaks (2.98, 1.55, 25.35 ppm; 4.22 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 75 + HG2 LYS 39 OK 58 87 - 67 - 3.5/1867=6, 3.5/1867=6...(25) HE3 LYS 75 + HG2 LYS 39 OK 56 85 - 67 - 3.5/1867=6, 3.5/1867=6...(25) HE2 LYS 13 - HG2 LYS 39 OK 39 96 - 41 - 1881/1.8=3, 3.8/1867=2...(9) HE3 LYS 13 - HG2 LYS 39 OK 39 95 - 41 - 1881/1.8=3, 3.8/1867=2...(10) HE2 LYS 73 - HG2 LYS 39 OK 25 68 - 37 - 3.7/1867=2, 1880/1.8=2...(11) HE3 LYS 73 - HG2 LYS 39 OK 24 65 - 37 - 3.7/1867=2, 1880/1.8=2...(11) HE3 LYS 32 - HG2 LYS 39 OK 22 71 - 31 - 1880/1.8=2, 4.6/1865=1...(9) HE2 LYS 32 - HG2 LYS 39 OK 21 68 - 31 - 1880/1.8=2, 4.6/1865=1...(9) HB3 TYR 81 - HG2 LYS 39 OK 12 100 - 12 - 2.5/4684=4, 4.1/5478=2...(4) Peak 1872 from cnoeabs.peaks (7.39, 1.40, 25.35 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.95: * H LYS 39 + HG3 LYS 39 OK 95 100 - 95 - 4.9=78, 1862/1.8=27...(18) H LEU 64 - HG3 LYS 39 OK 34 65 - 52 - 1862/1.8=11, 4.4/5206=7...(12) Peak 1873 from cnoeabs.peaks (4.25, 1.40, 25.35 ppm; 3.97 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 98 100 - 98 - 4.1=94, 3.0/1872=18...(17) HA LYS 75 + HG3 LYS 39 OK 57 99 - 58 - 1863/1.8=8, 3068/2.9=7...(24) HA LEU 64 + HG3 LYS 39 OK 48 97 - 49 - 2616/1.8=8, 3.0/1872=7...(17) HA ASP 38 - HG3 LYS 39 OK 13 60 - 22 - 3.6/1872=16, 1863/1.8=2 HA LYS 83 - HG3 LYS 39 OK 13 99 - 13 - 1863/1.8=2 HA LYS 85 - HG3 LYS 39 OK 11 81 - 14 - 1863/1.8=2, 3.6/5895=1 HA ALA 20 - HG3 LYS 39 lone 5 97 - 5 - HB THR 37 - HG3 LYS 39 lone 4 65 - 7 - 592/4.9=2 HA ALA 12 - HG3 LYS 39 lone 4 99 - 4 - 3.6/470=2 HA ARG 17 - HG3 LYS 39 lone 4 63 - 6 - HA GLU 19 - HG3 LYS 39 lone 3 99 - 3 - HA ALA 77 - HG3 LYS 39 lone 3 89 - 4 - HA THR 15 - HG3 LYS 39 lone 3 100 - 3 - HA SER 60 - HG3 LYS 39 lone 2 63 - 2 - Peak 1874 from cnoeabs.peaks (1.85, 1.40, 25.35 ppm; 4.19 A): 2 out of 14 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 75 + HG3 LYS 39 OK 63 96 - 66 - 1864/1.8=9, 3.0/1873=7...(33) HB3 PRO 34 - HG3 LYS 39 OK 30 85 - 36 - 1864/1.8=4, 3.0/5207=4...(17) HB3 ARG 23 - HG3 LYS 39 OK 27 99 - 27 - 1864/1.8=4, ~1864=3...(9) HB2 ARG 23 - HG3 LYS 39 OK 27 99 - 27 - 1864/1.8=4, ~1864=3...(9) HB3 ARG 71 - HG3 LYS 39 OK 11 100 - 10 - 1864/1.8=1 HB2 ARG 71 - HG3 LYS 39 OK 11 100 - 10 - 1864/1.8=1 HB3 ARG 27 - HG3 LYS 39 lone 8 100 - 8 - 1864/1.8=1 HB2 ARG 27 - HG3 LYS 39 lone 8 100 - 8 - 1864/1.8=1 HB2 ARG 17 - HG3 LYS 39 lone 7 92 - 7 - HB2 ARG 66 - HG3 LYS 39 lone 5 81 - 7 - 3.0/4733=1 HB2 ARG 26 - HG3 LYS 39 lone 3 71 - 4 - HB3 ARG 26 - HG3 LYS 39 lone 3 68 - 4 - HB2 MET 11 - HG3 LYS 39 lone 1 57 - 2 - Peak 1875 from cnoeabs.peaks (1.78, 1.40, 25.35 ppm; 4.08 A): 3 out of 16 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 75 + HG3 LYS 39 OK 64 100 - 65 - 3.0/1873=7, ~1864=6...(36) HB2 ARG 54 + HG3 LYS 39 OK 46 89 - 53 - 1.8/1876=7, 3.0/4967=7...(23) HB2 PRO 34 - HG3 LYS 39 OK 33 100 - 33 - 3.0/5207=3, 1865/1.8=3...(14) HB3 LYS 73 - HG3 LYS 39 OK 31 100 - 31 - 1865/1.8=3, ~1867=2...(8) HB2 LYS 13 - HG3 LYS 39 OK 30 99 - 30 - 1.8/1013=3, 1865/1.8=2...(15) HB2 LYS 32 - HG3 LYS 39 OK 27 98 - 27 - 1865/1.8=2, ~1865=2...(5) HB3 LYS 32 - HG3 LYS 39 OK 27 98 - 27 - 1865/1.8=2, ~1865=2...(5) HG2 PRO 34 - HG3 LYS 39 OK 25 76 - 33 - 2.3/5207=4, 1723/2.9=2...(13) HB2 ARG 69 - HG3 LYS 39 OK 18 83 - 22 - 2795=2, ~1867=2, ~2802=1...(8) HB2 LYS 85 - HG3 LYS 39 OK 13 83 - 16 - 3.0/1873=1, 4.6/5895=1 HB2 LEU 57 - HG3 LYS 39 OK 12 90 - 14 - 4982/1.8=2, ~5325=2...(5) HB2 LYS 83 - HG3 LYS 39 OK 11 100 - 11 - 3.0/1873=2 HB3 ARG 82 - HG3 LYS 39 OK 11 89 - 12 - ~5480=2, 5479/1.8=1 HB3 ARG 84 - HG3 LYS 39 poor 10 83 - 11 - HB ILE 33 - HG3 LYS 39 poor 10 93 - 10 - 4.8/5207=3 Peak 1876 from cnoeabs.peaks (1.55, 1.40, 25.35 ppm; 2.82 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 1.8=100 HG LEU 64 - HG3 LYS 39 OK 30 99 - 30 - 2.1/5206=3, 2.1/4896=3...(17) HB3 ARG 54 - HG3 LYS 39 OK 29 100 - 29 - 3.0/4967=3, 4.1/209=2...(14) HB3 LEU 86 - HG3 LYS 39 OK 13 92 - 15 - 3.1/5206=2 HG3 ARG 54 - HG3 LYS 39 OK 13 63 - 21 - 3.7/4967=2, ~2326=2...(6) HG3 ARG 23 - HG3 LYS 39 OK 12 99 - 12 - 3.0/1874=1, 3.0/1874=1, ~1289=1 HG LEU 62 - HG3 LYS 39 lone 8 87 - 10 - HG2 ARG 82 - HG3 LYS 39 lone 4 83 - 5 - Peak 1877 from cnoeabs.peaks (1.40, 1.40, 25.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1878 from cnoeabs.peaks (1.58, 1.40, 25.35 ppm; 2.82 A): 2 out of 16 assignments used, quality = 0.99: HD3 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1869/1.8=10...(15) * HD2 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1869/1.8=10...(15) HB3 LEU 51 - HG3 LYS 39 OK 32 90 - 35 - ~6087=6, 1869/1.8=3...(14) HG3 ARG 54 - HG3 LYS 39 OK 23 99 - 23 - 1869/1.8=3, 3.7/4967=2...(7) HG LEU 86 - HG3 LYS 39 OK 14 92 - 15 - 2.1/5206=2, 1869/1.8=2, ~5119=1 HD2 LYS 73 - HG3 LYS 39 OK 13 65 - 20 - 1868/1.8=1 HD3 LYS 73 - HG3 LYS 39 OK 13 65 - 20 - 1868/1.8=1 HB3 LEU 86 - HG3 LYS 39 OK 11 83 - 14 - 3.1/5206=2, 1869/1.8=1 HB3 LEU 62 - HG3 LYS 39 lone 9 100 - 9 - 1869/1.8=1 HD2 LYS 32 - HG3 LYS 39 poor 9 65 - 14 - HD3 LYS 32 - HG3 LYS 39 poor 9 60 - 15 - HG LEU 62 - HG3 LYS 39 lone 8 89 - 8 - HB3 LEU 29 - HG3 LYS 39 lone 6 100 - 6 - HG3 ARG 84 - HG3 LYS 39 lone 6 97 - 6 - HG2 ARG 84 - HG3 LYS 39 lone 6 97 - 6 - HG3 ARG 70 - HG3 LYS 39 lone 1 60 - 1 - Peak 1879 from cnoeabs.peaks (1.58, 1.40, 25.35 ppm; 2.82 A): 2 out of 14 assignments used, quality = 0.99: * HD3 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1869/1.8=10...(15) HD2 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1869/1.8=10...(15) HB3 LEU 51 - HG3 LYS 39 OK 31 89 - 35 - ~6087=6, 1869/1.8=3...(14) HG3 ARG 54 - HG3 LYS 39 OK 23 99 - 23 - 1869/1.8=3, 3.7/4967=2...(7) HG LEU 86 - HG3 LYS 39 OK 14 90 - 15 - 2.1/5206=2, 1869/1.8=2, ~5119=1 HD2 LYS 73 - HG3 LYS 39 OK 13 63 - 20 - 1868/1.8=1 HD3 LYS 73 - HG3 LYS 39 OK 13 63 - 20 - 1868/1.8=1 HB3 LEU 86 - HG3 LYS 39 OK 12 85 - 14 - 3.1/5206=2, 1869/1.8=1 HB3 LEU 62 - HG3 LYS 39 lone 9 99 - 9 - 1869/1.8=1 HD2 LYS 32 - HG3 LYS 39 poor 9 63 - 14 - HG LEU 62 - HG3 LYS 39 lone 8 90 - 9 - HB3 LEU 29 - HG3 LYS 39 lone 6 100 - 6 - HG2 ARG 84 - HG3 LYS 39 lone 6 97 - 6 - HG3 ARG 84 - HG3 LYS 39 lone 6 97 - 6 - Peak 1880 from cnoeabs.peaks (2.98, 1.40, 25.35 ppm; 4.15 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 75 + HG3 LYS 39 OK 53 90 - 59 - 1870/1.8=4, 5.0/1874=4...(22) HE3 LYS 75 + HG3 LYS 39 OK 52 89 - 59 - 1870/1.8=4, 5.0/1874=4...(22) HE2 LYS 13 - HG3 LYS 39 OK 36 97 - 37 - 1871/1.8=3, ~1871=2...(14) HE3 LYS 13 - HG3 LYS 39 OK 36 97 - 37 - 1871/1.8=3, ~1871=2...(14) HE2 LYS 73 - HG3 LYS 39 OK 24 73 - 33 - 1870/1.8=2, 3.0/1878=2...(8) HE3 LYS 73 - HG3 LYS 39 OK 24 71 - 33 - 1870/1.8=2, 3.0/1878=2...(8) HE3 LYS 32 - HG3 LYS 39 OK 21 76 - 28 - 1870/1.8=2, 4.6/1875=1...(7) HE2 LYS 32 - HG3 LYS 39 OK 21 73 - 28 - 1870/1.8=2, ~1870=1...(7) HB3 TYR 81 - HG3 LYS 39 lone 9 100 - 9 - ~4684=3, ~4683=1 Peak 1881 from cnoeabs.peaks (2.98, 1.40, 25.35 ppm; 4.15 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 75 + HG3 LYS 39 OK 50 87 - 58 - 1870/1.8=4, 5.0/1874=4...(22) HE3 LYS 75 + HG3 LYS 39 OK 49 85 - 59 - 1870/1.8=4, 5.0/1874=4...(22) HE2 LYS 13 - HG3 LYS 39 OK 36 96 - 37 - 1871/1.8=3, ~1871=2...(14) HE3 LYS 13 - HG3 LYS 39 OK 35 95 - 37 - 1871/1.8=3, ~1871=2...(14) HE2 LYS 73 - HG3 LYS 39 OK 23 68 - 33 - 1870/1.8=2, 3.0/1878=2...(8) HE3 LYS 73 - HG3 LYS 39 OK 22 65 - 33 - 1870/1.8=2, 3.0/1878=2...(8) HE3 LYS 32 - HG3 LYS 39 OK 20 71 - 28 - 1870/1.8=2, 4.6/1875=1...(7) HE2 LYS 32 - HG3 LYS 39 OK 19 68 - 28 - 1870/1.8=2, ~1870=1...(7) HB3 TYR 81 - HG3 LYS 39 lone 9 100 - 9 - ~4684=3, ~4683=1 Peak 1883 from cnoeabs.peaks (4.25, 1.58, 28.78 ppm; 4.53 A): 4 out of 84 assignments used, quality = 1.00: HA LYS 39 + HD3 LYS 39 OK 95 100 - 95 - 5.0=73, 1836/3.0=14...(24) * HA LYS 39 + HD2 LYS 39 OK 95 100 - 95 - 5.0=73, 1836/3.0=14...(22) HA LYS 75 + HD3 LYS 39 OK 63 99 - 64 - 1873/3.0=8, 1863/3.0=8...(26) HA LYS 75 + HD2 LYS 39 OK 62 99 - 63 - 1873/3.0=8, 1863/3.0=8...(26) HA LEU 64 - HD2 LYS 39 OK 43 97 - 44 - 2616/3.0=8, 1873/3.0=7...(14) HA LEU 64 - HD3 LYS 39 OK 43 97 - 44 - 2616/3.0=8, 1873/3.0=7...(14) HA LYS 75 - HD2 LYS 73 OK 34 64 - 54 - 3068/3.5=5, 3071/2.9=4...(20) HA LYS 75 - HD3 LYS 73 OK 34 64 - 54 - 3068/3.5=5, 3071/2.9=4...(20) HA LYS 39 - HD2 LYS 73 OK 27 65 - 42 - 1837/2.9=3, 1838=3...(14) HA LYS 39 - HD3 LYS 73 OK 27 65 - 42 - 1837/2.9=3, 1838=3...(14) HA LYS 39 - HD2 LYS 32 OK 18 65 - 27 - 1838=2, 1838/1.8=1...(8) HA LYS 39 - HD3 LYS 32 OK 17 60 - 28 - 1838=2, 1838/1.8=2...(7) HA LYS 85 - HD2 LYS 73 OK 17 46 - 38 - 3428/2.9=2, 3427/2.9=2...(17) HA LYS 85 - HD3 LYS 73 OK 17 46 - 38 - 3428/2.9=2, 3427/2.9=2...(17) HA LYS 83 - HD3 LYS 39 OK 15 99 - 15 - 2.9/5896=2, 1873/3.0=2...(4) HA LYS 83 - HD2 LYS 39 OK 15 99 - 15 - 2.9/5896=2, 1873/3.0=2...(4) HA LYS 75 - HD2 LYS 32 OK 14 64 - 21 - 3069/3.5=1, 3069/3.5=1...(4) HA LYS 75 - HD3 LYS 32 OK 13 58 - 21 - 3069/3.5=1, 3069/3.5=1...(4) HA LYS 83 - HD2 LYS 73 OK 12 63 - 19 - 2.9/5896=3, ~5896=2...(6) HA LYS 83 - HD3 LYS 73 OK 12 63 - 19 - 2.9/5896=3, ~5896=2...(6) HA LYS 85 - HD3 LYS 39 OK 11 81 - 14 - 1863/3.0=2, 1873/3.0=2 HA LYS 85 - HD2 LYS 39 OK 11 81 - 14 - 1863/3.0=2, 1873/3.0=2 HA ASP 38 - HD2 LYS 39 poor 9 60 - 16 - 3.6/598=9, 1873/3.0=2...(4) HA ASP 38 - HD3 LYS 39 poor 9 60 - 16 - 3.6/598=9, 1873/3.0=2...(4) HA LYS 83 - HD2 LYS 32 lone 4 63 - 7 - HA ALA 20 - HD3 LYS 39 lone 4 97 - 4 - HA ALA 20 - HD2 LYS 39 lone 4 97 - 4 - HA LYS 83 - HD3 LYS 32 lone 4 58 - 7 - HB THR 37 - HD3 LYS 39 lone 4 65 - 6 - 592/6.2=2 HB THR 37 - HD2 LYS 39 lone 4 65 - 6 - 592/6.2=2 HA ARG 17 - HD3 LYS 39 lone 4 63 - 6 - HA ARG 17 - HD2 LYS 39 lone 4 63 - 6 - HA GLU 19 - HD3 LYS 39 lone 3 99 - 3 - HA GLU 19 - HD2 LYS 39 lone 3 99 - 3 - HA LEU 64 - HD2 LYS 32 lone 3 61 - 6 - 4693/6.1=2 HA LYS 85 - HD2 LYS 32 lone 3 46 - 7 - HA THR 15 - HD3 LYS 39 lone 3 100 - 3 - HA ARG 17 - HD2 LYS 73 lone 3 34 - 9 - HA ARG 17 - HD3 LYS 73 lone 3 34 - 9 - HA THR 15 - HD2 LYS 39 lone 3 100 - 3 - HA ALA 77 - HD3 LYS 39 lone 3 89 - 3 - HA ALA 77 - HD2 LYS 39 lone 3 89 - 3 - HA ALA 12 - HD3 LYS 39 lone 3 99 - 3 - HA LYS 85 - HD3 LYS 32 lone 3 42 - 7 - HA ALA 12 - HD2 LYS 39 lone 3 99 - 3 - HA LEU 64 - HD3 LYS 32 lone 3 55 - 5 - 4693/6.1=2 HA LEU 64 - HD2 LYS 73 lone 3 61 - 5 - HA LEU 64 - HD3 LYS 73 lone 3 61 - 5 - HA ARG 17 - HD2 LYS 32 lone 3 34 - 7 - HA ARG 17 - HD3 LYS 32 lone 2 31 - 7 - HA ALA 12 - HD2 LYS 32 lone 2 62 - 3 - HA ALA 77 - HD3 LYS 73 lone 2 52 - 4 - HA ALA 77 - HD2 LYS 73 lone 2 52 - 4 - HA ALA 12 - HD3 LYS 32 lone 2 57 - 3 - HA THR 15 - HD2 LYS 73 lone 2 65 - 3 - HA THR 15 - HD3 LYS 73 lone 2 65 - 3 - HA SER 60 - HD3 LYS 39 lone 2 63 - 3 - HA SER 60 - HD2 LYS 39 lone 2 63 - 3 - HA SER 60 - HD3 LYS 73 lone 1 34 - 4 - 4995/2.9=2 HA SER 60 - HD2 LYS 73 lone 1 34 - 4 - 4995/2.9=2 HA ALA 20 - HD2 LYS 73 lone 1 60 - 2 - HA ALA 20 - HD3 LYS 73 lone 1 60 - 2 - HA GLU 19 - HD2 LYS 73 lone 1 63 - 2 - HA GLU 19 - HD3 LYS 73 lone 1 63 - 2 - HB THR 37 - HD2 LYS 32 lone 1 36 - 3 - ~6128=1 HA ALA 12 - HD3 LYS 73 lone 1 62 - 2 - HA ALA 12 - HD2 LYS 73 lone 1 62 - 2 - HA THR 15 - HD2 LYS 32 lone 1 65 - 2 - HA GLU 19 - HD2 LYS 32 lone 1 63 - 2 - HB THR 37 - HD3 LYS 32 lone 1 32 - 3 - ~6128=1 HA ASP 38 - HD3 LYS 73 lone 1 32 - 3 - 3.6/5941=2 HA ASP 38 - HD2 LYS 73 lone 1 32 - 3 - 3.6/5941=2 HA THR 15 - HD3 LYS 32 lone 1 59 - 2 - HA SER 60 - HD2 LYS 32 lone 1 34 - 3 - HA ALA 20 - HD2 LYS 32 lone 1 60 - 2 - HA GLU 19 - HD3 LYS 32 lone 1 58 - 2 - HA SER 60 - HD3 LYS 32 lone 1 31 - 3 - HA ALA 20 - HD3 LYS 32 lone 1 54 - 2 - HA ALA 77 - HD2 LYS 32 lone 1 52 - 2 - HA ALA 77 - HD3 LYS 32 lone 1 47 - 2 - HA ASP 38 - HD2 LYS 32 lone 1 32 - 2 - HB THR 37 - HD3 LYS 73 lone 1 36 - 2 - HB THR 37 - HD2 LYS 73 lone 1 36 - 2 - HA ASP 38 - HD3 LYS 32 lone 1 29 - 2 - Peak 1884 from cnoeabs.peaks (1.85, 1.58, 28.78 ppm; 3.43 A): 2 out of 84 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 97 100 - 97 - 3.5=92, 2.9/1869=10...(25) HB2 LYS 39 + HD3 LYS 39 OK 97 100 - 97 - 3.5=92, 2.9/1869=10...(25) HB2 LYS 75 - HD3 LYS 39 OK 43 96 - 45 - 1864/3.0=5, 1874/3.0=4...(17) HB2 LYS 75 - HD2 LYS 39 OK 43 96 - 45 - 1864/3.0=5, 1874/3.0=4...(17) HB2 LYS 39 - HD3 LYS 73 OK 20 65 - 30 - 2.9/1868=1, 1849=1...(5) HB2 LYS 39 - HD2 LYS 73 OK 20 65 - 30 - 2.9/1868=1, 1849=1...(5) HB2 LYS 75 - HD2 LYS 73 OK 18 58 - 32 - 2972/2.9=1, 1854/3.5=1...(4) HB2 LYS 75 - HD3 LYS 73 OK 18 58 - 32 - 2972/2.9=1, 1854/3.5=1...(4) HB3 PRO 34 - HD3 LYS 39 OK 16 85 - 18 - 1864/3.0=2, 1874/3.0=2...(6) HB3 PRO 34 - HD2 LYS 39 OK 15 85 - 18 - 1864/3.0=2, 1874/3.0=2...(6) HB3 ARG 23 - HD2 LYS 39 OK 13 99 - 13 - 1864/3.0=2, 1874/3.0=2...(4) HB3 ARG 23 - HD3 LYS 39 OK 13 99 - 13 - 1864/3.0=2, 1874/3.0=2...(4) HB2 ARG 23 - HD2 LYS 39 OK 13 99 - 13 - 1864/3.0=2, 1874/3.0=2...(4) HB2 ARG 23 - HD3 LYS 39 OK 13 99 - 13 - 1864/3.0=2, 1874/3.0=2...(4) HB2 LYS 39 - HD2 LYS 32 OK 13 65 - 20 - HB2 LYS 39 - HD3 LYS 32 OK 13 60 - 22 - HB3 PRO 34 - HD2 LYS 32 OK 11 49 - 22 - 3.0/5209=1, ~4863=1, ~5567=1 HB3 PRO 34 - HD3 LYS 32 poor 10 45 - 22 - ~4863=1, ~5567=1 HB3 ARG 71 - HD2 LYS 32 poor 10 65 - 15 - HB2 ARG 71 - HD2 LYS 32 poor 10 65 - 15 - HB3 ARG 71 - HD3 LYS 32 poor 9 60 - 14 - HB2 ARG 71 - HD3 LYS 32 poor 9 60 - 14 - HB2 LYS 75 - HD2 LYS 32 poor 7 58 - 12 - HB2 LYS 75 - HD3 LYS 32 poor 7 53 - 13 - HB3 ARG 71 - HD2 LYS 73 lone 6 65 - 10 - HB3 ARG 71 - HD3 LYS 73 lone 6 65 - 10 - HB2 ARG 71 - HD3 LYS 73 lone 6 65 - 10 - HB2 ARG 71 - HD2 LYS 73 lone 6 65 - 10 - HB3 ARG 71 - HD2 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HD2 LYS 39 lone 5 100 - 5 - HB3 ARG 71 - HD3 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HD3 LYS 39 lone 5 100 - 5 - HB3 ARG 27 - HD3 LYS 39 lone 4 100 - 4 - HB3 ARG 27 - HD2 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HD3 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HD2 LYS 39 lone 4 100 - 4 - HB2 ARG 17 - HD2 LYS 39 lone 3 92 - 3 - HB2 ARG 17 - HD3 LYS 39 lone 3 92 - 3 - HB3 ARG 27 - HD2 LYS 32 lone 3 65 - 4 - HB2 ARG 27 - HD2 LYS 32 lone 3 65 - 4 - HB2 ARG 17 - HD2 LYS 73 lone 3 55 - 4 - HB2 ARG 17 - HD3 LYS 73 lone 3 55 - 4 - HB2 ARG 17 - HD2 LYS 32 lone 2 55 - 4 - HB2 ARG 66 - HD3 LYS 39 lone 2 81 - 3 - HB2 ARG 66 - HD2 LYS 32 lone 2 46 - 5 - HB2 ARG 66 - HD2 LYS 39 lone 2 81 - 3 - HB3 ARG 27 - HD3 LYS 32 lone 2 60 - 4 - HB2 ARG 26 - HD2 LYS 32 lone 2 39 - 6 - HB2 ARG 27 - HD3 LYS 32 lone 2 60 - 4 - HB2 ARG 17 - HD3 LYS 32 lone 2 50 - 4 - HB3 ARG 26 - HD2 LYS 32 lone 2 37 - 6 - HB2 ARG 66 - HD3 LYS 32 lone 2 42 - 5 - HB2 ARG 26 - HD3 LYS 32 lone 2 35 - 6 - HB3 ARG 26 - HD3 LYS 32 lone 2 34 - 6 - HB3 PRO 34 - HD2 LYS 73 lone 2 49 - 4 - HB3 PRO 34 - HD3 LYS 73 lone 2 49 - 4 - HB2 ARG 26 - HD2 LYS 39 lone 1 71 - 2 - HB2 ARG 26 - HD3 LYS 39 lone 1 71 - 2 - HB3 ARG 26 - HD2 LYS 39 lone 1 68 - 2 - HB3 ARG 26 - HD3 LYS 39 lone 1 68 - 2 - HB3 ARG 23 - HD3 LYS 73 lone 1 63 - 2 - HB3 ARG 23 - HD2 LYS 73 lone 1 63 - 2 - HB2 ARG 23 - HD3 LYS 73 lone 1 62 - 2 - HB2 ARG 23 - HD2 LYS 73 lone 1 62 - 2 - HB3 ARG 27 - HD3 LYS 73 lone 1 65 - 2 - HB3 ARG 27 - HD2 LYS 73 lone 1 65 - 2 - HB2 ARG 27 - HD3 LYS 73 lone 1 65 - 2 - HB2 ARG 27 - HD2 LYS 73 lone 1 65 - 2 - HB2 ARG 26 - HD2 LYS 73 lone 1 39 - 3 - HB2 ARG 26 - HD3 LYS 73 lone 1 39 - 3 - HB2 ARG 66 - HD2 LYS 73 lone 1 46 - 2 - HB2 ARG 66 - HD3 LYS 73 lone 1 46 - 2 - HB3 ARG 26 - HD3 LYS 73 lone 1 37 - 3 - HB3 ARG 26 - HD2 LYS 73 lone 1 37 - 3 - HB3 ARG 23 - HD2 LYS 32 lone 1 63 - 1 - HB2 ARG 23 - HD2 LYS 32 lone 1 62 - 1 - HB3 ARG 23 - HD3 LYS 32 lone 1 58 - 1 - HB2 ARG 23 - HD3 LYS 32 lone 1 57 - 1 - HB2 MET 11 - HD3 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HD2 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HD2 LYS 32 lone 0 31 - 1 - HB2 MET 11 - HD3 LYS 73 lone 0 31 - 1 - HB2 MET 11 - HD2 LYS 73 lone 0 31 - 1 - HB2 MET 11 - HD3 LYS 32 lone 0 28 - 1 - Peak 1885 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.12 A): 8 out of 96 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 86 100 - 86 - 3.5=69, 2.9/1869=8...(20) * HB3 LYS 39 + HD2 LYS 39 OK 86 100 - 86 - 3.5=69, 2.9/1869=8...(20) HB2 LYS 32 + HD2 LYS 32 OK 52 61 - 84 - 3.5=72, ~1558=6...(19) HB3 LYS 32 + HD2 LYS 32 OK 52 61 - 84 - 3.5=72, ~1558=6...(19) HB3 LYS 73 + HD2 LYS 73 OK 48 64 - 75 - 3.5=69, 788/6.1=2...(9) HB3 LYS 73 + HD3 LYS 73 OK 48 64 - 75 - 3.5=69, 788/6.1=2...(9) HB2 LYS 32 + HD3 LYS 32 OK 47 56 - 84 - 3.5=72, ~1558=6...(19) HB3 LYS 32 + HD3 LYS 32 OK 47 56 - 84 - 3.5=72, ~1558=6...(19) HB3 LYS 75 - HD3 LYS 39 OK 37 100 - 38 - 1865/3.0=3, ~1864=2...(17) HB3 LYS 75 - HD2 LYS 39 OK 37 100 - 38 - 1865/3.0=3, ~1864=2...(17) HB2 ARG 54 - HD3 LYS 39 OK 28 89 - 32 - 2310/3.0=3, 2312=3...(13) HB2 ARG 54 - HD2 LYS 39 OK 28 89 - 32 - 2310/3.0=3, 2312=2...(13) HB3 LYS 32 - HD2 LYS 73 OK 21 61 - 35 - 2.9/1600=1, 1571/1.8=1...(11) HB3 LYS 32 - HD3 LYS 73 OK 21 61 - 35 - 2.9/1600=1, 1571/1.8=1...(11) HB2 LYS 32 - HD2 LYS 73 OK 21 61 - 35 - 2.9/1600=1, 1571/1.8=1...(11) HB2 LYS 32 - HD3 LYS 73 OK 21 61 - 35 - 2.9/1600=1, 1571/1.8=1...(11) HB3 LYS 75 - HD3 LYS 73 OK 17 64 - 27 - 2982/2.9=1, ~2972=1 HB3 LYS 75 - HD2 LYS 73 OK 17 64 - 27 - 2982/2.9=1, ~2972=1 HB3 LYS 73 - HD3 LYS 39 OK 16 100 - 16 - 1865/3.0=1, 1875/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 16 64 - 25 - 1597/3.0=1, 1586/3.0=1 HB3 LYS 73 - HD2 LYS 39 OK 16 100 - 16 - 1865/3.0=1, 1875/3.0=1 HB2 LYS 32 - HD3 LYS 39 OK 16 98 - 16 - 1865/3.0=1 HB3 LYS 32 - HD3 LYS 39 OK 16 98 - 16 - 1865/3.0=1 HB3 LYS 39 - HD3 LYS 73 OK 15 65 - 23 - 2.9/1868=1, 2.9/1878=1 HB3 LYS 39 - HD2 LYS 73 OK 15 65 - 23 - 2.9/1868=1, 2.9/1878=1 HB3 LYS 73 - HD3 LYS 32 OK 15 59 - 26 - 1596/3.0=1, 1586/3.0=1 HB2 PRO 34 - HD3 LYS 39 OK 14 100 - 15 - 1865/3.0=1, 3.0/5209=1...(8) HB2 PRO 34 - HD2 LYS 39 OK 14 100 - 15 - 1865/3.0=1, 3.0/5209=1...(8) HB2 LYS 32 - HD2 LYS 39 OK 14 98 - 14 - 1865/3.0=1 HB3 LYS 32 - HD2 LYS 39 OK 14 98 - 14 - 1865/3.0=1 HG2 PRO 34 - HD3 LYS 39 OK 12 76 - 16 - 4242/5942=1, ~5207=1...(6) HG2 PRO 34 - HD2 LYS 39 OK 12 76 - 16 - 4242/5942=1, ~5207=1...(6) HB2 LYS 13 - HD3 LYS 39 OK 11 99 - 11 - 1875/3.0=1, 1865/3.0=1, ~1013=1 HB2 LYS 13 - HD2 LYS 39 OK 11 99 - 11 - 1875/3.0=1, 1865/3.0=1, ~1013=1 HB2 PRO 34 - HD2 LYS 32 OK 11 65 - 17 - 1586/3.0=1, 1597/3.0=1 HB2 ARG 54 - HD2 LYS 32 OK 10 52 - 20 - 1597/3.0=2, 1587/3.0=2...(5) HB2 PRO 34 - HD3 LYS 32 poor 10 60 - 17 - 1586/3.0=1, 1596/3.0=1 HB3 LYS 39 - HD3 LYS 32 poor 10 60 - 16 - HB3 LYS 39 - HD2 LYS 32 poor 10 65 - 15 - HB2 ARG 54 - HD3 LYS 32 poor 9 47 - 20 - 1597/3.0=2, 1586/3.0=2...(5) HG2 PRO 34 - HD2 LYS 32 poor 8 42 - 20 - 1597/3.0=1, 1586/3.0=1 HB2 LYS 85 - HD2 LYS 73 poor 8 47 - 17 - ~3448=1 HB2 LYS 85 - HD3 LYS 73 poor 8 47 - 17 - ~3448=1 HB2 LYS 13 - HD2 LYS 73 poor 8 63 - 12 - HB2 LYS 13 - HD3 LYS 73 poor 8 63 - 12 - HG2 PRO 34 - HD3 LYS 32 poor 7 38 - 19 - 1596/3.0=1, 1587/3.0=1 HB2 LEU 57 - HD3 LYS 39 lone 7 90 - 8 - 4982/3.0=1 HB2 LEU 57 - HD2 LYS 39 lone 7 90 - 8 - 4982/3.0=1 HB3 LYS 75 - HD2 LYS 32 lone 6 64 - 10 - HB3 LYS 75 - HD3 LYS 32 poor 6 59 - 10 - HB ILE 33 - HD2 LYS 32 poor 6 56 - 11 - 4219/3.0=2, 1587/3.0=1, ~5195=1 HB3 ARG 84 - HD2 LYS 73 poor 6 47 - 12 - HB3 ARG 84 - HD3 LYS 73 poor 6 47 - 12 - HB2 LYS 85 - HD3 LYS 39 lone 5 83 - 6 - HB2 LYS 85 - HD2 LYS 39 lone 5 83 - 6 - HB2 LYS 83 - HD2 LYS 39 lone 5 100 - 5 - HB2 LYS 83 - HD3 LYS 39 lone 5 100 - 5 - HB2 ARG 69 - HD2 LYS 39 lone 5 83 - 6 - HB ILE 33 - HD3 LYS 32 lone 5 51 - 10 - 4219/3.0=2, 1586/3.0=1, ~5195=1 HB2 ARG 69 - HD3 LYS 39 lone 5 83 - 6 - HB3 ARG 82 - HD3 LYS 39 lone 5 89 - 5 - HB3 ARG 82 - HD2 LYS 39 lone 5 89 - 5 - HB2 LYS 83 - HD2 LYS 73 lone 5 65 - 7 - 4.0/5896=1 HB2 LYS 83 - HD3 LYS 73 lone 5 65 - 7 - 4.0/5896=1 HB2 ARG 69 - HD2 LYS 73 lone 4 47 - 10 - 2797/2.9=1 HB2 ARG 69 - HD3 LYS 73 lone 4 47 - 10 - 2797/2.9=1 HB2 LEU 57 - HD2 LYS 73 lone 4 53 - 8 - 2438/2.9=1 HB2 LEU 57 - HD3 LYS 73 lone 4 53 - 8 - 2438/2.9=1 HB ILE 33 - HD3 LYS 39 lone 4 93 - 5 - 4.8/5209=1 HB ILE 33 - HD2 LYS 39 lone 4 93 - 4 - 4.8/5209=1 HB3 ARG 84 - HD3 LYS 39 lone 4 83 - 5 - HB3 ARG 84 - HD2 LYS 39 lone 4 83 - 5 - HB2 LEU 57 - HD2 LYS 32 lone 4 53 - 7 - HB2 LEU 57 - HD3 LYS 32 lone 3 49 - 7 - HB3 ARG 84 - HD2 LYS 32 lone 3 47 - 6 - HB2 LYS 13 - HD2 LYS 32 lone 3 63 - 5 - HB3 ARG 82 - HD3 LYS 73 lone 3 52 - 6 - HB3 ARG 82 - HD2 LYS 73 lone 3 52 - 6 - HB2 LYS 13 - HD3 LYS 32 lone 3 58 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 3 43 - 6 - HB2 ARG 69 - HD2 LYS 32 lone 2 47 - 5 - HB2 ARG 69 - HD3 LYS 32 lone 2 43 - 5 - HB2 PRO 34 - HD2 LYS 73 lone 2 65 - 3 - HB2 PRO 34 - HD3 LYS 73 lone 2 65 - 3 - HB2 ARG 54 - HD3 LYS 73 lone 2 52 - 4 - HB2 ARG 54 - HD2 LYS 73 lone 2 52 - 4 - HB3 ARG 82 - HD2 LYS 32 lone 2 52 - 4 - HB2 LYS 85 - HD2 LYS 32 lone 2 47 - 4 - HB3 ARG 82 - HD3 LYS 32 lone 2 47 - 4 - HB2 LYS 85 - HD3 LYS 32 lone 2 43 - 4 - HG2 PRO 34 - HD3 LYS 73 lone 2 42 - 4 - HG2 PRO 34 - HD2 LYS 73 lone 2 42 - 4 - HB2 LYS 83 - HD2 LYS 32 lone 1 65 - 2 - HB2 LYS 83 - HD3 LYS 32 lone 1 60 - 2 - HB ILE 33 - HD2 LYS 73 lone 1 56 - 2 - HB ILE 33 - HD3 LYS 73 lone 1 56 - 2 - Peak 1886 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 2.47 A): 2 out of 48 assignments used, quality = 0.93: HG2 LYS 39 + HD3 LYS 39 OK 74 100 - 74 - 3.0=58, 1869/1.8=8...(13) * HG2 LYS 39 + HD2 LYS 39 OK 74 100 - 74 - 3.0=58, 1869/1.8=8...(13) HB3 ARG 54 - HD3 LYS 39 OK 19 100 - 20 - 1876/3.0=2, 1.8/2312=2...(5) HB3 ARG 54 - HD2 LYS 39 OK 19 100 - 19 - 1876/3.0=2, 1.8/2312=2...(5) HG LEU 64 - HD2 LYS 39 OK 15 99 - 16 - 1876/3.0=2, ~5206=1...(6) HG LEU 64 - HD3 LYS 39 OK 15 99 - 16 - 1876/3.0=2, ~5206=1...(6) HG2 LYS 39 - HD3 LYS 73 OK 10 65 - 16 - 1868=2, 1868/1.8=1, 1867/2.9=1 HG2 LYS 39 - HD2 LYS 73 OK 10 65 - 16 - 1868=2, 1868/1.8=1, 1867/2.9=1 HB3 LEU 86 - HD3 LYS 39 OK 10 92 - 11 - 1876/3.0=1 HB3 LEU 86 - HD2 LYS 39 poor 10 92 - 11 - 1876/3.0=1 HB3 ARG 54 - HD2 LYS 32 poor 9 65 - 14 - 2319/3.0=1, 2319/3.0=1...(4) HB3 ARG 54 - HD3 LYS 32 poor 9 60 - 14 - 2319/3.0=1, 2319/3.0=1...(4) HG3 ARG 54 - HD3 LYS 39 poor 8 63 - 14 - 1.8/2328=1, 1876/3.0=1 HG3 ARG 54 - HD2 LYS 39 poor 8 63 - 13 - 1.8/2328=1, 1876/3.0=1 HG2 LYS 39 - HD2 LYS 32 poor 7 65 - 11 - 1868=1 HG2 LYS 39 - HD3 LYS 32 poor 7 60 - 12 - 1868=1 HG LEU 62 - HD3 LYS 39 lone 6 87 - 7 - HG LEU 62 - HD2 LYS 39 lone 6 87 - 7 - HG3 ARG 23 - HD3 LYS 39 lone 6 99 - 6 - HG3 ARG 23 - HD2 LYS 39 lone 6 99 - 6 - HG3 ARG 54 - HD2 LYS 32 poor 4 34 - 12 - HG3 ARG 54 - HD3 LYS 32 poor 4 31 - 12 - HG2 ARG 82 - HD3 LYS 39 lone 2 83 - 2 - HG2 ARG 82 - HD2 LYS 39 lone 2 83 - 2 - HB3 LEU 86 - HD2 LYS 73 lone 2 55 - 3 - HB3 LEU 86 - HD3 LYS 73 lone 2 55 - 3 - HG LEU 62 - HD2 LYS 73 lone 2 50 - 3 - HG LEU 62 - HD3 LYS 73 lone 2 50 - 3 - HB3 ARG 54 - HD2 LYS 73 lone 1 65 - 2 - HB3 ARG 54 - HD3 LYS 73 lone 1 65 - 2 - HG LEU 62 - HD2 LYS 32 lone 1 50 - 3 - HG LEU 62 - HD3 LYS 32 lone 1 46 - 3 - HB3 LEU 86 - HD2 LYS 32 lone 1 55 - 2 - HB3 LEU 86 - HD3 LYS 32 lone 1 50 - 2 - HG LEU 64 - HD2 LYS 32 lone 1 62 - 2 - HG2 ARG 82 - HD2 LYS 73 lone 1 47 - 2 - HG2 ARG 82 - HD3 LYS 73 lone 1 47 - 2 - HG LEU 64 - HD3 LYS 32 lone 1 57 - 1 - HG2 ARG 82 - HD2 LYS 32 lone 1 47 - 2 - HG2 ARG 82 - HD3 LYS 32 lone 1 43 - 2 - HG3 ARG 23 - HD3 LYS 73 lone 1 63 - 1 - HG3 ARG 23 - HD2 LYS 73 lone 1 63 - 1 - HG LEU 64 - HD2 LYS 73 lone 1 62 - 1 - HG LEU 64 - HD3 LYS 73 lone 1 62 - 1 - HG3 ARG 23 - HD2 LYS 32 lone 0 63 - 1 - HG3 ARG 54 - HD2 LYS 73 lone 0 34 - 1 - HG3 ARG 54 - HD3 LYS 73 lone 0 34 - 1 - HG3 ARG 23 - HD3 LYS 32 lone 0 58 - 1 - Peak 1887 from cnoeabs.peaks (1.40, 1.58, 28.78 ppm; 3.31 A): 4 out of 72 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 52 52 - 100 - 2.9=100 HG3 LYS 73 + HD2 LYS 73 OK 52 52 - 100 - 2.9=100 HG2 LYS 75 - HD3 LYS 39 OK 44 92 - 48 - 1867/3.0=5, ~1867=2...(15) HG3 LYS 75 - HD3 LYS 39 OK 44 92 - 48 - 1867/3.0=5, ~1867=2...(15) HG3 LYS 75 - HD2 LYS 39 OK 43 92 - 47 - 1867/3.0=5, ~1867=2...(15) HG2 LYS 75 - HD2 LYS 39 OK 43 92 - 47 - 1867/3.0=5, ~1867=2...(15) HG2 LYS 75 - HD3 LYS 73 OK 22 55 - 41 - 2993/2.9=1, 3098/3.5=1 HG2 LYS 75 - HD2 LYS 73 OK 22 55 - 41 - 2993/2.9=1, 3098/3.5=1 HG3 LYS 75 - HD3 LYS 73 OK 22 55 - 41 - 2993/2.9=1, 3098/3.5=1 HG3 LYS 75 - HD2 LYS 73 OK 22 55 - 41 - 2993/2.9=1, 3098/3.5=1 HG3 LYS 39 - HD2 LYS 73 OK 19 65 - 30 - 1878=2, 1.8/1868=2...(6) HG3 LYS 39 - HD3 LYS 73 OK 19 65 - 30 - 1878=2, 1.8/1868=2...(6) HG3 LYS 73 - HD3 LYS 39 OK 19 89 - 21 - 1867/3.0=2 HG3 LYS 73 - HD2 LYS 39 OK 19 89 - 21 - 1867/3.0=2 HG3 LYS 73 - HD2 LYS 32 OK 18 52 - 34 - 1.8/2995=2, ~2995=2...(8) HG3 LYS 73 - HD3 LYS 32 OK 16 47 - 35 - 1.8/2995=2, ~2995=2...(8) HG2 LYS 13 - HD3 LYS 39 OK 15 85 - 18 - 1867/3.0=2, 1021/3.5=2 HG2 LYS 13 - HD2 LYS 39 OK 15 85 - 18 - 1867/3.0=2, 1021/3.5=2 HG3 LYS 39 - HD2 LYS 32 OK 14 65 - 22 - 1878=1, 1.8/1868=1...(5) HG3 LYS 39 - HD3 LYS 32 OK 14 60 - 23 - 1878=1, 1.8/1868=1...(5) HB3 ARG 69 - HD2 LYS 73 OK 10 61 - 17 - 2802/3.5=2, 2802/3.5=2...(5) HB3 ARG 69 - HD3 LYS 73 OK 10 61 - 17 - 2802/3.5=2, 2802/3.5=2...(5) QB ALA 53 - HD3 LYS 39 poor 10 96 - 10 - 3.6/679=2, 1867/3.0=1, ~2295=1 QB ALA 53 - HD2 LYS 39 poor 10 96 - 10 - 3.6/679=2, 1867/3.0=1, ~2295=1 HG2 LYS 75 - HD2 LYS 32 poor 10 55 - 17 - HG3 LYS 75 - HD2 LYS 32 poor 10 55 - 17 - HG2 LYS 13 - HD2 LYS 73 poor 9 49 - 19 - 1021/3.5=1, 1024/2.9=1 HG2 LYS 13 - HD3 LYS 73 poor 9 49 - 19 - 1021/3.5=1, 1024/2.9=1 HB3 ARG 69 - HD2 LYS 39 lone 9 97 - 9 - 1867/3.0=1, 2802/3.5=1 HB3 ARG 69 - HD3 LYS 39 lone 9 97 - 9 - 1867/3.0=1, 2802/3.5=1 HG3 LYS 75 - HD3 LYS 32 poor 9 50 - 18 - HG2 LYS 75 - HD3 LYS 32 poor 9 50 - 18 - HG2 LYS 85 - HD3 LYS 73 poor 8 36 - 23 - 3002/2.9=1 HG2 LYS 85 - HD2 LYS 73 poor 8 36 - 23 - 3002/2.9=1 QB ALA 53 - HD2 LYS 73 lone 5 58 - 9 - 2.9/4964=1, ~203=1 QB ALA 53 - HD3 LYS 73 lone 5 58 - 9 - 2.9/4964=1, ~203=1 HB3 ARG 69 - HD2 LYS 32 lone 5 61 - 8 - 4766/5.1=1 HG2 LYS 85 - HD3 LYS 39 lone 4 65 - 7 - HG2 LYS 85 - HD2 LYS 39 lone 4 65 - 7 - HB3 ARG 69 - HD3 LYS 32 lone 4 55 - 8 - 4766/5.1=1 HG3 ARG 69 - HD3 LYS 39 lone 4 63 - 7 - HG3 ARG 69 - HD2 LYS 39 lone 4 63 - 7 - HG3 ARG 69 - HD2 LYS 73 poor 4 34 - 12 - 2818/3.5=1 HG3 ARG 69 - HD3 LYS 73 poor 4 34 - 12 - 2818/3.5=1 HG2 LYS 13 - HD2 LYS 32 lone 4 49 - 7 - HG2 LYS 13 - HD3 LYS 32 lone 3 45 - 7 - QB ALA 53 - HD2 LYS 32 lone 3 58 - 5 - QB ALA 53 - HD3 LYS 32 lone 3 53 - 5 - QB ALA 78 - HD3 LYS 73 lone 2 52 - 4 - QB ALA 78 - HD2 LYS 73 lone 2 52 - 4 - HG2 LYS 85 - HD2 LYS 32 lone 2 36 - 5 - HG3 ARG 69 - HD2 LYS 32 lone 2 34 - 5 - HG2 LYS 85 - HD3 LYS 32 lone 2 32 - 5 - HG3 ARG 69 - HD3 LYS 32 lone 2 31 - 5 - QB ALA 78 - HD3 LYS 39 lone 1 89 - 2 - QB ALA 78 - HD2 LYS 39 lone 1 89 - 2 - QB ALA 20 - HD2 LYS 39 lone 1 65 - 2 - QB ALA 20 - HD3 LYS 39 lone 1 65 - 2 - QB ALA 77 - HD2 LYS 39 lone 1 60 - 2 - QB ALA 77 - HD3 LYS 39 lone 1 60 - 2 - QB ALA 77 - HD2 LYS 73 lone 1 32 - 3 - QB ALA 77 - HD3 LYS 73 lone 1 32 - 3 - QB ALA 78 - HD2 LYS 32 lone 0 52 - 1 - QB ALA 20 - HD2 LYS 73 lone 0 36 - 1 - QB ALA 20 - HD3 LYS 73 lone 0 36 - 1 - QB ALA 78 - HD3 LYS 32 lone 0 47 - 1 - QB ALA 20 - HD2 LYS 32 lone 0 36 - 1 - QB ALA 20 - HD3 LYS 32 lone 0 32 - 1 - QB ALA 77 - HD2 LYS 32 lone 0 32 - 1 - QB ALA 77 - HD3 LYS 32 lone 0 29 - 1 - Peak 1888 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 73 - HD2 LYS 73 OK 36 36 - 100 HD3 LYS 73 - HD3 LYS 73 OK 36 36 - 100 HD2 LYS 32 - HD2 LYS 32 OK 36 36 - 100 HD3 LYS 32 - HD3 LYS 32 OK 29 29 - 100 Peak 1889 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 73 - HD3 LYS 73 OK 34 34 - 100 HD2 LYS 73 - HD2 LYS 73 OK 34 34 - 100 HD2 LYS 32 - HD2 LYS 32 OK 34 34 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 1890 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.28 A): 4 out of 66 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 - HD2 LYS 32 OK 42 42 - 100 - 3.0=100 HE2 LYS 73 - HD3 LYS 73 OK 41 41 - 100 - 3.0=100 HE2 LYS 32 - HD2 LYS 32 OK 41 41 - 100 - 3.0=100 HE2 LYS 73 - HD2 LYS 73 OK 41 41 - 100 - 3.0=100 HE3 LYS 73 - HD2 LYS 73 OK 39 39 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 73 OK 39 39 - 100 - 3.0=100 HE3 LYS 32 - HD3 LYS 32 OK 38 38 - 100 - 3.0=100 HE2 LYS 32 - HD3 LYS 32 OK 37 37 - 100 - 3.0=100 HE2 LYS 75 - HD3 LYS 39 OK 26 90 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE2 LYS 75 - HD2 LYS 39 OK 26 90 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE3 LYS 75 - HD3 LYS 39 OK 26 89 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE3 LYS 75 - HD2 LYS 39 OK 25 89 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE2 LYS 13 - HD3 LYS 39 OK 16 97 - 17 - 1881/3.0=1, 1871/3.0=1 HE3 LYS 13 - HD3 LYS 39 OK 16 97 - 17 - 1881/3.0=1, 1871/3.0=1 HE2 LYS 13 - HD2 LYS 39 OK 16 97 - 16 - 1881/3.0=1, 1871/3.0=1 HE3 LYS 13 - HD2 LYS 39 OK 16 97 - 16 - 1881/3.0=1, 1871/3.0=1 HE2 LYS 75 - HD3 LYS 73 OK 13 53 - 24 - HE2 LYS 75 - HD2 LYS 73 OK 13 53 - 24 - HE3 LYS 75 - HD2 LYS 73 OK 13 52 - 24 - HE3 LYS 75 - HD3 LYS 73 OK 13 52 - 24 - HE2 LYS 73 - HD2 LYS 32 OK 11 41 - 28 - 1638/3.0=2, ~1602=1...(8) HE3 LYS 73 - HD2 LYS 32 OK 11 39 - 28 - 1638/3.0=2, ~1602=1...(8) HE2 LYS 73 - HD3 LYS 32 OK 10 37 - 28 - 1638/3.0=2, ~1602=1...(8) HE2 LYS 73 - HD3 LYS 39 OK 10 73 - 14 - HE2 LYS 73 - HD2 LYS 39 poor 10 73 - 14 - HE3 LYS 73 - HD3 LYS 32 poor 10 35 - 28 - 1638/3.0=2, ~1602=1...(8) HE3 LYS 73 - HD3 LYS 39 poor 10 71 - 14 - HE3 LYS 73 - HD2 LYS 39 poor 10 71 - 14 - HE3 LYS 32 - HD3 LYS 39 poor 9 76 - 12 - HE3 LYS 32 - HD2 LYS 39 poor 9 76 - 12 - HE2 LYS 32 - HD3 LYS 39 poor 9 73 - 12 - HE2 LYS 13 - HD3 LYS 73 poor 9 61 - 14 - HE2 LYS 13 - HD2 LYS 73 poor 9 61 - 14 - HE2 LYS 32 - HD2 LYS 39 poor 9 73 - 12 - HE3 LYS 13 - HD2 LYS 73 poor 9 60 - 14 - HE3 LYS 13 - HD3 LYS 73 poor 9 60 - 14 - HE3 LYS 39 - HD2 LYS 32 poor 8 65 - 11 - HE3 LYS 32 - HD2 LYS 73 poor 7 42 - 18 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 32 - HD3 LYS 73 poor 7 42 - 18 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 39 - HD2 LYS 32 poor 7 65 - 11 - HE2 LYS 32 - HD2 LYS 73 poor 7 41 - 18 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 32 - HD3 LYS 73 poor 7 41 - 18 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 39 - HD2 LYS 73 poor 7 65 - 11 - HE3 LYS 39 - HD3 LYS 73 poor 7 65 - 11 - HE2 LYS 39 - HD3 LYS 73 poor 7 65 - 11 - HE2 LYS 39 - HD2 LYS 73 poor 7 65 - 11 - HE3 LYS 39 - HD3 LYS 32 poor 7 60 - 11 - HE2 LYS 39 - HD3 LYS 32 poor 7 60 - 11 - HE2 LYS 75 - HD2 LYS 32 poor 7 53 - 13 - HE3 LYS 75 - HD2 LYS 32 poor 7 52 - 12 - HE2 LYS 75 - HD3 LYS 32 poor 6 49 - 13 - HE3 LYS 75 - HD3 LYS 32 poor 6 47 - 13 - HB3 TYR 81 - HD3 LYS 39 lone 5 100 - 5 - ~4684=1 HB3 TYR 81 - HD2 LYS 39 lone 5 100 - 5 - ~4684=1 HE2 LYS 13 - HD2 LYS 32 lone 4 61 - 7 - HE3 LYS 13 - HD2 LYS 32 lone 4 60 - 7 - HE2 LYS 13 - HD3 LYS 32 lone 4 55 - 7 - HE3 LYS 13 - HD3 LYS 32 lone 4 54 - 7 - HB3 TYR 81 - HD3 LYS 73 lone 2 65 - 3 - HB3 TYR 81 - HD2 LYS 73 lone 2 65 - 3 - HB3 TYR 81 - HD2 LYS 32 lone 1 65 - 2 - HB3 TYR 81 - HD3 LYS 32 lone 1 60 - 2 - Peak 1891 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.28 A): 4 out of 66 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 - HD2 LYS 32 OK 39 39 - 100 - 3.0=100 HE2 LYS 73 - HD2 LYS 73 OK 37 37 - 100 - 3.0=100 HE2 LYS 32 - HD2 LYS 32 OK 37 37 - 100 - 3.0=100 HE2 LYS 73 - HD3 LYS 73 OK 37 37 - 100 - 3.0=100 HE3 LYS 73 - HD2 LYS 73 OK 36 36 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 73 OK 36 36 - 100 - 3.0=100 HE3 LYS 32 - HD3 LYS 32 OK 35 35 - 100 - 3.0=100 HE2 LYS 32 - HD3 LYS 32 OK 34 34 - 100 - 3.0=100 HE2 LYS 75 - HD3 LYS 39 OK 25 87 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE2 LYS 75 - HD2 LYS 39 OK 25 87 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE3 LYS 75 - HD3 LYS 39 OK 25 85 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE3 LYS 75 - HD2 LYS 39 OK 24 85 - 29 - 1870/3.0=2, 1880/3.0=2...(9) HE2 LYS 13 - HD3 LYS 39 OK 16 96 - 17 - 1881/3.0=1, 1871/3.0=1 HE2 LYS 13 - HD2 LYS 39 OK 16 96 - 16 - 1881/3.0=1, 1871/3.0=1 HE3 LYS 13 - HD3 LYS 39 OK 16 94 - 17 - 1881/3.0=1, 1871/3.0=1 HE3 LYS 13 - HD2 LYS 39 OK 16 95 - 16 - 1881/3.0=1, 1871/3.0=1 HE2 LYS 75 - HD3 LYS 73 OK 12 50 - 24 - HE2 LYS 75 - HD2 LYS 73 OK 12 50 - 24 - HE3 LYS 75 - HD2 LYS 73 OK 12 49 - 24 - HE3 LYS 75 - HD3 LYS 73 OK 12 49 - 24 - HE2 LYS 73 - HD2 LYS 32 OK 10 37 - 28 - 1638/3.0=2, ~1602=1...(8) HE3 LYS 73 - HD2 LYS 32 poor 10 36 - 28 - 1638/3.0=2, ~1602=1...(8) HE2 LYS 73 - HD3 LYS 39 poor 9 68 - 14 - HE2 LYS 73 - HD3 LYS 32 poor 9 34 - 28 - 1638/3.0=2, ~1602=1...(8) HE2 LYS 73 - HD2 LYS 39 poor 9 68 - 13 - HE3 LYS 73 - HD3 LYS 39 poor 9 65 - 14 - HE3 LYS 73 - HD2 LYS 39 poor 9 65 - 14 - HE3 LYS 73 - HD3 LYS 32 poor 9 32 - 28 - 1638/3.0=2, ~1602=1...(8) HE3 LYS 32 - HD3 LYS 39 poor 8 71 - 12 - HE2 LYS 13 - HD3 LYS 73 poor 8 58 - 14 - HE2 LYS 13 - HD2 LYS 73 poor 8 58 - 14 - HE3 LYS 32 - HD2 LYS 39 poor 8 71 - 12 - HE3 LYS 13 - HD2 LYS 73 poor 8 57 - 14 - HE3 LYS 13 - HD3 LYS 73 poor 8 57 - 14 - HE2 LYS 32 - HD3 LYS 39 poor 8 68 - 12 - HE2 LYS 32 - HD2 LYS 39 poor 8 68 - 12 - HE3 LYS 39 - HD2 LYS 32 poor 8 65 - 11 - HE2 LYS 39 - HD2 LYS 32 poor 7 65 - 11 - HE3 LYS 39 - HD3 LYS 73 poor 7 65 - 11 - HE3 LYS 39 - HD2 LYS 73 poor 7 65 - 11 - HE2 LYS 39 - HD3 LYS 73 poor 7 65 - 11 - HE2 LYS 39 - HD2 LYS 73 poor 7 65 - 11 - HE3 LYS 39 - HD3 LYS 32 poor 7 60 - 11 - HE3 LYS 32 - HD2 LYS 73 poor 7 39 - 18 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 32 - HD3 LYS 73 poor 7 39 - 18 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 39 - HD3 LYS 32 poor 7 60 - 11 - HE2 LYS 32 - HD3 LYS 73 poor 7 37 - 18 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 32 - HD2 LYS 73 poor 7 37 - 18 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 75 - HD2 LYS 32 poor 6 50 - 12 - HE3 LYS 75 - HD2 LYS 32 poor 6 49 - 12 - HE2 LYS 75 - HD3 LYS 32 poor 6 46 - 13 - HE3 LYS 75 - HD3 LYS 32 poor 6 45 - 13 - HB3 TYR 81 - HD3 LYS 39 lone 5 100 - 5 - ~4684=1 HB3 TYR 81 - HD2 LYS 39 lone 5 100 - 5 - ~4684=1 HE2 LYS 13 - HD2 LYS 32 lone 4 58 - 7 - HE3 LYS 13 - HD2 LYS 32 lone 4 57 - 7 - HE2 LYS 13 - HD3 LYS 32 lone 4 53 - 7 - HE3 LYS 13 - HD3 LYS 32 lone 4 52 - 7 - HB3 TYR 81 - HD2 LYS 73 lone 2 65 - 3 - HB3 TYR 81 - HD3 LYS 73 lone 2 65 - 3 - HB3 TYR 81 - HD2 LYS 32 lone 1 65 - 2 - HB3 TYR 81 - HD3 LYS 32 lone 1 60 - 2 - Peak 1893 from cnoeabs.peaks (4.25, 1.58, 28.78 ppm; 4.55 A): 4 out of 70 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 95 100 - 95 - 5.0=74, 1836/3.0=14...(24) HA LYS 39 + HD2 LYS 39 OK 95 100 - 95 - 5.0=74, 1836/3.0=14...(22) HA LYS 75 + HD3 LYS 39 OK 63 99 - 64 - 1873/3.0=8, 1863/3.0=8...(26) HA LYS 75 + HD2 LYS 39 OK 63 99 - 64 - 1873/3.0=8, 1863/3.0=8...(26) HA LEU 64 - HD3 LYS 39 OK 43 97 - 44 - 2616/3.0=8, 1873/3.0=7...(14) HA LEU 64 - HD2 LYS 39 OK 43 97 - 44 - 2616/3.0=8, 1873/3.0=7...(14) HA LYS 75 - HD3 LYS 73 OK 33 61 - 54 - 3068/3.5=5, 3070/2.9=4...(20) HA LYS 75 - HD2 LYS 73 OK 33 61 - 54 - 3068/3.5=5, 3070/2.9=4...(20) HA LYS 39 - HD3 LYS 73 OK 26 63 - 42 - 1837/2.9=3, 1838=3...(14) HA LYS 39 - HD2 LYS 73 OK 26 63 - 42 - 1837/2.9=3, 1838=3...(14) HA LYS 39 - HD2 LYS 32 OK 17 63 - 27 - 1838=2, 1838/1.8=2...(8) HA LYS 85 - HD2 LYS 73 OK 16 44 - 38 - 3428/2.9=3, 3427/2.9=2...(17) HA LYS 85 - HD3 LYS 73 OK 16 44 - 38 - 3428/2.9=3, 3427/2.9=2...(17) HA LYS 83 - HD3 LYS 39 OK 15 99 - 15 - 2.9/5896=2, 1873/3.0=2...(4) HA LYS 83 - HD2 LYS 39 OK 15 99 - 15 - 2.9/5896=2, 1873/3.0=2...(4) HA LYS 75 - HD2 LYS 32 OK 13 61 - 21 - 3069/3.5=1, 3069/3.5=1...(4) HA LYS 83 - HD3 LYS 73 OK 12 60 - 19 - 2.9/5896=3, ~5896=2...(6) HA LYS 83 - HD2 LYS 73 OK 12 60 - 19 - 2.9/5896=3, ~5896=2...(6) HA LYS 85 - HD3 LYS 39 OK 11 81 - 14 - 1863/3.0=2, 1873/3.0=2 HA LYS 85 - HD2 LYS 39 OK 11 81 - 14 - 1863/3.0=2, 1873/3.0=2 HA ASP 38 - HD3 LYS 39 poor 9 60 - 16 - 3.6/598=10, 1873/3.0=2...(4) HA ASP 38 - HD2 LYS 39 poor 9 60 - 16 - 3.6/598=10, 1873/3.0=2...(4) HA ALA 20 - HD3 LYS 39 lone 4 97 - 4 - HA ALA 20 - HD2 LYS 39 lone 4 97 - 4 - HA LYS 83 - HD2 LYS 32 lone 4 60 - 7 - HB THR 37 - HD3 LYS 39 lone 4 65 - 6 - 592/6.2=2 HB THR 37 - HD2 LYS 39 lone 4 65 - 6 - 592/6.2=2 HA ARG 17 - HD3 LYS 39 lone 4 63 - 6 - HA ARG 17 - HD2 LYS 39 lone 4 63 - 6 - HA GLU 19 - HD3 LYS 39 lone 3 99 - 3 - HA GLU 19 - HD2 LYS 39 lone 3 99 - 3 - HA LEU 64 - HD2 LYS 32 lone 3 58 - 6 - 4693/6.1=2 HA THR 15 - HD3 LYS 39 lone 3 100 - 3 - HA THR 15 - HD2 LYS 39 lone 3 100 - 3 - HA ALA 77 - HD3 LYS 39 lone 3 89 - 3 - HA ALA 77 - HD2 LYS 39 lone 3 89 - 3 - HA LYS 85 - HD2 LYS 32 lone 3 44 - 7 - HA ALA 12 - HD3 LYS 39 lone 3 99 - 3 - HA ARG 17 - HD2 LYS 73 lone 3 32 - 9 - HA ARG 17 - HD3 LYS 73 lone 3 32 - 9 - HA ALA 12 - HD2 LYS 39 lone 3 99 - 3 - HA LEU 64 - HD2 LYS 73 lone 3 58 - 5 - HA LEU 64 - HD3 LYS 73 lone 3 58 - 5 - HA ARG 17 - HD2 LYS 32 lone 2 32 - 7 - HA ALA 12 - HD2 LYS 32 lone 2 60 - 3 - HA ALA 77 - HD3 LYS 73 lone 2 50 - 4 - HA ALA 77 - HD2 LYS 73 lone 2 50 - 4 - HA THR 15 - HD3 LYS 73 lone 2 62 - 3 - HA THR 15 - HD2 LYS 73 lone 2 62 - 3 - HA SER 60 - HD3 LYS 39 lone 2 63 - 3 - HA SER 60 - HD2 LYS 39 lone 2 63 - 3 - HA SER 60 - HD2 LYS 73 lone 1 32 - 4 - 4995/2.9=2 HA SER 60 - HD3 LYS 73 lone 1 32 - 4 - 4995/2.9=2 HA ALA 20 - HD3 LYS 73 lone 1 57 - 2 - HA ALA 20 - HD2 LYS 73 lone 1 57 - 2 - HA GLU 19 - HD2 LYS 73 lone 1 60 - 2 - HA GLU 19 - HD3 LYS 73 lone 1 60 - 2 - HB THR 37 - HD2 LYS 32 lone 1 34 - 3 - ~6128=1 HA ALA 12 - HD2 LYS 73 lone 1 60 - 2 - HA ALA 12 - HD3 LYS 73 lone 1 60 - 2 - HA THR 15 - HD2 LYS 32 lone 1 62 - 2 - HA GLU 19 - HD2 LYS 32 lone 1 60 - 2 - HA ASP 38 - HD3 LYS 73 lone 1 31 - 3 - 3.6/5941=2 HA ASP 38 - HD2 LYS 73 lone 1 31 - 3 - 3.6/5941=2 HA SER 60 - HD2 LYS 32 lone 1 32 - 3 - HA ALA 20 - HD2 LYS 32 lone 1 57 - 2 - HA ALA 77 - HD2 LYS 32 lone 1 50 - 2 - HA ASP 38 - HD2 LYS 32 lone 1 31 - 2 - HB THR 37 - HD2 LYS 73 lone 1 34 - 2 - HB THR 37 - HD3 LYS 73 lone 1 34 - 2 - Peak 1894 from cnoeabs.peaks (1.85, 1.58, 28.78 ppm; 3.69 A): 4 out of 70 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.5=100 HB2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.5=100 HB2 LYS 75 + HD3 LYS 39 OK 49 96 - 51 - 1864/3.0=6, 1874/3.0=5...(20) HB2 LYS 75 + HD2 LYS 39 OK 49 96 - 51 - 1864/3.0=6, 1874/3.0=5...(21) HB2 LYS 39 - HD2 LYS 73 OK 22 63 - 35 - 1849=2, 2.9/1868=1...(6) HB2 LYS 39 - HD3 LYS 73 OK 22 63 - 35 - 1849=2, 2.9/1868=1...(6) HB2 LYS 75 - HD3 LYS 73 OK 20 56 - 36 - 2972/2.9=1, 1849=1...(9) HB2 LYS 75 - HD2 LYS 73 OK 20 56 - 36 - 2972/2.9=1, 1849=1...(9) HB3 PRO 34 - HD3 LYS 39 OK 18 85 - 21 - 1864/3.0=3, 1874/3.0=2...(9) HB3 PRO 34 - HD2 LYS 39 OK 18 85 - 21 - 1864/3.0=3, 1874/3.0=2...(9) HB3 ARG 23 - HD3 LYS 39 OK 16 99 - 16 - 1864/3.0=2, 1874/3.0=2...(5) HB3 ARG 23 - HD2 LYS 39 OK 16 99 - 16 - 1864/3.0=2, 1874/3.0=2...(5) HB2 ARG 23 - HD3 LYS 39 OK 16 99 - 16 - 1864/3.0=2, 1874/3.0=2...(5) HB2 ARG 23 - HD2 LYS 39 OK 16 99 - 16 - 1864/3.0=2, 1874/3.0=2...(5) HB2 LYS 39 - HD2 LYS 32 OK 15 63 - 23 - 1849=1, 2.9/1868=1, 2.9/1878=1 HB3 PRO 34 - HD2 LYS 32 OK 12 47 - 26 - 3.0/5209=1, ~4863=1...(8) HB3 ARG 71 - HD2 LYS 32 OK 11 63 - 17 - ~2921=1 HB2 ARG 71 - HD2 LYS 32 OK 11 63 - 17 - ~2921=1 HB2 LYS 75 - HD2 LYS 32 poor 8 56 - 14 - HB3 ARG 71 - HD2 LYS 73 poor 7 63 - 11 - HB3 ARG 71 - HD3 LYS 73 poor 7 63 - 11 - HB2 ARG 71 - HD3 LYS 73 poor 7 63 - 11 - HB2 ARG 71 - HD2 LYS 73 poor 7 63 - 11 - HB3 ARG 71 - HD2 LYS 39 lone 6 100 - 6 - HB2 ARG 71 - HD2 LYS 39 lone 6 100 - 6 - HB3 ARG 71 - HD3 LYS 39 lone 6 100 - 6 - HB2 ARG 71 - HD3 LYS 39 lone 6 100 - 6 - HB3 ARG 27 - HD3 LYS 39 lone 5 100 - 5 - HB3 ARG 27 - HD2 LYS 39 lone 5 100 - 5 - HB2 ARG 27 - HD3 LYS 39 lone 5 100 - 5 - HB2 ARG 27 - HD2 LYS 39 lone 5 100 - 5 - HB2 ARG 17 - HD3 LYS 39 lone 4 92 - 4 - HB2 ARG 17 - HD2 LYS 39 lone 4 92 - 4 - HB3 ARG 27 - HD2 LYS 32 lone 3 63 - 5 - HB2 ARG 27 - HD2 LYS 32 lone 3 63 - 5 - HB2 ARG 66 - HD3 LYS 39 lone 3 81 - 3 - HB2 ARG 17 - HD2 LYS 32 lone 3 52 - 5 - HB2 ARG 66 - HD2 LYS 39 lone 3 81 - 3 - HB2 ARG 17 - HD2 LYS 73 lone 3 52 - 5 - HB2 ARG 17 - HD3 LYS 73 lone 3 52 - 5 - HB2 ARG 66 - HD2 LYS 32 lone 3 44 - 6 - HB2 ARG 26 - HD2 LYS 32 lone 3 37 - 7 - HB3 ARG 26 - HD2 LYS 32 lone 2 36 - 7 - HB3 PRO 34 - HD3 LYS 73 lone 2 47 - 4 - HB3 PRO 34 - HD2 LYS 73 lone 2 47 - 4 - HB2 ARG 26 - HD3 LYS 39 lone 2 71 - 2 - HB2 ARG 26 - HD2 LYS 39 lone 2 71 - 2 - HB3 ARG 26 - HD3 LYS 39 lone 2 68 - 2 - HB3 ARG 26 - HD2 LYS 39 lone 2 68 - 2 - HB3 ARG 23 - HD3 LYS 73 lone 1 60 - 2 - HB3 ARG 23 - HD2 LYS 73 lone 1 60 - 2 - HB2 ARG 23 - HD3 LYS 73 lone 1 60 - 2 - HB2 ARG 23 - HD2 LYS 73 lone 1 60 - 2 - HB3 ARG 27 - HD3 LYS 73 lone 1 63 - 2 - HB3 ARG 27 - HD2 LYS 73 lone 1 63 - 2 - HB2 ARG 27 - HD3 LYS 73 lone 1 63 - 2 - HB2 ARG 27 - HD2 LYS 73 lone 1 63 - 2 - HB2 ARG 66 - HD3 LYS 73 lone 1 44 - 3 - HB2 ARG 66 - HD2 LYS 73 lone 1 44 - 3 - HB2 ARG 26 - HD3 LYS 73 lone 1 37 - 3 - HB2 ARG 26 - HD2 LYS 73 lone 1 37 - 3 - HB3 ARG 26 - HD3 LYS 73 lone 1 36 - 3 - HB3 ARG 26 - HD2 LYS 73 lone 1 36 - 3 - HB3 ARG 23 - HD2 LYS 32 lone 1 60 - 2 - HB2 ARG 23 - HD2 LYS 32 lone 1 60 - 2 - HB2 MET 11 - HD3 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HD2 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HD2 LYS 32 lone 0 29 - 1 - HB2 MET 11 - HD3 LYS 73 lone 0 29 - 1 - HB2 MET 11 - HD2 LYS 73 lone 0 29 - 1 - Peak 1895 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.41 A): 6 out of 80 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 96 100 - 96 - 3.5=90, 2.9/1869=10...(25) HB3 LYS 39 + HD2 LYS 39 OK 96 100 - 96 - 3.5=90, 2.9/1869=10...(25) HB3 LYS 32 + HD2 LYS 32 OK 57 59 - 97 - 3.5=94, ~1558=7, ~1595=4...(22) HB2 LYS 32 + HD2 LYS 32 OK 57 59 - 97 - 3.5=94, ~1558=7, ~1595=4...(22) HB3 LYS 73 + HD2 LYS 73 OK 57 62 - 92 - 3.5=89, 788/6.1=3...(13) HB3 LYS 73 + HD3 LYS 73 OK 57 62 - 92 - 3.5=89, 788/6.1=3...(13) HB3 LYS 75 - HD3 LYS 39 OK 44 100 - 45 - 1865/3.0=3, ~1864=3...(20) HB3 LYS 75 - HD2 LYS 39 OK 44 100 - 45 - 1865/3.0=3, ~1864=3...(20) HB2 ARG 54 - HD3 LYS 39 OK 33 89 - 37 - 2310/3.0=3, 1.8/1896=3...(17) HB2 ARG 54 - HD2 LYS 39 OK 32 89 - 37 - 2310/3.0=3, 1.8/1896=3...(17) HB3 LYS 32 - HD2 LYS 73 OK 24 59 - 41 - 2.9/1600=2, 2.9/1590=2...(20) HB3 LYS 32 - HD3 LYS 73 OK 24 59 - 41 - 2.9/1600=2, 2.9/1590=2...(20) HB2 LYS 32 - HD3 LYS 73 OK 24 59 - 41 - 2.9/1600=2, 2.9/1590=2...(20) HB2 LYS 32 - HD2 LYS 73 OK 24 59 - 41 - 2.9/1600=2, 2.9/1590=2...(20) HB3 LYS 75 - HD2 LYS 73 OK 20 62 - 33 - 2982/2.9=2, ~2972=1...(4) HB3 LYS 75 - HD3 LYS 73 OK 20 62 - 33 - 2982/2.9=2, ~2972=1...(4) HB3 LYS 73 - HD3 LYS 39 OK 20 100 - 20 - 1865/3.0=1, 1875/3.0=1 HB3 LYS 73 - HD2 LYS 39 OK 20 100 - 20 - 1865/3.0=1, 1875/3.0=1 HB2 LYS 32 - HD3 LYS 39 OK 19 98 - 19 - 1865/3.0=1, 1875/3.0=1 HB3 LYS 32 - HD3 LYS 39 OK 19 98 - 19 - 1865/3.0=1, 1875/3.0=1 HB3 LYS 73 - HD2 LYS 32 OK 18 62 - 30 - 1597/3.0=2, 1586/3.0=2...(10) HB3 LYS 39 - HD3 LYS 73 OK 18 63 - 28 - 2.9/1868=1, 3.0/1838=1...(5) HB3 LYS 39 - HD2 LYS 73 OK 18 63 - 28 - 2.9/1868=1, 3.0/1838=1...(5) HB2 PRO 34 - HD3 LYS 39 OK 17 100 - 18 - 1865/3.0=2, 3.0/5209=2...(8) HB2 PRO 34 - HD2 LYS 39 OK 17 100 - 18 - 1865/3.0=2, 3.0/5209=2...(8) HB2 LYS 32 - HD2 LYS 39 OK 17 98 - 17 - 1865/3.0=1, 1875/3.0=1 HB3 LYS 32 - HD2 LYS 39 OK 17 98 - 17 - 1865/3.0=1, 1875/3.0=1 HG2 PRO 34 - HD3 LYS 39 OK 15 76 - 19 - 2.3/5209=2, 4242/5942=2...(9) HG2 PRO 34 - HD2 LYS 39 OK 14 76 - 19 - 4242/5942=2, 2.3/5209=2...(9) HB2 LYS 13 - HD3 LYS 39 OK 14 99 - 14 - 1875/3.0=1, 1865/3.0=1, ~1013=1 HB2 LYS 13 - HD2 LYS 39 OK 14 99 - 14 - 1875/3.0=1, 1865/3.0=1, ~1013=1 HB2 PRO 34 - HD2 LYS 32 OK 13 62 - 21 - 1587/3.0=1, 1597/3.0=1...(5) HB2 ARG 54 - HD2 LYS 32 OK 12 50 - 24 - 1597/3.0=2, 1586/3.0=2...(7) HB3 LYS 39 - HD2 LYS 32 OK 11 63 - 18 - HG2 PRO 34 - HD2 LYS 32 poor 10 40 - 24 - 1597/3.0=1, 1586/3.0=1...(9) HB2 LYS 85 - HD2 LYS 73 poor 9 45 - 21 - ~3448=1, ~3447=1 HB2 LYS 85 - HD3 LYS 73 poor 9 45 - 21 - ~3448=1, ~3447=1 HB2 LYS 13 - HD3 LYS 73 poor 9 60 - 15 - ~1014=1 HB2 LYS 13 - HD2 LYS 73 poor 9 60 - 15 - ~1014=1 HB2 LEU 57 - HD3 LYS 39 lone 9 90 - 10 - 4982/3.0=1, 1.8/4983=1 HB2 LEU 57 - HD2 LYS 39 lone 9 90 - 10 - 4982/3.0=1, 4982/1.8=1 HB3 LYS 75 - HD2 LYS 32 poor 8 62 - 12 - HB ILE 33 - HD2 LYS 32 poor 7 54 - 13 - 4219/3.0=3, 1587/3.0=2...(4) HB2 LYS 85 - HD3 LYS 39 lone 7 83 - 8 - HB2 LYS 85 - HD2 LYS 39 lone 7 83 - 8 - HB3 ARG 84 - HD2 LYS 73 poor 6 45 - 14 - 1.8/3379=1 HB3 ARG 84 - HD3 LYS 73 poor 6 45 - 14 - 1.8/3379=1 HB2 LYS 83 - HD2 LYS 39 lone 6 100 - 6 - HB2 LYS 83 - HD3 LYS 39 lone 6 100 - 6 - HB2 ARG 69 - HD2 LYS 39 lone 6 83 - 7 - HB2 ARG 69 - HD3 LYS 39 lone 6 83 - 7 - HB3 ARG 82 - HD3 LYS 39 lone 6 89 - 7 - HB3 ARG 82 - HD2 LYS 39 lone 6 89 - 7 - HB2 LYS 83 - HD3 LYS 73 lone 6 63 - 9 - 4.0/5896=1 HB2 LYS 83 - HD2 LYS 73 lone 6 63 - 9 - 4.0/5896=1 HB ILE 33 - HD3 LYS 39 lone 5 93 - 6 - 4.8/5209=1 HB ILE 33 - HD2 LYS 39 lone 5 93 - 6 - 4.8/5209=1 HB2 ARG 69 - HD2 LYS 73 poor 5 45 - 12 - 2797/2.9=2 HB2 ARG 69 - HD3 LYS 73 poor 5 45 - 12 - 2797/2.9=2 HB3 ARG 84 - HD3 LYS 39 lone 5 83 - 6 - HB2 LEU 57 - HD2 LYS 73 lone 5 51 - 10 - 2438/2.9=1 HB2 LEU 57 - HD3 LYS 73 lone 5 51 - 10 - 2438/2.9=1 HB3 ARG 84 - HD2 LYS 39 lone 5 83 - 6 - HB2 LEU 57 - HD2 LYS 32 lone 4 51 - 9 - HB2 LYS 13 - HD2 LYS 32 lone 4 60 - 6 - HB3 ARG 84 - HD2 LYS 32 lone 4 45 - 8 - HB3 ARG 82 - HD2 LYS 73 lone 3 50 - 7 - 4.4/5896=1 HB3 ARG 82 - HD3 LYS 73 lone 3 50 - 7 - 4.4/5896=1 HB2 ARG 69 - HD2 LYS 32 lone 3 45 - 6 - 5047/5.1=1 HB2 PRO 34 - HD2 LYS 73 lone 2 62 - 4 - HB2 PRO 34 - HD3 LYS 73 lone 2 62 - 4 - HB2 ARG 54 - HD3 LYS 73 lone 2 50 - 5 - HB2 ARG 54 - HD2 LYS 73 lone 2 50 - 5 - HB3 ARG 82 - HD2 LYS 32 lone 2 50 - 4 - HB2 LYS 85 - HD2 LYS 32 lone 2 45 - 4 - HG2 PRO 34 - HD2 LYS 73 lone 2 40 - 5 - HG2 PRO 34 - HD3 LYS 73 lone 2 40 - 5 - HB2 LYS 83 - HD2 LYS 32 lone 2 63 - 3 - HB ILE 33 - HD2 LYS 73 lone 1 54 - 2 - HB ILE 33 - HD3 LYS 73 lone 1 54 - 2 - Peak 1896 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 2.51 A): 2 out of 40 assignments used, quality = 0.94: * HG2 LYS 39 + HD3 LYS 39 OK 76 100 - 77 - 3.0=61, 1869/1.8=9...(14) HG2 LYS 39 + HD2 LYS 39 OK 76 100 - 76 - 3.0=61, 1869/1.8=9...(14) HB3 ARG 54 - HD3 LYS 39 OK 20 100 - 21 - 1876/3.0=2, 1.8/2312=2...(5) HB3 ARG 54 - HD2 LYS 39 OK 20 100 - 20 - 1876/3.0=2, 1.8/2312=2...(5) HG LEU 64 - HD3 LYS 39 OK 16 99 - 16 - 1876/3.0=2, ~5206=2...(6) HG LEU 64 - HD2 LYS 39 OK 16 99 - 16 - 1876/3.0=2, ~5206=2...(6) HG2 LYS 39 - HD2 LYS 73 OK 11 63 - 17 - 1868=2, 1867/2.9=1...(4) HG2 LYS 39 - HD3 LYS 73 OK 11 63 - 17 - 1868=2, 1867/2.9=1...(4) HB3 LEU 86 - HD3 LYS 39 OK 10 92 - 11 - 1876/3.0=1 HB3 LEU 86 - HD2 LYS 39 OK 10 92 - 11 - 1876/3.0=1 HB3 ARG 54 - HD2 LYS 32 poor 9 63 - 15 - 2319/3.0=2, 2319/3.0=1...(4) HG3 ARG 54 - HD3 LYS 39 poor 9 63 - 14 - 1.8/2328=2, 1876/3.0=1 HG3 ARG 54 - HD2 LYS 39 poor 8 63 - 14 - 1.8/2328=1, 1876/3.0=1 HG2 LYS 39 - HD2 LYS 32 poor 7 63 - 12 - 1868=1 HG LEU 62 - HD3 LYS 39 lone 6 87 - 7 - HG LEU 62 - HD2 LYS 39 lone 6 87 - 7 - HG3 ARG 23 - HD3 LYS 39 lone 6 99 - 6 - HG3 ARG 23 - HD2 LYS 39 lone 6 99 - 6 - HG3 ARG 54 - HD2 LYS 32 poor 4 32 - 13 - HG2 ARG 82 - HD3 LYS 39 lone 2 83 - 3 - HG2 ARG 82 - HD2 LYS 39 lone 2 83 - 3 - HB3 LEU 86 - HD2 LYS 73 lone 2 52 - 3 - HB3 LEU 86 - HD3 LYS 73 lone 2 52 - 3 - HG LEU 62 - HD3 LYS 73 lone 2 48 - 3 - HG LEU 62 - HD2 LYS 73 lone 2 48 - 3 - HB3 ARG 54 - HD2 LYS 73 lone 1 63 - 2 - HB3 ARG 54 - HD3 LYS 73 lone 1 63 - 2 - HG LEU 62 - HD2 LYS 32 lone 1 48 - 3 - HB3 LEU 86 - HD2 LYS 32 lone 1 52 - 2 - HG LEU 64 - HD2 LYS 32 lone 1 60 - 2 - HG2 ARG 82 - HD2 LYS 73 lone 1 45 - 2 - HG2 ARG 82 - HD3 LYS 73 lone 1 45 - 2 - HG2 ARG 82 - HD2 LYS 32 lone 1 45 - 2 - HG3 ARG 23 - HD2 LYS 73 lone 1 60 - 1 - HG3 ARG 23 - HD3 LYS 73 lone 1 60 - 1 - HG LEU 64 - HD2 LYS 73 lone 1 60 - 1 - HG LEU 64 - HD3 LYS 73 lone 1 60 - 1 - HG3 ARG 23 - HD2 LYS 32 lone 0 60 - 1 - HG3 ARG 54 - HD2 LYS 73 lone 0 32 - 1 - HG3 ARG 54 - HD3 LYS 73 lone 0 32 - 1 - Peak 1897 from cnoeabs.peaks (1.40, 1.58, 28.78 ppm; 3.38 A): 6 out of 60 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HG3 LYS 73 + HD2 LYS 73 OK 50 50 - 100 - 2.9=100 HG3 LYS 73 + HD3 LYS 73 OK 50 50 - 100 - 2.9=100 HG2 LYS 75 + HD3 LYS 39 OK 45 92 - 50 - 1867/3.0=5, ~1867=3...(17) HG3 LYS 75 + HD3 LYS 39 OK 45 92 - 50 - 1867/3.0=5, ~1867=3...(17) HG2 LYS 75 - HD2 LYS 39 OK 45 92 - 49 - 1867/3.0=5, ~1867=3...(17) HG3 LYS 75 - HD2 LYS 39 OK 45 92 - 49 - 1867/3.0=5, ~1867=3...(17) HG2 LYS 75 - HD3 LYS 73 OK 22 52 - 43 - 2993/2.9=2, 3108/3.5=1 HG2 LYS 75 - HD2 LYS 73 OK 22 52 - 43 - 2993/2.9=2, 3108/3.5=1 HG3 LYS 75 - HD3 LYS 73 OK 22 52 - 43 - 2993/2.9=2, 3108/3.5=1 HG3 LYS 75 - HD2 LYS 73 OK 22 52 - 43 - 2993/2.9=2, 3108/3.5=1 HG3 LYS 73 - HD3 LYS 39 OK 20 89 - 22 - 1867/3.0=2 HG3 LYS 73 - HD2 LYS 39 OK 20 89 - 22 - 1867/3.0=2 HG3 LYS 39 - HD3 LYS 73 OK 19 63 - 31 - 1878=2, 1.8/1868=2...(8) HG3 LYS 39 - HD2 LYS 73 OK 19 63 - 31 - 1878=2, 1.8/1868=2...(8) HG3 LYS 73 - HD2 LYS 32 OK 17 50 - 36 - 1.8/2995=2, ~2995=2...(8) HG2 LYS 13 - HD3 LYS 39 OK 16 85 - 18 - 1867/3.0=2, 1021/3.5=2 HG2 LYS 13 - HD2 LYS 39 OK 16 85 - 18 - 1867/3.0=2, 1021/3.5=2 HG3 LYS 39 - HD2 LYS 32 OK 14 63 - 23 - 1878=1, 1.8/1868=1...(5) QB ALA 53 - HD3 LYS 39 OK 10 96 - 11 - 3.6/679=2, 1867/3.0=1...(4) QB ALA 53 - HD2 LYS 39 OK 10 96 - 11 - 3.6/679=2, 1867/3.0=1...(4) HB3 ARG 69 - HD3 LYS 73 OK 10 58 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HB3 ARG 69 - HD2 LYS 73 OK 10 58 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HB3 ARG 69 - HD3 LYS 39 lone 10 97 - 10 - 1867/3.0=1, 2802/3.5=1 HB3 ARG 69 - HD2 LYS 39 lone 10 97 - 10 - 1867/3.0=1, 2802/3.5=1 HG3 LYS 75 - HD2 LYS 32 poor 10 52 - 18 - HG2 LYS 75 - HD2 LYS 32 poor 10 52 - 18 - HG2 LYS 13 - HD2 LYS 73 poor 9 47 - 20 - 1021/3.5=2, 1024/2.9=1 HG2 LYS 13 - HD3 LYS 73 poor 9 47 - 20 - 1021/3.5=2, 1024/2.9=1 HG2 LYS 85 - HD3 LYS 73 poor 8 34 - 24 - 3002/2.9=1 HG2 LYS 85 - HD2 LYS 73 poor 8 34 - 24 - 3002/2.9=1 QB ALA 53 - HD3 LYS 73 lone 5 56 - 9 - ~203=1, 2.9/4964=1 QB ALA 53 - HD2 LYS 73 lone 5 56 - 9 - ~203=1, 2.9/4964=1 HG2 LYS 85 - HD3 LYS 39 lone 5 65 - 7 - HG2 LYS 85 - HD2 LYS 39 lone 5 65 - 7 - HB3 ARG 69 - HD2 LYS 32 lone 5 58 - 8 - 4766/5.1=1 HG3 ARG 69 - HD3 LYS 39 lone 4 63 - 7 - HG3 ARG 69 - HD2 LYS 39 lone 4 63 - 7 - HG3 ARG 69 - HD2 LYS 73 poor 4 32 - 13 - 2818/3.5=1, 2818/3.5=1 HG3 ARG 69 - HD3 LYS 73 poor 4 32 - 13 - 2818/3.5=1, 2818/3.5=1 HG2 LYS 13 - HD2 LYS 32 lone 4 47 - 8 - QB ALA 53 - HD2 LYS 32 lone 3 56 - 5 - QB ALA 78 - HD2 LYS 73 lone 2 50 - 4 - QB ALA 78 - HD3 LYS 73 lone 2 50 - 4 - HG2 LYS 85 - HD2 LYS 32 lone 2 34 - 5 - HG3 ARG 69 - HD2 LYS 32 lone 2 32 - 5 - QB ALA 78 - HD3 LYS 39 lone 2 89 - 2 - QB ALA 78 - HD2 LYS 39 lone 2 89 - 2 - QB ALA 20 - HD3 LYS 39 lone 1 65 - 2 - QB ALA 20 - HD2 LYS 39 lone 1 65 - 2 - QB ALA 77 - HD2 LYS 39 lone 1 60 - 2 - QB ALA 77 - HD3 LYS 39 lone 1 60 - 2 - QB ALA 77 - HD2 LYS 73 lone 1 31 - 3 - QB ALA 77 - HD3 LYS 73 lone 1 31 - 3 - QB ALA 78 - HD2 LYS 32 lone 0 50 - 1 - QB ALA 20 - HD2 LYS 73 lone 0 34 - 1 - QB ALA 20 - HD3 LYS 73 lone 0 34 - 1 - QB ALA 20 - HD2 LYS 32 lone 0 34 - 1 - QB ALA 77 - HD2 LYS 32 lone 0 31 - 1 - Peak 1898 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 73 - HD3 LYS 73 OK 34 34 - 100 HD2 LYS 73 - HD2 LYS 73 OK 34 34 - 100 HD2 LYS 32 - HD2 LYS 32 OK 34 34 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 1899 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 73 - HD3 LYS 73 OK 32 32 - 100 HD2 LYS 73 - HD2 LYS 73 OK 32 32 - 100 HD2 LYS 32 - HD2 LYS 32 OK 32 32 - 100 Peak 1900 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.51 A): 4 out of 55 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 - HD2 LYS 32 OK 40 40 - 100 - 3.0=100 HE2 LYS 32 - HD2 LYS 32 OK 39 39 - 100 - 3.0=100 HE2 LYS 73 - HD2 LYS 73 OK 39 39 - 100 - 3.0=100 HE2 LYS 73 - HD3 LYS 73 OK 39 39 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 73 OK 37 37 - 100 - 3.0=100 HE3 LYS 73 - HD2 LYS 73 OK 37 37 - 100 - 3.0=100 HE2 LYS 75 - HD3 LYS 39 OK 30 90 - 33 - 1870/3.0=2, 1880/3.0=2...(14) HE2 LYS 75 - HD2 LYS 39 OK 29 90 - 33 - 1870/3.0=2, 1880/3.0=2...(14) HE3 LYS 75 - HD3 LYS 39 OK 29 89 - 33 - 1870/3.0=2, 1880/3.0=2...(12) HE3 LYS 75 - HD2 LYS 39 OK 29 89 - 33 - 1870/3.0=2, 1880/3.0=2...(12) HE2 LYS 13 - HD3 LYS 39 OK 19 97 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE3 LYS 13 - HD3 LYS 39 OK 18 97 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE2 LYS 13 - HD2 LYS 39 OK 18 97 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE3 LYS 13 - HD2 LYS 39 OK 18 97 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE2 LYS 75 - HD3 LYS 73 OK 14 51 - 28 - ~6146=1 HE2 LYS 75 - HD2 LYS 73 OK 14 51 - 28 - ~6146=1 HE3 LYS 75 - HD3 LYS 73 OK 14 50 - 28 - ~6146=1 HE3 LYS 75 - HD2 LYS 73 OK 14 50 - 28 - ~6146=1 HE2 LYS 73 - HD2 LYS 32 OK 12 39 - 32 - 1638/3.0=2, ~1602=2...(15) HE3 LYS 73 - HD2 LYS 32 OK 12 37 - 32 - 1638/3.0=2, ~1602=2...(15) HE2 LYS 73 - HD3 LYS 39 OK 12 73 - 16 - 1870/3.0=1, 1880/3.0=1 HE2 LYS 73 - HD2 LYS 39 OK 11 73 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 73 - HD3 LYS 39 OK 11 71 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 73 - HD2 LYS 39 OK 11 71 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 32 - HD3 LYS 39 OK 10 76 - 14 - 1870/3.0=1 HE3 LYS 32 - HD2 LYS 39 OK 10 76 - 13 - 1870/3.0=1 HE2 LYS 32 - HD3 LYS 39 OK 10 73 - 14 - HE2 LYS 32 - HD2 LYS 39 poor 10 73 - 13 - HE2 LYS 13 - HD3 LYS 73 poor 10 58 - 17 - HE2 LYS 13 - HD2 LYS 73 poor 10 58 - 17 - HE3 LYS 13 - HD2 LYS 73 poor 9 57 - 17 - HE3 LYS 13 - HD3 LYS 73 poor 9 57 - 17 - HE3 LYS 39 - HD2 LYS 32 poor 8 63 - 13 - HE2 LYS 39 - HD2 LYS 32 poor 8 63 - 13 - HE3 LYS 32 - HD2 LYS 73 poor 8 40 - 21 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 32 - HD3 LYS 73 poor 8 40 - 21 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 39 - HD2 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE3 LYS 39 - HD3 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE2 LYS 39 - HD3 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE2 LYS 39 - HD2 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE2 LYS 32 - HD2 LYS 73 poor 8 39 - 21 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 32 - HD3 LYS 73 poor 8 39 - 21 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 75 - HD2 LYS 32 poor 7 51 - 14 - HE3 LYS 75 - HD2 LYS 32 poor 7 50 - 14 - HB3 TYR 81 - HD3 LYS 39 lone 6 100 - 6 - ~4684=2 HB3 TYR 81 - HD2 LYS 39 lone 6 100 - 6 - ~4684=2 HE2 LYS 13 - HD2 LYS 32 lone 5 58 - 8 - HE3 LYS 13 - HD2 LYS 32 lone 5 57 - 8 - HB3 TYR 81 - HD2 LYS 73 lone 2 63 - 4 - HB3 TYR 81 - HD3 LYS 73 lone 2 63 - 4 - HB3 TYR 81 - HD2 LYS 32 lone 1 63 - 2 - Peak 1901 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.51 A): 4 out of 55 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 - HD2 LYS 32 OK 37 37 - 100 - 3.0=100 HE2 LYS 32 - HD2 LYS 32 OK 36 36 - 100 - 3.0=100 HE2 LYS 73 - HD2 LYS 73 OK 36 36 - 100 - 3.0=100 HE2 LYS 73 - HD3 LYS 73 OK 36 36 - 100 - 3.0=100 HE3 LYS 73 - HD2 LYS 73 OK 34 34 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 73 OK 34 34 - 100 - 3.0=100 HE2 LYS 75 - HD3 LYS 39 OK 29 87 - 33 - 1870/3.0=2, 1880/3.0=2...(13) HE2 LYS 75 - HD2 LYS 39 OK 28 87 - 33 - 1870/3.0=2, 1880/3.0=2...(13) HE3 LYS 75 - HD3 LYS 39 OK 28 85 - 33 - 1870/3.0=2, 1880/3.0=2...(12) HE3 LYS 75 - HD2 LYS 39 OK 28 85 - 33 - 1870/3.0=2, 1880/3.0=2...(12) HE2 LYS 13 - HD3 LYS 39 OK 18 96 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE2 LYS 13 - HD2 LYS 39 OK 18 96 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE3 LYS 13 - HD3 LYS 39 OK 18 95 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE3 LYS 13 - HD2 LYS 39 OK 18 94 - 19 - 1881/3.0=2, 1871/3.0=2...(6) HE2 LYS 75 - HD2 LYS 73 OK 13 48 - 28 - ~6146=1 HE2 LYS 75 - HD3 LYS 73 OK 13 48 - 28 - ~6146=1 HE3 LYS 75 - HD2 LYS 73 OK 13 47 - 28 - ~6146=1 HE3 LYS 75 - HD3 LYS 73 OK 13 47 - 28 - ~6146=1 HE2 LYS 73 - HD2 LYS 32 OK 11 36 - 32 - 1638/3.0=2, ~1602=2...(15) HE2 LYS 73 - HD3 LYS 39 OK 11 68 - 16 - 1870/3.0=1, 1880/3.0=1 HE2 LYS 73 - HD2 LYS 39 OK 11 68 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 73 - HD2 LYS 32 OK 11 34 - 32 - 1638/3.0=2, ~1602=2...(15) HE3 LYS 73 - HD3 LYS 39 OK 10 65 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 73 - HD2 LYS 39 OK 10 65 - 16 - 1870/3.0=1, 1880/3.0=1 HE3 LYS 32 - HD3 LYS 39 poor 10 71 - 14 - 1870/3.0=1 HE3 LYS 32 - HD2 LYS 39 poor 10 71 - 13 - 1870/3.0=1 HE2 LYS 32 - HD3 LYS 39 poor 9 68 - 14 - HE2 LYS 32 - HD2 LYS 39 poor 9 68 - 13 - HE2 LYS 13 - HD3 LYS 73 poor 9 56 - 16 - HE2 LYS 13 - HD2 LYS 73 poor 9 56 - 16 - HE3 LYS 13 - HD3 LYS 73 poor 9 55 - 16 - HE3 LYS 13 - HD2 LYS 73 poor 9 55 - 16 - HE3 LYS 39 - HD2 LYS 32 poor 8 63 - 13 - HE2 LYS 39 - HD2 LYS 32 poor 8 63 - 13 - HE3 LYS 39 - HD3 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE3 LYS 39 - HD2 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE2 LYS 39 - HD2 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE2 LYS 39 - HD3 LYS 73 poor 8 63 - 13 - 3.6/1868=1, 3.6/1878=1 HE3 LYS 32 - HD3 LYS 73 poor 7 37 - 20 - 3.9/1590=1, 3.9/1600=1 HE3 LYS 32 - HD2 LYS 73 poor 7 37 - 20 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 32 - HD3 LYS 73 poor 7 36 - 21 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 32 - HD2 LYS 73 poor 7 36 - 21 - 3.9/1590=1, 3.9/1600=1 HE2 LYS 75 - HD2 LYS 32 poor 7 48 - 14 - HE3 LYS 75 - HD2 LYS 32 poor 7 47 - 14 - HB3 TYR 81 - HD3 LYS 39 lone 6 100 - 6 - ~4684=2 HB3 TYR 81 - HD2 LYS 39 lone 6 100 - 6 - ~4684=2 HE2 LYS 13 - HD2 LYS 32 lone 5 56 - 8 - HE3 LYS 13 - HD2 LYS 32 lone 4 55 - 8 - HB3 TYR 81 - HD3 LYS 73 lone 2 63 - 4 - HB3 TYR 81 - HD2 LYS 73 lone 2 63 - 4 - HB3 TYR 81 - HD2 LYS 32 lone 1 63 - 2 - Peak 1904 from cnoeabs.peaks (1.85, 2.98, 41.78 ppm; 4.16 A): 6 out of 140 assignments used, quality = 1.00: HB2 LYS 39 + HE3 LYS 39 OK 90 100 - 90 - 4.7=70, 1884/3.0=5...(37) * HB2 LYS 39 + HE2 LYS 39 OK 90 100 - 90 - 4.7=70, 1884/3.0=5...(33) HB2 LYS 75 + HE2 LYS 75 OK 68 83 - 82 - 5.0=59, 3128/2.9=5...(38) HB2 LYS 75 + HE3 LYS 75 OK 66 81 - 82 - 5.0=59, 3128/2.9=5...(38) HB2 LYS 39 + HE2 LYS 75 OK 53 90 - 59 - 2.9/1870=4, 2.9/1880=3...(30) HB2 LYS 39 + HE3 LYS 75 OK 52 89 - 60 - 2.9/1870=3, 2.9/1880=3...(30) HB2 LYS 75 - HE3 LYS 39 OK 42 95 - 44 - 1864/3.6=6, 1874/3.6=5...(13) HB2 LYS 75 - HE2 LYS 39 OK 42 96 - 44 - 1864/3.6=6, 1874/3.6=5...(13) HB2 LYS 75 - HE2 LYS 13 OK 37 87 - 42 - 3128/2.9=2, 3128/2.9=2...(15) HB2 LYS 75 - HE3 LYS 13 OK 36 86 - 42 - 3128/2.9=2, 3128/2.9=2...(15) HB2 LYS 39 - HE2 LYS 13 OK 34 95 - 36 - 2.9/1871=2, 2.9/1881=2...(13) HB2 LYS 39 - HE3 LYS 13 OK 34 94 - 36 - 2.9/1871=2, 2.9/1881=2...(13) HB2 LYS 39 - HE2 LYS 73 OK 23 73 - 32 - 2.9/1870=2, 2.9/1880=2...(9) HB2 LYS 39 - HE3 LYS 73 OK 22 71 - 32 - 2.9/1870=2, 2.9/1880=2...(10) HB2 LYS 39 - HE3 LYS 32 OK 20 76 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 75 - HE2 LYS 73 OK 20 66 - 31 - 3.0/3075=1, 2972/3.7=1...(7) HB2 LYS 39 - HE2 LYS 32 OK 20 73 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 75 - HE3 LYS 73 OK 19 63 - 31 - 2972/3.7=1, 3.0/3075=1...(7) HB3 PRO 34 - HE2 LYS 39 OK 14 85 - 17 - 1864/3.6=3, 1874/3.6=3...(4) HB3 PRO 34 - HE3 LYS 39 OK 14 85 - 17 - 1864/3.6=3, 1874/3.6=3...(4) HB3 ARG 23 - HE3 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE2 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE2 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE3 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 LYS 75 - HE3 LYS 32 OK 11 68 - 16 - HB2 LYS 75 - HE2 LYS 32 OK 11 66 - 16 - HB3 PRO 34 - HE3 LYS 32 poor 10 58 - 17 - ~4863=2, ~5567=2...(5) HB3 PRO 34 - HE2 LYS 32 poor 9 56 - 17 - ~4863=2, ~5567=2...(4) HB3 ARG 71 - HE3 LYS 32 poor 9 76 - 12 - HB2 ARG 71 - HE3 LYS 32 poor 9 76 - 12 - HB3 ARG 71 - HE2 LYS 32 poor 9 73 - 12 - HB2 ARG 71 - HE2 LYS 32 poor 9 73 - 12 - HB3 ARG 23 - HE2 LYS 75 lone 7 88 - 7 - HB3 ARG 71 - HE2 LYS 73 lone 7 73 - 9 - HB2 ARG 71 - HE2 LYS 73 lone 7 73 - 9 - HB2 ARG 23 - HE2 LYS 75 lone 7 87 - 7 - HB3 ARG 23 - HE3 LYS 75 lone 6 86 - 7 - HB2 ARG 23 - HE3 LYS 75 lone 6 85 - 7 - HB3 ARG 71 - HE3 LYS 73 lone 6 71 - 9 - HB2 ARG 71 - HE3 LYS 73 lone 6 71 - 9 - HB3 ARG 71 - HE3 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE3 LYS 39 lone 5 100 - 5 - HB3 ARG 71 - HE2 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE2 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE2 LYS 75 lone 5 90 - 6 - HB3 ARG 71 - HE2 LYS 75 lone 5 90 - 6 - HB2 ARG 71 - HE3 LYS 75 lone 5 88 - 6 - HB3 ARG 71 - HE3 LYS 75 lone 5 89 - 6 - HB3 ARG 27 - HE3 LYS 39 lone 4 100 - 4 - HB3 ARG 27 - HE2 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HE3 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HE2 LYS 39 lone 4 100 - 4 - HB2 ARG 17 - HE2 LYS 39 lone 3 92 - 4 - HB2 ARG 17 - HE3 LYS 39 lone 3 92 - 4 - HB3 ARG 23 - HE2 LYS 13 lone 3 92 - 4 - HB2 ARG 23 - HE2 LYS 13 lone 3 92 - 4 - HB3 ARG 23 - HE3 LYS 13 lone 3 91 - 4 - HB2 ARG 23 - HE3 LYS 13 lone 3 90 - 4 - HB3 PRO 34 - HE2 LYS 73 lone 3 56 - 6 - HB3 PRO 34 - HE3 LYS 73 lone 3 53 - 6 - HB3 PRO 34 - HE2 LYS 75 lone 3 71 - 4 - HB2 ARG 27 - HE2 LYS 75 lone 3 90 - 3 - HB3 ARG 27 - HE2 LYS 75 lone 3 90 - 3 - HB3 PRO 34 - HE3 LYS 75 lone 3 70 - 4 - HB2 ARG 27 - HE3 LYS 75 lone 3 88 - 3 - HB3 ARG 27 - HE3 LYS 75 lone 3 89 - 3 - HB2 ARG 66 - HE2 LYS 39 lone 3 81 - 3 - HB2 ARG 66 - HE3 LYS 39 lone 3 80 - 3 - HB2 ARG 17 - HE2 LYS 73 lone 2 62 - 4 - HB3 ARG 27 - HE3 LYS 32 lone 2 76 - 3 - HB2 ARG 27 - HE3 LYS 32 lone 2 76 - 3 - HB2 ARG 17 - HE3 LYS 73 lone 2 60 - 4 - HB3 ARG 27 - HE2 LYS 32 lone 2 73 - 3 - HB2 ARG 27 - HE2 LYS 32 lone 2 73 - 3 - HB2 ARG 26 - HE3 LYS 32 lone 2 46 - 5 - HB2 ARG 66 - HE3 LYS 32 lone 2 54 - 4 - HB2 ARG 17 - HE3 LYS 32 lone 2 64 - 3 - HB3 PRO 34 - HE2 LYS 13 lone 2 76 - 3 - HB2 ARG 26 - HE2 LYS 32 lone 2 45 - 5 - HB2 ARG 66 - HE2 LYS 32 lone 2 52 - 4 - HB3 ARG 26 - HE3 LYS 32 lone 2 44 - 5 - HB3 PRO 34 - HE3 LYS 13 lone 2 75 - 3 - HB2 ARG 17 - HE2 LYS 32 lone 2 62 - 3 - HB3 ARG 26 - HE2 LYS 32 lone 2 43 - 5 - HB3 ARG 23 - HE2 LYS 73 lone 2 71 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 2 70 - 2 - HB3 ARG 27 - HE2 LYS 13 lone 2 95 - 2 - HB2 ARG 27 - HE2 LYS 13 lone 2 94 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 2 68 - 2 - HB3 ARG 27 - HE3 LYS 13 lone 2 94 - 2 - HB2 ARG 27 - HE3 LYS 13 lone 2 93 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 2 68 - 2 - HB3 ARG 71 - HE2 LYS 13 lone 2 95 - 2 - HB2 ARG 71 - HE2 LYS 13 lone 2 94 - 2 - HB3 ARG 71 - HE3 LYS 13 lone 2 94 - 2 - HB2 ARG 71 - HE3 LYS 13 lone 2 93 - 2 - HB2 ARG 26 - HE2 LYS 39 lone 2 71 - 2 - HB2 ARG 26 - HE3 LYS 39 lone 2 71 - 2 - HB3 ARG 27 - HE2 LYS 73 lone 1 73 - 2 - HB2 ARG 27 - HE2 LYS 73 lone 1 73 - 2 - HB3 ARG 26 - HE2 LYS 39 lone 1 68 - 2 - HB3 ARG 26 - HE3 LYS 39 lone 1 68 - 2 - HB3 ARG 27 - HE3 LYS 73 lone 1 71 - 2 - HB2 ARG 27 - HE3 LYS 73 lone 1 71 - 2 - HB2 ARG 17 - HE2 LYS 75 lone 1 78 - 2 - HB3 ARG 23 - HE3 LYS 32 lone 1 73 - 2 - HB2 ARG 17 - HE3 LYS 75 lone 1 77 - 2 - HB2 ARG 66 - HE2 LYS 75 lone 1 67 - 2 - HB2 ARG 23 - HE3 LYS 32 lone 1 72 - 2 - HB3 ARG 23 - HE2 LYS 32 lone 1 71 - 2 - HB2 ARG 66 - HE3 LYS 75 lone 1 65 - 2 - HB2 ARG 23 - HE2 LYS 32 lone 1 70 - 2 - HB2 ARG 26 - HE2 LYS 73 lone 1 45 - 3 - HB2 ARG 26 - HE3 LYS 73 lone 1 43 - 3 - HB3 ARG 26 - HE2 LYS 73 lone 1 43 - 3 - HB3 ARG 26 - HE3 LYS 73 lone 1 41 - 3 - HB2 ARG 66 - HE2 LYS 73 lone 1 52 - 2 - HB2 ARG 66 - HE3 LYS 73 lone 1 50 - 2 - HB2 ARG 66 - HE2 LYS 13 lone 1 72 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 83 - 1 - HB2 ARG 66 - HE3 LYS 13 lone 1 71 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 82 - 1 - HB2 MET 11 - HE2 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HE3 LYS 39 lone 1 57 - 1 - HB2 ARG 26 - HE2 LYS 13 lone 1 62 - 1 - HB2 ARG 26 - HE3 LYS 13 lone 1 61 - 1 - HB3 ARG 26 - HE2 LYS 13 lone 1 60 - 1 - HB2 ARG 26 - HE2 LYS 75 lone 1 58 - 1 - HB3 ARG 26 - HE3 LYS 13 lone 1 59 - 1 - HB2 ARG 26 - HE3 LYS 75 lone 1 57 - 1 - HB3 ARG 26 - HE2 LYS 75 lone 1 56 - 1 - HB3 ARG 26 - HE3 LYS 75 lone 1 54 - 1 - HB2 MET 11 - HE2 LYS 13 lone 0 50 - 1 - HB2 MET 11 - HE3 LYS 13 lone 0 49 - 1 - HB2 MET 11 - HE2 LYS 75 lone 0 46 - 1 - HB2 MET 11 - HE3 LYS 75 lone 0 45 - 1 - HB2 MET 11 - HE3 LYS 32 lone 0 37 - 1 - HB2 MET 11 - HE2 LYS 32 lone 0 35 - 1 - HB2 MET 11 - HE2 LYS 73 lone 0 35 - 1 - HB2 MET 11 - HE3 LYS 73 lone 0 34 - 1 - Peak 1905 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 3.74 A): 12 out of 160 assignments used, quality = 1.00: HB3 LYS 39 + HE3 LYS 39 OK 76 100 - 76 - 4.7=51, 2.9/1916=4...(27) * HB3 LYS 39 + HE2 LYS 39 OK 76 100 - 76 - 4.7=51, 2.9/1916=4...(27) HB3 LYS 75 + HE2 LYS 75 OK 61 89 - 69 - 5.0=43, 3093/2.9=3...(30) HB2 LYS 13 + HE2 LYS 13 OK 60 92 - 66 - 5.2=37, 1005/2.9=3...(29) HB3 LYS 75 + HE3 LYS 75 OK 60 87 - 69 - 5.0=43, 3093/2.9=3...(33) HB2 LYS 13 + HE3 LYS 13 OK 60 91 - 65 - 5.2=37, 1005/2.9=3...(29) HB2 LYS 32 + HE3 LYS 32 OK 56 72 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 32 + HE3 LYS 32 OK 56 72 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB2 LYS 32 + HE2 LYS 32 OK 54 69 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 32 + HE2 LYS 32 OK 54 69 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 73 + HE2 LYS 73 OK 48 72 - 67 - 4.7=51, ~3020=3, ~3010=3...(16) HB3 LYS 73 + HE3 LYS 73 OK 46 70 - 67 - 4.7=51, ~3020=3, ~3010=3...(16) HB3 LYS 39 - HE2 LYS 75 OK 43 90 - 48 - 2.9/1870=3, 2.9/1880=3...(29) HB3 LYS 39 - HE3 LYS 75 OK 43 89 - 48 - 2.9/1870=3, 2.9/1880=3...(29) HB3 LYS 75 - HE2 LYS 13 OK 35 93 - 37 - 1021/3.8=3, ~3073=2...(13) HB3 LYS 75 - HE3 LYS 39 OK 35 100 - 35 - 1865/3.6=3, 1875/3.6=3...(14) HB3 LYS 75 - HE2 LYS 39 OK 34 100 - 35 - 1865/3.6=3, 1875/3.6=3...(14) HB3 LYS 75 - HE3 LYS 13 OK 34 92 - 37 - 1021/3.8=3, ~3073=2...(13) HB3 LYS 73 - HE2 LYS 75 OK 34 89 - 38 - 2.9/6146=1, ~6146=1...(8) HB3 LYS 73 - HE3 LYS 75 OK 33 87 - 38 - 2.9/6146=1, ~6146=1...(8) HB2 LYS 13 - HE2 LYS 75 OK 33 88 - 38 - 3.0/1027=3, ~1028=2...(7) HB2 LYS 13 - HE3 LYS 75 OK 33 86 - 38 - 3.0/1027=3, ~1028=2...(7) HB3 LYS 39 - HE2 LYS 13 OK 29 95 - 31 - 1021/3.8=2, 2.9/1881=2...(9) HB3 LYS 32 - HE2 LYS 73 OK 29 69 - 43 - 2.9/1603=2, 2.9/1593=2...(20) HB2 LYS 32 - HE2 LYS 73 OK 29 69 - 43 - 2.9/1603=2, 2.9/1593=2...(20) HB3 LYS 39 - HE3 LYS 13 OK 29 94 - 31 - 1021/3.8=2, 2.9/1881=2...(9) HB3 LYS 32 - HE3 LYS 73 OK 28 67 - 43 - 2.9/1603=2, 2.9/1593=2...(20) HB2 LYS 32 - HE3 LYS 73 OK 28 67 - 43 - 2.9/1603=2, 2.9/1593=2...(20) HB3 LYS 73 - HE2 LYS 13 OK 24 93 - 26 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE3 LYS 13 OK 24 92 - 26 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE3 LYS 32 OK 21 75 - 29 - 1597/3.9=1, 1587/3.9=1...(5) HB3 LYS 73 - HE2 LYS 32 OK 21 72 - 29 - 1597/3.9=1, 1587/3.9=1...(5) HB3 LYS 75 - HE2 LYS 73 OK 20 72 - 28 - 2982/3.7=2, 3.0/3075=1 HB3 LYS 39 - HE2 LYS 73 OK 19 73 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 ARG 54 - HE3 LYS 39 OK 19 88 - 22 - 2310/3.6=3, 1875/3.6=2...(7) HB2 ARG 54 - HE2 LYS 39 OK 19 89 - 22 - 2310/3.6=3, 1875/3.6=2...(7) HB3 LYS 75 - HE3 LYS 73 OK 19 70 - 28 - 2982/3.7=2, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 73 OK 19 71 - 26 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 73 - HE2 LYS 39 OK 18 100 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE3 LYS 39 OK 18 100 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 39 - HE3 LYS 32 OK 16 76 - 21 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE2 LYS 32 OK 16 73 - 21 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 85 - HE2 LYS 75 OK 15 69 - 22 - ~3447=1 HB2 LYS 85 - HE3 LYS 75 OK 15 68 - 22 - ~3447=1 HB2 LYS 13 - HE3 LYS 39 OK 15 99 - 15 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 13 - HE2 LYS 39 OK 14 99 - 15 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 32 - HE2 LYS 75 OK 14 86 - 16 - HB3 LYS 32 - HE2 LYS 75 OK 14 86 - 16 - HB2 LYS 32 - HE3 LYS 75 OK 14 84 - 16 - HB3 LYS 32 - HE3 LYS 75 OK 14 84 - 16 - HB2 LYS 85 - HE2 LYS 13 OK 13 74 - 18 - 1021/3.8=2, 1011/5.2=1 HB2 LYS 85 - HE3 LYS 13 OK 13 73 - 18 - 1021/3.8=2, 1011/5.2=1 HB2 PRO 34 - HE2 LYS 39 OK 12 100 - 12 - 1865/3.6=2, 1875/3.6=2...(5) HB2 PRO 34 - HE3 LYS 39 OK 12 100 - 12 - 1865/3.6=2, 1875/3.6=2...(5) HB2 PRO 34 - HE3 LYS 32 OK 11 75 - 15 - ~4863=2, ~5567=2...(4) HB3 LYS 75 - HE3 LYS 32 OK 11 75 - 15 - HB3 LYS 75 - HE2 LYS 32 OK 11 72 - 15 - HB2 PRO 34 - HE2 LYS 32 OK 11 73 - 15 - ~4863=2, ~5567=2...(4) HB3 LYS 32 - HE2 LYS 13 OK 10 91 - 11 - HB2 LYS 32 - HE2 LYS 13 OK 10 91 - 11 - HB2 ARG 69 - HE2 LYS 75 poor 10 69 - 14 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 32 - HE3 LYS 13 poor 10 90 - 11 - HB3 LYS 32 - HE3 LYS 13 poor 10 90 - 11 - HB2 LYS 13 - HE2 LYS 73 poor 10 71 - 14 - 3.0/1028=1 HB2 ARG 69 - HE3 LYS 75 poor 10 68 - 14 - 2795/3.5=2, 2795/3.5=2 HG2 PRO 34 - HE2 LYS 39 poor 9 76 - 13 - ~5209=1, 2.3/6089=1...(5) HG2 PRO 34 - HE3 LYS 39 poor 9 76 - 13 - ~5209=1, 2.3/6089=1...(5) HB2 LYS 13 - HE3 LYS 73 poor 9 68 - 14 - 3.0/1028=1 HB2 ARG 54 - HE3 LYS 32 poor 9 61 - 15 - 1597/3.9=2, 1587/3.9=2 HB2 ARG 54 - HE2 LYS 32 poor 9 59 - 15 - 1596/3.9=2, 1586/3.9=2 HG2 PRO 34 - HE3 LYS 32 poor 8 50 - 16 - ~5567=2, 4863/1.8=2...(5) HG2 PRO 34 - HE2 LYS 32 poor 8 48 - 16 - ~5567=2, 4863/1.8=2...(5) HB2 LYS 85 - HE2 LYS 73 poor 8 54 - 14 - HB2 LYS 85 - HE3 LYS 73 poor 7 52 - 14 - HB ILE 33 - HE2 LYS 13 lone 7 85 - 8 - 1655/3.8=2, 1021/3.8=1 HB2 LEU 57 - HE2 LYS 13 lone 7 82 - 8 - 2438/3.8=1, ~4985=1 HB ILE 33 - HE3 LYS 13 lone 7 84 - 8 - 1655/3.8=2, 1021/3.8=1 HB2 LEU 57 - HE3 LYS 13 lone 7 80 - 8 - 2438/3.8=1, ~4985=1 HB2 LEU 57 - HE3 LYS 39 lone 7 90 - 7 - 4982/3.6=1 HB2 LEU 57 - HE2 LYS 39 lone 7 90 - 7 - 4982/3.6=1 HB2 LYS 83 - HE2 LYS 75 lone 6 90 - 7 - HB2 LYS 83 - HE3 LYS 75 lone 6 89 - 7 - HB2 LEU 57 - HE2 LYS 73 lone 6 60 - 10 - 2438/3.7=1, ~4604=1 HB2 LYS 13 - HE3 LYS 32 lone 6 73 - 7 - HB2 LEU 57 - HE3 LYS 73 lone 6 58 - 10 - 2438/3.7=1, ~4604=1 HB2 LYS 13 - HE2 LYS 32 lone 5 71 - 7 - HB2 LYS 85 - HE3 LYS 39 lone 5 83 - 6 - HB2 LYS 85 - HE2 LYS 39 lone 5 83 - 6 - HB ILE 33 - HE3 LYS 32 lone 5 66 - 8 - 4219/3.9=2, 1587/3.9=2 HB2 LEU 57 - HE3 LYS 32 lone 5 63 - 9 - ~4604=1 HB ILE 33 - HE2 LYS 32 lone 5 63 - 8 - 4219/3.9=2, 1587/3.9=2 HB2 LEU 57 - HE2 LYS 32 lone 5 60 - 8 - ~4604=1 HB2 ARG 69 - HE2 LYS 13 lone 5 74 - 6 - 1021/3.8=1 HB2 ARG 69 - HE2 LYS 39 lone 5 83 - 6 - HB2 ARG 69 - HE3 LYS 39 lone 5 83 - 6 - HB2 ARG 69 - HE3 LYS 13 lone 5 73 - 6 - 1021/3.8=1 HB2 LEU 57 - HE2 LYS 75 lone 5 77 - 6 - HB3 ARG 82 - HE2 LYS 39 lone 5 89 - 5 - HB3 ARG 82 - HE3 LYS 39 lone 4 88 - 5 - HB2 LEU 57 - HE3 LYS 75 lone 4 75 - 6 - HB2 LYS 83 - HE3 LYS 39 lone 4 100 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 4 100 - 4 - HB3 ARG 84 - HE2 LYS 73 lone 4 54 - 8 - HB3 ARG 84 - HE3 LYS 73 lone 4 52 - 8 - HB2 LYS 83 - HE2 LYS 13 lone 4 95 - 4 - HB2 ARG 69 - HE2 LYS 73 lone 4 54 - 8 - 2797/3.7=2 HB2 LYS 83 - HE3 LYS 13 lone 4 94 - 4 - HB ILE 33 - HE2 LYS 39 lone 4 93 - 4 - HB ILE 33 - HE3 LYS 39 lone 4 93 - 4 - HB2 ARG 69 - HE3 LYS 73 lone 4 52 - 8 - 2797/3.7=2 HB2 PRO 34 - HE2 LYS 73 lone 4 73 - 5 - HB2 PRO 34 - HE3 LYS 73 lone 4 70 - 5 - HB3 ARG 84 - HE2 LYS 39 lone 3 83 - 4 - HB3 ARG 84 - HE3 LYS 39 lone 3 83 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 3 73 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 3 71 - 4 - HB2 PRO 34 - HE2 LYS 75 lone 3 90 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 3 75 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 88 - 3 - HB2 ARG 54 - HE3 LYS 75 lone 3 73 - 4 - HB2 PRO 34 - HE2 LYS 13 lone 3 94 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 93 - 3 - HB2 LYS 85 - HE3 LYS 32 lone 3 56 - 5 - HG2 PRO 34 - HE2 LYS 73 lone 3 48 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 3 54 - 5 - HG2 PRO 34 - HE3 LYS 73 lone 3 46 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 3 59 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 56 - 4 - HB2 ARG 54 - HE3 LYS 73 lone 2 57 - 4 - HB3 ARG 84 - HE3 LYS 32 lone 2 56 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 2 54 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 2 54 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 2 59 - 4 - HB ILE 33 - HE2 LYS 75 lone 2 80 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 2 63 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 57 - 4 - HB ILE 33 - HE3 LYS 75 lone 2 78 - 3 - HG2 PRO 34 - HE3 LYS 75 lone 2 61 - 3 - HB2 ARG 54 - HE2 LYS 13 lone 2 80 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 2 79 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 2 69 - 3 - HB3 ARG 84 - HE3 LYS 75 lone 2 68 - 3 - HB3 ARG 82 - HE3 LYS 32 lone 2 61 - 3 - HB3 ARG 82 - HE2 LYS 13 lone 2 80 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 2 79 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 2 59 - 3 - HG2 PRO 34 - HE2 LYS 13 lone 2 67 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 2 66 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 2 75 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 2 74 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 1 76 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 73 - 2 - HB ILE 33 - HE2 LYS 73 lone 1 63 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 1 73 - 2 - HB ILE 33 - HE3 LYS 73 lone 1 61 - 2 - Peak 1906 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.53 A): 4 out of 80 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 3.6=96, 1869/3.0=10...(22) HG2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 3.6=96, 1869/3.0=10...(22) HG2 LYS 39 + HE2 LYS 75 OK 47 90 - 52 - 1867/3.5=4, 1867/3.5=4...(14) HG2 LYS 39 + HE3 LYS 75 OK 46 89 - 52 - 1867/3.5=4, 1867/3.5=4...(14) HG2 LYS 39 - HE2 LYS 13 OK 29 95 - 30 - 1871=2, 1.8/1881=2...(6) HG2 LYS 39 - HE3 LYS 13 OK 28 94 - 30 - 1871=2, 1871/1.8=2...(6) HB3 ARG 54 - HE3 LYS 39 OK 22 100 - 22 - 1876/3.6=4, 1896/3.0=2...(7) HB3 ARG 54 - HE2 LYS 39 OK 21 100 - 22 - 1876/3.6=4, 1896/3.0=2...(7) HG2 LYS 39 - HE2 LYS 73 OK 20 73 - 27 - 1867/3.7=2, 1870=2...(6) HG LEU 64 - HE2 LYS 39 OK 20 99 - 20 - 1876/3.6=4, 1846/4.7=2...(10) HG LEU 64 - HE3 LYS 39 OK 19 99 - 20 - 1876/3.6=4, 1846/4.7=2...(10) HG2 LYS 39 - HE3 LYS 73 OK 19 71 - 27 - 1867/3.7=2, 1870=2...(6) HG2 LYS 39 - HE3 LYS 32 OK 17 76 - 23 - 1870=1, 1.8/1880=1, 1870/1.8=1 HG2 LYS 39 - HE2 LYS 32 OK 17 73 - 23 - 1870=1, 1870/1.8=1, 1.8/1880=1 HB3 ARG 54 - HE3 LYS 32 OK 14 76 - 19 - 2319/3.9=3, 2319/3.9=2...(4) HB3 ARG 54 - HE2 LYS 32 OK 14 73 - 19 - 2319/3.9=3, 2319/3.9=2...(4) HB3 LEU 86 - HE2 LYS 39 OK 10 92 - 11 - 1876/3.6=2, 1896/3.0=1 HB3 LEU 86 - HE3 LYS 39 OK 10 92 - 11 - 1876/3.6=2, 1896/3.0=1 HG3 ARG 54 - HE3 LYS 39 poor 9 63 - 14 - 1876/3.6=2 HG3 ARG 54 - HE2 LYS 39 poor 9 63 - 14 - 1876/3.6=2 HG3 ARG 23 - HE3 LYS 39 lone 8 99 - 8 - 1876/3.6=2 HG3 ARG 23 - HE2 LYS 39 lone 8 99 - 8 - 1876/3.6=2 HG LEU 62 - HE2 LYS 39 lone 7 87 - 8 - 1876/3.6=1 HG LEU 62 - HE3 LYS 39 lone 7 87 - 8 - 1876/3.6=1 HG3 ARG 54 - HE3 LYS 32 poor 5 40 - 13 - HG3 ARG 54 - HE2 LYS 32 poor 5 39 - 13 - HG3 ARG 23 - HE2 LYS 75 lone 4 88 - 4 - HG3 ARG 23 - HE3 LYS 75 lone 4 86 - 4 - HG LEU 64 - HE2 LYS 13 lone 4 92 - 4 - HG LEU 64 - HE3 LYS 13 lone 3 90 - 4 - HG2 ARG 82 - HE3 LYS 39 lone 3 83 - 4 - HG LEU 64 - HE2 LYS 75 lone 3 87 - 4 - HB3 ARG 54 - HE2 LYS 75 lone 3 90 - 4 - HG LEU 64 - HE3 LYS 75 lone 3 85 - 4 - HB3 ARG 54 - HE3 LYS 75 lone 3 89 - 4 - HG2 ARG 82 - HE2 LYS 39 lone 3 83 - 4 - HB3 ARG 54 - HE2 LYS 73 lone 3 73 - 4 - HB3 ARG 54 - HE3 LYS 73 lone 3 71 - 4 - HG3 ARG 23 - HE2 LYS 13 lone 2 92 - 2 - HG3 ARG 23 - HE3 LYS 13 lone 2 91 - 2 - HG LEU 64 - HE3 LYS 32 lone 2 72 - 3 - HG LEU 64 - HE2 LYS 32 lone 2 70 - 3 - HG LEU 62 - HE3 LYS 32 lone 2 59 - 3 - HG LEU 62 - HE2 LYS 73 lone 2 57 - 3 - HG LEU 62 - HE2 LYS 32 lone 2 57 - 3 - HG LEU 62 - HE3 LYS 73 lone 2 55 - 3 - HB3 ARG 54 - HE2 LYS 13 lone 2 95 - 2 - HB3 LEU 86 - HE2 LYS 73 lone 2 62 - 3 - HB3 ARG 54 - HE3 LYS 13 lone 2 94 - 2 - HB3 LEU 86 - HE2 LYS 75 lone 2 78 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 2 83 - 2 - HB3 LEU 86 - HE3 LYS 73 lone 2 60 - 3 - HB3 LEU 86 - HE3 LYS 13 lone 2 82 - 2 - HB3 LEU 86 - HE3 LYS 75 lone 2 77 - 2 - HG LEU 64 - HE2 LYS 73 lone 1 70 - 2 - HG2 ARG 82 - HE2 LYS 73 lone 1 54 - 3 - HG LEU 62 - HE2 LYS 75 lone 1 73 - 2 - HG LEU 62 - HE3 LYS 75 lone 1 71 - 2 - HG LEU 64 - HE3 LYS 73 lone 1 68 - 2 - HG LEU 62 - HE2 LYS 13 lone 1 78 - 2 - HG2 ARG 82 - HE3 LYS 73 lone 1 52 - 3 - HG LEU 62 - HE3 LYS 13 lone 1 77 - 2 - HB3 LEU 86 - HE3 LYS 32 lone 1 64 - 2 - HB3 LEU 86 - HE2 LYS 32 lone 1 62 - 2 - HG3 ARG 23 - HE2 LYS 73 lone 1 71 - 2 - HG3 ARG 23 - HE3 LYS 73 lone 1 68 - 2 - HG2 ARG 82 - HE3 LYS 32 lone 1 56 - 2 - HG2 ARG 82 - HE2 LYS 32 lone 1 54 - 2 - HG3 ARG 54 - HE2 LYS 73 lone 1 39 - 3 - HG3 ARG 54 - HE3 LYS 73 lone 1 37 - 3 - HG3 ARG 54 - HE2 LYS 75 lone 1 51 - 2 - HG3 ARG 23 - HE3 LYS 32 lone 1 73 - 1 - HG3 ARG 54 - HE3 LYS 75 lone 1 50 - 2 - HG3 ARG 23 - HE2 LYS 32 lone 1 71 - 1 - HG2 ARG 82 - HE2 LYS 75 lone 1 69 - 1 - HG2 ARG 82 - HE2 LYS 13 lone 1 74 - 1 - HG2 ARG 82 - HE3 LYS 75 lone 1 68 - 1 - HG2 ARG 82 - HE3 LYS 13 lone 1 73 - 1 - HG3 ARG 54 - HE2 LYS 13 lone 1 55 - 1 - HG3 ARG 54 - HE3 LYS 13 lone 1 54 - 1 - Peak 1907 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.09 A): 8 out of 120 assignments used, quality = 1.00: HG3 LYS 39 + HE3 LYS 39 OK 81 100 - 81 - 3.6=65, 1879/3.0=7...(14) * HG3 LYS 39 + HE2 LYS 39 OK 81 100 - 81 - 3.6=65, 1879/3.0=7...(14) HG3 LYS 75 + HE2 LYS 75 OK 64 78 - 81 - 3.5=70, 2.9/1057=2...(22) HG2 LYS 75 + HE2 LYS 75 OK 64 78 - 81 - 3.5=70, 2.9/1057=2...(22) HG2 LYS 75 + HE3 LYS 75 OK 62 77 - 81 - 3.5=70, 2.9/1047=2...(22) HG3 LYS 75 + HE3 LYS 75 OK 62 77 - 81 - 3.5=70, 2.9/1047=2...(22) HG2 LYS 13 + HE2 LYS 13 OK 55 76 - 72 - 3.8=54, 1043/2.9=4...(24) HG2 LYS 13 + HE3 LYS 13 OK 54 75 - 72 - 3.8=54, 1043/2.9=4...(22) HG3 LYS 73 - HE2 LYS 73 OK 40 59 - 68 - 3.7=58, 2999/6.1=1 HG3 LYS 73 - HE3 LYS 73 OK 39 57 - 68 - 3.7=58, 2999/6.1=1 HG3 LYS 39 - HE2 LYS 75 OK 33 90 - 37 - 1880=2, 1.8/1870=2...(11) HG3 LYS 39 - HE3 LYS 75 OK 32 89 - 37 - 1880=2, 1.8/1870=2...(11) HG3 LYS 75 - HE3 LYS 39 OK 26 92 - 29 - 1867/3.6=3, 1837/6.2=1...(5) HG2 LYS 75 - HE3 LYS 39 OK 26 92 - 29 - 1867/3.6=3, 1837/6.2=1...(5) HG3 LYS 75 - HE2 LYS 39 OK 26 92 - 28 - 1867/3.6=3, 1837/6.2=1...(5) HG2 LYS 75 - HE2 LYS 39 OK 26 92 - 28 - 1867/3.6=3, 1837/6.2=1...(5) HG3 LYS 75 - HE2 LYS 13 OK 22 83 - 27 - 3102/2.9=1, 3112/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 22 83 - 27 - 3102/2.9=1, 3112/2.9=1 HG3 LYS 75 - HE3 LYS 13 OK 22 82 - 27 - 3102/2.9=1, 3112/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 22 82 - 27 - 3102/2.9=1, 3112/2.9=1 HG3 LYS 39 - HE2 LYS 13 OK 21 95 - 22 - 1881=2, 1881/1.8=2...(5) HG3 LYS 39 - HE3 LYS 13 OK 21 94 - 22 - 1881=2, 1881/1.8=2...(5) HG3 LYS 73 - HE2 LYS 75 OK 21 75 - 28 - HG2 LYS 13 - HE2 LYS 75 OK 21 71 - 29 - 1027=2, 1028/1.8=2...(6) HG3 LYS 73 - HE3 LYS 75 OK 20 73 - 28 - HG2 LYS 13 - HE3 LYS 75 OK 20 70 - 29 - 1027=2, 1028/1.8=2...(6) HG2 LYS 75 - HE2 LYS 73 OK 14 62 - 24 - HG3 LYS 75 - HE2 LYS 73 OK 14 62 - 24 - HG3 LYS 39 - HE2 LYS 73 OK 14 73 - 20 - 1880=1, 1.8/1870=1...(4) HG2 LYS 75 - HE3 LYS 73 OK 14 60 - 24 - HG3 LYS 75 - HE3 LYS 73 OK 14 60 - 24 - HG3 LYS 39 - HE3 LYS 73 OK 14 71 - 20 - 1880/1.8=1, 1880=1...(4) HG3 LYS 73 - HE2 LYS 13 OK 13 80 - 16 - HG3 LYS 73 - HE3 LYS 13 OK 13 79 - 16 - HG3 LYS 39 - HE3 LYS 32 OK 12 76 - 16 - HG3 LYS 39 - HE2 LYS 32 OK 12 73 - 16 - HG3 LYS 73 - HE3 LYS 32 OK 12 61 - 20 - HG3 LYS 73 - HE2 LYS 32 OK 11 59 - 20 - HG3 LYS 73 - HE3 LYS 39 OK 11 88 - 13 - 1867/3.6=1 HG3 LYS 73 - HE2 LYS 39 OK 11 89 - 12 - 1867/3.6=1 HG2 LYS 13 - HE3 LYS 39 poor 9 85 - 11 - 1867/3.6=1 HG2 LYS 13 - HE2 LYS 39 poor 9 85 - 11 - 1867/3.6=1 HB3 ARG 69 - HE2 LYS 75 poor 9 85 - 10 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 poor 8 83 - 10 - 2802/5.0=1 HG3 LYS 75 - HE3 LYS 32 poor 8 64 - 12 - HG2 LYS 75 - HE3 LYS 32 poor 8 64 - 12 - HG2 LYS 75 - HE2 LYS 32 poor 8 62 - 12 - HG3 LYS 75 - HE2 LYS 32 poor 8 62 - 12 - HG2 LYS 85 - HE2 LYS 75 poor 7 53 - 12 - HG2 LYS 85 - HE3 LYS 75 poor 6 52 - 12 - HG2 LYS 13 - HE2 LYS 73 poor 6 56 - 11 - HG2 LYS 13 - HE3 LYS 73 poor 6 53 - 11 - HG2 LYS 85 - HE2 LYS 13 lone 5 57 - 9 - HG2 LYS 85 - HE3 LYS 13 lone 5 56 - 9 - HB3 ARG 69 - HE3 LYS 39 lone 4 97 - 5 - HB3 ARG 69 - HE2 LYS 39 lone 4 97 - 5 - HB3 ARG 69 - HE2 LYS 73 lone 4 68 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 4 66 - 7 - 2802/4.7=1 HG2 LYS 85 - HE2 LYS 73 poor 4 41 - 11 - HG2 LYS 85 - HE3 LYS 73 poor 4 39 - 11 - HG3 ARG 69 - HE2 LYS 75 lone 4 51 - 8 - HG3 ARG 69 - HE3 LYS 75 lone 4 50 - 8 - QB ALA 53 - HE2 LYS 39 lone 4 96 - 4 - QB ALA 53 - HE3 LYS 39 lone 3 95 - 4 - HG2 LYS 13 - HE3 LYS 32 lone 3 58 - 6 - HG2 LYS 13 - HE2 LYS 32 lone 3 56 - 6 - HB3 ARG 69 - HE2 LYS 13 lone 3 90 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 89 - 3 - HB3 ARG 69 - HE3 LYS 32 lone 3 71 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 3 68 - 4 - HG2 LYS 85 - HE3 LYS 39 lone 2 65 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 2 65 - 3 - HG3 ARG 69 - HE2 LYS 73 lone 2 39 - 5 - QB ALA 78 - HE2 LYS 75 lone 2 75 - 2 - HG3 ARG 69 - HE2 LYS 39 lone 2 63 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 63 - 3 - QB ALA 78 - HE3 LYS 75 lone 2 73 - 2 - HG3 ARG 69 - HE3 LYS 73 lone 2 37 - 5 - QB ALA 53 - HE2 LYS 73 lone 2 66 - 3 - QB ALA 77 - HE2 LYS 75 lone 2 49 - 4 - QB ALA 53 - HE3 LYS 73 lone 2 63 - 3 - QB ALA 77 - HE3 LYS 75 lone 2 47 - 4 - QB ALA 78 - HE2 LYS 39 lone 1 89 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 88 - 2 - HG2 LYS 85 - HE3 LYS 32 lone 1 42 - 3 - QB ALA 78 - HE2 LYS 73 lone 1 59 - 2 - HG2 LYS 85 - HE2 LYS 32 lone 1 41 - 3 - QB ALA 78 - HE3 LYS 73 lone 1 57 - 2 - QB ALA 53 - HE2 LYS 75 lone 1 83 - 1 - HG3 ARG 69 - HE2 LYS 13 lone 1 55 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 81 - 1 - QB ALA 53 - HE3 LYS 32 lone 1 68 - 2 - HG3 ARG 69 - HE3 LYS 13 lone 1 54 - 2 - QB ALA 53 - HE2 LYS 32 lone 1 66 - 2 - HG3 ARG 69 - HE3 LYS 32 lone 1 40 - 3 - HG3 ARG 69 - HE2 LYS 32 lone 1 39 - 3 - QB ALA 77 - HE2 LYS 39 lone 1 60 - 1 - QB ALA 77 - HE3 LYS 39 lone 1 60 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 80 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 79 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 53 - 1 - QB ALA 20 - HE3 LYS 75 lone 1 52 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 65 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 65 - 1 - QB ALA 77 - HE2 LYS 73 lone 1 37 - 2 - QB ALA 53 - HE2 LYS 13 lone 0 87 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 61 - 1 - QB ALA 53 - HE3 LYS 13 lone 0 86 - 1 - QB ALA 77 - HE3 LYS 73 lone 1 35 - 1 - QB ALA 78 - HE2 LYS 32 lone 0 59 - 1 - QB ALA 77 - HE2 LYS 13 lone 0 52 - 1 - QB ALA 77 - HE3 LYS 13 lone 0 51 - 1 - QB ALA 20 - HE2 LYS 13 lone 0 57 - 1 - QB ALA 20 - HE3 LYS 13 lone 0 56 - 1 - QB ALA 20 - HE2 LYS 73 lone 0 41 - 1 - QB ALA 77 - HE3 LYS 32 lone 0 38 - 1 - QB ALA 20 - HE3 LYS 73 lone 0 39 - 1 - QB ALA 77 - HE2 LYS 32 lone 0 37 - 1 - QB ALA 20 - HE3 LYS 32 lone 0 42 - 1 - QB ALA 20 - HE2 LYS 32 lone 0 41 - 1 - Peak 1908 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 4 out of 160 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 - HE3 LYS 32 OK 42 42 - 100 - 3.0=100 HD2 LYS 73 - HE2 LYS 73 OK 41 41 - 100 - 3.0=100 HD3 LYS 73 - HE2 LYS 73 OK 41 41 - 100 - 3.0=100 HD2 LYS 32 - HE2 LYS 32 OK 41 41 - 100 - 3.0=100 HD2 LYS 73 - HE3 LYS 73 OK 39 39 - 100 - 3.0=100 HD3 LYS 73 - HE3 LYS 73 OK 39 39 - 100 - 3.0=100 HD3 LYS 32 - HE3 LYS 32 OK 38 38 - 100 - 3.0=100 HD3 LYS 32 - HE2 LYS 32 OK 37 37 - 100 - 3.0=100 HD3 LYS 39 - HE2 LYS 75 OK 24 90 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HB3 LEU 51 - HE2 LYS 39 OK 24 90 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HB3 LEU 51 - HE3 LYS 39 OK 24 90 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HD2 LYS 39 - HE2 LYS 75 OK 24 90 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE3 LYS 75 OK 24 89 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE3 LYS 75 OK 23 89 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE2 LYS 13 OK 15 95 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE2 LYS 13 OK 14 95 - 15 - 3.0/1881=1, 3.0/1871=1 HD3 LYS 39 - HE3 LYS 13 OK 14 94 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE3 LYS 13 OK 14 94 - 15 - 3.0/1881=1, 3.0/1871=1 HG3 ARG 54 - HE3 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HG3 ARG 54 - HE2 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HD3 LYS 73 - HE2 LYS 75 OK 12 53 - 23 - 2.9/6146=1 HD2 LYS 73 - HE2 LYS 75 OK 12 53 - 23 - 2.9/6146=1 HD2 LYS 73 - HE3 LYS 75 OK 12 52 - 23 - 2.9/6146=1 HD3 LYS 73 - HE3 LYS 75 OK 12 52 - 23 - 2.9/6146=1 HD2 LYS 32 - HE2 LYS 73 OK 11 41 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD2 LYS 32 - HE3 LYS 73 OK 10 39 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD3 LYS 32 - HE2 LYS 73 poor 10 37 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD3 LYS 32 - HE3 LYS 73 poor 9 35 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD3 LYS 39 - HE2 LYS 73 poor 9 73 - 12 - HD2 LYS 39 - HE2 LYS 73 poor 9 73 - 12 - HD3 LYS 39 - HE3 LYS 73 poor 9 71 - 12 - HD2 LYS 39 - HE3 LYS 73 poor 9 71 - 12 - HG LEU 86 - HE2 LYS 39 lone 8 92 - 9 - 1869/3.6=1 HG LEU 86 - HE3 LYS 39 lone 8 92 - 9 - 1869/3.6=1 HG3 ARG 54 - HE3 LYS 32 poor 8 73 - 11 - 2335/3.9=1, 2335/3.9=1 HD3 LYS 39 - HE3 LYS 32 poor 8 76 - 11 - HD2 LYS 39 - HE3 LYS 32 poor 8 76 - 11 - HG3 ARG 54 - HE2 LYS 32 poor 8 71 - 11 - 2335/3.9=1, 2335/3.9=1 HD3 LYS 73 - HE2 LYS 13 poor 8 57 - 14 - HD2 LYS 73 - HE2 LYS 13 poor 8 57 - 14 - HD3 LYS 39 - HE2 LYS 32 poor 8 73 - 11 - HD3 LYS 73 - HE3 LYS 13 poor 8 56 - 14 - HD2 LYS 73 - HE3 LYS 13 poor 8 56 - 14 - HD2 LYS 39 - HE2 LYS 32 poor 8 73 - 11 - HD2 LYS 32 - HE3 LYS 39 poor 7 65 - 11 - HD2 LYS 32 - HE2 LYS 39 poor 7 65 - 11 - HD2 LYS 73 - HE3 LYS 32 poor 7 42 - 16 - 1608/3.9=1 HD3 LYS 73 - HE3 LYS 32 poor 7 42 - 16 - 1608/3.9=1 HD3 LYS 73 - HE3 LYS 39 poor 7 65 - 10 - HD2 LYS 73 - HE3 LYS 39 poor 7 65 - 10 - HD3 LYS 73 - HE2 LYS 39 poor 7 65 - 10 - HD2 LYS 73 - HE2 LYS 39 poor 7 65 - 10 - HB3 LEU 51 - HE3 LYS 32 poor 7 63 - 11 - 2225/3.9=2, 3.1/6088=1 HD2 LYS 73 - HE2 LYS 32 poor 7 41 - 16 - 1608/3.9=1 HD3 LYS 73 - HE2 LYS 32 poor 7 41 - 16 - 1608/3.9=1 HD3 LYS 32 - HE3 LYS 39 poor 7 60 - 11 - HD2 LYS 32 - HE2 LYS 75 poor 6 53 - 12 - HB3 LEU 51 - HE2 LYS 32 poor 6 60 - 11 - 2225/3.9=2, 3.1/6088=1 HD3 LYS 32 - HE2 LYS 39 poor 6 60 - 11 - HB3 LEU 62 - HE2 LYS 39 lone 6 100 - 6 - HB3 LEU 62 - HE3 LYS 39 lone 6 100 - 6 - HD2 LYS 32 - HE3 LYS 75 poor 6 52 - 12 - HB3 LEU 86 - HE2 LYS 39 lone 6 83 - 7 - HB3 LEU 86 - HE3 LYS 39 lone 6 83 - 7 - HD3 LYS 32 - HE2 LYS 75 poor 6 49 - 12 - HD3 LYS 32 - HE3 LYS 75 poor 6 47 - 12 - HB3 LEU 29 - HE2 LYS 13 lone 5 94 - 5 - HB3 LEU 29 - HE3 LYS 13 lone 5 93 - 5 - HB3 LEU 29 - HE3 LYS 39 lone 5 100 - 5 - HB3 LEU 29 - HE2 LYS 39 lone 5 100 - 5 - HB3 LEU 51 - HE2 LYS 75 lone 5 77 - 6 - 3.1/6088=1 HG LEU 62 - HE2 LYS 39 lone 5 89 - 5 - HG LEU 62 - HE3 LYS 39 lone 5 88 - 5 - HB3 LEU 51 - HE3 LYS 75 lone 5 75 - 6 - HB3 LEU 29 - HE2 LYS 75 lone 4 90 - 5 - HB3 LEU 29 - HE3 LYS 75 lone 4 88 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 57 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 4 56 - 7 - HD3 LYS 32 - HE2 LYS 13 lone 4 52 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 4 51 - 7 - HB3 LEU 51 - HE2 LYS 73 lone 3 60 - 6 - HB3 LEU 51 - HE3 LYS 73 lone 3 58 - 6 - HG3 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG3 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 3 68 - 4 - HG3 ARG 84 - HE2 LYS 73 lone 3 68 - 4 - HG3 ARG 84 - HE3 LYS 73 lone 3 66 - 4 - HG2 ARG 84 - HE3 LYS 73 lone 3 66 - 4 - HB3 LEU 51 - HE2 LYS 13 lone 2 82 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 2 80 - 3 - HB3 LEU 29 - HE2 LYS 73 lone 2 73 - 3 - HB3 LEU 29 - HE3 LYS 73 lone 2 70 - 3 - HB3 LEU 62 - HE2 LYS 73 lone 2 72 - 3 - HB3 LEU 29 - HE3 LYS 32 lone 2 75 - 3 - HB3 LEU 62 - HE3 LYS 73 lone 2 70 - 3 - HB3 LEU 62 - HE3 LYS 32 lone 2 75 - 2 - HB3 LEU 29 - HE2 LYS 32 lone 2 73 - 3 - HG3 ARG 84 - HE3 LYS 32 lone 2 71 - 3 - HG2 ARG 84 - HE3 LYS 32 lone 2 71 - 3 - HG3 ARG 54 - HE2 LYS 73 lone 2 71 - 3 - HB3 LEU 62 - HE2 LYS 32 lone 2 72 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 68 - 3 - HG2 ARG 84 - HE2 LYS 32 lone 2 68 - 3 - HG3 ARG 54 - HE3 LYS 73 lone 2 68 - 3 - HG3 ARG 54 - HE2 LYS 75 lone 2 88 - 2 - HG3 ARG 54 - HE3 LYS 75 lone 2 86 - 2 - HB3 LEU 62 - HE2 LYS 13 lone 1 93 - 2 - HB3 LEU 62 - HE3 LYS 13 lone 1 92 - 2 - HG LEU 62 - HE3 LYS 32 lone 1 61 - 2 - HB3 LEU 62 - HE2 LYS 75 lone 1 89 - 2 - HG LEU 62 - HE2 LYS 32 lone 1 59 - 2 - HB3 LEU 62 - HE3 LYS 75 lone 1 87 - 2 - HG LEU 62 - HE2 LYS 73 lone 1 59 - 2 - HG LEU 86 - HE2 LYS 75 lone 1 78 - 2 - HG LEU 86 - HE2 LYS 73 lone 1 62 - 2 - HG LEU 62 - HE3 LYS 73 lone 1 57 - 2 - HG LEU 86 - HE2 LYS 13 lone 1 83 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 77 - 2 - HG LEU 86 - HE3 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 60 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 1 74 - 2 - HB3 LEU 86 - HE3 LYS 13 lone 1 73 - 2 - HB3 LEU 86 - HE2 LYS 73 lone 1 54 - 2 - HG3 ARG 54 - HE2 LYS 13 lone 1 92 - 1 - HG3 ARG 54 - HE3 LYS 13 lone 1 91 - 1 - HB3 LEU 86 - HE2 LYS 75 lone 1 69 - 2 - HG3 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HB3 LEU 86 - HE3 LYS 73 lone 1 52 - 2 - HG LEU 86 - HE3 LYS 32 lone 1 64 - 2 - HB3 LEU 86 - HE3 LYS 75 lone 1 68 - 2 - HG3 ARG 84 - HE3 LYS 75 lone 1 83 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 83 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 62 - 2 - HG LEU 62 - HE2 LYS 13 lone 1 80 - 1 - HG LEU 62 - HE3 LYS 13 lone 1 79 - 1 - HG3 ARG 70 - HE3 LYS 32 lone 1 38 - 3 - HG LEU 62 - HE2 LYS 75 lone 1 75 - 1 - HB3 LEU 86 - HE3 LYS 32 lone 1 56 - 2 - HG3 ARG 70 - HE2 LYS 32 lone 1 37 - 3 - HG LEU 62 - HE3 LYS 75 lone 1 73 - 1 - HB3 LEU 86 - HE2 LYS 32 lone 1 54 - 2 - HG2 ARG 84 - HE2 LYS 13 lone 1 90 - 1 - HG3 ARG 84 - HE2 LYS 13 lone 1 90 - 1 - HG2 ARG 84 - HE3 LYS 13 lone 1 89 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 1 89 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 37 - 2 - HG3 ARG 70 - HE3 LYS 73 lone 1 35 - 2 - HG3 ARG 70 - HE2 LYS 39 lone 0 60 - 1 - HG3 ARG 70 - HE3 LYS 39 lone 0 60 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 0 49 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 0 47 - 1 - HG3 ARG 70 - HE2 LYS 13 lone 0 52 - 1 - HG3 ARG 70 - HE3 LYS 13 lone 0 51 - 1 - Peak 1909 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 4 out of 140 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 - HE3 LYS 32 OK 40 40 - 100 - 3.0=100 HD2 LYS 73 - HE2 LYS 73 OK 39 39 - 100 - 3.0=100 HD2 LYS 32 - HE2 LYS 32 OK 39 39 - 100 - 3.0=100 HD3 LYS 73 - HE2 LYS 73 OK 39 39 - 100 - 3.0=100 HD3 LYS 73 - HE3 LYS 73 OK 37 37 - 100 - 3.0=100 HD2 LYS 73 - HE3 LYS 73 OK 37 37 - 100 - 3.0=100 HD3 LYS 39 - HE2 LYS 75 OK 24 90 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE2 LYS 75 OK 24 90 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE3 LYS 75 OK 24 89 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HB3 LEU 51 - HE2 LYS 39 OK 23 89 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HB3 LEU 51 - HE3 LYS 39 OK 23 88 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HD2 LYS 39 - HE3 LYS 75 OK 23 89 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE2 LYS 13 OK 15 95 - 15 - 3.0/1881=1, 3.0/1871=1 HD3 LYS 39 - HE3 LYS 13 OK 14 94 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE2 LYS 13 OK 14 95 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE3 LYS 13 OK 14 94 - 15 - 3.0/1881=1, 3.0/1871=1 HG3 ARG 54 - HE3 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HG3 ARG 54 - HE2 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HD3 LYS 73 - HE2 LYS 75 OK 12 51 - 23 - 2.9/6146=1 HD2 LYS 73 - HE2 LYS 75 OK 12 51 - 23 - 2.9/6146=1 HD3 LYS 73 - HE3 LYS 75 OK 11 50 - 23 - 2.9/6146=1 HD2 LYS 73 - HE3 LYS 75 OK 11 50 - 23 - 2.9/6146=1 HD2 LYS 32 - HE2 LYS 73 OK 10 39 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD2 LYS 32 - HE3 LYS 73 poor 10 37 - 27 - 3.0/1603=2, 3.0/1593=1...(8) HD3 LYS 39 - HE2 LYS 73 poor 9 73 - 12 - HD2 LYS 39 - HE2 LYS 73 poor 9 73 - 12 - HD3 LYS 39 - HE3 LYS 73 poor 9 71 - 12 - HD2 LYS 39 - HE3 LYS 73 poor 9 71 - 12 - HG3 ARG 54 - HE3 LYS 32 poor 8 74 - 11 - 2335/3.9=1, 2335/3.9=1 HD3 LYS 39 - HE3 LYS 32 poor 8 76 - 11 - HG LEU 86 - HE2 LYS 39 lone 8 90 - 9 - 1869/3.6=1 HG LEU 86 - HE3 LYS 39 lone 8 90 - 9 - 1869/3.6=1 HG3 ARG 54 - HE2 LYS 32 poor 8 71 - 11 - 2335/3.9=1, 2335/3.9=1 HD2 LYS 39 - HE3 LYS 32 poor 8 76 - 10 - HD3 LYS 39 - HE2 LYS 32 poor 8 73 - 11 - HD2 LYS 39 - HE2 LYS 32 poor 8 73 - 10 - HD3 LYS 73 - HE2 LYS 13 poor 8 55 - 14 - HD2 LYS 73 - HE2 LYS 13 poor 8 55 - 14 - HD2 LYS 73 - HE3 LYS 13 poor 7 54 - 14 - HD3 LYS 73 - HE3 LYS 13 poor 7 54 - 14 - HD2 LYS 32 - HE3 LYS 39 poor 7 63 - 11 - HD2 LYS 32 - HE2 LYS 39 poor 7 63 - 11 - HD3 LYS 73 - HE3 LYS 39 poor 7 63 - 10 - HD2 LYS 73 - HE3 LYS 39 poor 7 63 - 10 - HB3 LEU 51 - HE3 LYS 32 poor 7 61 - 11 - 2225/3.9=2, 3.1/6088=1 HD3 LYS 73 - HE2 LYS 39 poor 6 63 - 10 - HD2 LYS 73 - HE2 LYS 39 poor 6 63 - 10 - HD3 LYS 73 - HE3 LYS 32 poor 6 40 - 16 - HD2 LYS 73 - HE3 LYS 32 poor 6 40 - 16 - HB3 LEU 86 - HE2 LYS 39 lone 6 85 - 7 - HB3 LEU 62 - HE2 LYS 39 lone 6 99 - 6 - HB3 LEU 62 - HE3 LYS 39 lone 6 99 - 6 - HB3 LEU 86 - HE3 LYS 39 lone 6 85 - 7 - HB3 LEU 51 - HE2 LYS 32 poor 6 59 - 11 - 2225/3.9=2, 3.1/6088=1 HD2 LYS 73 - HE2 LYS 32 poor 6 39 - 16 - HD3 LYS 73 - HE2 LYS 32 poor 6 39 - 16 - HD2 LYS 32 - HE2 LYS 75 poor 6 51 - 12 - HD2 LYS 32 - HE3 LYS 75 poor 6 50 - 12 - HB3 LEU 29 - HE2 LYS 13 lone 5 94 - 5 - HB3 LEU 29 - HE3 LYS 13 lone 5 93 - 5 - HG LEU 62 - HE2 LYS 39 lone 5 90 - 5 - HG LEU 62 - HE3 LYS 39 lone 5 90 - 5 - HB3 LEU 29 - HE3 LYS 39 lone 5 100 - 5 - HB3 LEU 29 - HE2 LYS 39 lone 5 100 - 5 - HB3 LEU 51 - HE2 LYS 75 lone 5 75 - 6 - 3.1/6088=1 HB3 LEU 51 - HE3 LYS 75 lone 4 73 - 6 - HB3 LEU 29 - HE2 LYS 75 lone 4 90 - 5 - HB3 LEU 29 - HE3 LYS 75 lone 4 88 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 55 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 4 54 - 7 - HB3 LEU 51 - HE2 LYS 73 lone 3 59 - 5 - HB3 LEU 51 - HE3 LYS 73 lone 3 57 - 5 - HG3 ARG 84 - HE3 LYS 39 lone 3 96 - 3 - HG2 ARG 84 - HE3 LYS 39 lone 3 96 - 3 - HG3 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 3 67 - 4 - HG3 ARG 84 - HE2 LYS 73 lone 3 67 - 4 - HG2 ARG 84 - HE3 LYS 73 lone 3 65 - 4 - HG3 ARG 84 - HE3 LYS 73 lone 3 65 - 4 - HB3 LEU 51 - HE2 LYS 13 lone 2 80 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 2 79 - 3 - HB3 LEU 29 - HE2 LYS 73 lone 2 73 - 3 - HB3 LEU 29 - HE3 LYS 73 lone 2 71 - 3 - HB3 LEU 29 - HE3 LYS 32 lone 2 76 - 3 - HB3 LEU 62 - HE2 LYS 73 lone 2 71 - 3 - HB3 LEU 29 - HE2 LYS 32 lone 2 73 - 3 - HB3 LEU 62 - HE3 LYS 73 lone 2 69 - 3 - HB3 LEU 62 - HE3 LYS 32 lone 2 74 - 2 - HG3 ARG 54 - HE2 LYS 73 lone 2 71 - 3 - HG2 ARG 84 - HE3 LYS 32 lone 2 70 - 3 - HG3 ARG 84 - HE3 LYS 32 lone 2 70 - 3 - HB3 LEU 62 - HE2 LYS 32 lone 2 71 - 2 - HG3 ARG 54 - HE3 LYS 73 lone 2 69 - 3 - HG2 ARG 84 - HE2 LYS 32 lone 2 67 - 3 - HG3 ARG 84 - HE2 LYS 32 lone 2 67 - 3 - HG3 ARG 54 - HE2 LYS 75 lone 2 89 - 2 - HG3 ARG 54 - HE3 LYS 75 lone 2 87 - 2 - HB3 LEU 62 - HE2 LYS 13 lone 1 93 - 2 - HB3 LEU 62 - HE3 LYS 13 lone 1 92 - 2 - HG LEU 62 - HE3 LYS 32 lone 1 63 - 2 - HG LEU 62 - HE2 LYS 32 lone 1 60 - 2 - HB3 LEU 62 - HE2 LYS 75 lone 1 89 - 2 - HG LEU 62 - HE2 LYS 73 lone 1 60 - 2 - HB3 LEU 62 - HE3 LYS 75 lone 1 87 - 2 - HG LEU 62 - HE3 LYS 73 lone 1 58 - 2 - HG LEU 86 - HE2 LYS 75 lone 1 77 - 2 - HG LEU 86 - HE2 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 75 - 2 - HG LEU 86 - HE3 LYS 13 lone 1 80 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 60 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 1 76 - 2 - HB3 LEU 86 - HE3 LYS 13 lone 1 75 - 2 - HG LEU 86 - HE3 LYS 73 lone 1 58 - 2 - HB3 LEU 86 - HE2 LYS 73 lone 1 56 - 2 - HB3 LEU 86 - HE2 LYS 75 lone 1 71 - 2 - HG3 ARG 54 - HE2 LYS 13 lone 1 93 - 1 - HB3 LEU 86 - HE3 LYS 73 lone 1 53 - 2 - HG3 ARG 54 - HE3 LYS 13 lone 1 92 - 1 - HB3 LEU 86 - HE3 LYS 75 lone 1 70 - 2 - HG2 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 82 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 82 - 1 - HG LEU 62 - HE2 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 63 - 2 - HG LEU 62 - HE3 LYS 13 lone 1 80 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 60 - 2 - HB3 LEU 86 - HE3 LYS 32 lone 1 58 - 2 - HG LEU 62 - HE2 LYS 75 lone 1 77 - 1 - HG LEU 62 - HE3 LYS 75 lone 1 75 - 1 - HB3 LEU 86 - HE2 LYS 32 lone 1 56 - 2 - HG3 ARG 84 - HE2 LYS 13 lone 1 89 - 1 - HG2 ARG 84 - HE2 LYS 13 lone 1 89 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 1 88 - 1 - HG2 ARG 84 - HE3 LYS 13 lone 1 88 - 1 - Peak 1910 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 90 90 - 100 HE3 LYS 13 + HE3 LYS 13 OK 88 88 - 100 HE2 LYS 75 + HE2 LYS 75 OK 77 77 - 100 HE3 LYS 75 + HE3 LYS 75 OK 73 73 - 100 HE3 LYS 32 + HE3 LYS 32 OK 50 50 - 100 HE2 LYS 32 + HE2 LYS 32 OK 46 46 - 100 HE2 LYS 73 + HE2 LYS 73 OK 46 46 - 100 HE3 LYS 73 - HE3 LYS 73 OK 43 43 - 100 Peak 1911 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 10 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 87 87 - 100 HE3 LYS 13 + HE3 LYS 13 OK 85 85 - 100 HE2 LYS 75 + HE2 LYS 75 OK 73 73 - 100 HE3 LYS 75 + HE3 LYS 75 OK 70 70 - 100 HE3 LYS 32 + HE3 LYS 32 OK 46 46 - 100 HE2 LYS 32 - HE2 LYS 32 OK 43 43 - 100 HE2 LYS 73 - HE2 LYS 73 OK 43 43 - 100 HE3 LYS 73 - HE3 LYS 73 OK 39 39 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1914 from cnoeabs.peaks (1.85, 2.98, 41.78 ppm; 4.16 A): 6 out of 140 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 90 100 - 90 - 4.7=70, 1884/3.0=5...(37) HB2 LYS 39 + HE2 LYS 39 OK 90 100 - 90 - 4.7=70, 1884/3.0=5...(33) HB2 LYS 75 + HE2 LYS 75 OK 65 79 - 82 - 5.0=59, 3128/2.9=5...(38) HB2 LYS 75 + HE3 LYS 75 OK 63 77 - 82 - 5.0=59, 3128/2.9=5...(38) HB2 LYS 39 + HE2 LYS 75 OK 51 87 - 59 - 2.9/1870=4, 2.9/1880=3...(30) HB2 LYS 39 + HE3 LYS 75 OK 50 85 - 60 - 2.9/1870=3, 2.9/1880=3...(30) HB2 LYS 75 - HE3 LYS 39 OK 42 96 - 44 - 1864/3.6=6, 1874/3.6=5...(13) HB2 LYS 75 - HE2 LYS 39 OK 42 95 - 44 - 1864/3.6=6, 1874/3.6=5...(13) HB2 LYS 75 - HE2 LYS 13 OK 36 85 - 42 - 3118/2.9=2, 3128/2.9=2...(13) HB2 LYS 75 - HE3 LYS 13 OK 35 84 - 42 - 3118/2.9=2, 3128/2.9=2...(13) HB2 LYS 39 - HE2 LYS 13 OK 34 93 - 36 - 2.9/1871=2, 2.9/1881=2...(13) HB2 LYS 39 - HE3 LYS 13 OK 33 91 - 36 - 2.9/1871=2, 2.9/1881=2...(13) HB2 LYS 39 - HE2 LYS 73 OK 22 68 - 32 - 2.9/1870=2, 2.9/1880=2...(9) HB2 LYS 39 - HE3 LYS 73 OK 21 65 - 32 - 2.9/1870=2, 2.9/1880=2...(10) HB2 LYS 39 - HE3 LYS 32 OK 19 71 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 75 - HE2 LYS 73 OK 18 61 - 30 - 2972/3.7=1, 3.0/3075=1...(7) HB2 LYS 39 - HE2 LYS 32 OK 18 68 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 75 - HE3 LYS 73 OK 18 58 - 31 - 2972/3.7=1, 3.0/3075=1...(7) HB3 PRO 34 - HE3 LYS 39 OK 14 85 - 17 - 1864/3.6=3, 1874/3.6=3...(4) HB3 PRO 34 - HE2 LYS 39 OK 14 85 - 17 - 1864/3.6=3, 1874/3.6=3...(4) HB3 ARG 23 - HE3 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE2 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE3 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE2 LYS 39 OK 12 99 - 12 - 1864/3.6=2, 1874/3.6=2 HB2 LYS 75 - HE3 LYS 32 OK 10 63 - 16 - HB2 LYS 75 - HE2 LYS 32 OK 10 61 - 16 - HB3 PRO 34 - HE3 LYS 32 poor 9 53 - 17 - ~4863=2, ~5567=2...(4) HB3 PRO 34 - HE2 LYS 32 poor 8 51 - 17 - ~4863=2, ~5567=2, ~5209=1 HB3 ARG 71 - HE3 LYS 32 poor 8 71 - 12 - HB2 ARG 71 - HE3 LYS 32 poor 8 71 - 12 - HB3 ARG 71 - HE2 LYS 32 poor 8 68 - 12 - HB2 ARG 71 - HE2 LYS 32 poor 8 68 - 12 - HB3 ARG 23 - HE2 LYS 75 lone 6 84 - 7 - HB2 ARG 23 - HE2 LYS 75 lone 6 83 - 7 - HB3 ARG 23 - HE3 LYS 75 lone 6 82 - 7 - HB2 ARG 23 - HE3 LYS 75 lone 6 81 - 7 - HB3 ARG 71 - HE2 LYS 73 lone 6 68 - 9 - HB2 ARG 71 - HE2 LYS 73 lone 6 68 - 9 - HB3 ARG 71 - HE3 LYS 73 lone 6 65 - 9 - HB2 ARG 71 - HE3 LYS 73 lone 6 65 - 9 - HB3 ARG 71 - HE3 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE3 LYS 39 lone 5 100 - 5 - HB3 ARG 71 - HE2 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE2 LYS 39 lone 5 100 - 5 - HB2 ARG 71 - HE2 LYS 75 lone 5 87 - 6 - HB3 ARG 71 - HE2 LYS 75 lone 5 87 - 6 - HB3 ARG 71 - HE3 LYS 75 lone 5 85 - 6 - HB2 ARG 71 - HE3 LYS 75 lone 5 85 - 6 - HB3 ARG 27 - HE3 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HE3 LYS 39 lone 4 100 - 4 - HB3 ARG 27 - HE2 LYS 39 lone 4 100 - 4 - HB2 ARG 27 - HE2 LYS 39 lone 4 100 - 4 - HB2 ARG 17 - HE3 LYS 39 lone 3 92 - 4 - HB2 ARG 17 - HE2 LYS 39 lone 3 92 - 4 - HB3 ARG 23 - HE2 LYS 13 lone 3 90 - 4 - HB2 ARG 23 - HE2 LYS 13 lone 3 89 - 4 - HB3 ARG 23 - HE3 LYS 13 lone 3 89 - 4 - HB2 ARG 23 - HE3 LYS 13 lone 3 88 - 4 - HB3 PRO 34 - HE2 LYS 73 lone 3 51 - 6 - HB3 PRO 34 - HE3 LYS 73 lone 3 49 - 6 - HB2 ARG 66 - HE3 LYS 39 lone 3 81 - 3 - HB2 ARG 66 - HE2 LYS 39 lone 3 80 - 3 - HB2 ARG 27 - HE2 LYS 75 lone 3 87 - 3 - HB3 ARG 27 - HE2 LYS 75 lone 3 87 - 3 - HB3 PRO 34 - HE2 LYS 75 lone 3 68 - 4 - HB3 ARG 27 - HE3 LYS 75 lone 2 85 - 3 - HB2 ARG 27 - HE3 LYS 75 lone 2 85 - 3 - HB3 PRO 34 - HE3 LYS 75 lone 2 66 - 4 - HB3 ARG 27 - HE3 LYS 32 lone 2 71 - 3 - HB2 ARG 17 - HE2 LYS 73 lone 2 57 - 4 - HB2 ARG 27 - HE3 LYS 32 lone 2 71 - 3 - HB3 ARG 27 - HE2 LYS 32 lone 2 68 - 3 - HB2 ARG 27 - HE2 LYS 32 lone 2 68 - 3 - HB2 ARG 17 - HE3 LYS 73 lone 2 55 - 4 - HB3 PRO 34 - HE2 LYS 13 lone 2 74 - 3 - HB2 ARG 26 - HE3 LYS 32 lone 2 43 - 5 - HB2 ARG 66 - HE3 LYS 32 lone 2 50 - 4 - HB3 PRO 34 - HE3 LYS 13 lone 2 72 - 3 - HB2 ARG 17 - HE3 LYS 32 lone 2 60 - 3 - HB3 ARG 26 - HE3 LYS 32 lone 2 41 - 5 - HB2 ARG 26 - HE2 LYS 32 lone 2 41 - 5 - HB2 ARG 66 - HE2 LYS 32 lone 2 48 - 4 - HB2 ARG 17 - HE2 LYS 32 lone 2 57 - 3 - HB3 ARG 26 - HE2 LYS 32 lone 2 39 - 5 - HB3 ARG 27 - HE2 LYS 13 lone 2 92 - 2 - HB2 ARG 27 - HE2 LYS 13 lone 2 92 - 2 - HB3 ARG 27 - HE3 LYS 13 lone 2 91 - 2 - HB2 ARG 27 - HE3 LYS 13 lone 2 91 - 2 - HB3 ARG 23 - HE2 LYS 73 lone 2 66 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 2 65 - 2 - HB2 ARG 26 - HE3 LYS 39 lone 2 71 - 2 - HB2 ARG 26 - HE2 LYS 39 lone 2 71 - 2 - HB3 ARG 71 - HE2 LYS 13 lone 2 92 - 2 - HB2 ARG 71 - HE2 LYS 13 lone 2 92 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 2 63 - 2 - HB3 ARG 71 - HE3 LYS 13 lone 2 91 - 2 - HB2 ARG 71 - HE3 LYS 13 lone 1 91 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 2 62 - 2 - HB3 ARG 26 - HE3 LYS 39 lone 1 68 - 2 - HB3 ARG 26 - HE2 LYS 39 lone 1 68 - 2 - HB3 ARG 27 - HE2 LYS 73 lone 1 68 - 2 - HB2 ARG 27 - HE2 LYS 73 lone 1 68 - 2 - HB2 ARG 17 - HE2 LYS 75 lone 1 75 - 2 - HB3 ARG 27 - HE3 LYS 73 lone 1 65 - 2 - HB2 ARG 27 - HE3 LYS 73 lone 1 65 - 2 - HB2 ARG 17 - HE3 LYS 75 lone 1 73 - 2 - HB2 ARG 66 - HE2 LYS 75 lone 1 64 - 2 - HB3 ARG 23 - HE3 LYS 32 lone 1 68 - 2 - HB2 ARG 23 - HE3 LYS 32 lone 1 68 - 2 - HB2 ARG 66 - HE3 LYS 75 lone 1 62 - 2 - HB3 ARG 23 - HE2 LYS 32 lone 1 66 - 2 - HB2 ARG 23 - HE2 LYS 32 lone 1 65 - 2 - HB2 ARG 26 - HE2 LYS 73 lone 1 41 - 3 - HB3 ARG 26 - HE2 LYS 73 lone 1 39 - 3 - HB2 ARG 26 - HE3 LYS 73 lone 1 39 - 3 - HB3 ARG 26 - HE3 LYS 73 lone 1 37 - 3 - HB2 ARG 66 - HE2 LYS 73 lone 1 48 - 2 - HB2 ARG 66 - HE2 LYS 13 lone 1 69 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 81 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 79 - 1 - HB2 ARG 66 - HE3 LYS 13 lone 1 68 - 1 - HB2 ARG 66 - HE3 LYS 73 lone 1 46 - 2 - HB2 MET 11 - HE3 LYS 39 lone 1 57 - 1 - HB2 MET 11 - HE2 LYS 39 lone 1 57 - 1 - HB2 ARG 26 - HE2 LYS 13 lone 1 60 - 1 - HB2 ARG 26 - HE3 LYS 13 lone 1 59 - 1 - HB3 ARG 26 - HE2 LYS 13 lone 1 58 - 1 - HB3 ARG 26 - HE3 LYS 13 lone 1 57 - 1 - HB2 ARG 26 - HE2 LYS 75 lone 1 55 - 1 - HB2 ARG 26 - HE3 LYS 75 lone 1 53 - 1 - HB3 ARG 26 - HE2 LYS 75 lone 1 53 - 1 - HB3 ARG 26 - HE3 LYS 75 lone 1 51 - 1 - HB2 MET 11 - HE2 LYS 13 lone 0 48 - 1 - HB2 MET 11 - HE3 LYS 13 lone 0 47 - 1 - HB2 MET 11 - HE2 LYS 75 lone 0 44 - 1 - HB2 MET 11 - HE3 LYS 75 lone 0 42 - 1 - HB2 MET 11 - HE3 LYS 32 lone 0 34 - 1 - HB2 MET 11 - HE2 LYS 32 lone 0 32 - 1 - HB2 MET 11 - HE2 LYS 73 lone 0 32 - 1 - HB2 MET 11 - HE3 LYS 73 lone 0 31 - 1 - Peak 1915 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 3.74 A): 10 out of 160 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 76 100 - 76 - 4.7=51, 2.9/1916=4...(27) HB3 LYS 39 + HE2 LYS 39 OK 76 100 - 76 - 4.7=51, 2.9/1916=4...(27) HB3 LYS 75 + HE2 LYS 75 OK 59 86 - 69 - 5.0=43, 3092/2.9=3...(30) HB2 LYS 13 + HE2 LYS 13 OK 59 90 - 65 - 5.2=37, 1005/2.9=3...(29) HB2 LYS 13 + HE3 LYS 13 OK 58 89 - 65 - 5.2=37, 1005/2.9=3...(29) HB3 LYS 75 + HE3 LYS 75 OK 58 84 - 69 - 5.0=43, 3092/2.9=3...(33) HB2 LYS 32 + HE3 LYS 32 OK 52 67 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 32 + HE3 LYS 32 OK 52 67 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB2 LYS 32 + HE2 LYS 32 OK 50 64 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 32 + HE2 LYS 32 OK 50 64 - 78 - 4.6=55, ~1628=4, ~1638=4...(38) HB3 LYS 73 - HE2 LYS 73 OK 45 67 - 67 - 4.7=51, ~3020=3, ~3010=3...(16) HB3 LYS 73 - HE3 LYS 73 OK 43 64 - 67 - 4.7=51, ~3020=3, ~3010=3...(16) HB3 LYS 39 - HE2 LYS 75 OK 42 87 - 48 - 2.9/1870=3, 2.9/1880=3...(29) HB3 LYS 39 - HE3 LYS 75 OK 41 85 - 48 - 2.9/1870=3, 2.9/1880=3...(29) HB3 LYS 75 - HE3 LYS 39 OK 34 100 - 35 - 1865/3.6=3, 1875/3.6=3...(14) HB3 LYS 75 - HE2 LYS 39 OK 34 100 - 35 - 1865/3.6=3, 1875/3.6=3...(14) HB3 LYS 75 - HE2 LYS 13 OK 34 91 - 37 - 1021/3.8=3, ~3073=2...(13) HB3 LYS 75 - HE3 LYS 13 OK 33 90 - 37 - 1021/3.8=3, ~3073=2...(13) HB3 LYS 73 - HE2 LYS 75 OK 32 86 - 38 - 2.9/6146=1, ~6146=1...(8) HB2 LYS 13 - HE2 LYS 75 OK 32 84 - 38 - 3.0/1027=3, ~1028=2...(7) HB3 LYS 73 - HE3 LYS 75 OK 32 84 - 38 - 2.9/6146=1, ~6146=1...(8) HB2 LYS 13 - HE3 LYS 75 OK 31 82 - 38 - 3.0/1027=3, ~1028=2...(7) HB3 LYS 39 - HE2 LYS 13 OK 29 93 - 31 - 1021/3.8=2, 2.9/1881=2...(9) HB3 LYS 39 - HE3 LYS 13 OK 28 91 - 31 - 1021/3.8=2, 2.9/1881=2...(9) HB3 LYS 32 - HE2 LYS 73 OK 27 64 - 42 - 2.9/1603=2, 2.9/1593=2...(20) HB2 LYS 32 - HE2 LYS 73 OK 27 64 - 42 - 2.9/1603=2, 2.9/1593=2...(20) HB3 LYS 32 - HE3 LYS 73 OK 26 61 - 42 - 2.9/1603=2, 2.9/1593=2...(20) HB2 LYS 32 - HE3 LYS 73 OK 26 61 - 42 - 2.9/1603=2, 2.9/1593=2...(20) HB3 LYS 73 - HE2 LYS 13 OK 23 91 - 26 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE3 LYS 13 OK 23 90 - 25 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE3 LYS 32 OK 20 70 - 29 - 1597/3.9=1, 1587/3.9=1...(4) HB2 ARG 54 - HE3 LYS 39 OK 19 89 - 22 - 2310/3.6=3, 1875/3.6=2...(7) HB2 ARG 54 - HE2 LYS 39 OK 19 88 - 22 - 2310/3.6=3, 1875/3.6=2...(7) HB3 LYS 73 - HE2 LYS 32 OK 19 67 - 29 - 1596/3.9=1, 1587/3.9=1...(4) HB3 LYS 73 - HE3 LYS 39 OK 18 100 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 75 - HE2 LYS 73 OK 18 67 - 28 - 2982/3.7=2, 3.0/3075=1 HB3 LYS 73 - HE2 LYS 39 OK 18 100 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 39 - HE2 LYS 73 OK 18 68 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 32 - HE3 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 18 98 - 18 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 75 - HE3 LYS 73 OK 18 64 - 28 - 2982/3.7=2, 3.0/3075=1 HB3 LYS 39 - HE3 LYS 73 OK 17 65 - 26 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE3 LYS 32 OK 15 71 - 21 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE2 LYS 32 OK 15 68 - 21 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 13 - HE3 LYS 39 OK 15 99 - 15 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 13 - HE2 LYS 39 OK 14 99 - 14 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 75 OK 14 66 - 22 - ~3447=1 HB2 LYS 85 - HE3 LYS 75 OK 14 64 - 22 - ~3447=1 HB2 LYS 32 - HE2 LYS 75 OK 13 83 - 16 - HB3 LYS 32 - HE2 LYS 75 OK 13 83 - 16 - HB3 LYS 32 - HE3 LYS 75 OK 13 81 - 16 - HB2 LYS 32 - HE3 LYS 75 OK 13 81 - 16 - HB2 LYS 85 - HE2 LYS 13 OK 13 71 - 18 - 1021/3.8=2, 1011/5.2=1 HB2 LYS 85 - HE3 LYS 13 OK 12 70 - 18 - 1021/3.8=2, 1011/5.2=1 HB2 PRO 34 - HE3 LYS 39 OK 12 100 - 12 - 1865/3.6=2, 1875/3.6=2...(5) HB2 PRO 34 - HE2 LYS 39 OK 12 100 - 12 - 1865/3.6=2, 1875/3.6=2...(5) HB3 LYS 75 - HE3 LYS 32 OK 10 70 - 15 - HB2 PRO 34 - HE3 LYS 32 OK 10 70 - 15 - ~4863=2, ~5567=2...(4) HB3 LYS 75 - HE2 LYS 32 poor 10 67 - 15 - HB2 PRO 34 - HE2 LYS 32 poor 10 68 - 15 - ~4863=2, ~5567=2...(4) HB3 LYS 32 - HE2 LYS 13 poor 10 88 - 11 - HB2 LYS 32 - HE2 LYS 13 poor 10 88 - 11 - HB2 LYS 32 - HE3 LYS 13 poor 10 87 - 11 - HB3 LYS 32 - HE3 LYS 13 poor 10 87 - 11 - HG2 PRO 34 - HE3 LYS 39 poor 9 76 - 13 - ~5209=1, 2.3/6089=1...(5) HG2 PRO 34 - HE2 LYS 39 poor 9 76 - 13 - ~5209=1, 2.3/6089=1...(5) HB2 ARG 69 - HE2 LYS 75 poor 9 66 - 14 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE3 LYS 75 poor 9 64 - 14 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE2 LYS 73 poor 9 66 - 14 - 3.0/1028=1 HB2 LYS 13 - HE3 LYS 73 poor 9 63 - 14 - 3.0/1028=1 HB2 ARG 54 - HE3 LYS 32 poor 8 57 - 15 - 1596/3.9=2, 1587/3.9=2 HB2 ARG 54 - HE2 LYS 32 poor 8 54 - 15 - 1596/3.9=2, 1587/3.9=2 HG2 PRO 34 - HE3 LYS 32 poor 7 46 - 16 - ~5567=2, 4863/1.8=2...(5) HB2 LYS 85 - HE2 LYS 73 poor 7 50 - 14 - HG2 PRO 34 - HE2 LYS 32 poor 7 44 - 16 - ~5567=2, 4863/1.8=2...(5) HB2 LEU 57 - HE3 LYS 39 lone 7 90 - 7 - 4982/3.6=1 HB ILE 33 - HE2 LYS 13 lone 7 82 - 8 - 1655/3.8=2, 1021/3.8=1 HB2 LYS 85 - HE3 LYS 73 poor 7 47 - 14 - HB2 LEU 57 - HE2 LYS 13 lone 7 79 - 8 - 2438/3.8=1, ~4985=1 HB2 LEU 57 - HE2 LYS 39 lone 7 90 - 7 - 4982/3.6=1 HB ILE 33 - HE3 LYS 13 lone 7 81 - 8 - 1655/3.8=2, 1021/3.8=1 HB2 LEU 57 - HE3 LYS 13 lone 7 78 - 8 - 2438/3.8=1, ~4985=1 HB2 LYS 83 - HE2 LYS 75 lone 6 87 - 7 - HB2 LYS 83 - HE3 LYS 75 lone 6 85 - 7 - HB2 LYS 85 - HE3 LYS 39 lone 5 83 - 6 - HB2 LYS 85 - HE2 LYS 39 lone 5 83 - 6 - HB2 LYS 13 - HE3 LYS 32 lone 5 68 - 7 - HB2 LEU 57 - HE2 LYS 73 lone 5 56 - 9 - 2438/3.7=1, ~4604=1 HB2 LYS 13 - HE2 LYS 32 lone 5 66 - 7 - HB2 LEU 57 - HE3 LYS 73 lone 5 53 - 9 - 2438/3.7=1, ~4604=1 HB ILE 33 - HE3 LYS 32 lone 5 61 - 8 - 4219/3.9=2, 1587/3.9=2 HB2 LEU 57 - HE3 LYS 32 lone 5 58 - 8 - ~4604=1 HB2 ARG 69 - HE3 LYS 39 lone 5 83 - 6 - HB2 ARG 69 - HE2 LYS 39 lone 5 83 - 6 - HB ILE 33 - HE2 LYS 32 lone 5 59 - 8 - 4219/3.9=2, 1587/3.9=2 HB2 LEU 57 - HE2 LYS 32 lone 5 56 - 8 - ~4604=1 HB3 ARG 82 - HE3 LYS 39 lone 5 89 - 5 - HB2 ARG 69 - HE2 LYS 13 lone 5 71 - 6 - 1021/3.8=1 HB3 ARG 82 - HE2 LYS 39 lone 5 88 - 5 - HB2 ARG 69 - HE3 LYS 13 lone 4 70 - 6 - 1021/3.8=1 HB2 LYS 83 - HE3 LYS 39 lone 4 100 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 4 100 - 4 - HB2 LEU 57 - HE2 LYS 75 lone 4 73 - 6 - HB2 LEU 57 - HE3 LYS 75 lone 4 71 - 6 - HB3 ARG 84 - HE2 LYS 73 lone 4 50 - 8 - HB2 LYS 83 - HE2 LYS 13 lone 4 92 - 4 - HB ILE 33 - HE2 LYS 39 lone 4 93 - 4 - HB ILE 33 - HE3 LYS 39 lone 4 93 - 4 - HB2 LYS 83 - HE3 LYS 13 lone 4 91 - 4 - HB3 ARG 84 - HE3 LYS 73 lone 4 47 - 8 - HB2 ARG 69 - HE2 LYS 73 lone 4 50 - 7 - 2797/3.7=2 HB2 ARG 69 - HE3 LYS 73 lone 4 47 - 7 - 2797/3.7=2 HB2 PRO 34 - HE2 LYS 73 lone 3 68 - 5 - HB3 ARG 84 - HE2 LYS 39 lone 3 83 - 4 - HB3 ARG 84 - HE3 LYS 39 lone 3 83 - 4 - HB2 PRO 34 - HE3 LYS 73 lone 3 65 - 5 - HB2 LYS 83 - HE2 LYS 73 lone 3 68 - 4 - HB2 PRO 34 - HE2 LYS 75 lone 3 86 - 3 - HB2 LYS 83 - HE3 LYS 73 lone 3 65 - 4 - HB2 ARG 54 - HE2 LYS 75 lone 3 71 - 4 - HB2 PRO 34 - HE2 LYS 13 lone 3 92 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 84 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 91 - 3 - HB2 ARG 54 - HE3 LYS 75 lone 3 70 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 3 52 - 5 - HG2 PRO 34 - HE2 LYS 73 lone 2 44 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 2 50 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 2 54 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 52 - 4 - HG2 PRO 34 - HE3 LYS 73 lone 2 42 - 5 - HB3 ARG 84 - HE3 LYS 32 lone 2 52 - 4 - HB2 ARG 54 - HE3 LYS 73 lone 2 52 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 2 50 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 2 50 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 2 54 - 4 - HB ILE 33 - HE2 LYS 75 lone 2 76 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 2 59 - 3 - HB ILE 33 - HE3 LYS 75 lone 2 74 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 52 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 2 58 - 3 - HB2 ARG 54 - HE2 LYS 13 lone 2 77 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 2 76 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 2 66 - 3 - HB3 ARG 84 - HE3 LYS 75 lone 2 64 - 3 - HB3 ARG 82 - HE2 LYS 13 lone 2 77 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 2 76 - 2 - HB3 ARG 82 - HE3 LYS 32 lone 2 57 - 3 - HG2 PRO 34 - HE2 LYS 13 lone 2 65 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 1 64 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 1 54 - 3 - HB3 ARG 84 - HE2 LYS 13 lone 1 71 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 71 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 70 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 70 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 1 71 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 1 68 - 2 - HB ILE 33 - HE2 LYS 73 lone 1 59 - 2 - HB ILE 33 - HE3 LYS 73 lone 1 56 - 2 - Peak 1916 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.53 A): 3 out of 80 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 3.6=96, 1869/3.0=10...(22) HG2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 3.6=96, 1869/3.0=10...(22) HG2 LYS 39 + HE2 LYS 75 OK 45 87 - 52 - 1867/3.5=4, 1867/3.5=4...(14) HG2 LYS 39 - HE3 LYS 75 OK 44 85 - 52 - 1867/3.5=4, 1867/3.5=4...(14) HG2 LYS 39 - HE2 LYS 13 OK 28 93 - 30 - 1871=2, 1.8/1881=2...(6) HG2 LYS 39 - HE3 LYS 13 OK 28 91 - 30 - 1871=2, 1871/1.8=2...(6) HB3 ARG 54 - HE3 LYS 39 OK 22 100 - 22 - 1876/3.6=4, 1896/3.0=2...(7) HB3 ARG 54 - HE2 LYS 39 OK 21 100 - 22 - 1876/3.6=4, 1896/3.0=2...(7) HG LEU 64 - HE3 LYS 39 OK 19 99 - 20 - 1876/3.6=4, 1846/4.7=2...(10) HG LEU 64 - HE2 LYS 39 OK 19 99 - 20 - 1876/3.6=4, 1846/4.7=2...(10) HG2 LYS 39 - HE2 LYS 73 OK 19 68 - 27 - 1867/3.7=2, 1870=2...(6) HG2 LYS 39 - HE3 LYS 73 OK 18 65 - 27 - 1867/3.7=2, 1870=2...(6) HG2 LYS 39 - HE3 LYS 32 OK 16 71 - 23 - 1870=1, 1.8/1880=1, 1870/1.8=1 HG2 LYS 39 - HE2 LYS 32 OK 16 68 - 23 - 1870=1, 1870/1.8=1, 1.8/1880=1 HB3 ARG 54 - HE3 LYS 32 OK 13 71 - 19 - 2319/3.9=3, 2319/3.9=2...(4) HB3 ARG 54 - HE2 LYS 32 OK 13 68 - 19 - 2319/3.9=3, 2319/3.9=2...(4) HB3 LEU 86 - HE3 LYS 39 OK 10 92 - 11 - 1876/3.6=2, 1896/3.0=1 HB3 LEU 86 - HE2 LYS 39 OK 10 92 - 11 - 1876/3.6=2, 1896/3.0=1 HG3 ARG 54 - HE3 LYS 39 poor 9 63 - 14 - 1876/3.6=2 HG3 ARG 54 - HE2 LYS 39 poor 9 63 - 14 - 1876/3.6=2 HG3 ARG 23 - HE3 LYS 39 lone 8 99 - 8 - 1876/3.6=2 HG3 ARG 23 - HE2 LYS 39 lone 8 99 - 8 - 1876/3.6=2 HG LEU 62 - HE3 LYS 39 lone 7 87 - 8 - 1876/3.6=1 HG LEU 62 - HE2 LYS 39 lone 7 87 - 8 - 1876/3.6=1 HG3 ARG 54 - HE3 LYS 32 poor 5 37 - 13 - HG3 ARG 54 - HE2 LYS 32 poor 5 36 - 13 - HG3 ARG 23 - HE2 LYS 75 lone 4 84 - 4 - HG3 ARG 23 - HE3 LYS 75 lone 4 82 - 4 - HG2 ARG 82 - HE3 LYS 39 lone 3 83 - 4 - HG LEU 64 - HE2 LYS 13 lone 3 89 - 4 - HG LEU 64 - HE3 LYS 13 lone 3 88 - 4 - HG LEU 64 - HE2 LYS 75 lone 3 83 - 4 - HG2 ARG 82 - HE2 LYS 39 lone 3 83 - 4 - HB3 ARG 54 - HE2 LYS 75 lone 3 87 - 4 - HG LEU 64 - HE3 LYS 75 lone 3 81 - 4 - HB3 ARG 54 - HE3 LYS 75 lone 3 85 - 4 - HB3 ARG 54 - HE2 LYS 73 lone 3 68 - 4 - HB3 ARG 54 - HE3 LYS 73 lone 3 65 - 4 - HG3 ARG 23 - HE2 LYS 13 lone 2 90 - 2 - HG3 ARG 23 - HE3 LYS 13 lone 2 89 - 2 - HG LEU 64 - HE3 LYS 32 lone 2 68 - 3 - HG LEU 64 - HE2 LYS 32 lone 2 65 - 3 - HG LEU 62 - HE3 LYS 32 lone 2 55 - 3 - HG LEU 62 - HE2 LYS 73 lone 2 53 - 3 - HG LEU 62 - HE2 LYS 32 lone 2 53 - 3 - HG LEU 62 - HE3 LYS 73 lone 2 50 - 3 - HB3 ARG 54 - HE2 LYS 13 lone 2 93 - 2 - HB3 ARG 54 - HE3 LYS 13 lone 2 91 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 2 81 - 2 - HB3 LEU 86 - HE2 LYS 73 lone 2 57 - 3 - HB3 LEU 86 - HE2 LYS 75 lone 2 75 - 2 - HB3 LEU 86 - HE3 LYS 13 lone 2 79 - 2 - HB3 LEU 86 - HE3 LYS 75 lone 1 73 - 2 - HB3 LEU 86 - HE3 LYS 73 lone 1 55 - 3 - HG LEU 62 - HE2 LYS 75 lone 1 70 - 2 - HG LEU 62 - HE2 LYS 13 lone 1 76 - 2 - HG LEU 64 - HE2 LYS 73 lone 1 65 - 2 - HG2 ARG 82 - HE2 LYS 73 lone 1 50 - 3 - HG LEU 62 - HE3 LYS 13 lone 1 74 - 2 - HG LEU 62 - HE3 LYS 75 lone 1 68 - 2 - HG LEU 64 - HE3 LYS 73 lone 1 62 - 2 - HG2 ARG 82 - HE3 LYS 73 lone 1 47 - 3 - HB3 LEU 86 - HE3 LYS 32 lone 1 60 - 2 - HB3 LEU 86 - HE2 LYS 32 lone 1 57 - 2 - HG3 ARG 23 - HE2 LYS 73 lone 1 66 - 2 - HG3 ARG 23 - HE3 LYS 73 lone 1 63 - 2 - HG2 ARG 82 - HE3 LYS 32 lone 1 52 - 2 - HG2 ARG 82 - HE2 LYS 32 lone 1 50 - 2 - HG3 ARG 54 - HE2 LYS 73 lone 1 36 - 3 - HG3 ARG 54 - HE2 LYS 75 lone 1 48 - 2 - HG3 ARG 54 - HE3 LYS 73 lone 1 34 - 3 - HG3 ARG 23 - HE3 LYS 32 lone 1 68 - 1 - HG2 ARG 82 - HE2 LYS 13 lone 1 71 - 1 - HG3 ARG 54 - HE3 LYS 75 lone 1 47 - 2 - HG2 ARG 82 - HE2 LYS 75 lone 1 66 - 1 - HG2 ARG 82 - HE3 LYS 13 lone 1 70 - 1 - HG3 ARG 23 - HE2 LYS 32 lone 1 66 - 1 - HG2 ARG 82 - HE3 LYS 75 lone 1 64 - 1 - HG3 ARG 54 - HE2 LYS 13 lone 1 53 - 1 - HG3 ARG 54 - HE3 LYS 13 lone 1 52 - 1 - Peak 1917 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.09 A): 8 out of 120 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 81 100 - 81 - 3.6=65, 1879/3.0=7...(14) HG3 LYS 39 + HE2 LYS 39 OK 81 100 - 81 - 3.6=65, 1879/3.0=7...(14) HG3 LYS 75 + HE2 LYS 75 OK 61 75 - 81 - 3.5=70, 2.9/1047=2...(22) HG2 LYS 75 + HE2 LYS 75 OK 61 75 - 81 - 3.5=70, 2.9/1047=2...(22) HG2 LYS 75 + HE3 LYS 75 OK 59 73 - 81 - 3.5=70, 2.9/1047=2...(22) HG3 LYS 75 + HE3 LYS 75 OK 59 73 - 81 - 3.5=70, 2.9/1047=2...(22) HG2 LYS 13 + HE2 LYS 13 OK 53 74 - 72 - 3.8=54, 1053/2.9=4...(24) HG2 LYS 13 + HE3 LYS 13 OK 52 72 - 72 - 3.8=54, 1053/2.9=4...(22) HG3 LYS 73 - HE2 LYS 73 OK 37 54 - 68 - 3.7=58, 2999/6.1=1 HG3 LYS 73 - HE3 LYS 73 OK 35 52 - 68 - 3.7=58, 2999/6.1=1 HG3 LYS 39 - HE2 LYS 75 OK 31 87 - 37 - 1880=2, 1.8/1870=2...(11) HG3 LYS 39 - HE3 LYS 75 OK 31 85 - 37 - 1880=2, 1.8/1870=2...(11) HG3 LYS 75 - HE3 LYS 39 OK 26 92 - 29 - 1867/3.6=3, 1837/6.2=1...(5) HG2 LYS 75 - HE3 LYS 39 OK 26 92 - 29 - 1867/3.6=3, 1837/6.2=1...(5) HG3 LYS 75 - HE2 LYS 39 OK 26 92 - 28 - 1867/3.6=3, 1837/6.2=1...(5) HG2 LYS 75 - HE2 LYS 39 OK 26 92 - 28 - 1867/3.6=3, 1837/6.2=1...(5) HG3 LYS 75 - HE2 LYS 13 OK 22 81 - 27 - 3112/2.9=1, 3113/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 22 81 - 27 - 3112/2.9=1, 3113/2.9=1 HG3 LYS 75 - HE3 LYS 13 OK 21 79 - 27 - 3102/2.9=1, 3112/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 21 79 - 27 - 3102/2.9=1, 3112/2.9=1 HG3 LYS 39 - HE2 LYS 13 OK 21 93 - 22 - 1881=2, 1881/1.8=2...(5) HG3 LYS 39 - HE3 LYS 13 OK 20 91 - 22 - 1881=2, 1881/1.8=2...(5) HG3 LYS 73 - HE2 LYS 75 OK 20 71 - 28 - HG2 LYS 13 - HE2 LYS 75 OK 20 68 - 29 - 1028/1.8=2, 1027=2...(6) HG3 LYS 73 - HE3 LYS 75 OK 19 70 - 28 - HG2 LYS 13 - HE3 LYS 75 OK 19 66 - 29 - 1028/1.8=2, 1027=2...(6) HG3 LYS 39 - HE2 LYS 73 OK 13 68 - 20 - 1880=1, 1.8/1870=1...(4) HG3 LYS 75 - HE2 LYS 73 OK 13 57 - 23 - HG2 LYS 75 - HE2 LYS 73 OK 13 57 - 23 - HG3 LYS 39 - HE3 LYS 73 OK 13 65 - 20 - 1880/1.8=1, 1880=1...(4) HG2 LYS 75 - HE3 LYS 73 OK 13 55 - 24 - HG3 LYS 75 - HE3 LYS 73 OK 13 55 - 24 - HG3 LYS 73 - HE2 LYS 13 OK 13 77 - 16 - HG3 LYS 73 - HE3 LYS 13 OK 12 76 - 16 - HG3 LYS 39 - HE3 LYS 32 OK 12 71 - 16 - HG3 LYS 73 - HE3 LYS 39 OK 11 89 - 13 - 1867/3.6=1 HG3 LYS 39 - HE2 LYS 32 OK 11 68 - 16 - HG3 LYS 73 - HE2 LYS 39 OK 11 88 - 12 - 1867/3.6=1 HG3 LYS 73 - HE3 LYS 32 OK 11 57 - 20 - HG3 LYS 73 - HE2 LYS 32 OK 10 54 - 20 - HG2 LYS 13 - HE3 LYS 39 poor 9 85 - 11 - 1867/3.6=1 HG2 LYS 13 - HE2 LYS 39 poor 9 85 - 11 - 1867/3.6=1 HB3 ARG 69 - HE2 LYS 75 poor 8 82 - 10 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 poor 8 80 - 10 - 2802/5.0=1 HG3 LYS 75 - HE3 LYS 32 poor 7 60 - 12 - HG2 LYS 75 - HE3 LYS 32 poor 7 60 - 12 - HG2 LYS 75 - HE2 LYS 32 poor 7 57 - 12 - HG3 LYS 75 - HE2 LYS 32 poor 7 57 - 12 - HG2 LYS 85 - HE2 LYS 75 poor 6 50 - 12 - HG2 LYS 85 - HE3 LYS 75 poor 6 49 - 12 - HG2 LYS 13 - HE2 LYS 73 poor 5 51 - 11 - HG2 LYS 13 - HE3 LYS 73 poor 5 49 - 11 - HG2 LYS 85 - HE2 LYS 13 lone 5 55 - 9 - HG2 LYS 85 - HE3 LYS 13 lone 5 54 - 9 - HB3 ARG 69 - HE3 LYS 39 lone 4 97 - 5 - HB3 ARG 69 - HE2 LYS 39 lone 4 97 - 5 - HB3 ARG 69 - HE2 LYS 73 lone 4 63 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 4 61 - 7 - 2802/4.7=1 HG2 LYS 85 - HE2 LYS 73 poor 4 37 - 11 - HG3 ARG 69 - HE2 LYS 75 lone 4 48 - 8 - HG2 LYS 85 - HE3 LYS 73 poor 4 36 - 11 - HG3 ARG 69 - HE3 LYS 75 lone 4 47 - 8 - QB ALA 53 - HE3 LYS 39 lone 4 96 - 4 - QB ALA 53 - HE2 LYS 39 lone 3 95 - 4 - HG2 LYS 13 - HE3 LYS 32 lone 3 53 - 6 - HG2 LYS 13 - HE2 LYS 32 lone 3 51 - 6 - HB3 ARG 69 - HE2 LYS 13 lone 3 87 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 86 - 3 - HB3 ARG 69 - HE3 LYS 32 lone 2 66 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 2 63 - 4 - HG2 LYS 85 - HE3 LYS 39 lone 2 65 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 2 65 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 63 - 3 - HG3 ARG 69 - HE2 LYS 39 lone 2 63 - 3 - QB ALA 78 - HE2 LYS 75 lone 2 71 - 2 - QB ALA 78 - HE3 LYS 75 lone 2 70 - 2 - HG3 ARG 69 - HE2 LYS 73 lone 2 36 - 5 - QB ALA 77 - HE2 LYS 75 lone 2 46 - 4 - HG3 ARG 69 - HE3 LYS 73 lone 2 34 - 5 - QB ALA 53 - HE2 LYS 73 lone 2 61 - 3 - QB ALA 77 - HE3 LYS 75 lone 2 45 - 4 - QB ALA 53 - HE3 LYS 73 lone 2 58 - 3 - QB ALA 78 - HE3 LYS 39 lone 1 89 - 2 - QB ALA 78 - HE2 LYS 39 lone 1 88 - 2 - HG2 LYS 85 - HE3 LYS 32 lone 1 39 - 3 - QB ALA 78 - HE2 LYS 73 lone 1 54 - 2 - HG2 LYS 85 - HE2 LYS 32 lone 1 37 - 3 - QB ALA 78 - HE3 LYS 73 lone 1 52 - 2 - HG3 ARG 69 - HE2 LYS 13 lone 1 53 - 2 - QB ALA 53 - HE2 LYS 75 lone 1 79 - 1 - HG3 ARG 69 - HE3 LYS 13 lone 1 52 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 77 - 1 - QB ALA 53 - HE3 LYS 32 lone 1 63 - 2 - QB ALA 53 - HE2 LYS 32 lone 1 61 - 2 - HG3 ARG 69 - HE3 LYS 32 lone 1 37 - 3 - HG3 ARG 69 - HE2 LYS 32 lone 1 36 - 3 - QB ALA 77 - HE3 LYS 39 lone 1 60 - 1 - QB ALA 77 - HE2 LYS 39 lone 1 60 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 77 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 76 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 50 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 65 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 65 - 1 - QB ALA 20 - HE3 LYS 75 lone 1 49 - 1 - QB ALA 53 - HE2 LYS 13 lone 0 85 - 1 - QB ALA 53 - HE3 LYS 13 lone 0 84 - 1 - QB ALA 77 - HE2 LYS 73 lone 1 34 - 2 - QB ALA 78 - HE3 LYS 32 lone 0 57 - 1 - QB ALA 77 - HE3 LYS 73 lone 0 32 - 1 - QB ALA 77 - HE2 LYS 13 lone 0 50 - 1 - QB ALA 78 - HE2 LYS 32 lone 0 54 - 1 - QB ALA 77 - HE3 LYS 13 lone 0 49 - 1 - QB ALA 20 - HE2 LYS 13 lone 0 55 - 0 - QB ALA 20 - HE3 LYS 13 lone 0 54 - 0 - QB ALA 20 - HE2 LYS 73 lone 0 37 - 1 - QB ALA 77 - HE3 LYS 32 lone 0 35 - 1 - QB ALA 20 - HE3 LYS 73 lone 0 36 - 1 - QB ALA 77 - HE2 LYS 32 lone 0 34 - 1 - QB ALA 20 - HE3 LYS 32 lone 0 39 - 1 - QB ALA 20 - HE2 LYS 32 lone 0 37 - 1 - Peak 1918 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 4 out of 160 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 - HE3 LYS 32 OK 39 39 - 100 - 3.0=100 HD2 LYS 32 - HE2 LYS 32 OK 37 37 - 100 - 3.0=100 HD3 LYS 73 - HE2 LYS 73 OK 37 37 - 100 - 3.0=100 HD2 LYS 73 - HE2 LYS 73 OK 37 37 - 100 - 3.0=100 HD3 LYS 73 - HE3 LYS 73 OK 36 36 - 100 - 3.0=100 HD2 LYS 73 - HE3 LYS 73 OK 36 36 - 100 - 3.0=100 HD3 LYS 32 - HE3 LYS 32 OK 35 35 - 100 - 3.0=100 HD3 LYS 32 - HE2 LYS 32 OK 34 34 - 100 - 3.0=100 HB3 LEU 51 - HE3 LYS 39 OK 24 90 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HB3 LEU 51 - HE2 LYS 39 OK 24 90 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HD3 LYS 39 - HE2 LYS 75 OK 23 87 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE2 LYS 75 OK 23 87 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE3 LYS 75 OK 23 85 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE3 LYS 75 OK 22 85 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE2 LYS 13 OK 14 92 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE2 LYS 13 OK 14 93 - 15 - 3.0/1881=1, 3.0/1871=1 HD3 LYS 39 - HE3 LYS 13 OK 14 91 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE3 LYS 13 OK 14 91 - 15 - 3.0/1881=1, 3.0/1871=1 HG3 ARG 54 - HE3 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HG3 ARG 54 - HE2 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HD3 LYS 73 - HE2 LYS 75 OK 12 50 - 23 - HD2 LYS 73 - HE2 LYS 75 OK 12 50 - 23 - HD3 LYS 73 - HE3 LYS 75 OK 11 49 - 23 - HD2 LYS 73 - HE3 LYS 75 OK 11 49 - 23 - HD2 LYS 32 - HE2 LYS 73 poor 10 37 - 26 - 3.0/1603=1, 3.0/1593=1...(8) HD2 LYS 32 - HE3 LYS 73 poor 9 36 - 26 - 3.0/1603=1, 3.0/1593=1...(8) HD3 LYS 32 - HE2 LYS 73 poor 9 34 - 27 - 3.0/1603=1, 3.0/1593=1...(8) HD3 LYS 39 - HE2 LYS 73 poor 8 68 - 12 - HD3 LYS 32 - HE3 LYS 73 poor 8 32 - 27 - 3.0/1603=1, 3.0/1593=1...(8) HD2 LYS 39 - HE2 LYS 73 poor 8 68 - 12 - HG LEU 86 - HE3 LYS 39 lone 8 92 - 9 - 1869/3.6=1 HG LEU 86 - HE2 LYS 39 lone 8 92 - 9 - 1869/3.6=1 HD3 LYS 39 - HE3 LYS 73 poor 8 65 - 12 - HD2 LYS 39 - HE3 LYS 73 poor 8 65 - 12 - HD2 LYS 73 - HE2 LYS 13 poor 8 55 - 14 - HD3 LYS 73 - HE2 LYS 13 poor 8 55 - 14 - HG3 ARG 54 - HE3 LYS 32 poor 8 68 - 11 - 2335/3.9=1, 2335/3.9=1 HD3 LYS 39 - HE3 LYS 32 poor 8 71 - 11 - HD2 LYS 39 - HE3 LYS 32 poor 8 71 - 10 - HD2 LYS 73 - HE3 LYS 13 poor 7 54 - 14 - HD3 LYS 73 - HE3 LYS 13 poor 7 54 - 14 - HD3 LYS 39 - HE2 LYS 32 poor 7 68 - 11 - HG3 ARG 54 - HE2 LYS 32 poor 7 66 - 11 - 2335/3.9=1, 2335/3.9=1 HD2 LYS 39 - HE2 LYS 32 poor 7 68 - 11 - HD2 LYS 32 - HE3 LYS 39 poor 7 65 - 11 - HD2 LYS 32 - HE2 LYS 39 poor 7 65 - 11 - HD2 LYS 73 - HE3 LYS 39 poor 7 65 - 10 - HD3 LYS 73 - HE3 LYS 39 poor 7 65 - 10 - HD3 LYS 73 - HE2 LYS 39 poor 7 65 - 10 - HD2 LYS 73 - HE2 LYS 39 poor 7 65 - 10 - HD3 LYS 32 - HE3 LYS 39 poor 7 60 - 11 - HD3 LYS 32 - HE2 LYS 39 poor 6 60 - 11 - HB3 LEU 62 - HE3 LYS 39 lone 6 100 - 6 - HB3 LEU 62 - HE2 LYS 39 lone 6 100 - 6 - HD2 LYS 73 - HE3 LYS 32 poor 6 39 - 16 - 1608/3.9=1 HD3 LYS 73 - HE3 LYS 32 poor 6 39 - 16 - 1608/3.9=1 HB3 LEU 51 - HE3 LYS 32 poor 6 58 - 11 - 2225/3.9=2, 3.1/6088=1 HB3 LEU 86 - HE3 LYS 39 lone 6 83 - 7 - HB3 LEU 86 - HE2 LYS 39 lone 6 83 - 7 - HD2 LYS 32 - HE2 LYS 75 poor 6 50 - 12 - HD3 LYS 73 - HE2 LYS 32 poor 6 37 - 16 - 1608/3.9=1 HD2 LYS 73 - HE2 LYS 32 poor 6 37 - 16 - 1608/3.9=1 HB3 LEU 51 - HE2 LYS 32 poor 6 56 - 11 - 2225/3.9=2, 3.1/6088=1 HD2 LYS 32 - HE3 LYS 75 poor 6 49 - 12 - HD3 LYS 32 - HE2 LYS 75 poor 6 46 - 12 - HD3 LYS 32 - HE3 LYS 75 poor 5 45 - 12 - HB3 LEU 29 - HE2 LYS 13 lone 5 92 - 5 - HB3 LEU 29 - HE3 LYS 13 lone 5 91 - 5 - HB3 LEU 29 - HE3 LYS 39 lone 5 100 - 5 - HB3 LEU 29 - HE2 LYS 39 lone 5 100 - 5 - HG LEU 62 - HE3 LYS 39 lone 5 89 - 5 - HG LEU 62 - HE2 LYS 39 lone 5 88 - 5 - HB3 LEU 51 - HE2 LYS 75 lone 4 73 - 6 - 3.1/6088=1 HB3 LEU 51 - HE3 LYS 75 lone 4 71 - 6 - HB3 LEU 29 - HE2 LYS 75 lone 4 86 - 5 - HB3 LEU 29 - HE3 LYS 75 lone 4 84 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 55 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 4 54 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 3 50 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 3 49 - 7 - HB3 LEU 51 - HE2 LYS 73 lone 3 56 - 5 - HG2 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HG3 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 53 - 5 - HG3 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 39 lone 3 97 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 3 63 - 4 - HG2 ARG 84 - HE2 LYS 73 lone 3 63 - 4 - HG3 ARG 84 - HE3 LYS 73 lone 2 61 - 4 - HG2 ARG 84 - HE3 LYS 73 lone 2 61 - 4 - HB3 LEU 51 - HE2 LYS 13 lone 2 79 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 2 78 - 3 - HB3 LEU 29 - HE2 LYS 73 lone 2 68 - 3 - HB3 LEU 29 - HE3 LYS 73 lone 2 65 - 3 - HB3 LEU 62 - HE2 LYS 73 lone 2 67 - 3 - HB3 LEU 29 - HE3 LYS 32 lone 2 70 - 3 - HB3 LEU 62 - HE3 LYS 32 lone 2 70 - 2 - HB3 LEU 62 - HE3 LYS 73 lone 2 64 - 3 - HB3 LEU 29 - HE2 LYS 32 lone 2 68 - 3 - HG2 ARG 84 - HE3 LYS 32 lone 2 66 - 3 - HG3 ARG 84 - HE3 LYS 32 lone 2 66 - 3 - HB3 LEU 62 - HE2 LYS 32 lone 2 67 - 2 - HG3 ARG 54 - HE2 LYS 73 lone 2 66 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 63 - 3 - HG3 ARG 84 - HE2 LYS 32 lone 2 63 - 3 - HG3 ARG 54 - HE3 LYS 73 lone 2 63 - 2 - HG3 ARG 54 - HE2 LYS 75 lone 1 84 - 2 - HB3 LEU 62 - HE2 LYS 13 lone 1 91 - 2 - HG3 ARG 54 - HE3 LYS 75 lone 1 82 - 2 - HB3 LEU 62 - HE3 LYS 13 lone 1 90 - 2 - HB3 LEU 62 - HE2 LYS 75 lone 1 86 - 2 - HB3 LEU 62 - HE3 LYS 75 lone 1 84 - 2 - HG LEU 62 - HE3 LYS 32 lone 1 57 - 2 - HG LEU 86 - HE2 LYS 75 lone 1 75 - 2 - HG LEU 86 - HE2 LYS 13 lone 1 81 - 1 - HG LEU 62 - HE2 LYS 32 lone 1 54 - 2 - HG LEU 86 - HE3 LYS 13 lone 1 79 - 1 - HG LEU 62 - HE2 LYS 73 lone 1 54 - 2 - HG LEU 86 - HE3 LYS 75 lone 1 73 - 2 - HG LEU 86 - HE2 LYS 73 lone 1 57 - 2 - HG LEU 62 - HE3 LYS 73 lone 1 52 - 2 - HG LEU 86 - HE3 LYS 73 lone 1 55 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 1 71 - 2 - HB3 LEU 86 - HE3 LYS 13 lone 1 70 - 2 - HG3 ARG 54 - HE2 LYS 13 lone 1 90 - 1 - HB3 LEU 86 - HE2 LYS 75 lone 1 66 - 2 - HG3 ARG 54 - HE3 LYS 13 lone 1 89 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 82 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 82 - 1 - HB3 LEU 86 - HE2 LYS 73 lone 1 50 - 2 - HG3 ARG 84 - HE3 LYS 75 lone 1 80 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 80 - 1 - HB3 LEU 86 - HE3 LYS 75 lone 1 64 - 2 - HG LEU 86 - HE3 LYS 32 lone 1 60 - 2 - HB3 LEU 86 - HE3 LYS 73 lone 1 47 - 2 - HG LEU 62 - HE2 LYS 13 lone 1 77 - 1 - HG LEU 62 - HE3 LYS 13 lone 1 76 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 57 - 2 - HG LEU 62 - HE2 LYS 75 lone 1 71 - 1 - HG3 ARG 70 - HE3 LYS 32 lone 1 35 - 2 - HG LEU 62 - HE3 LYS 75 lone 1 70 - 1 - HB3 LEU 86 - HE3 LYS 32 lone 1 52 - 2 - HG3 ARG 70 - HE2 LYS 32 lone 1 34 - 2 - HB3 LEU 86 - HE2 LYS 32 lone 1 50 - 2 - HG3 ARG 84 - HE2 LYS 13 lone 1 87 - 1 - HG2 ARG 84 - HE2 LYS 13 lone 1 87 - 1 - HG2 ARG 84 - HE3 LYS 13 lone 1 86 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 1 86 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 34 - 2 - HG3 ARG 70 - HE3 LYS 73 lone 1 32 - 2 - HG3 ARG 70 - HE2 LYS 39 lone 0 60 - 1 - HG3 ARG 70 - HE3 LYS 39 lone 0 60 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 0 46 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 0 45 - 1 - HG3 ARG 70 - HE2 LYS 13 lone 0 50 - 1 - HG3 ARG 70 - HE3 LYS 13 lone 0 49 - 1 - Peak 1919 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 4 out of 140 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 32 - HE3 LYS 32 OK 37 37 - 100 - 3.0=100 HD2 LYS 73 - HE2 LYS 73 OK 36 36 - 100 - 3.0=100 HD2 LYS 32 - HE2 LYS 32 OK 36 36 - 100 - 3.0=100 HD3 LYS 73 - HE2 LYS 73 OK 36 36 - 100 - 3.0=100 HD3 LYS 73 - HE3 LYS 73 OK 34 34 - 100 - 3.0=100 HD2 LYS 73 - HE3 LYS 73 OK 34 34 - 100 - 3.0=100 HB3 LEU 51 - HE3 LYS 39 OK 23 89 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HB3 LEU 51 - HE2 LYS 39 OK 23 88 - 26 - 3.1/6088=4, 3.1/4948=3...(8) HD3 LYS 39 - HE2 LYS 75 OK 23 87 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE2 LYS 75 OK 23 87 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE3 LYS 75 OK 23 85 - 27 - 3.0/1870=2, 3.0/1880=2...(8) HD2 LYS 39 - HE3 LYS 75 OK 22 85 - 27 - 3.0/1870=2, 3.0/1880=2...(6) HD3 LYS 39 - HE2 LYS 13 OK 14 93 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE2 LYS 13 OK 14 92 - 15 - 3.0/1881=1, 3.0/1871=1 HD3 LYS 39 - HE3 LYS 13 OK 14 91 - 15 - 3.0/1881=1, 3.0/1871=1 HD2 LYS 39 - HE3 LYS 13 OK 14 91 - 15 - 3.0/1881=1, 3.0/1871=1 HG3 ARG 54 - HE3 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HG3 ARG 54 - HE2 LYS 39 OK 13 99 - 13 - 1869/3.6=2, 1879/3.6=2 HD2 LYS 73 - HE2 LYS 75 OK 11 48 - 23 - HD3 LYS 73 - HE2 LYS 75 OK 11 48 - 23 - HD2 LYS 73 - HE3 LYS 75 OK 11 47 - 23 - HD3 LYS 73 - HE3 LYS 75 OK 11 47 - 23 - HD2 LYS 32 - HE2 LYS 73 poor 9 36 - 26 - 3.0/1603=1, 3.0/1593=1...(8) HD2 LYS 32 - HE3 LYS 73 poor 9 34 - 26 - 3.0/1603=1, 3.0/1593=1...(8) HD3 LYS 39 - HE2 LYS 73 poor 8 68 - 12 - HD2 LYS 39 - HE2 LYS 73 poor 8 68 - 12 - HD3 LYS 39 - HE3 LYS 73 poor 8 65 - 12 - HG LEU 86 - HE3 LYS 39 lone 8 90 - 9 - 1869/3.6=1 HG LEU 86 - HE2 LYS 39 lone 8 90 - 9 - 1869/3.6=1 HD2 LYS 39 - HE3 LYS 73 poor 8 65 - 12 - HG3 ARG 54 - HE3 LYS 32 poor 8 69 - 11 - 2335/3.9=1, 2335/3.9=1 HD3 LYS 39 - HE3 LYS 32 poor 8 71 - 11 - HD2 LYS 39 - HE3 LYS 32 poor 7 71 - 10 - HG3 ARG 54 - HE2 LYS 32 poor 7 66 - 11 - 2335/3.9=1, 2335/3.9=1 HD2 LYS 73 - HE2 LYS 13 poor 7 53 - 14 - HD3 LYS 73 - HE2 LYS 13 poor 7 53 - 14 - HD3 LYS 39 - HE2 LYS 32 poor 7 68 - 11 - HD2 LYS 39 - HE2 LYS 32 poor 7 68 - 10 - HD2 LYS 73 - HE3 LYS 13 poor 7 52 - 14 - HD3 LYS 73 - HE3 LYS 13 poor 7 52 - 14 - HD2 LYS 32 - HE3 LYS 39 poor 7 63 - 11 - HD2 LYS 32 - HE2 LYS 39 poor 7 63 - 11 - HD2 LYS 73 - HE3 LYS 39 poor 7 63 - 10 - HD3 LYS 73 - HE3 LYS 39 poor 7 63 - 10 - HD3 LYS 73 - HE2 LYS 39 poor 6 63 - 10 - HD2 LYS 73 - HE2 LYS 39 poor 6 63 - 10 - HB3 LEU 86 - HE3 LYS 39 lone 6 85 - 7 - HB3 LEU 62 - HE3 LYS 39 lone 6 99 - 6 - HB3 LEU 86 - HE2 LYS 39 lone 6 85 - 7 - HB3 LEU 62 - HE2 LYS 39 lone 6 99 - 6 - HB3 LEU 51 - HE3 LYS 32 poor 6 57 - 11 - 2225/3.9=2, 3.1/6088=1 HD3 LYS 73 - HE3 LYS 32 poor 6 37 - 16 - HD2 LYS 73 - HE3 LYS 32 poor 6 37 - 16 - HD2 LYS 32 - HE2 LYS 75 poor 6 48 - 12 - HB3 LEU 51 - HE2 LYS 32 poor 6 54 - 11 - 2225/3.9=2, 3.1/6088=1 HD2 LYS 73 - HE2 LYS 32 poor 6 36 - 16 - HD3 LYS 73 - HE2 LYS 32 poor 6 36 - 16 - HD2 LYS 32 - HE3 LYS 75 poor 6 47 - 12 - HB3 LEU 29 - HE2 LYS 13 lone 5 92 - 5 - HG LEU 62 - HE3 LYS 39 lone 5 90 - 5 - HG LEU 62 - HE2 LYS 39 lone 5 90 - 5 - HB3 LEU 29 - HE3 LYS 13 lone 5 91 - 5 - HB3 LEU 29 - HE3 LYS 39 lone 5 100 - 5 - HB3 LEU 29 - HE2 LYS 39 lone 5 100 - 5 - HB3 LEU 51 - HE2 LYS 75 lone 4 71 - 6 - 3.1/6088=1 HB3 LEU 51 - HE3 LYS 75 lone 4 70 - 6 - HB3 LEU 29 - HE2 LYS 75 lone 4 87 - 5 - HB3 LEU 29 - HE3 LYS 75 lone 4 85 - 5 - HD2 LYS 32 - HE2 LYS 13 lone 4 53 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 3 52 - 6 - HB3 LEU 51 - HE2 LYS 73 lone 3 54 - 5 - HG3 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE3 LYS 39 lone 3 97 - 3 - HG2 ARG 84 - HE2 LYS 39 lone 3 96 - 3 - HG3 ARG 84 - HE2 LYS 39 lone 3 96 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 52 - 5 - HG3 ARG 84 - HE2 LYS 73 lone 3 62 - 4 - HG2 ARG 84 - HE2 LYS 73 lone 3 62 - 4 - HG2 ARG 84 - HE3 LYS 73 lone 2 60 - 4 - HG3 ARG 84 - HE3 LYS 73 lone 2 60 - 4 - HB3 LEU 51 - HE2 LYS 13 lone 2 77 - 3 - HB3 LEU 51 - HE3 LYS 13 lone 2 76 - 3 - HB3 LEU 29 - HE2 LYS 73 lone 2 68 - 3 - HB3 LEU 29 - HE3 LYS 73 lone 2 65 - 3 - HB3 LEU 29 - HE3 LYS 32 lone 2 71 - 3 - HB3 LEU 62 - HE2 LYS 73 lone 2 66 - 3 - HB3 LEU 29 - HE2 LYS 32 lone 2 68 - 3 - HB3 LEU 62 - HE3 LYS 32 lone 2 69 - 2 - HB3 LEU 62 - HE3 LYS 73 lone 2 64 - 3 - HG3 ARG 84 - HE3 LYS 32 lone 2 65 - 3 - HG2 ARG 84 - HE3 LYS 32 lone 2 65 - 3 - HG3 ARG 54 - HE2 LYS 73 lone 2 66 - 2 - HB3 LEU 62 - HE2 LYS 32 lone 2 66 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 62 - 3 - HG3 ARG 84 - HE2 LYS 32 lone 2 62 - 3 - HG3 ARG 54 - HE3 LYS 73 lone 2 64 - 2 - HG3 ARG 54 - HE2 LYS 75 lone 2 85 - 2 - HB3 LEU 62 - HE2 LYS 13 lone 1 91 - 2 - HG3 ARG 54 - HE3 LYS 75 lone 1 83 - 2 - HB3 LEU 62 - HE3 LYS 13 lone 1 89 - 2 - HG LEU 62 - HE3 LYS 32 lone 1 58 - 2 - HB3 LEU 62 - HE2 LYS 75 lone 1 85 - 2 - HB3 LEU 62 - HE3 LYS 75 lone 1 83 - 2 - HG LEU 62 - HE2 LYS 32 lone 1 56 - 2 - HG LEU 62 - HE2 LYS 73 lone 1 56 - 2 - HG LEU 86 - HE2 LYS 75 lone 1 73 - 2 - HG LEU 86 - HE2 LYS 13 lone 1 79 - 1 - HG LEU 62 - HE3 LYS 73 lone 1 53 - 2 - HG LEU 86 - HE3 LYS 13 lone 1 78 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 71 - 2 - HB3 LEU 86 - HE2 LYS 13 lone 1 74 - 2 - HB3 LEU 86 - HE3 LYS 13 lone 1 72 - 2 - HG LEU 86 - HE2 LYS 73 lone 1 56 - 2 - HG LEU 86 - HE3 LYS 73 lone 1 53 - 2 - HB3 LEU 86 - HE2 LYS 75 lone 1 68 - 2 - HB3 LEU 86 - HE2 LYS 73 lone 1 51 - 2 - HG3 ARG 54 - HE2 LYS 13 lone 1 91 - 1 - HG3 ARG 54 - HE3 LYS 13 lone 1 89 - 1 - HB3 LEU 86 - HE3 LYS 75 lone 1 66 - 2 - HB3 LEU 86 - HE3 LYS 73 lone 1 49 - 2 - HG2 ARG 84 - HE2 LYS 75 lone 1 80 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 80 - 1 - HG LEU 62 - HE2 LYS 13 lone 1 79 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 78 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 78 - 1 - HG LEU 62 - HE3 LYS 13 lone 1 78 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 58 - 2 - HG LEU 62 - HE2 LYS 75 lone 1 73 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 56 - 2 - HB3 LEU 86 - HE3 LYS 32 lone 1 53 - 2 - HG LEU 62 - HE3 LYS 75 lone 1 71 - 1 - HB3 LEU 86 - HE2 LYS 32 lone 1 51 - 2 - HG2 ARG 84 - HE2 LYS 13 lone 1 86 - 1 - HG3 ARG 84 - HE2 LYS 13 lone 1 86 - 1 - HG2 ARG 84 - HE3 LYS 13 lone 1 85 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 1 85 - 1 - Peak 1920 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 10 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 87 87 - 100 HE3 LYS 13 + HE3 LYS 13 OK 85 85 - 100 HE2 LYS 75 + HE2 LYS 75 OK 73 73 - 100 HE3 LYS 75 + HE3 LYS 75 OK 70 70 - 100 HE3 LYS 32 + HE3 LYS 32 OK 46 46 - 100 HE2 LYS 32 - HE2 LYS 32 OK 43 43 - 100 HE2 LYS 73 - HE2 LYS 73 OK 43 43 - 100 HE3 LYS 73 - HE3 LYS 73 OK 39 39 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1921 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 85 85 - 100 HE3 LYS 13 + HE3 LYS 13 OK 82 82 - 100 HE2 LYS 75 + HE2 LYS 75 OK 70 70 - 100 HE3 LYS 75 + HE3 LYS 75 OK 66 66 - 100 HE3 LYS 32 - HE3 LYS 32 OK 43 43 - 100 HE2 LYS 32 - HE2 LYS 32 OK 39 39 - 100 HE2 LYS 73 - HE2 LYS 73 OK 39 39 - 100 HE3 LYS 73 - HE3 LYS 73 OK 36 36 - 100 Peak 1922 from cnoeabs.peaks (7.24, 3.63, 64.52 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.0=100 H ALA 53 - HA ILE 40 OK 20 76 - 26 - 1936/3.2=3, 137/3.6=3...(10) H ASP 47 - HA ILE 40 OK 17 71 - 25 - 1936/3.2=4, 1929/3.0=4...(8) HE ARG 54 - HA ILE 40 OK 15 78 - 19 - 1929/3.0=3, 1936/3.2=3...(9) Peak 1923 from cnoeabs.peaks (3.63, 3.63, 64.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 40 + HA ILE 40 OK 100 100 - 100 Peak 1924 from cnoeabs.peaks (2.12, 3.63, 64.52 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.0=100 HB2 PRO 36 - HA ILE 40 OK 45 100 - 45 - 603/3.0=8, 1938/3.2=7...(14) HG3 PRO 44 - HA ILE 40 OK 39 89 - 44 - 1938/3.2=5, 603/3.0=5...(18) HG3 PRO 36 - HA ILE 40 OK 22 63 - 35 - ~603=4, ~5210=4...(13) Peak 1925 from cnoeabs.peaks (0.93, 3.63, 64.52 ppm; 3.46 A): 4 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HA ILE 40 OK 100 100 - 100 - 3.2=100 QG2 VAL 41 + HA ILE 40 OK 69 100 - 70 - 5130=16, 1979/3.6=12...(22) HG12 ILE 68 + HA ILE 40 OK 66 98 - 68 - 2.1/4761=9, 2.9/4750=7...(24) QD2 LEU 43 + HA ILE 40 OK 51 92 - 56 - 4388=8, 2.1/4703=7...(24) QD2 LEU 62 - HA ILE 40 OK 24 100 - 24 - 604/3.0=2, 3.1/5123=2...(10) QD1 LEU 64 - HA ILE 40 OK 15 71 - 21 - 3.1/5125=2, 604/3.0=1...(7) QG2 VAL 76 - HA ILE 40 OK 11 98 - 11 - QG1 VAL 76 - HA ILE 40 OK 11 98 - 11 - Peak 1926 from cnoeabs.peaks (1.90, 3.63, 64.52 ppm; 3.96 A): 4 out of 12 assignments used, quality = 1.00: * HG12 ILE 40 + HA ILE 40 OK 99 100 - 99 - 4.0=94, 1943/3.0=20...(23) HB ILE 68 + HA ILE 40 OK 83 99 - 84 - 4750=16, 5246/4.1=14...(27) HG13 ILE 68 + HA ILE 40 OK 67 85 - 79 - 2.1/4761=11, 2.9/4750=10...(26) HB VAL 41 + HA ILE 40 OK 49 71 - 70 - 2.1/5130=15, 1969/3.6=11...(20) HB3 PRO 14 - HA ILE 40 OK 30 87 - 34 - 1113=6, 2.3/5125=5...(14) HB2 ARG 66 - HA ILE 40 poor 8 60 - 14 - 4.0/272=4, 4.6/5807=3 HB2 MET 11 - HA ILE 40 lone 7 83 - 9 - 1.8/5125=1 HB2 GLU 19 - HA ILE 40 lone 5 100 - 5 - HB3 GLU 87 - HA ILE 40 lone 4 100 - 4 - HB3 ARG 26 - HA ILE 40 lone 4 73 - 5 - HB2 ARG 26 - HA ILE 40 lone 3 71 - 5 - HB2 GLN 91 - HA ILE 40 lone 2 99 - 2 - Peak 1927 from cnoeabs.peaks (1.23, 3.63, 64.52 ppm; 3.82 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HA ILE 40 OK 97 100 - 97 - 4.0=84, 1950/3.0=16...(19) QG1 VAL 65 + HA ILE 40 OK 76 100 - 77 - 5035/4.1=14, 2665=14...(26) HG2 ARG 69 + HA ILE 40 OK 63 98 - 65 - 1.8/2817=10, 2809=8...(22) QG2 VAL 65 + HA ILE 40 OK 57 85 - 67 - 2.1/2665=11, 2670=11...(21) HG13 ILE 33 - HA ILE 40 OK 30 96 - 31 - ~4224=4, 1934/3.0=4...(12) Peak 1928 from cnoeabs.peaks (1.03, 3.63, 64.52 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HA ILE 40 OK 100 100 - 100 - 4.1=100 HG3 PRO 34 + HA ILE 40 OK 63 95 - 66 - 1935/3.0=13, 1942/3.2=12...(15) Peak 1929 from cnoeabs.peaks (7.24, 2.12, 38.15 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.99: * H ILE 40 + HB ILE 40 OK 99 100 - 99 - 3.9=93, 1936/2.1=21...(21) H ASP 47 - HB ILE 40 OK 19 71 - 27 - 1936/2.1=5, 6064=5...(8) H ALA 53 - HB ILE 40 OK 16 76 - 21 - 1936/2.1=4, 1922/3.0=4...(7) HE ARG 54 - HB ILE 40 OK 13 78 - 17 - 1936/2.1=3, 1922/3.0=3...(6) Peak 1930 from cnoeabs.peaks (3.63, 2.12, 38.15 ppm; 4.09 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.0=100 HA VAL 65 + HB ILE 40 OK 81 100 - 81 - 5033/3.2=24, 1937/2.1=12...(32) HA ARG 69 + HB ILE 40 OK 73 100 - 73 - 1937/2.1=11, 2788/2.9=8...(27) HD3 PRO 14 - HB ILE 40 OK 33 90 - 36 - 1937/2.1=4, 1944/2.9=3...(16) Peak 1931 from cnoeabs.peaks (2.12, 2.12, 38.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 40 + HB ILE 40 OK 100 100 - 100 Peak 1932 from cnoeabs.peaks (0.93, 2.12, 38.15 ppm; 3.39 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HB ILE 40 OK 100 100 - 100 - 2.1=100 HG12 ILE 68 + HB ILE 40 OK 76 98 - 78 - 3.2/4753=10, ~5247=9...(34) QG2 VAL 41 + HB ILE 40 OK 68 100 - 68 - 4.0/139=10, 4330/3.9=9...(27) QD2 LEU 43 - HB ILE 40 OK 43 92 - 47 - 4388/3.0=6, 4918/3.9=4...(22) QD2 LEU 62 - HB ILE 40 OK 23 100 - 23 - 4.0/4309=2, 5002/2.9=2...(8) QD1 LEU 64 - HB ILE 40 OK 14 71 - 20 - 6102/2.9=2, ~6103=1...(10) QG2 VAL 76 - HB ILE 40 OK 11 98 - 11 - QG1 VAL 76 - HB ILE 40 OK 11 98 - 11 - Peak 1933 from cnoeabs.peaks (1.90, 2.12, 38.15 ppm; 3.80 A): 4 out of 12 assignments used, quality = 1.00: * HG12 ILE 40 + HB ILE 40 OK 100 100 - 100 - 2.9=100 HB ILE 68 + HB ILE 40 OK 87 99 - 88 - 2.1/4753=15, 5246/3.2=15...(39) HG13 ILE 68 + HB ILE 40 OK 73 85 - 87 - 3.2/4753=13, ~5247=12...(37) HB VAL 41 + HB ILE 40 OK 52 71 - 74 - 3.9/139=13, 2.1/4297=9...(27) HB3 PRO 14 - HB ILE 40 OK 27 87 - 31 - 1113/3.0=4, 3.0/1930=3...(14) HB2 MET 11 - HB ILE 40 lone 8 83 - 10 - ~4304=1 HB2 GLU 19 - HB ILE 40 lone 5 100 - 5 - HB2 ARG 66 - HB ILE 40 lone 5 60 - 8 - ~4734=1 HB3 GLU 87 - HB ILE 40 lone 5 100 - 4 - HB3 ARG 26 - HB ILE 40 lone 3 73 - 4 - HB2 ARG 26 - HB ILE 40 lone 3 71 - 4 - HB2 GLN 91 - HB ILE 40 lone 2 99 - 2 - Peak 1934 from cnoeabs.peaks (1.23, 2.12, 38.15 ppm; 4.07 A): 5 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HB ILE 40 OK 100 100 - 100 - 2.9=100 QG1 VAL 65 + HB ILE 40 OK 86 100 - 86 - 5035/3.2=20, 5034/2.1=12...(32) QG2 VAL 65 + HB ILE 40 OK 71 85 - 83 - ~5035=11, ~5033=10...(34) HG2 ARG 69 + HB ILE 40 OK 67 98 - 68 - ~4303=8, 1941/2.1=8...(25) HG13 ILE 33 + HB ILE 40 OK 50 96 - 53 - ~4300=12, 2.1/4224=7...(18) Peak 1935 from cnoeabs.peaks (1.03, 2.12, 38.15 ppm; 3.63 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HB ILE 40 OK 100 100 - 100 - 3.2=100 HG3 PRO 34 + HB ILE 40 OK 62 95 - 66 - 1942/2.1=13, 1949/2.9=11...(18) Peak 1936 from cnoeabs.peaks (7.24, 0.93, 18.83 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.99: * H ILE 40 + QG2 ILE 40 OK 99 100 - 99 - 4.0=96, 1929/2.1=24...(20) H ASP 47 - QG2 ILE 40 OK 23 71 - 32 - 1929/2.1=5, 3.0/4450=4...(10) H ALA 53 - QG2 ILE 40 OK 19 76 - 25 - 1929/2.1=4, 1922/3.2=4...(8) HE ARG 54 - QG2 ILE 40 OK 14 78 - 17 - 1929/2.1=3, 1922/3.2=3...(6) Peak 1937 from cnoeabs.peaks (3.63, 0.93, 18.83 ppm; 3.12 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 40 + QG2 ILE 40 OK 98 100 - 98 - 3.2=93, 4.1/1942=12...(20) HA VAL 65 + QG2 ILE 40 OK 63 100 - 63 - 5033/3.0=14, 3.2/5034=6...(28) HA ARG 69 + QG2 ILE 40 OK 59 100 - 59 - 3.0/4303=8, 4769=7...(26) HD3 PRO 14 - QG2 ILE 40 OK 23 90 - 25 - 1930/2.1=2, 1958/3.0=2...(9) Peak 1938 from cnoeabs.peaks (2.12, 0.93, 18.83 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 2.1=100 HB2 PRO 36 - QG2 ILE 40 OK 41 100 - 41 - 1959/3.0=5, 3.0/5210=5...(16) HG3 PRO 44 - QG2 ILE 40 OK 32 89 - 36 - 2.3/4401=5, 2.3/4404=4...(15) HG3 PRO 36 - QG2 ILE 40 OK 21 63 - 33 - 2.3/5210=6, ~1959=3...(15) Peak 1939 from cnoeabs.peaks (0.93, 0.93, 18.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 40 + QG2 ILE 40 OK 100 100 - 100 Peak 1940 from cnoeabs.peaks (1.90, 0.93, 18.83 ppm; 3.35 A): 4 out of 12 assignments used, quality = 1.00: * HG12 ILE 40 + QG2 ILE 40 OK 100 100 - 100 - 3.2=100 HB ILE 68 + QG2 ILE 40 OK 84 99 - 85 - 5246/3.0=12, 2.1/4298=11...(41) HG13 ILE 68 + QG2 ILE 40 OK 71 85 - 83 - 2774=10, ~5247=10...(41) HB VAL 41 + QG2 ILE 40 OK 47 71 - 66 - 3.0/5210=9, 2.1/4298=9...(27) HB3 PRO 14 - QG2 ILE 40 OK 22 87 - 26 - 1113/3.2=3, 3.0/1937=3...(9) HB2 MET 11 - QG2 ILE 40 lone 7 83 - 8 - ~4304=1 HB2 ARG 66 - QG2 ILE 40 lone 6 60 - 10 - 4.0/4732=2, 4.6/4741=1 HB3 GLU 87 - QG2 ILE 40 lone 6 100 - 6 - 4.0/5616=2 HB2 GLU 19 - QG2 ILE 40 lone 6 100 - 6 - HB3 ARG 26 - QG2 ILE 40 lone 3 73 - 4 - HB2 ARG 26 - QG2 ILE 40 lone 3 71 - 3 - HB2 GLN 91 - QG2 ILE 40 lone 2 99 - 2 - Peak 1941 from cnoeabs.peaks (1.23, 0.93, 18.83 ppm; 3.05 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + QG2 ILE 40 OK 94 100 - 94 - 3.2=87, 2.1/1942=22...(12) QG1 VAL 65 + QG2 ILE 40 OK 69 100 - 69 - 5035/3.0=12, 5034=10...(29) QG2 VAL 65 + QG2 ILE 40 OK 54 85 - 64 - 2.1/5034=8, ~5035=6...(30) HG2 ARG 69 + QG2 ILE 40 OK 50 98 - 51 - 3.0/4303=7, 3.0/4302=6...(22) HG13 ILE 33 - QG2 ILE 40 OK 31 96 - 32 - ~4300=6, 1962/3.0=3...(12) Peak 1942 from cnoeabs.peaks (1.03, 0.93, 18.83 ppm; 2.94 A): 2 out of 2 assignments used, quality = 0.98: * QD1 ILE 40 + QG2 ILE 40 OK 97 100 - 97 - 3.0=95, 2.1/1941=9...(18) HG3 PRO 34 + QG2 ILE 40 OK 45 95 - 48 - 1935/2.1=9, 1949/3.2=6...(15) Peak 1943 from cnoeabs.peaks (7.24, 1.90, 28.19 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.93: * H ILE 40 + HG12 ILE 40 OK 93 100 - 93 - 4.6=66, 607/2.1=24...(16) H ASP 47 - HG12 ILE 40 OK 16 71 - 23 - 1936/3.2=4, 1957/2.1=4...(6) H ALA 53 - HG12 ILE 40 OK 15 76 - 20 - 1950/1.8=4, 1957/2.1=4...(6) HE ARG 54 - HG12 ILE 40 OK 13 78 - 16 - 1950/1.8=3, 1957/2.1=3...(5) Peak 1944 from cnoeabs.peaks (3.63, 1.90, 28.19 ppm; 4.37 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 4.0=100 HA VAL 65 + HG12 ILE 40 OK 86 100 - 86 - 5033/2.1=33, ~5035=13...(29) HA ARG 69 + HG12 ILE 40 OK 75 100 - 75 - 2788/1.8=11, 1958/2.1=11...(23) HD3 PRO 14 - HG12 ILE 40 OK 32 90 - 35 - 1958/2.1=4, 1930/2.9=4...(15) Peak 1945 from cnoeabs.peaks (2.12, 1.90, 28.19 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 2.9=100 HB2 PRO 36 + HG12 ILE 40 OK 49 100 - 49 - 1959/2.1=10, 1952/1.8=8...(16) HG3 PRO 44 - HG12 ILE 40 OK 37 89 - 41 - 1952/1.8=6, 1959/2.1=6...(14) HG3 PRO 36 - HG12 ILE 40 OK 26 63 - 41 - ~1959=6, ~1952=5...(14) Peak 1946 from cnoeabs.peaks (0.93, 1.90, 28.19 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 3.2=100 HG12 ILE 68 + HG12 ILE 40 OK 85 98 - 87 - ~5247=18, ~5249=13...(29) QG2 VAL 41 + HG12 ILE 40 OK 75 100 - 75 - 4330/4.6=11, 5130/4.0=9...(27) QD2 LEU 43 - HG12 ILE 40 OK 40 92 - 43 - 4388/4.0=6, 4916/5947=5...(17) QD2 LEU 62 - HG12 ILE 40 OK 25 100 - 25 - 5002/1.8=3, 1960/2.1=3...(8) QD1 LEU 64 - HG12 ILE 40 OK 19 71 - 26 - 2.1/6103=4, 6102=3...(12) QG2 VAL 76 - HG12 ILE 40 OK 13 98 - 13 - 1960/2.1=1, 1953/1.8=1 QG1 VAL 76 - HG12 ILE 40 OK 13 98 - 13 - 1960/2.1=1, 1953/1.8=1 Peak 1947 from cnoeabs.peaks (1.90, 1.90, 28.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 40 + HG12 ILE 40 OK 100 100 - 100 Peak 1948 from cnoeabs.peaks (1.23, 1.90, 28.19 ppm; 3.32 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 1.8=100 QG1 VAL 65 + HG12 ILE 40 OK 72 100 - 72 - 5035/2.1=18, ~5033=9...(27) QG2 VAL 65 + HG12 ILE 40 OK 57 85 - 67 - ~5035=10, ~5033=9...(26) HG2 ARG 69 - HG12 ILE 40 OK 45 98 - 46 - ~2820=5, 1962/2.1=5...(19) HG13 ILE 33 - HG12 ILE 40 OK 39 96 - 41 - ~4300=11, 1962/2.1=5...(14) Peak 1949 from cnoeabs.peaks (1.03, 1.90, 28.19 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HG12 ILE 40 OK 100 100 - 100 - 2.1=100 HG3 PRO 34 + HG12 ILE 40 OK 61 95 - 64 - 1956/1.8=14, 1935/2.9=11...(14) Peak 1950 from cnoeabs.peaks (7.24, 1.23, 28.19 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.98: * H ILE 40 + HG13 ILE 40 OK 98 100 - 98 - 4.6=85, 1943/1.8=29...(16) H ASP 47 - HG13 ILE 40 OK 18 71 - 26 - 1943/1.8=5, 1936/3.2=5...(6) H ALA 53 - HG13 ILE 40 OK 18 76 - 23 - 1943/1.8=5, 1957/2.1=5...(6) HE ARG 54 - HG13 ILE 40 OK 14 78 - 18 - 1943/1.8=4, 1957/2.1=4...(6) Peak 1951 from cnoeabs.peaks (3.63, 1.23, 28.19 ppm; 4.32 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 4.0=100 HA VAL 65 + HG13 ILE 40 OK 85 100 - 85 - 5033/2.1=32, ~5035=12...(25) HA ARG 69 + HG13 ILE 40 OK 80 100 - 81 - 2788=13, 1958/2.1=10...(26) HD3 PRO 14 - HG13 ILE 40 OK 29 90 - 32 - 1944/1.8=4, 1958/2.1=4...(11) Peak 1952 from cnoeabs.peaks (2.12, 1.23, 28.19 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 2.9=100 HB2 PRO 36 + HG13 ILE 40 OK 55 100 - 55 - 1959/2.1=11, 1945/1.8=10...(17) HG3 PRO 44 - HG13 ILE 40 OK 42 89 - 47 - 1945/1.8=7, 1959/2.1=7...(14) HG3 PRO 36 - HG13 ILE 40 OK 29 63 - 47 - ~1959=7, ~1945=6...(16) Peak 1953 from cnoeabs.peaks (0.93, 1.23, 28.19 ppm; 4.15 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 3.2=100 HG12 ILE 68 + HG13 ILE 40 OK 89 98 - 91 - ~5247=21, ~5249=15...(30) QG2 VAL 41 + HG13 ILE 40 OK 77 100 - 78 - 4330/4.6=12, 5130/4.0=10...(24) QD2 LEU 43 - HG13 ILE 40 OK 44 92 - 47 - 4388/4.0=7, 4918/4.6=6...(16) QD2 LEU 62 - HG13 ILE 40 OK 29 100 - 29 - 5002=4, 1960/2.1=3...(10) QD1 LEU 64 - HG13 ILE 40 OK 22 71 - 31 - 2.1/5030=4, ~6103=3...(15) QG2 VAL 76 - HG13 ILE 40 OK 16 98 - 16 - 1960/2.1=2, 1946/1.8=2...(4) QG1 VAL 76 - HG13 ILE 40 OK 16 98 - 16 - 1960/2.1=2, 1946/1.8=2...(4) Peak 1954 from cnoeabs.peaks (1.90, 1.23, 28.19 ppm; 3.40 A): 3 out of 12 assignments used, quality = 1.00: * HG12 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 1.8=100 HB ILE 68 + HG13 ILE 40 OK 80 99 - 82 - 5246/2.1=14, ~5249=14...(36) HG13 ILE 68 + HG13 ILE 40 OK 67 85 - 79 - ~5247=14, ~5249=9...(34) HB VAL 41 - HG13 ILE 40 OK 41 71 - 58 - 5627/4.6=6, 3.0/4342=5...(23) HB3 PRO 14 - HG13 ILE 40 OK 18 87 - 21 - 1113/4.0=2, 3.0/1951=2...(12) HB2 MET 11 - HG13 ILE 40 lone 6 83 - 8 - ~4304=1 HB2 ARG 66 - HG13 ILE 40 lone 6 60 - 10 - 4.0/274=2, 3.0/4734=2 HB2 GLU 19 - HG13 ILE 40 lone 4 100 - 4 - HB3 GLU 87 - HG13 ILE 40 lone 4 100 - 4 - HB3 ARG 26 - HG13 ILE 40 lone 2 73 - 3 - HB2 ARG 26 - HG13 ILE 40 lone 2 71 - 3 - HB2 GLN 91 - HG13 ILE 40 lone 2 99 - 2 - Peak 1955 from cnoeabs.peaks (1.23, 1.23, 28.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 40 + HG13 ILE 40 OK 100 100 - 100 Peak 1956 from cnoeabs.peaks (1.03, 1.23, 28.19 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HG13 ILE 40 OK 100 100 - 100 - 2.1=100 HG3 PRO 34 + HG13 ILE 40 OK 63 95 - 67 - 1949/1.8=14, 1935/2.9=11...(15) Peak 1957 from cnoeabs.peaks (7.24, 1.03, 14.28 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.96: * H ILE 40 + QD1 ILE 40 OK 96 100 - 96 - 4.9=66, 1943/2.1=27...(22) H ASP 47 - QD1 ILE 40 OK 19 71 - 27 - 1936/3.0=5, 1943/2.1=5...(7) H ALA 53 - QD1 ILE 40 OK 18 76 - 24 - 1943/2.1=4, 1950/2.1=4...(6) HE ARG 54 - QD1 ILE 40 OK 15 78 - 19 - 1943/2.1=4, 1950/2.1=4...(6) Peak 1958 from cnoeabs.peaks (3.63, 1.03, 14.28 ppm; 3.78 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 40 + QD1 ILE 40 OK 96 100 - 96 - 4.1=77, 3.2/1942=23...(24) HA VAL 65 + QD1 ILE 40 OK 82 100 - 82 - 5033=33, 3.2/5035=17...(30) HA ARG 69 + QD1 ILE 40 OK 67 100 - 67 - 1937/3.0=8, 2788/2.1=8...(27) HD3 PRO 14 - QD1 ILE 40 OK 25 90 - 27 - 1937/3.0=3, 1944/2.1=3...(9) Peak 1959 from cnoeabs.peaks (2.12, 1.03, 14.28 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 3.2=100 HB2 PRO 36 + QD1 ILE 40 OK 48 100 - 48 - 4.0/5587=12, 1945/2.1=7...(17) HG3 PRO 44 - QD1 ILE 40 OK 30 89 - 34 - 1938/3.0=5, 1945/2.1=5...(14) HG3 PRO 36 - QD1 ILE 40 OK 22 63 - 36 - ~1945=4, ~1952=4...(12) Peak 1960 from cnoeabs.peaks (0.93, 1.03, 14.28 ppm; 3.27 A): 3 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 3.0=100 HG12 ILE 68 + QD1 ILE 40 OK 77 98 - 79 - 2.1/5247=23, 3.2/5249=18...(32) QG2 VAL 41 + QD1 ILE 40 OK 63 100 - 64 - 4.0/143=8, 2.1/4299=8...(26) QD2 LEU 43 - QD1 ILE 40 OK 32 92 - 35 - 4916/5173=5, 4388/4.1=4...(17) QD2 LEU 62 - QD1 ILE 40 OK 23 100 - 23 - 5002/2.1=2, 4.0/4313=2...(10) QD1 LEU 64 - QD1 ILE 40 OK 13 71 - 19 - 6102/2.1=2, ~6103=2...(6) QG2 VAL 76 - QD1 ILE 40 OK 12 98 - 12 - 3.9/4901=1, 3.2/4313=1 QG1 VAL 76 - QD1 ILE 40 OK 12 98 - 12 - 3.9/4901=1, 3.2/4313=1 Peak 1961 from cnoeabs.peaks (1.90, 1.03, 14.28 ppm; 3.36 A): 3 out of 12 assignments used, quality = 1.00: * HG12 ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 2.1=100 HB ILE 68 + QD1 ILE 40 OK 83 99 - 84 - 2.1/5249=25, 3.2/5247=18...(37) HG13 ILE 68 + QD1 ILE 40 OK 70 85 - 83 - 2.1/5247=24, 3.2/5249=19...(33) HB VAL 41 - QD1 ILE 40 OK 44 71 - 62 - 3.9/143=9, 2.1/4299=8...(26) HB3 PRO 14 - QD1 ILE 40 OK 19 87 - 22 - 1113/4.1=2, 3.0/1958=2...(9) HB2 MET 11 - QD1 ILE 40 lone 8 83 - 9 - 3.0/4304=2 HB3 GLU 87 - QD1 ILE 40 lone 6 100 - 5 - 4.0/5622=2 HB2 GLU 19 - QD1 ILE 40 lone 5 100 - 5 - HB2 ARG 66 - QD1 ILE 40 lone 5 60 - 9 - 4.6/4901=1, ~4734=1 HB3 ARG 26 - QD1 ILE 40 lone 3 73 - 4 - HB2 ARG 26 - QD1 ILE 40 lone 3 71 - 4 - HB2 GLN 91 - QD1 ILE 40 lone 2 99 - 2 - Peak 1962 from cnoeabs.peaks (1.23, 1.03, 14.28 ppm; 3.00 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + QD1 ILE 40 OK 100 100 - 100 - 2.1=100 QG1 VAL 65 + QD1 ILE 40 OK 69 100 - 69 - 5035=19, 3.2/5033=13...(30) QG2 VAL 65 + QD1 ILE 40 OK 55 85 - 65 - 2.1/5035=15, 3.2/5033=13...(29) HG13 ILE 33 - QD1 ILE 40 OK 40 96 - 42 - 3.2/4300=17, 3.9/4852=4...(13) HG2 ARG 69 - QD1 ILE 40 OK 39 98 - 40 - 1941/3.0=4, 1948/2.1=4...(17) Peak 1963 from cnoeabs.peaks (1.03, 1.03, 14.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + QD1 ILE 40 OK 100 100 - 100 Peak 1964 from cnoeabs.peaks (7.63, 3.58, 65.23 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + HA VAL 41 OK 100 100 - 100 - 3.0=100 HD21 ASN 42 + HA VAL 41 OK 66 100 - 66 - 5089/3.6=17, 1969/3.0=13...(12) HD21 ASN 74 - HA VAL 41 OK 14 92 - 15 - 1979/3.2=3, 1974/3.2=3...(6) Peak 1965 from cnoeabs.peaks (3.58, 3.58, 65.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 41 + HA VAL 41 OK 100 100 - 100 Peak 1966 from cnoeabs.peaks (1.93, 3.58, 65.23 ppm; 3.64 A): 3 out of 10 assignments used, quality = 1.00: * HB VAL 41 + HA VAL 41 OK 100 100 - 100 - 3.0=100 HG13 ILE 68 + HA VAL 41 OK 71 99 - 71 - 2.1/1967=10, 1.8/1968=8...(27) HG12 ILE 40 + HA VAL 41 OK 50 71 - 71 - ~143=8, 3.2/5210=8...(31) HB2 MET 31 - HA VAL 41 OK 19 99 - 19 - 146/3.6=3, 4.0/3820=3...(7) HB3 ARG 66 - HA VAL 41 lone 9 96 - 9 - 1981/3.2=1, 1976/3.2=1 HG LEU 57 - HA VAL 41 lone 6 71 - 8 - ~4904=1 HB2 GLU 19 - HA VAL 41 lone 6 83 - 7 - HB3 ARG 70 - HA VAL 41 lone 5 71 - 6 - 4.1/5629=1 HB2 ARG 70 - HA VAL 41 lone 5 71 - 6 - 4.1/5629=1 HB3 GLU 87 - HA VAL 41 lone 2 78 - 3 - Peak 1967 from cnoeabs.peaks (0.80, 3.58, 65.23 ppm; 3.30 A): 3 out of 4 assignments used, quality = 1.00: * QG1 VAL 41 + HA VAL 41 OK 100 100 - 100 - 3.2=100 QD1 ILE 68 + HA VAL 41 OK 57 92 - 62 - 2.1/1966=7, 1972/3.0=7...(29) QG2 ILE 68 + HA VAL 41 OK 56 95 - 60 - 1982/3.2=7, 1972/3.0=7...(34) QD1 ILE 89 - HA VAL 41 lone 7 92 - 8 - 1982/3.2=1, 611/3.0=1 Peak 1968 from cnoeabs.peaks (0.94, 3.58, 65.23 ppm; 3.25 A): 3 out of 8 assignments used, quality = 1.00: * QG2 VAL 41 + HA VAL 41 OK 100 100 - 100 - 3.2=100 QG2 ILE 40 + HA VAL 41 OK 67 100 - 67 - 5210=10, 3816/3.0=9...(31) HG12 ILE 68 + HA VAL 41 OK 57 93 - 61 - 2.1/1967=8, 1.8/1966=8...(26) QD2 LEU 43 - HA VAL 41 OK 13 97 - 14 - 4.8/5630=3, 612/3.0=2...(5) QD1 LEU 64 - HA VAL 41 OK 13 83 - 15 - 6102/3.0=3, ~5242=2...(6) QG2 VAL 76 - HA VAL 41 OK 11 93 - 12 - 1978/3.2=1, 2.1/4343=1 QG1 VAL 76 - HA VAL 41 OK 11 93 - 12 - 1978/3.2=1, 2.1/4343=1 QD2 LEU 62 - HA VAL 41 lone 9 100 - 9 - 140/3.0=1, 1978/3.2=1 Peak 1969 from cnoeabs.peaks (7.63, 1.93, 32.20 ppm; 3.34 A): 3 out of 3 assignments used, quality = 0.93: * H VAL 41 + HB VAL 41 OK 81 100 - 81 - 3.9=64, 1979/2.1=17...(9) HD21 ASN 42 + HB VAL 41 OK 61 100 - 61 - 1979/2.1=13, 1974/2.1=11...(14) HD21 ASN 74 + HB VAL 41 OK 11 92 - 12 - 1979/2.1=3, 1974/2.1=3...(6) Peak 1970 from cnoeabs.peaks (3.58, 1.93, 32.20 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + HB VAL 41 OK 100 100 - 100 - 3.0=100 HD3 PRO 36 - HB VAL 41 OK 37 96 - 38 - 1975/2.1=10, 1980/2.1=10...(11) Peak 1971 from cnoeabs.peaks (1.93, 1.93, 32.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 41 + HB VAL 41 OK 100 100 - 100 Peak 1972 from cnoeabs.peaks (0.80, 1.93, 32.20 ppm; 3.07 A): 3 out of 4 assignments used, quality = 1.00: * QG1 VAL 41 + HB VAL 41 OK 100 100 - 100 - 2.1=100 QG2 ILE 68 + HB VAL 41 OK 59 95 - 62 - 1982/2.1=9, 2761=8...(29) QD1 ILE 68 + HB VAL 41 OK 57 92 - 62 - 2782=9, 1982/2.1=8...(25) QD1 ILE 89 - HB VAL 41 lone 7 92 - 8 - 1982/2.1=1 Peak 1973 from cnoeabs.peaks (0.94, 1.93, 32.20 ppm; 3.13 A): 3 out of 8 assignments used, quality = 1.00: * QG2 VAL 41 + HB VAL 41 OK 100 100 - 100 - 2.1=100 QG2 ILE 40 + HB VAL 41 OK 59 100 - 60 - 4298/2.1=8, 5210/3.0=8...(28) HG12 ILE 68 + HB VAL 41 OK 57 93 - 61 - 2.1/1972=8, 2768=7...(23) QD1 LEU 64 - HB VAL 41 OK 19 83 - 23 - 6102=4, 2.1/6103=3...(9) QD2 LEU 43 - HB VAL 41 OK 11 97 - 11 - 148/4.4=2, 612/3.9=1...(4) QG2 VAL 76 - HB VAL 41 poor 10 93 - 10 - 1978/2.1=1 QG1 VAL 76 - HB VAL 41 poor 10 93 - 10 - 1978/2.1=1 QD2 LEU 62 - HB VAL 41 lone 9 100 - 9 - 1978/2.1=1 Peak 1974 from cnoeabs.peaks (7.63, 0.80, 21.38 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.99: * H VAL 41 + QG1 VAL 41 OK 95 100 - 95 - 4.0=85, 1979/2.1=21...(14) HD21 ASN 42 + QG1 VAL 41 OK 79 100 - 79 - 1979/2.1=16, 1969/2.1=16...(16) HD21 ASN 74 - QG1 VAL 41 OK 17 92 - 18 - 1979/2.1=3, 1969/2.1=3...(7) Peak 1975 from cnoeabs.peaks (3.58, 0.80, 21.38 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + QG1 VAL 41 OK 100 100 - 100 - 3.2=100 HD3 PRO 36 - QG1 VAL 41 OK 36 96 - 37 - 1980/2.1=9, 1970/2.1=8...(13) Peak 1976 from cnoeabs.peaks (1.93, 0.80, 21.38 ppm; 3.07 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 41 + QG1 VAL 41 OK 100 100 - 100 - 2.1=100 HG13 ILE 68 + QG1 VAL 41 OK 59 99 - 59 - 2776=10, 1981/2.1=8...(21) HG12 ILE 40 - QG1 VAL 41 OK 36 71 - 51 - 2.1/4299=7, 3.2/4298=5...(22) HB2 MET 31 - QG1 VAL 41 OK 17 99 - 17 - 4.0/3822=2, 1981/2.1=2...(6) HB3 ARG 66 - QG1 VAL 41 lone 10 96 - 10 - 4.6/5803=1, 1981/2.1=1 HG LEU 57 - QG1 VAL 41 lone 6 71 - 9 - 3.0/4904=2 HB3 ARG 70 - QG1 VAL 41 lone 5 71 - 8 - 4.4/5835=2, 4.1/5831=1 HB2 ARG 70 - QG1 VAL 41 lone 5 71 - 8 - 4.4/5835=2, 4.1/5831=1 HB2 GLU 19 - QG1 VAL 41 lone 5 83 - 5 - HB3 GLU 87 - QG1 VAL 41 lone 2 78 - 2 - Peak 1977 from cnoeabs.peaks (0.80, 0.80, 21.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 41 + QG1 VAL 41 OK 100 100 - 100 Peak 1978 from cnoeabs.peaks (0.94, 0.80, 21.38 ppm; 2.80 A): 3 out of 8 assignments used, quality = 1.00: * QG2 VAL 41 + QG1 VAL 41 OK 100 100 - 100 - 2.1=100 QG2 ILE 40 + QG1 VAL 41 OK 54 100 - 54 - 4298=9, 5210/3.2=6...(21) HG12 ILE 68 + QG1 VAL 41 OK 48 93 - 51 - 1.8/1976=7, 2769=6...(22) QD1 LEU 64 - QG1 VAL 41 OK 15 83 - 18 - 2.1/5242=3, 3.9/6071=3...(5) QG2 VAL 76 - QG1 VAL 41 OK 10 93 - 11 - 3.2/4339=1 QG1 VAL 76 - QG1 VAL 41 OK 10 93 - 11 - 3.2/4339=1 QD2 LEU 62 - QG1 VAL 41 OK 10 100 - 10 - QD2 LEU 43 - QG1 VAL 41 poor 10 97 - 10 - 148/4.1=1, 612/4.0=1 Peak 1979 from cnoeabs.peaks (7.63, 0.94, 22.13 ppm; 3.29 A): 3 out of 3 assignments used, quality = 0.92: * H VAL 41 + QG2 VAL 41 OK 78 100 - 78 - 4.0=54, 1969/2.1=17...(7) HD21 ASN 42 + QG2 VAL 41 OK 60 100 - 60 - 1969/2.1=12, 1974/2.1=11...(13) HD21 ASN 74 + QG2 VAL 41 OK 12 92 - 13 - 1974/2.1=2, 1969/2.1=2...(6) Peak 1980 from cnoeabs.peaks (3.58, 0.94, 22.13 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 41 + QG2 VAL 41 OK 100 100 - 100 - 3.2=100 HD3 PRO 36 - QG2 VAL 41 OK 33 96 - 35 - 1975/2.1=8, 1970/2.1=7...(11) Peak 1981 from cnoeabs.peaks (1.93, 0.94, 22.13 ppm; 3.10 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 41 + QG2 VAL 41 OK 100 100 - 100 - 2.1=100 HG13 ILE 68 + QG2 VAL 41 OK 62 99 - 63 - 2.1/1982=8, 2776/2.1=8...(23) HG12 ILE 40 - QG2 VAL 41 OK 40 71 - 57 - 4.6/4330=6, 4.0/5130=6...(25) HB2 MET 31 - QG2 VAL 41 OK 17 99 - 17 - 4.0/3823=2, 1976/2.1=2...(8) HB3 ARG 66 - QG2 VAL 41 OK 11 96 - 11 - 3.0/4336=1, 1976/2.1=1 HG LEU 57 - QG2 VAL 41 lone 6 71 - 8 - 3.0/4599=1, ~4904=1 HB3 ARG 70 - QG2 VAL 41 lone 6 71 - 8 - 4.1/5830=2, 4.4/5834=2 HB2 ARG 70 - QG2 VAL 41 lone 6 71 - 8 - 4.1/5830=2, 4.4/5834=2 HB2 GLU 19 - QG2 VAL 41 lone 5 83 - 6 - HB3 GLU 87 - QG2 VAL 41 lone 2 78 - 2 - Peak 1982 from cnoeabs.peaks (0.80, 0.94, 22.13 ppm; 2.78 A): 3 out of 4 assignments used, quality = 1.00: * QG1 VAL 41 + QG2 VAL 41 OK 100 100 - 100 - 2.1=100 QG2 ILE 68 + QG2 VAL 41 OK 55 95 - 58 - 2760=9, 1972/2.1=7...(30) QD1 ILE 68 + QG2 VAL 41 OK 52 92 - 57 - 2781=7, 1972/2.1=7...(27) QD1 ILE 89 - QG2 VAL 41 lone 8 92 - 9 - Peak 1983 from cnoeabs.peaks (0.94, 0.94, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 41 + QG2 VAL 41 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (4.68, 4.68, 53.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 42 + HA ASN 42 OK 100 100 - 100 Peak 1986 from cnoeabs.peaks (2.76, 4.68, 53.88 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 42 + HA ASN 42 OK 100 100 - 100 - 3.0=100 HB3 ASN 42 + HA ASN 42 OK 100 100 - 100 - 3.0=100 HB3 ASN 80 - HA ASN 42 lone 3 100 - 3 - HB3 ASN 74 - HA ASN 42 lone 2 73 - 3 - Peak 1987 from cnoeabs.peaks (2.76, 4.68, 53.88 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 42 + HA ASN 42 OK 100 100 - 100 - 3.0=100 HB2 ASN 42 + HA ASN 42 OK 100 100 - 100 - 3.0=100 HB3 ASN 80 - HA ASN 42 lone 3 100 - 3 - HB3 ASN 74 - HA ASN 42 lone 2 78 - 3 - Peak 1988 from cnoeabs.peaks (7.62, 4.68, 53.88 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.98: * HD21 ASN 42 + HA ASN 42 OK 95 100 - 95 - 4.4=86, 5089/3.0=22...(7) H VAL 41 + HA ASN 42 OK 60 100 - 60 - 916/3.0=23, 4.0/4340=20...(6) HD21 ASN 74 - HA ASN 42 lone 9 93 - 9 - 144/3.0=3, 450/3.0=1, 450/3.0=1 Peak 1990 from cnoeabs.peaks (7.72, 2.76, 39.67 ppm; 3.62 A): 2 out of 8 assignments used, quality = 0.98: H ASN 42 + HB3 ASN 42 OK 87 100 - 87 - 4.1=69, 615/1.8=20...(10) * H ASN 42 + HB2 ASN 42 OK 87 100 - 87 - 4.1=69, 615/1.8=20...(10) H GLU 50 - HB3 ASN 42 OK 12 98 - 12 - 149/4.4=4, 5089/3.5=2 H GLU 50 - HB2 ASN 42 OK 12 98 - 12 - 149/4.4=4, 5089/3.5=2 H MET 31 - HB3 ASN 42 OK 10 96 - 10 - 5089/3.5=3, 5088/3.5=3 H MET 31 - HB2 ASN 42 OK 10 97 - 10 - 5089/3.5=3, 5088/3.5=3 H TYR 55 - HB2 ASN 42 lone 3 63 - 5 - 149/4.4=1, 5088/3.5=1 H TYR 55 - HB3 ASN 42 lone 3 63 - 5 - 149/4.4=1, 5088/3.5=1 Peak 1991 from cnoeabs.peaks (4.68, 2.76, 39.67 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.0=100 HA ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.0=100 HA PRO 56 - HB2 ASN 42 lone 9 99 - 9 - ~2400=2, 614/4.1=2...(4) HA PRO 56 - HB3 ASN 42 lone 9 99 - 9 - ~2400=2, 614/4.1=2...(4) Peak 1992 from cnoeabs.peaks (2.76, 2.76, 39.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 42 + HB2 ASN 42 OK 100 100 - 100 HB3 ASN 42 + HB3 ASN 42 OK 100 100 - 100 Peak 1993 from cnoeabs.peaks (2.76, 2.76, 39.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 42 + HB3 ASN 42 OK 100 100 - 100 HB2 ASN 42 + HB2 ASN 42 OK 100 100 - 100 Reference assignment not found: HB3 ASN 42 - HB2 ASN 42 Peak 1994 from cnoeabs.peaks (7.62, 2.76, 39.67 ppm; 3.70 A): 4 out of 6 assignments used, quality = 1.00: * HD21 ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.5=100 HD21 ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.5=100 H VAL 41 + HB3 ASN 42 OK 52 100 - 52 - 916/4.1=14, 1988/3.0=9...(11) H VAL 41 + HB2 ASN 42 OK 52 100 - 52 - 916/4.1=14, 1988/3.0=9...(11) HD21 ASN 74 - HB2 ASN 42 poor 10 93 - 10 - 144/4.1=2, 450/1.8=1...(5) HD21 ASN 74 - HB3 ASN 42 poor 10 93 - 10 - 144/4.1=2, 450=1...(5) Peak 1995 from cnoeabs.peaks (6.94, 2.76, 39.67 ppm; 4.21 A): 2 out of 8 assignments used, quality = 1.00: * HD22 ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.5=100 HD22 ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.5=100 QE PHE 35 - HB2 ASN 42 OK 31 99 - 31 - 4687=9, 4687/1.8=8...(6) QE PHE 35 - HB3 ASN 42 OK 31 99 - 31 - 4687=9, 4687/1.8=8...(6) HZ PHE 35 - HB2 ASN 42 OK 21 99 - 21 - 2.2/4687=8, ~4687=6...(5) HZ PHE 35 - HB3 ASN 42 OK 21 99 - 21 - 2.2/4687=8, ~4687=6...(5) HZ PHE 48 - HB2 ASN 42 lone 6 97 - 7 - 618/4.1=3, 428/3.5=1 HZ PHE 48 - HB3 ASN 42 lone 6 97 - 7 - 618/4.1=3, 428/3.5=1 Peak 1996 from cnoeabs.peaks (7.72, 2.76, 39.67 ppm; 3.62 A): 2 out of 8 assignments used, quality = 0.98: * H ASN 42 + HB3 ASN 42 OK 87 100 - 87 - 4.1=69, 615/1.8=20...(10) H ASN 42 + HB2 ASN 42 OK 87 100 - 87 - 4.1=69, 615/1.8=20...(10) H GLU 50 - HB3 ASN 42 OK 12 98 - 12 - 149/4.4=4, 5089/3.5=2 H GLU 50 - HB2 ASN 42 OK 12 98 - 12 - 149/4.4=4, 5089/3.5=2 H MET 31 - HB3 ASN 42 OK 10 97 - 10 - 5089/3.5=3, 5088/3.5=3 H MET 31 - HB2 ASN 42 OK 10 96 - 10 - 5089/3.5=3, 5088/3.5=3 H TYR 55 - HB3 ASN 42 lone 3 63 - 5 - 149/4.4=1, 5088/3.5=1 H TYR 55 - HB2 ASN 42 lone 3 63 - 5 - 149/4.4=1, 5088/3.5=1 Peak 1997 from cnoeabs.peaks (4.68, 2.76, 39.67 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HA ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.0=100 HA ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.0=100 HA PRO 56 - HB3 ASN 42 lone 9 99 - 9 - ~2400=2, 614/4.1=2...(4) HA PRO 56 - HB2 ASN 42 lone 9 99 - 9 - ~2400=2, 614/4.1=2...(4) Peak 1998 from cnoeabs.peaks (2.76, 2.76, 39.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 42 + HB3 ASN 42 OK 100 100 - 100 HB2 ASN 42 + HB2 ASN 42 OK 100 100 - 100 Reference assignment not found: HB2 ASN 42 - HB3 ASN 42 Peak 1999 from cnoeabs.peaks (2.76, 2.76, 39.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 42 + HB3 ASN 42 OK 100 100 - 100 HB2 ASN 42 + HB2 ASN 42 OK 100 100 - 100 Peak 2000 from cnoeabs.peaks (7.62, 2.76, 39.67 ppm; 3.70 A): 4 out of 6 assignments used, quality = 1.00: * HD21 ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.5=100 HD21 ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.5=100 H VAL 41 + HB3 ASN 42 OK 52 100 - 52 - 916/4.1=14, 1988/3.0=9...(11) H VAL 41 + HB2 ASN 42 OK 52 100 - 52 - 916/4.1=14, 1988/3.0=9...(11) HD21 ASN 74 - HB3 ASN 42 poor 10 93 - 10 - 144/4.1=2, 450=1...(5) HD21 ASN 74 - HB2 ASN 42 poor 10 93 - 10 - 144/4.1=2, 450/1.8=1...(5) Peak 2001 from cnoeabs.peaks (6.94, 2.76, 39.67 ppm; 4.21 A): 2 out of 8 assignments used, quality = 1.00: * HD22 ASN 42 + HB3 ASN 42 OK 100 100 - 100 - 3.5=100 HD22 ASN 42 + HB2 ASN 42 OK 100 100 - 100 - 3.5=100 QE PHE 35 - HB3 ASN 42 OK 31 99 - 31 - 4687=9, 4687/1.8=8...(6) QE PHE 35 - HB2 ASN 42 OK 31 99 - 31 - 4687=9, 4687/1.8=8...(6) HZ PHE 35 - HB2 ASN 42 OK 21 99 - 21 - 2.2/4687=8, ~4687=6...(5) HZ PHE 35 - HB3 ASN 42 OK 21 99 - 21 - 2.2/4687=7, ~4687=6...(5) HZ PHE 48 - HB3 ASN 42 lone 6 97 - 7 - 618/4.1=3, 428/3.5=1 HZ PHE 48 - HB2 ASN 42 lone 6 97 - 7 - 618/4.1=3, 428/3.5=1 Peak 2002 from cnoeabs.peaks (7.52, 4.53, 53.96 ppm; 3.81 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 H LEU 43 + HA LYS 13 OK 60 92 - 65 - 620=18, 3.9/2017=9...(18) H LEU 51 - HA LEU 43 OK 31 97 - 33 - 2030/4.1=6, 2009/3.0=6...(9) H ARG 54 - HA LEU 43 OK 22 97 - 22 - 2009/3.0=4, 2016/3.0=4...(8) H LEU 51 - HA LYS 13 lone 7 86 - 8 - 2037/2038=1, 2030/2031=1 H ARG 54 - HA LYS 13 lone 5 87 - 6 - HD21 ASN 80 - HA LEU 43 lone 5 71 - 6 - 6020/4.1=1 HD21 ASN 80 - HA LYS 13 lone 1 60 - 2 - Peak 2003 from cnoeabs.peaks (4.53, 4.53, 53.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 HA LYS 13 + HA LYS 13 OK 89 89 - 100 Peak 2004 from cnoeabs.peaks (1.72, 4.53, 53.96 ppm; 4.02 A): 2 out of 24 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 HB2 LEU 43 + HA LYS 13 OK 72 92 - 78 - 2010=17, 1.8/2017=16...(25) HB3 LEU 64 - HA LEU 43 OK 40 65 - 61 - ~4694=7, 2018/3.0=6...(26) HB2 LEU 29 - HA LEU 43 OK 33 99 - 33 - 2018/3.0=5, 2032/4.1=4...(15) HB3 LYS 85 - HA LYS 13 OK 30 92 - 32 - 2.9/1030=3, 5995/3.0=3...(11) HB3 LYS 85 - HA LEU 43 OK 29 100 - 29 - 2018/3.0=4, 621/3.0=3...(12) HB2 LEU 62 - HA LEU 43 OK 20 78 - 26 - 2018/3.0=3, 2576/4.1=3...(12) HB2 LEU 29 - HA LYS 13 OK 12 89 - 14 - 1487/3.0=2 HB3 LYS 83 - HA LEU 43 OK 11 99 - 11 - 621/3.0=1, 2018/3.0=1 HB3 LYS 83 - HA LYS 13 lone 8 90 - 9 - HB2 ARG 84 - HA LEU 43 lone 8 100 - 8 - 2018/3.0=1, 621/3.0=1 HB3 LEU 64 - HA LYS 13 poor 6 55 - 12 - 2632/2038=1 HG2 ARG 70 - HA LEU 43 lone 6 90 - 6 - HG3 ARG 66 - HA LEU 43 lone 5 60 - 8 - HB2 ARG 84 - HA LYS 13 lone 4 92 - 5 - HB2 LEU 62 - HA LYS 13 lone 4 67 - 6 - HG2 ARG 70 - HA LYS 13 lone 3 79 - 3 - HG3 ARG 26 - HA LEU 43 lone 2 73 - 3 - HB3 ARG 17 - HA LEU 43 lone 2 85 - 2 - HG3 ARG 71 - HA LEU 43 lone 2 65 - 2 - HG3 ARG 66 - HA LYS 13 lone 1 50 - 3 - HB3 ARG 17 - HA LYS 13 lone 1 73 - 2 - HG3 ARG 26 - HA LYS 13 lone 1 62 - 1 - HG3 ARG 71 - HA LYS 13 lone 1 55 - 2 - Peak 2005 from cnoeabs.peaks (1.44, 4.53, 53.96 ppm; 3.64 A): 6 out of 14 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 HG2 LYS 13 + HA LYS 13 OK 72 82 - 88 - 3.9=81, 470/3.0=9...(8) HG3 LYS 13 + HA LYS 13 OK 64 73 - 87 - 3.9=81, 471/3.0=7...(7) HB3 LEU 43 + HA LYS 13 OK 64 92 - 69 - 2017=15, 3.1/2038=12...(21) HG2 LYS 13 + HA LEU 43 OK 54 93 - 58 - 3.0/1010=9, 1020=7...(21) HG3 LYS 13 + HA LEU 43 OK 47 85 - 55 - 3.0/1010=9, 1.8/1020=8...(20) HG13 ILE 89 - HA LEU 43 OK 37 100 - 37 - 2012/3.0=5, 2033/4.1=4...(17) HG3 LYS 85 - HA LEU 43 OK 19 90 - 21 - 2012/3.0=2, 622/3.0=2...(13) HG3 LYS 85 - HA LYS 13 OK 18 79 - 23 - 1030=2, 1014/3.0=2...(8) HG13 ILE 89 - HA LYS 13 OK 17 92 - 19 - 1013/3.0=2, 470/3.0=2...(9) QB ALA 30 - HA LEU 43 OK 14 99 - 14 - 4843/3.0=3, 2033/4.1=2...(7) HG12 ILE 33 - HA LEU 43 OK 13 99 - 13 - 2033/4.1=2, 2012/3.0=2...(4) HG12 ILE 33 - HA LYS 13 OK 11 90 - 12 - ~4222=2, 1013/3.0=1, 1024/3.9=1 QB ALA 30 - HA LYS 13 lone 7 89 - 8 - ~4842=1 Peak 2006 from cnoeabs.peaks (1.99, 4.53, 53.96 ppm; 4.03 A): 7 out of 20 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 95 100 - 95 - 4.3=85, 2.1/2038=27...(10) HG LEU 43 + HA LYS 13 OK 60 92 - 65 - 2.1/2038=17, 2.1/2031=13...(18) HG2 PRO 14 + HA LEU 43 OK 60 100 - 60 - 2.3/4802=15, 2.3/4801=15...(16) HG3 PRO 14 + HA LEU 43 OK 60 100 - 60 - 2.3/4802=15, 2.3/4801=15...(16) HG3 PRO 14 + HA LYS 13 OK 55 91 - 60 - 2.3/4802=26, 2.3/4801=26...(8) HG2 PRO 14 + HA LYS 13 OK 55 91 - 60 - 2.3/4802=26, 2.3/4801=26...(8) HB2 LEU 64 + HA LEU 43 OK 52 89 - 58 - ~4694=7, 2625/4.1=6...(22) QE MET 31 - HA LEU 43 OK 30 100 - 31 - 5074/4.1=8, 5073/4.1=7...(8) HB2 LEU 64 - HA LYS 13 OK 12 77 - 15 - 2625/2038=1, 1089/3.8=1...(4) QE MET 31 - HA LYS 13 poor 10 92 - 11 - 5073/2038=2, 5074/2031=1...(4) HG2 ARG 66 - HA LEU 43 lone 5 78 - 7 - HB3 MET 11 - HA LYS 13 lone 5 75 - 7 - 1090/3.8=2, 1083/3.8=2 HG2 ARG 66 - HA LYS 13 lone 4 67 - 6 - 1090/3.8=1, 1082/3.8=1 HB3 GLN 79 - HA LYS 13 lone 4 90 - 4 - HB3 GLN 79 - HA LEU 43 lone 4 99 - 3 - HB2 GLN 79 - HA LEU 43 lone 3 78 - 3 - HB2 GLN 79 - HA LYS 13 lone 2 67 - 4 - HB3 MET 11 - HA LEU 43 lone 2 87 - 3 - HB VAL 90 - HA LYS 13 lone 1 48 - 3 - HB VAL 90 - HA LEU 43 lone 1 57 - 2 - Peak 2007 from cnoeabs.peaks (0.83, 4.53, 53.96 ppm; 4.36 A): 4 out of 14 assignments used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 - 100 - 4.1=100 QD1 LEU 43 + HA LYS 13 OK 69 92 - 74 - 2031=20, 2.1/2038=18...(19) QD2 LEU 64 + HA LEU 43 OK 57 92 - 62 - 2646/4.1=9, 5029/3.0=8...(21) QG2 ILE 89 + HA LEU 43 OK 49 96 - 51 - 3617/4.1=8, 3616/3.0=6...(19) QD1 ILE 89 - HA LEU 43 OK 40 85 - 47 - 3635/4.1=7, 5274/3.0=6...(17) QD2 LEU 29 - HA LEU 43 OK 30 92 - 33 - 2014/3.0=4, 2021/3.0=4...(14) QG2 ILE 89 - HA LYS 13 OK 28 85 - 32 - 4040/3.0=4, 3616/3.9=3...(17) QD1 ILE 89 - HA LYS 13 OK 22 73 - 30 - 5274/3.9=4, 3637/3.9=2...(12) QD2 LEU 86 - HA LEU 43 OK 16 100 - 16 - 2014/3.0=2, 2021/3.0=2...(7) QD2 LEU 64 - HA LYS 13 OK 16 81 - 19 - 2646/2038=2, 5029/2017=1...(7) QG2 ILE 68 - HA LEU 43 OK 13 81 - 16 - 624/3.0=2, 2014/3.0=2...(6) QD2 LEU 29 - HA LYS 13 OK 11 81 - 14 - 1515/3.0=1, 3.1/2004=1 QD2 LEU 86 - HA LYS 13 lone 8 92 - 9 - 4.8/989=1 QG2 ILE 68 - HA LYS 13 lone 6 69 - 9 - 4751/3.8=3 Peak 2008 from cnoeabs.peaks (0.94, 4.53, 53.96 ppm; 3.21 A): 4 out of 16 assignments used, quality = 0.94: * QD2 LEU 43 + HA LEU 43 OK 74 100 - 74 - 4.1=49, 4388/3.8=10...(12) QD2 LEU 43 + HA LYS 13 OK 49 92 - 53 - 2038=19, 2.1/2031=8...(14) QD1 LEU 64 + HA LEU 43 OK 38 97 - 39 - 2022/3.0=5, 2015/3.0=5...(19) QG2 ILE 40 + HA LEU 43 OK 29 92 - 32 - 3.2/4374=4, 4302/3.0=4...(13) QD2 LEU 62 - HA LEU 43 OK 16 92 - 18 - 2015/3.0=2, 2022/3.0=2...(7) QG2 VAL 41 - HA LEU 43 OK 14 97 - 14 - 625/3.0=3, ~5630=3...(6) QG2 ILE 40 - HA LYS 13 poor 9 81 - 11 - 1937/3.8=2, 4303/3.0=1 QD1 LEU 64 - HA LYS 13 lone 7 87 - 8 - HG12 ILE 68 - HA LEU 43 lone 6 73 - 8 - QD2 LEU 62 - HA LYS 13 lone 5 81 - 6 - 5957/3.8=2 QG2 VAL 41 - HA LYS 13 lone 4 87 - 5 - QG2 VAL 76 - HA LEU 43 lone 3 73 - 4 - QG1 VAL 76 - HA LEU 43 lone 3 73 - 4 - HG12 ILE 68 - HA LYS 13 lone 2 62 - 3 - QG2 VAL 76 - HA LYS 13 lone 1 62 - 1 - QG1 VAL 76 - HA LYS 13 lone 1 62 - 1 - Peak 2009 from cnoeabs.peaks (7.52, 1.72, 42.41 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.9=99, 622/1.8=17...(13) H LEU 51 - HB2 LEU 43 OK 37 97 - 39 - 2030/3.1=9, 2016/1.8=8...(10) H ARG 54 - HB2 LEU 43 OK 26 97 - 27 - 2016/1.8=6, 2030/3.1=5...(9) HD21 ASN 80 - HB2 LEU 43 lone 6 71 - 8 - 6020/3.1=1, 2016/1.8=1 Peak 2010 from cnoeabs.peaks (4.53, 1.72, 42.41 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 HA LYS 13 + HB2 LEU 43 OK 80 99 - 82 - 2017/1.8=18, 2038/3.1=16...(27) Peak 2011 from cnoeabs.peaks (1.72, 1.72, 42.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 2012 from cnoeabs.peaks (1.44, 1.72, 42.41 ppm; 3.28 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 1.8=100 HG2 LYS 13 + HB2 LEU 43 OK 49 93 - 53 - 3.9/2010=6, 1024/1.8=6...(26) HG13 ILE 89 - HB2 LEU 43 OK 45 100 - 45 - 2033/3.1=4, 2040/3.1=4...(23) HG3 LYS 13 - HB2 LEU 43 OK 43 85 - 51 - 3.9/2010=6, 1033/1.8=4...(26) HG3 LYS 85 - HB2 LEU 43 OK 20 90 - 22 - 2033/3.1=2, ~2018=2...(10) QB ALA 30 - HB2 LEU 43 OK 19 99 - 19 - 2.9/81=3, 4843=2...(9) HG12 ILE 33 - HB2 LEU 43 OK 15 99 - 15 - 2033/3.1=2, 2040/3.1=1...(5) Peak 2013 from cnoeabs.peaks (1.99, 1.72, 42.41 ppm; 4.12 A): 5 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HB2 LEU 43 OK 71 89 - 80 - 2625/3.1=8, 2624/3.1=8...(44) HG2 PRO 14 + HB2 LEU 43 OK 67 100 - 68 - ~4802=7, ~4801=7...(34) HG3 PRO 14 + HB2 LEU 43 OK 67 100 - 68 - ~4802=7, ~4801=7...(34) QE MET 31 + HB2 LEU 43 OK 46 100 - 47 - 5074/3.1=10, 5073/3.1=9...(15) HG2 ARG 66 - HB2 LEU 43 poor 9 78 - 12 - HB3 GLN 79 - HB2 LEU 43 lone 4 99 - 4 - HB2 GLN 79 - HB2 LEU 43 lone 3 78 - 4 - HB3 MET 11 - HB2 LEU 43 lone 3 87 - 3 - HB VAL 90 - HB2 LEU 43 lone 1 57 - 2 - Peak 2014 from cnoeabs.peaks (0.83, 1.72, 42.41 ppm; 3.62 A): 4 out of 7 assignments used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB2 LEU 43 OK 63 92 - 68 - 2646/3.1=8, 5029/1.8=7...(36) QG2 ILE 89 + HB2 LEU 43 OK 54 96 - 57 - 3617/3.1=8, 3616/1.8=6...(28) QD1 ILE 89 + HB2 LEU 43 OK 45 85 - 54 - 3635/3.1=7, 5274/1.8=6...(26) QD2 LEU 29 - HB2 LEU 43 OK 38 92 - 41 - 2.1/1499=5, 1513=4...(20) QD2 LEU 86 - HB2 LEU 43 OK 19 100 - 19 - 2021/1.8=2, 1513=2...(4) QG2 ILE 68 - HB2 LEU 43 OK 15 81 - 19 - 2021/1.8=2, 2042/3.1=2...(5) Peak 2015 from cnoeabs.peaks (0.94, 1.72, 42.41 ppm; 3.94 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.1=100 QD1 LEU 64 + HB2 LEU 43 OK 74 97 - 76 - 2022/1.8=9, 2652/3.1=9...(39) QG2 ILE 40 + HB2 LEU 43 OK 52 92 - 56 - 4302/1.8=7, 2036/3.1=6...(25) QD2 LEU 62 - HB2 LEU 43 OK 39 92 - 43 - 2022/1.8=5, 2594=4...(19) QG2 VAL 41 - HB2 LEU 43 OK 25 97 - 26 - 4.1/5635=6, 625/3.9=4...(8) HG12 ILE 68 - HB2 LEU 43 OK 15 73 - 20 - ~5252=2, 2022/1.8=2...(6) QG2 VAL 76 - HB2 LEU 43 lone 6 73 - 8 - QG1 VAL 76 - HB2 LEU 43 lone 6 73 - 8 - Peak 2016 from cnoeabs.peaks (7.52, 1.44, 42.41 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.9=100 H LEU 51 - HB3 LEU 43 OK 40 97 - 41 - 2030/3.1=9, 2009/1.8=9...(9) H ARG 54 - HB3 LEU 43 OK 28 97 - 29 - 2009/1.8=6, 2030/3.1=5...(9) HD21 ASN 80 - HB3 LEU 43 lone 6 71 - 8 - 6020/3.1=2, 2009/1.8=1 Peak 2017 from cnoeabs.peaks (4.53, 1.44, 42.41 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 HA LYS 13 + HB3 LEU 43 OK 75 99 - 76 - 2010/1.8=15, 2038/3.1=14...(26) Peak 2018 from cnoeabs.peaks (1.72, 1.44, 42.41 ppm; 3.37 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 1.8=100 HB3 LEU 64 - HB3 LEU 43 OK 41 65 - 63 - 3.1/2022=5, 3.1/5029=5...(40) HB2 LEU 29 - HB3 LEU 43 OK 36 99 - 37 - 2032/3.1=4, 2039/3.1=3...(17) HB3 LYS 85 - HB3 LEU 43 OK 29 100 - 29 - 3448=3, 2032/3.1=2...(11) HB2 LEU 62 - HB3 LEU 43 OK 23 78 - 30 - 2576/3.1=3, 3.1/2022=3...(13) HB3 LYS 83 - HB3 LEU 43 OK 10 99 - 10 - 3448=1 HB2 ARG 84 - HB3 LEU 43 lone 8 100 - 8 - HG2 ARG 70 - HB3 LEU 43 lone 6 90 - 6 - HG3 ARG 66 - HB3 LEU 43 lone 5 60 - 8 - HG3 ARG 26 - HB3 LEU 43 lone 2 73 - 3 - HG3 ARG 71 - HB3 LEU 43 lone 2 65 - 3 - HB3 ARG 17 - HB3 LEU 43 lone 2 85 - 2 - Peak 2019 from cnoeabs.peaks (1.44, 1.44, 42.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 2020 from cnoeabs.peaks (1.99, 1.44, 42.41 ppm; 4.23 A): 5 out of 10 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 HB2 LEU 64 + HB3 LEU 43 OK 72 89 - 82 - 2625/3.1=8, 2624/3.1=8...(42) HG2 PRO 14 + HB3 LEU 43 OK 70 100 - 70 - ~4802=8, ~4801=8...(34) HG3 PRO 14 + HB3 LEU 43 OK 70 100 - 70 - ~4802=8, ~4801=8...(34) QE MET 31 + HB3 LEU 43 OK 54 100 - 55 - 5074/3.1=10, 5073/3.1=9...(18) HG2 ARG 66 - HB3 LEU 43 poor 10 78 - 12 - 2013/1.8=1 HB3 GLN 79 - HB3 LEU 43 lone 4 99 - 4 - HB2 GLN 79 - HB3 LEU 43 lone 3 78 - 4 - HB3 MET 11 - HB3 LEU 43 lone 3 87 - 3 - HB VAL 90 - HB3 LEU 43 lone 1 57 - 2 - Peak 2021 from cnoeabs.peaks (0.83, 1.44, 42.41 ppm; 3.70 A): 4 out of 7 assignments used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 43 OK 68 92 - 74 - 5029=9, 2646/3.1=9...(39) QG2 ILE 89 + HB3 LEU 43 OK 61 96 - 64 - 3616=8, 3617/3.1=8...(30) QD1 ILE 89 + HB3 LEU 43 OK 52 85 - 61 - 3635/3.1=7, 3637=7...(31) QD2 LEU 29 - HB3 LEU 43 OK 37 92 - 41 - 2014/1.8=4, 3.1/2018=4...(20) QD2 LEU 86 - HB3 LEU 43 OK 19 100 - 19 - 2014/1.8=2, 2042/3.1=2...(4) QG2 ILE 68 - HB3 LEU 43 OK 16 81 - 20 - 2014/1.8=2, 2042/3.1=2...(5) Peak 2022 from cnoeabs.peaks (0.94, 1.44, 42.41 ppm; 3.86 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.1=100 QD1 LEU 64 + HB3 LEU 43 OK 71 97 - 73 - 2015/1.8=8, 2652/3.1=8...(37) QG2 ILE 40 + HB3 LEU 43 OK 52 92 - 57 - 2015/1.8=6, 4302=6...(25) QD2 LEU 62 - HB3 LEU 43 OK 36 92 - 39 - 2015/1.8=4, 2036/3.1=3...(18) QG2 VAL 41 - HB3 LEU 43 OK 20 97 - 20 - 625/3.9=4, 2015/1.8=3...(6) HG12 ILE 68 - HB3 LEU 43 OK 14 73 - 19 - ~5252=2, 2015/1.8=2...(6) QG2 VAL 76 - HB3 LEU 43 lone 6 73 - 7 - QG1 VAL 76 - HB3 LEU 43 lone 6 73 - 7 - Peak 2023 from cnoeabs.peaks (7.52, 1.99, 26.77 ppm; 4.12 A): 4 out of 12 assignments used, quality = 0.96: * H LEU 43 + HG LEU 43 OK 83 100 - 83 - 5.3=48, 2030/2.1=19...(10) H LEU 51 + HG LEU 43 OK 44 97 - 45 - 4.5/5641=12, 2030/2.1=11...(8) H LEU 43 + HG2 PRO 14 OK 36 63 - 58 - 4372/2.3=12, 623=10...(14) H LEU 43 + HG3 PRO 14 OK 36 63 - 58 - 4372/2.3=12, 623=10...(14) H ARG 54 - HG LEU 43 OK 29 97 - 30 - 2030/2.1=7, 2037/2.1=6...(8) HD21 ASN 80 - HG LEU 43 lone 6 71 - 9 - 6020/2.1=2, 2030/2.1=1...(5) H LEU 51 - HG2 PRO 14 lone 4 57 - 7 - 4.5/5641=2 H LEU 51 - HG3 PRO 14 lone 4 57 - 7 - 4.5/5641=2 H ARG 54 - HG2 PRO 14 lone 2 58 - 4 - H ARG 54 - HG3 PRO 14 lone 2 58 - 4 - HD21 ASN 80 - HG3 PRO 14 lone 1 37 - 2 - HD21 ASN 80 - HG2 PRO 14 lone 1 37 - 2 - Peak 2024 from cnoeabs.peaks (4.53, 1.99, 26.77 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 - 100 - 4.3=100 HA LYS 13 + HG LEU 43 OK 73 99 - 74 - 2038/2.1=19, 2031/2.1=16...(21) HA LEU 43 - HG3 PRO 14 OK 43 63 - 69 - 4802/2.3=17, 4801/2.3=17...(16) HA LEU 43 - HG2 PRO 14 OK 43 63 - 69 - 4802/2.3=17, 4801/2.3=17...(16) HA LYS 13 - HG2 PRO 14 OK 40 60 - 67 - 4802/2.3=29, 4801/2.3=28...(11) HA LYS 13 - HG3 PRO 14 OK 40 60 - 67 - 4802/2.3=29, 4801/2.3=28...(11) Peak 2025 from cnoeabs.peaks (1.72, 1.99, 26.77 ppm; 4.12 A): 3 out of 36 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HG LEU 43 OK 53 65 - 82 - 2632/2.1=8, ~2625=8...(38) HB2 LEU 29 + HG LEU 43 OK 47 99 - 48 - 2032/2.1=6, 2039/2.1=5...(21) HB2 LEU 43 - HG3 PRO 14 OK 44 63 - 70 - 2013=9, ~4802=7, ~4801=7...(34) HB2 LEU 43 - HG2 PRO 14 OK 44 63 - 70 - 2013=9, ~4802=7, ~4801=7...(34) HB2 LEU 62 - HG LEU 43 OK 36 78 - 46 - 2576/2.1=5, 2032/2.1=4...(23) HB3 LYS 85 - HG LEU 43 OK 33 100 - 33 - 2018/3.0=4, 2032/2.1=4...(13) HB3 LYS 83 - HG LEU 43 OK 13 99 - 13 - 2032/2.1=2, 3.0/4390=2...(5) HB2 ARG 84 - HG LEU 43 lone 10 100 - 10 - 2032/2.1=1, 2039/2.1=1 HB3 LEU 64 - HG2 PRO 14 poor 10 34 - 28 - 3.1/2642=2, 3.1/5023=2...(18) HB3 LEU 64 - HG3 PRO 14 poor 10 34 - 28 - 3.1/2642=2, 3.1/5023=2...(18) HG3 ARG 66 - HG3 PRO 14 poor 9 31 - 31 - 2710/1.8=2, ~1088=2...(20) HG3 ARG 66 - HG2 PRO 14 poor 9 31 - 31 - 2710/1.8=2, ~1088=2...(20) HG2 ARG 70 - HG LEU 43 lone 8 90 - 9 - 2032/2.1=1, 2039/2.1=1 HG3 ARG 66 - HG LEU 43 poor 8 60 - 14 - HB2 LEU 62 - HG2 PRO 14 lone 4 42 - 10 - ~5957=3, ~5960=1 HB2 LEU 62 - HG3 PRO 14 lone 4 42 - 10 - ~5957=3, ~5960=1 HG3 ARG 26 - HG LEU 43 lone 4 73 - 5 - HB3 LYS 85 - HG3 PRO 14 lone 4 62 - 6 - ~4820=1 HB3 LYS 85 - HG2 PRO 14 lone 4 62 - 6 - ~4820=1 HG3 ARG 71 - HG LEU 43 lone 3 65 - 5 - HB2 LEU 29 - HG2 PRO 14 lone 3 60 - 5 - HB2 LEU 29 - HG3 PRO 14 lone 3 60 - 5 - HB3 ARG 17 - HG LEU 43 lone 3 85 - 3 - HG3 ARG 26 - HG2 PRO 14 lone 3 39 - 7 - HG3 ARG 26 - HG3 PRO 14 lone 3 39 - 7 - HB3 LYS 83 - HG2 PRO 14 lone 2 60 - 3 - HB3 LYS 83 - HG3 PRO 14 lone 2 60 - 3 - HG2 ARG 70 - HG2 PRO 14 lone 2 51 - 3 - HG2 ARG 70 - HG3 PRO 14 lone 2 51 - 3 - HB2 ARG 84 - HG3 PRO 14 lone 2 62 - 3 - HB2 ARG 84 - HG2 PRO 14 lone 2 62 - 3 - HG3 ARG 71 - HG2 PRO 14 lone 1 34 - 2 - HG3 ARG 71 - HG3 PRO 14 lone 1 34 - 2 - HB3 ARG 17 - HG3 PRO 14 lone 1 47 - 1 - HB3 ARG 17 - HG2 PRO 14 lone 1 47 - 1 - Peak 2026 from cnoeabs.peaks (1.44, 1.99, 26.77 ppm; 4.23 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.0=100 HG13 ILE 89 + HG LEU 43 OK 62 100 - 62 - 2033/2.1=8, 2040/2.1=7...(21) HG2 LYS 13 + HG LEU 43 OK 52 93 - 56 - 1020/4.3=7, 2040/2.1=7...(19) HB3 LEU 43 + HG3 PRO 14 OK 45 63 - 72 - 2020=9, ~4802=8, ~4801=8...(34) HB3 LEU 43 + HG2 PRO 14 OK 45 63 - 72 - 2020=9, ~4802=8, ~4801=8...(34) HG3 LYS 13 - HG LEU 43 OK 44 85 - 52 - 2012/3.0=6, 2040/2.1=6...(17) QB ALA 30 - HG LEU 43 OK 27 99 - 27 - 4.9/5189=4, 4843/3.0=4...(12) HG3 LYS 85 - HG LEU 43 OK 26 90 - 29 - 3.8/4390=3, 2033/2.1=3...(13) HG12 ILE 33 - HG LEU 43 OK 24 99 - 24 - ~6122=4, 2033/2.1=3...(9) HG2 LYS 13 - HG2 PRO 14 OK 14 54 - 27 - ~4820=8, ~4813=7...(6) HG2 LYS 13 - HG3 PRO 14 OK 14 54 - 27 - ~4820=8, ~4813=7...(6) HG3 LYS 13 - HG3 PRO 14 OK 12 47 - 26 - ~4820=8, ~4813=7...(6) HG3 LYS 13 - HG2 PRO 14 OK 12 47 - 26 - ~4820=8, ~4813=7...(6) HG3 LYS 85 - HG2 PRO 14 lone 2 51 - 5 - HG3 LYS 85 - HG3 PRO 14 lone 2 51 - 5 - QB ALA 30 - HG3 PRO 14 lone 2 60 - 4 - QB ALA 30 - HG2 PRO 14 lone 2 60 - 4 - HG13 ILE 89 - HG2 PRO 14 lone 2 62 - 3 - HG13 ILE 89 - HG3 PRO 14 lone 2 62 - 3 - HG12 ILE 33 - HG2 PRO 14 lone 2 60 - 3 - HG12 ILE 33 - HG3 PRO 14 lone 2 60 - 3 - Peak 2027 from cnoeabs.peaks (1.99, 1.99, 26.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 HG3 PRO 14 + HG3 PRO 14 OK 62 62 - 100 HG2 PRO 14 + HG2 PRO 14 OK 62 62 - 100 Peak 2028 from cnoeabs.peaks (0.83, 1.99, 26.77 ppm; 2.99 A): 2 out of 21 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + HG LEU 43 OK 51 92 - 56 - 2646/2.1=8, 2642=5...(29) QG2 ILE 89 - HG LEU 43 OK 39 96 - 41 - 3617/2.1=8, 2042/2.1=5...(22) QD1 ILE 89 - HG LEU 43 OK 32 85 - 38 - 3635/2.1=7, 2042/2.1=4...(19) QD1 LEU 43 - HG2 PRO 14 OK 26 63 - 41 - 2034=7, 2034/1.8=5...(20) QD1 LEU 43 - HG3 PRO 14 OK 26 63 - 41 - 2034=7, 2034/1.8=5...(20) QD2 LEU 29 - HG LEU 43 OK 22 92 - 24 - 2042/2.1=3, 2014/3.0=2...(12) QD2 LEU 86 - HG LEU 43 OK 11 100 - 11 - 2042/2.1=2, 2014/3.0=1 QG2 ILE 68 - HG LEU 43 OK 10 81 - 13 - 2.9/5252=2, 2042/2.1=2 QD2 LEU 64 - HG2 PRO 14 poor 8 52 - 16 - 2642=2, 2642/1.8=1...(4) QD2 LEU 64 - HG3 PRO 14 poor 8 52 - 16 - 2642=2, 2642/1.8=1...(4) QG2 ILE 68 - HG2 PRO 14 poor 8 44 - 18 - 2.9/5252=3, 4751/2.3=2...(7) QG2 ILE 68 - HG3 PRO 14 poor 8 44 - 18 - 2.9/5252=3, 4751/2.3=2...(7) QD2 LEU 29 - HG3 PRO 14 lone 1 52 - 3 - QD2 LEU 29 - HG2 PRO 14 lone 1 52 - 3 - QG2 ILE 89 - HG3 PRO 14 lone 1 56 - 2 - QG2 ILE 89 - HG2 PRO 14 lone 1 56 - 2 - QD2 LEU 86 - HG2 PRO 14 lone 1 62 - 1 - QD2 LEU 86 - HG3 PRO 14 lone 1 62 - 1 - QD1 ILE 89 - HG3 PRO 14 lone 1 47 - 2 - QD1 ILE 89 - HG2 PRO 14 lone 1 47 - 2 - Peak 2029 from cnoeabs.peaks (0.94, 1.99, 26.77 ppm; 3.51 A): 2 out of 24 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + HG LEU 43 OK 68 97 - 70 - 2652/2.1=9, 5023=8...(33) QG2 ILE 40 - HG LEU 43 OK 42 92 - 46 - 2036/2.1=6, 3.2/5125=6...(21) QD2 LEU 43 - HG2 PRO 14 OK 32 63 - 51 - 2041=7, 2041/1.8=6...(28) QD2 LEU 43 - HG3 PRO 14 OK 32 63 - 51 - 2041=7, 2041/1.8=6...(28) QD2 LEU 62 - HG LEU 43 OK 32 92 - 34 - 2036/2.1=4, 2015/3.0=3...(15) QG2 ILE 40 - HG3 PRO 14 OK 15 52 - 28 - 1937/2.3=3, 3.2/5125=3...(12) QG2 ILE 40 - HG2 PRO 14 OK 15 52 - 28 - 1937/2.3=3, 3.2/5125=3...(12) QG2 VAL 41 - HG LEU 43 OK 13 97 - 14 - 2036/2.1=2, 625/5.3=2...(5) QD1 LEU 64 - HG2 PRO 14 OK 13 58 - 21 - 5023=2, 5023/1.8=2...(8) QD1 LEU 64 - HG3 PRO 14 OK 13 58 - 21 - 5023=2, 5023/1.8=2...(8) HG12 ILE 68 - HG LEU 43 OK 12 73 - 17 - 2.1/5252=4, 2036/2.1=2...(5) HG12 ILE 68 - HG3 PRO 14 poor 9 39 - 23 - 2.1/5252=5, ~5252=3...(10) HG12 ILE 68 - HG2 PRO 14 poor 9 39 - 23 - 2.1/5252=5, ~5252=3...(10) QD2 LEU 62 - HG2 PRO 14 lone 5 52 - 10 - 5957/2.3=3, ~5960=1 QD2 LEU 62 - HG3 PRO 14 lone 5 52 - 10 - 5957/2.3=3, ~5960=1 QG2 VAL 76 - HG LEU 43 lone 4 73 - 5 - QG1 VAL 76 - HG LEU 43 lone 4 73 - 5 - QG2 VAL 41 - HG3 PRO 14 lone 2 58 - 4 - 5130/2.3=1 QG2 VAL 41 - HG2 PRO 14 lone 2 58 - 4 - 5130/2.3=1 QG2 VAL 76 - HG2 PRO 14 lone 0 39 - 1 - QG2 VAL 76 - HG3 PRO 14 lone 0 39 - 1 - QG1 VAL 76 - HG2 PRO 14 lone 0 39 - 1 - QG1 VAL 76 - HG3 PRO 14 lone 0 39 - 1 - Peak 2030 from cnoeabs.peaks (7.52, 0.83, 26.57 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 43 + QD1 LEU 43 OK 85 100 - 85 - 4.8=52, 2009/3.1=16...(16) H LEU 51 + QD1 LEU 43 OK 51 97 - 53 - 4.5/4917=21, 2037/2.1=9...(11) H ARG 54 + QD1 LEU 43 OK 29 97 - 30 - 2037/2.1=6, 2009/3.1=4...(8) HD21 ASN 80 - QD1 LEU 43 lone 6 71 - 8 - 6020/2.1=2, 2237/4917=1 Peak 2031 from cnoeabs.peaks (4.53, 0.83, 26.57 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 4.1=100 HA LYS 13 + QD1 LEU 43 OK 70 99 - 71 - 2038/2.1=19, 2017/3.1=14...(19) Peak 2032 from cnoeabs.peaks (1.72, 0.83, 26.57 ppm; 3.53 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.1=100 HB3 LEU 64 + QD1 LEU 43 OK 47 65 - 72 - 1.8/2624=8, 3.0/5357=8...(38) HB2 LEU 29 - QD1 LEU 43 OK 43 99 - 44 - 1489=6, 1.8/5214=5...(19) HB2 LEU 62 - QD1 LEU 43 OK 27 78 - 35 - 1.8/5214=5, 2576/2.1=4...(14) HB3 LYS 85 - QD1 LEU 43 OK 26 100 - 26 - 3.0/5357=3, 2018/3.1=3...(10) HB3 LYS 83 - QD1 LEU 43 OK 10 99 - 10 - 3.0/5357=2, 2018/3.1=1 HB2 ARG 84 - QD1 LEU 43 lone 10 100 - 10 - HG2 ARG 70 - QD1 LEU 43 lone 8 90 - 9 - 4.9/5831=1 HG3 ARG 66 - QD1 LEU 43 poor 6 60 - 10 - HG3 ARG 71 - QD1 LEU 43 lone 3 65 - 5 - HG3 ARG 26 - QD1 LEU 43 lone 3 73 - 5 - HB3 ARG 17 - QD1 LEU 43 lone 2 85 - 3 - Peak 2033 from cnoeabs.peaks (1.44, 0.83, 26.57 ppm; 3.18 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.1=100 HG13 ILE 89 + QD1 LEU 43 OK 48 100 - 48 - 2.1/3635=8, 3.2/3617=5...(21) HG2 LYS 13 - QD1 LEU 43 OK 37 93 - 40 - 3.9/2031=5, 2040/2.1=4...(17) HG3 LYS 13 - QD1 LEU 43 OK 31 85 - 37 - 3.9/2031=5, 2040/2.1=4...(16) HG12 ILE 33 - QD1 LEU 43 OK 21 99 - 21 - 2.1/6122=4, 3628=2...(6) QB ALA 30 - QD1 LEU 43 OK 20 99 - 20 - 3.6/4192=2, 2.9/85=2...(7) HG3 LYS 85 - QD1 LEU 43 OK 17 90 - 19 - 3.8/5357=2, 2.9/2032=2...(6) Peak 2034 from cnoeabs.peaks (1.99, 0.83, 26.57 ppm; 3.03 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 + QD1 LEU 43 OK 53 89 - 60 - 2624=6, 2041/2.1=6...(34) QE MET 31 - QD1 LEU 43 OK 39 100 - 39 - 5074=10, 5073/2.1=6...(13) HG2 PRO 14 - QD1 LEU 43 OK 39 100 - 39 - 2041/2.1=4, 2028=4...(20) HG3 PRO 14 - QD1 LEU 43 OK 39 100 - 39 - 2041/2.1=4, 2028=4...(20) HG2 ARG 66 - QD1 LEU 43 lone 5 78 - 7 - HB3 GLN 79 - QD1 LEU 43 lone 2 99 - 2 - HB3 MET 11 - QD1 LEU 43 lone 2 87 - 2 - HB2 GLN 79 - QD1 LEU 43 lone 2 78 - 2 - HB VAL 90 - QD1 LEU 43 lone 1 57 - 2 - Peak 2035 from cnoeabs.peaks (0.83, 0.83, 26.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 2036 from cnoeabs.peaks (0.94, 0.83, 26.57 ppm; 2.92 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + QD1 LEU 43 OK 57 97 - 59 - 2652=10, 5023/2.1=5...(26) QG2 ILE 40 - QD1 LEU 43 OK 38 92 - 41 - 4301/4917=5, 3.2/4703=4...(18) QD2 LEU 62 - QD1 LEU 43 OK 24 92 - 26 - 3.1/5214=3, 2.1/5214=2...(10) QG2 VAL 41 - QD1 LEU 43 OK 13 97 - 13 - 625/4.8=2, 2015/3.1=1 HG12 ILE 68 - QD1 LEU 43 OK 11 73 - 15 - ~5252=1, 1.8/2773=1, 2766=1 QG2 VAL 76 - QD1 LEU 43 lone 3 73 - 4 - QG1 VAL 76 - QD1 LEU 43 lone 3 73 - 4 - Peak 2037 from cnoeabs.peaks (7.52, 0.94, 22.80 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 43 + QD2 LEU 43 OK 91 100 - 91 - 4.8=61, 3.0/2038=24...(16) H LEU 51 + QD2 LEU 43 OK 53 97 - 55 - 4.5/4916=20, 2030/2.1=11...(11) H ARG 54 - QD2 LEU 43 OK 33 97 - 33 - 2030/2.1=7, 2009/3.1=5...(10) HD21 ASN 80 - QD2 LEU 43 poor 8 71 - 10 - 2030/2.1=1, 6020=1...(5) Peak 2038 from cnoeabs.peaks (4.53, 0.94, 22.80 ppm; 3.13 A): 2 out of 2 assignments used, quality = 0.84: * HA LEU 43 + QD2 LEU 43 OK 71 100 - 71 - 4.1=45, 3.8/4388=10...(12) HA LYS 13 + QD2 LEU 43 OK 44 99 - 45 - 2008=9, 2017/3.1=7...(14) Peak 2039 from cnoeabs.peaks (1.72, 0.94, 22.80 ppm; 3.91 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.1=100 HB3 LEU 64 + QD2 LEU 43 OK 53 65 - 80 - 1.8/2625=10, 3.1/2646=10...(36) HB2 LEU 29 - QD2 LEU 43 OK 45 99 - 45 - 2032/2.1=6, 2018/3.1=4...(20) HB2 LEU 62 - QD2 LEU 43 OK 36 78 - 46 - 2576=5, 1.8/5213=4...(22) HB3 LYS 85 - QD2 LEU 43 OK 30 100 - 31 - 2032/2.1=4, 2018/3.1=4...(11) HB3 LYS 83 - QD2 LEU 43 OK 11 99 - 11 - 2032/2.1=1, 2018/3.1=1, ~5357=1 HG2 ARG 70 - QD2 LEU 43 OK 10 90 - 11 - 2032/2.1=1 HB2 ARG 84 - QD2 LEU 43 OK 10 100 - 10 - 2032/2.1=1 HG3 ARG 66 - QD2 LEU 43 poor 8 60 - 13 - HG3 ARG 71 - QD2 LEU 43 lone 4 65 - 6 - HG3 ARG 26 - QD2 LEU 43 lone 4 73 - 5 - HB3 ARG 17 - QD2 LEU 43 lone 3 85 - 3 - Peak 2040 from cnoeabs.peaks (1.44, 0.94, 22.80 ppm; 3.60 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.1=100 HG13 ILE 89 + QD2 LEU 43 OK 52 100 - 52 - 2033/2.1=7, ~3635=5...(22) HG2 LYS 13 + QD2 LEU 43 OK 47 93 - 51 - 3.9/2038=9, 2033/2.1=5...(20) HG3 LYS 13 - QD2 LEU 43 OK 39 85 - 47 - 3.9/2038=9, 2033/2.1=4...(18) HG12 ILE 33 - QD2 LEU 43 OK 19 99 - 19 - 2033/2.1=3, ~6122=3...(7) HG3 LYS 85 - QD2 LEU 43 OK 19 90 - 21 - 2.9/2039=2, 2033/2.1=2...(10) QB ALA 30 - QD2 LEU 43 OK 19 99 - 19 - 2033/2.1=3, 4843/3.1=3...(7) Peak 2041 from cnoeabs.peaks (1.99, 0.94, 22.80 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 HB2 LEU 64 + QD2 LEU 43 OK 58 89 - 65 - 1.8/2632=8, 3.1/2646=7...(33) HG2 PRO 14 - QD2 LEU 43 OK 41 100 - 41 - 2034/2.1=5, 2013/3.1=3...(22) HG3 PRO 14 - QD2 LEU 43 OK 41 100 - 41 - 2034/2.1=5, 2013/3.1=3...(22) QE MET 31 - QD2 LEU 43 OK 37 100 - 37 - 5074/2.1=8, 5073=7...(16) HG2 ARG 66 - QD2 LEU 43 lone 6 78 - 8 - HB3 GLN 79 - QD2 LEU 43 lone 3 99 - 2 - HB2 GLN 79 - QD2 LEU 43 lone 2 78 - 2 - HB3 MET 11 - QD2 LEU 43 lone 2 87 - 2 - HB VAL 90 - QD2 LEU 43 lone 1 57 - 1 - Peak 2042 from cnoeabs.peaks (0.83, 0.94, 22.80 ppm; 2.76 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 QD2 LEU 64 + QD2 LEU 43 OK 47 92 - 52 - 2646=11, 3.1/2632=4...(23) QG2 ILE 89 - QD2 LEU 43 OK 35 96 - 37 - 3617/2.1=7, 2028/2.1=3...(16) QD1 ILE 89 - QD2 LEU 43 OK 29 85 - 35 - 3635/2.1=6, 2.1/2040=3...(15) QD2 LEU 29 - QD2 LEU 43 OK 21 92 - 23 - 3.1/2039=2, 2014/3.1=2...(8) QG2 ILE 68 - QD2 LEU 43 OK 12 81 - 15 - 2760=1 QD2 LEU 86 - QD2 LEU 43 OK 12 100 - 12 - Peak 2043 from cnoeabs.peaks (0.94, 0.94, 22.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 2045 from cnoeabs.peaks (2.48, 4.04, 50.94 ppm; 5.26 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HD2 PRO 44 OK 100 100 - 100 - 3.0=100 HB3 PRO 36 + HD2 PRO 44 OK 58 60 - 97 - 2087/2.3=17, 2080/2.3=17...(44) Peak 2046 from cnoeabs.peaks (2.09, 4.04, 50.94 ppm; 3.95 A): 7 out of 9 assignments used, quality = 1.00: * HB3 PRO 44 + HD2 PRO 44 OK 100 100 - 100 - 3.0=100 HG2 PRO 36 + HD2 PRO 44 OK 85 100 - 85 - 2.3/2048=10, 2.3/2045=7...(43) HG3 PRO 36 + HD2 PRO 44 OK 85 100 - 85 - 2.3/2048=10, 2.3/2045=7...(43) HB2 PRO 56 + HD2 PRO 44 OK 81 100 - 81 - 2403/2.3=7, 3.0/2050=7...(48) HG3 PRO 56 + HD2 PRO 44 OK 80 100 - 80 - 2.3/2050=8, 2.3/2050=8...(41) HB3 GLU 59 + HD2 PRO 44 OK 51 100 - 51 - 2489=6, 1.8/2489=5...(23) HB2 GLU 59 + HD2 PRO 44 OK 51 100 - 51 - 2495=6, 1.8/2489=5...(23) HB VAL 45 - HD2 PRO 44 OK 39 71 - 56 - 4415/3.6=13, ~5215=8...(19) HB3 MET 31 - HD2 PRO 44 OK 18 83 - 22 - 3.0/5645=2, ~1533=2...(11) Peak 2047 from cnoeabs.peaks (2.05, 4.04, 50.94 ppm; 3.91 A): 4 out of 16 assignments used, quality = 1.00: * HG2 PRO 44 + HD2 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HD2 PRO 44 OK 78 97 - 81 - 2089/2.3=9, 2.3/2050=8...(46) HB3 PRO 56 + HD2 PRO 44 OK 74 90 - 82 - 2089/2.3=8, 3.0/2050=7...(50) HB VAL 45 + HD2 PRO 44 OK 53 87 - 61 - 4415/3.6=16, ~5215=7...(18) HB3 GLU 50 - HD2 PRO 44 OK 18 99 - 18 - 4.7/5646=4, 2054/1.8=2...(5) HB2 GLU 50 - HD2 PRO 44 OK 18 99 - 18 - 4.7/5646=4, 2054/1.8=2...(5) HB3 MET 31 - HD2 PRO 44 OK 14 76 - 19 - 3.0/5645=2, ~1533=2...(8) HB2 GLU 25 - HD2 PRO 44 OK 13 99 - 13 - 4.0/5085=3, 3.0/2507=1 HB3 GLU 25 - HD2 PRO 44 OK 13 99 - 13 - 4.0/5085=3, 3.0/2507=1 HB VAL 76 - HD2 PRO 44 OK 11 100 - 10 - 2.1/4401=2, 2.1/4401=2...(4) HD3 ARG 69 - HD2 PRO 44 lone 5 89 - 6 - HD2 ARG 69 - HD2 PRO 44 lone 5 89 - 6 - HB3 GLU 19 - HD2 PRO 44 lone 2 98 - 2 - HB2 GLU 87 - HD2 PRO 44 lone 2 90 - 2 - HB3 GLN 91 - HD2 PRO 44 lone 2 99 - 2 - HB VAL 90 - HD2 PRO 44 lone 1 60 - 1 - Peak 2048 from cnoeabs.peaks (2.14, 4.04, 50.94 ppm; 3.93 A): 3 out of 4 assignments used, quality = 1.00: * HG3 PRO 44 + HD2 PRO 44 OK 100 100 - 100 - 2.3=100 HB2 PRO 36 + HD2 PRO 44 OK 79 90 - 87 - 2083/2.3=12, 2055/1.8=11...(44) HG3 GLN 61 + HD2 PRO 44 OK 51 81 - 63 - 1.8/4396=8, ~4397=8...(20) HB ILE 40 - HD2 PRO 44 OK 40 89 - 45 - 2.1/4401=7, 2055/1.8=5...(16) Peak 2049 from cnoeabs.peaks (4.04, 4.04, 50.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 44 + HD2 PRO 44 OK 100 100 - 100 Peak 2050 from cnoeabs.peaks (3.67, 4.04, 50.94 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 44 + HD2 PRO 44 OK 100 100 - 100 - 1.8=100 HD2 PRO 56 - HD2 PRO 44 OK 45 71 - 63 - 2092/2.3=5, 2.3/2047=4...(42) HD3 PRO 56 - HD2 PRO 44 OK 45 71 - 63 - 2092/2.3=5, 2.3/2047=4...(42) HA VAL 45 - HD2 PRO 44 OK 38 76 - 50 - ~156=6, 4414/3.6=6...(23) Peak 2052 from cnoeabs.peaks (2.48, 3.67, 50.94 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HD3 PRO 44 OK 100 100 - 100 - 3.0=100 HB3 PRO 36 + HD3 PRO 44 OK 57 60 - 95 - 2087/2.3=16, 2080/2.3=16...(42) Peak 2053 from cnoeabs.peaks (2.09, 3.67, 50.94 ppm; 3.99 A): 7 out of 9 assignments used, quality = 1.00: * HB3 PRO 44 + HD3 PRO 44 OK 100 100 - 100 - 3.0=100 HG2 PRO 36 + HD3 PRO 44 OK 86 100 - 86 - 2.3/2055=10, 2.3/2052=9...(43) HG3 PRO 36 + HD3 PRO 44 OK 86 100 - 86 - 2.3/2055=10, 2.3/2052=9...(43) HB2 PRO 56 + HD3 PRO 44 OK 77 100 - 77 - 2403/2.3=7, 1.8/2054=7...(44) HG3 PRO 56 + HD3 PRO 44 OK 74 100 - 75 - 1.8/2054=7, 2088/2.3=6...(37) HB3 GLU 59 + HD3 PRO 44 OK 47 100 - 47 - 2489/1.8=6, 3.0/2056=6...(21) HB2 GLU 59 + HD3 PRO 44 OK 47 100 - 47 - 2489/1.8=6, 3.0/2056=6...(21) HB VAL 45 - HD3 PRO 44 OK 42 71 - 59 - 4415/3.6=13, ~5215=8...(20) HB3 MET 31 - HD3 PRO 44 OK 19 83 - 23 - ~1533=2, ~5645=2...(14) Peak 2054 from cnoeabs.peaks (2.05, 3.67, 50.94 ppm; 3.97 A): 4 out of 16 assignments used, quality = 1.00: * HG2 PRO 44 + HD3 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HD3 PRO 44 OK 74 97 - 77 - 2089/2.3=9, 2047/1.8=7...(41) HB3 PRO 56 + HD3 PRO 44 OK 70 90 - 78 - 2089/2.3=8, 2047/1.8=7...(45) HB VAL 45 + HD3 PRO 44 OK 57 87 - 65 - 4415/3.6=16, ~5215=8...(20) HB3 GLU 50 - HD3 PRO 44 OK 17 99 - 17 - 4.7/5647=3, 2047/1.8=2...(5) HB2 GLU 50 - HD3 PRO 44 OK 17 99 - 17 - 4.7/5647=3, 2047/1.8=2...(5) HB3 MET 31 - HD3 PRO 44 OK 15 76 - 20 - ~1533=2, ~5645=2...(10) HB2 GLU 25 - HD3 PRO 44 OK 11 99 - 11 - 2047/1.8=1 HB3 GLU 25 - HD3 PRO 44 OK 11 99 - 11 - 2047/1.8=1 HB VAL 76 - HD3 PRO 44 OK 11 100 - 10 - 2.1/4404=2, 2.1/4404=2...(4) HD3 ARG 69 - HD3 PRO 44 lone 5 89 - 5 - HD2 ARG 69 - HD3 PRO 44 lone 5 89 - 5 - HB3 GLU 19 - HD3 PRO 44 lone 2 98 - 2 - HB3 GLN 91 - HD3 PRO 44 lone 2 99 - 2 - HB2 GLU 87 - HD3 PRO 44 lone 2 90 - 2 - HB VAL 90 - HD3 PRO 44 lone 1 60 - 2 - Peak 2055 from cnoeabs.peaks (2.14, 3.67, 50.94 ppm; 3.92 A): 3 out of 4 assignments used, quality = 1.00: * HG3 PRO 44 + HD3 PRO 44 OK 100 100 - 100 - 2.3=100 HB2 PRO 36 + HD3 PRO 44 OK 78 90 - 87 - 2083/2.3=12, 2048/1.8=11...(42) HG3 GLN 61 + HD3 PRO 44 OK 51 81 - 63 - 1.8/4397=11, ~2553=8...(20) HB ILE 40 - HD3 PRO 44 OK 39 89 - 44 - 2.1/4404=6, 2048/1.8=5...(15) Peak 2056 from cnoeabs.peaks (4.04, 3.67, 50.94 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HD2 PRO 44 + HD3 PRO 44 OK 100 100 - 100 - 1.8=100 HA PHE 48 + HD3 PRO 44 OK 57 98 - 58 - 2091/2.3=7, 2084/2.3=7...(22) HA GLU 59 - HD3 PRO 44 OK 30 99 - 30 - 2091/2.3=4, 2084/2.3=4...(14) HA ALA 63 - HD3 PRO 44 lone 4 73 - 6 - HB2 SER 22 - HD3 PRO 44 lone 4 65 - 6 - Peak 2057 from cnoeabs.peaks (3.67, 3.67, 50.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 44 + HD3 PRO 44 OK 100 100 - 100 Peak 2058 from cnoeabs.peaks (4.57, 4.57, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 44 + HA PRO 44 OK 100 100 - 100 Peak 2059 from cnoeabs.peaks (2.48, 4.57, 62.40 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HA PRO 44 OK 100 100 - 100 - 2.3=100 HB3 PRO 36 - HA PRO 44 OK 42 60 - 69 - 2065=12, 2073/2.3=10...(30) Peak 2060 from cnoeabs.peaks (2.09, 4.57, 62.40 ppm; 3.43 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 44 + HA PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HA PRO 44 OK 58 100 - 59 - 2.3/2059=10, ~2073=5...(26) HG3 PRO 36 + HA PRO 44 OK 58 100 - 59 - 2.3/2059=10, ~2073=5...(26) HB2 PRO 56 + HA PRO 44 OK 49 100 - 49 - 2403/3.8=4, 1.8/2061=4...(25) HB VAL 45 + HA PRO 44 OK 48 71 - 67 - 3.9/155=20, 2.1/5650=18...(16) HG3 PRO 56 - HA PRO 44 OK 45 100 - 45 - 1.8/2061=4, ~2075=4...(21) HB3 GLU 59 - HA PRO 44 OK 19 100 - 19 - 2495/3.6=3, ~2077=2...(9) HB2 GLU 59 - HA PRO 44 OK 19 100 - 19 - 2495/3.6=3, ~2077=2...(9) HB3 MET 31 - HA PRO 44 OK 12 83 - 14 - 2072=2, ~1533=2...(5) Peak 2061 from cnoeabs.peaks (2.05, 4.57, 62.40 ppm; 4.18 A): 4 out of 16 assignments used, quality = 1.00: * HG2 PRO 44 + HA PRO 44 OK 100 100 - 100 - 3.8=100 HB VAL 45 + HA PRO 44 OK 76 87 - 87 - 3.9/155=29, 2.1/5650=29...(16) HG2 PRO 56 + HA PRO 44 OK 58 97 - 60 - 2075/2.3=8, 2089/3.8=7...(23) HB3 PRO 56 + HA PRO 44 OK 54 90 - 60 - 2075/2.3=7, 2089/3.8=6...(24) HB3 MET 31 - HA PRO 44 OK 13 76 - 18 - ~1533=3, ~1551=2...(9) HB3 GLU 50 - HA PRO 44 lone 9 99 - 9 - 2047/3.6=1, 2054/3.6=1 HB2 GLU 50 - HA PRO 44 lone 9 99 - 9 - 2047/3.6=1, 2054/3.6=1 HB2 GLU 25 - HA PRO 44 lone 8 99 - 8 - HB3 GLU 25 - HA PRO 44 lone 8 99 - 8 - HB VAL 76 - HA PRO 44 lone 4 100 - 4 - HD3 ARG 69 - HA PRO 44 lone 3 89 - 3 - HD2 ARG 69 - HA PRO 44 lone 3 89 - 3 - HB3 GLU 19 - HA PRO 44 lone 2 98 - 2 - HB3 GLN 91 - HA PRO 44 lone 2 99 - 2 - HB2 GLU 87 - HA PRO 44 lone 1 90 - 1 - HB VAL 90 - HA PRO 44 lone 1 60 - 1 - Peak 2062 from cnoeabs.peaks (2.14, 4.57, 62.40 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 44 + HA PRO 44 OK 100 100 - 100 - 3.8=100 HB2 PRO 36 + HA PRO 44 OK 66 90 - 74 - 1.8/2059=14, 2076/2.3=12...(23) HG3 GLN 61 - HA PRO 44 OK 24 81 - 30 - 2076/2.3=6, 2055/3.6=5...(9) HB ILE 40 - HA PRO 44 OK 19 89 - 22 - 2076/2.3=4, 2048/3.6=4...(6) Peak 2065 from cnoeabs.peaks (4.57, 2.48, 32.30 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 2.3=100 HA PRO 44 - HB3 PRO 36 OK 42 56 - 74 - 2059=15, 2.3/2073=11...(31) HA LYS 13 - HB2 PRO 44 OK 12 65 - 18 - 2072/1.8=4, 2079/2.3=3...(6) HA LYS 13 - HB3 PRO 36 lone 1 30 - 3 - Peak 2066 from cnoeabs.peaks (2.48, 2.48, 32.30 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HB2 PRO 44 OK 100 100 - 100 HB3 PRO 36 - HB3 PRO 36 OK 27 27 - 100 Peak 2067 from cnoeabs.peaks (2.09, 2.48, 32.30 ppm; 2.73 A): 7 out of 18 assignments used, quality = 1.00: * HB3 PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 1.8=100 HG2 PRO 36 + HB2 PRO 44 OK 60 100 - 60 - 2.3/1782=4, 2088/2.3=4...(38) HG3 PRO 36 + HB2 PRO 44 OK 60 100 - 60 - 2.3/1782=4, 2088/2.3=4...(38) HG2 PRO 36 + HB3 PRO 36 OK 56 56 - 100 - 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 55 55 - 100 - 2.3=100 HB2 PRO 56 + HB2 PRO 44 OK 54 100 - 54 - 2403/2.3=5, 1.8/2068=4...(32) HG3 PRO 56 + HB2 PRO 44 OK 53 100 - 53 - 1.8/2068=4, 2088/2.3=3...(39) HB3 PRO 44 - HB3 PRO 36 OK 37 56 - 66 - 2073=12, 2076/1.8=8...(32) HB VAL 45 - HB2 PRO 44 OK 34 71 - 47 - 3.9/156=8, ~5650=7...(20) HB3 GLU 59 - HB2 PRO 44 OK 23 100 - 23 - 2489/3.0=2, 2088/2.3=2...(10) HB2 GLU 59 - HB2 PRO 44 OK 23 100 - 23 - 2489/3.0=2, 2088/2.3=2...(10) HB2 PRO 56 - HB3 PRO 36 OK 13 56 - 23 - 1783/1.8=2, 1762/3.0=1...(5) HG3 PRO 56 - HB3 PRO 36 OK 11 56 - 20 - 1783/1.8=2, 1762/3.0=1...(5) HB3 MET 31 - HB2 PRO 44 poor 9 83 - 11 - 2073=2, ~1533=1, 2072/2.3=1 HB2 GLU 59 - HB3 PRO 36 lone 3 56 - 5 - HB3 GLU 59 - HB3 PRO 36 lone 3 56 - 5 - HB VAL 45 - HB3 PRO 36 lone 2 33 - 5 - 3.9/156=1 HB3 MET 31 - HB3 PRO 36 lone 1 40 - 3 - Peak 2068 from cnoeabs.peaks (2.05, 2.48, 32.30 ppm; 3.17 A): 4 out of 32 assignments used, quality = 1.00: * HG2 PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HB2 PRO 44 OK 63 97 - 65 - 2075/1.8=7, 2089/2.3=6...(44) HB3 PRO 56 + HB2 PRO 44 OK 60 90 - 66 - 2075/1.8=6, 2089/2.3=6...(43) HB VAL 45 + HB2 PRO 44 OK 56 87 - 65 - 3.9/156=12, 4415/2.3=11...(22) HG2 PRO 44 - HB3 PRO 36 OK 44 56 - 78 - 2083/1.8=11, 2080=10...(38) HG2 PRO 56 - HB3 PRO 36 OK 13 52 - 26 - 2418/2.3=2, 2418/2.3=2...(4) HB3 PRO 56 - HB3 PRO 36 OK 12 46 - 27 - 2411/2.3=2, 2411/2.3=2...(8) HB3 MET 31 - HB2 PRO 44 OK 10 76 - 14 - ~1533=2, 2075/1.8=1...(4) HB3 GLU 50 - HB2 PRO 44 lone 9 99 - 9 - HB2 GLU 50 - HB2 PRO 44 lone 9 99 - 9 - HB2 GLU 25 - HB2 PRO 44 lone 7 99 - 7 - HB3 GLU 25 - HB2 PRO 44 lone 7 99 - 7 - HB VAL 76 - HB2 PRO 44 lone 5 100 - 5 - HD3 ARG 69 - HB3 PRO 36 lone 4 44 - 9 - ~5253=2, ~5254=2...(4) HD2 ARG 69 - HB3 PRO 36 lone 4 44 - 9 - ~5253=2, ~5254=2...(4) HB VAL 45 - HB3 PRO 36 lone 3 43 - 8 - 3.9/156=2, 4415/2059=1 HD2 ARG 69 - HB2 PRO 44 lone 3 89 - 3 - HD3 ARG 69 - HB2 PRO 44 lone 3 89 - 3 - HB3 GLU 19 - HB2 PRO 44 lone 1 98 - 1 - HB3 GLN 91 - HB2 PRO 44 lone 1 99 - 1 - HB2 GLU 87 - HB2 PRO 44 lone 1 90 - 1 - HB3 MET 31 - HB3 PRO 36 lone 1 36 - 2 - HB2 GLU 50 - HB3 PRO 36 lone 1 54 - 1 - HB3 GLU 50 - HB3 PRO 36 lone 1 54 - 1 - HB2 GLU 25 - HB3 PRO 36 lone 1 55 - 1 - HB3 GLU 25 - HB3 PRO 36 lone 1 54 - 1 - HB VAL 90 - HB2 PRO 44 lone 0 60 - 1 - HB VAL 76 - HB3 PRO 36 lone 0 56 - 1 - HB3 GLN 91 - HB3 PRO 36 lone 0 54 - 1 - HB3 GLU 19 - HB3 PRO 36 lone 0 53 - 0 - HB2 GLU 87 - HB3 PRO 36 lone 0 46 - 1 - HB VAL 90 - HB3 PRO 36 lone 0 27 - 0 - Peak 2069 from cnoeabs.peaks (2.14, 2.48, 32.30 ppm; 3.10 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 2.3=100 HB2 PRO 36 + HB2 PRO 44 OK 66 90 - 74 - 2076/1.8=10, 2083/2.3=9...(39) HB2 PRO 36 + HB3 PRO 36 OK 46 46 - 100 - 1.8=100 HG3 PRO 44 - HB3 PRO 36 OK 42 56 - 75 - 2087=10, 2.3/2073=9...(37) HG3 GLN 61 - HB2 PRO 44 OK 35 81 - 44 - ~2553=5, 2083/2.3=5...(18) HB ILE 40 - HB2 PRO 44 OK 26 89 - 29 - 2076/1.8=4, 2083/2.3=3...(16) HB ILE 40 - HB3 PRO 36 OK 12 44 - 27 - ~1938=4, 113/4.0=3...(12) HG3 GLN 61 - HB3 PRO 36 poor 4 39 - 12 - ~5936=2, ~5764=2...(6) Peak 2070 from cnoeabs.peaks (4.04, 2.48, 32.30 ppm; 4.64 A): 3 out of 10 assignments used, quality = 1.00: * HD2 PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 3.0=100 HA PHE 48 + HB2 PRO 44 OK 75 98 - 77 - 3.0/5132=15, 2056/3.0=13...(19) HD2 PRO 44 + HB3 PRO 36 OK 53 56 - 95 - 2.3/2087=15, 2.3/2080=15...(44) HA GLU 59 - HB2 PRO 44 OK 44 99 - 44 - 2084/2.3=8, 2091/2.3=8...(16) HA GLU 59 - HB3 PRO 36 poor 9 54 - 17 - 4645/4.0=6, 2485/2.3=1...(5) HA PHE 48 - HB3 PRO 36 poor 9 53 - 17 - ~4260=2, ~4874=2...(10) HB2 SER 22 - HB2 PRO 44 lone 7 65 - 10 - ~4155=2, 2084/2.3=1...(5) HA ALA 63 - HB2 PRO 44 lone 4 73 - 6 - HB2 SER 22 - HB3 PRO 36 lone 1 30 - 4 - HA ALA 63 - HB3 PRO 36 lone 1 34 - 2 - Peak 2071 from cnoeabs.peaks (3.67, 2.48, 32.30 ppm; 4.52 A): 5 out of 8 assignments used, quality = 1.00: * HD3 PRO 44 + HB2 PRO 44 OK 100 100 - 100 - 3.0=100 HA VAL 45 + HB2 PRO 44 OK 72 76 - 95 - 3.0/156=30, ~155=24...(35) HD2 PRO 56 + HB2 PRO 44 OK 63 71 - 89 - 2092/2.3=9, 2050/3.0=8...(48) HD3 PRO 56 + HB2 PRO 44 OK 63 71 - 89 - 2092/2.3=9, 2050/3.0=8...(48) HD3 PRO 44 + HB3 PRO 36 OK 53 56 - 94 - 2052=15, 2.3/2087=15...(42) HD3 PRO 56 - HB3 PRO 36 OK 14 33 - 42 - ~1783=2, ~2418=2...(34) HD2 PRO 56 - HB3 PRO 36 OK 14 33 - 42 - ~1783=2, ~2418=2...(34) HA VAL 45 - HB3 PRO 36 poor 7 36 - 19 - 3.0/156=5, 4414/2059=2...(8) Peak 2072 from cnoeabs.peaks (4.57, 2.09, 32.30 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 2.3=100 HA LYS 13 - HB3 PRO 44 OK 15 65 - 23 - 2079/2.3=4, 2086/2.3=4...(8) HA PRO 44 - HB3 MET 31 poor 8 47 - 17 - ~1533=2, 2.3/2073=2...(7) HA LYS 13 - HB3 MET 31 lone 0 24 - 1 - Peak 2073 from cnoeabs.peaks (2.48, 2.09, 32.30 ppm; 2.87 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 1.8=100 HB3 PRO 36 - HB3 PRO 44 OK 41 60 - 68 - 1.8/2076=9, 2059/2.3=7...(36) HB2 PRO 44 - HB3 MET 31 poor 6 47 - 12 - ~1533=1, 2.3/2072=1 HB3 PRO 36 - HB3 MET 31 lone 1 22 - 3 - Peak 2074 from cnoeabs.peaks (2.09, 2.09, 32.30 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HB3 PRO 44 OK 100 100 - 100 HB3 MET 31 - HB3 MET 31 OK 33 33 - 100 Peak 2075 from cnoeabs.peaks (2.05, 2.09, 32.30 ppm; 2.70 A): 3 out of 31 assignments used, quality = 1.00: * HG2 PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HB3 PRO 44 OK 52 97 - 53 - 2418=7, 2089/2.3=5...(32) HB3 PRO 56 + HB3 PRO 44 OK 48 90 - 53 - 2411=6, 2089/2.3=5...(31) HB VAL 45 - HB3 PRO 44 OK 45 87 - 51 - 4415/2.3=7, ~5650=7...(23) HB3 MET 31 - HB3 PRO 44 poor 9 76 - 11 - 1.8/1533=2, 3.0/1551=1 HB2 GLU 50 - HB3 PRO 44 lone 6 99 - 6 - HB3 GLU 50 - HB3 PRO 44 lone 6 99 - 6 - HG2 PRO 44 - HB3 MET 31 poor 6 47 - 13 - 2081=1, 1533/1.8=1, ~1533=1 HB2 GLU 25 - HB3 PRO 44 lone 5 99 - 5 - HB3 GLU 25 - HB3 PRO 44 lone 5 99 - 5 - HB2 GLU 50 - HB3 MET 31 poor 5 45 - 10 - 4510/3.0=1 HB3 GLU 50 - HB3 MET 31 poor 5 45 - 10 - 4510/3.0=1 HB VAL 76 - HB3 PRO 44 lone 3 100 - 3 - HB VAL 76 - HB3 MET 31 lone 2 46 - 5 - HB2 GLU 25 - HB3 MET 31 lone 2 45 - 5 - HB3 GLU 25 - HB3 MET 31 lone 2 45 - 5 - HD2 ARG 69 - HB3 PRO 44 lone 2 89 - 2 - HD3 ARG 69 - HB3 PRO 44 lone 2 89 - 2 - HB VAL 45 - HB3 MET 31 lone 2 35 - 5 - HB3 PRO 56 - HB3 MET 31 lone 1 37 - 3 - HG2 PRO 56 - HB3 MET 31 lone 1 43 - 2 - HB3 GLU 19 - HB3 PRO 44 lone 1 98 - 1 - HB3 GLN 91 - HB3 PRO 44 lone 1 99 - 1 - HB2 GLU 87 - HB3 PRO 44 lone 1 90 - 1 - HB VAL 90 - HB3 PRO 44 lone 0 60 - 0 - HB3 GLN 91 - HB3 MET 31 lone 0 45 - 1 - HB3 GLU 19 - HB3 MET 31 lone 0 43 - 1 - HB2 GLU 87 - HB3 MET 31 lone 0 37 - 1 - HD2 ARG 69 - HB3 MET 31 lone 0 36 - 0 - HD3 ARG 69 - HB3 MET 31 lone 0 36 - 0 - HB VAL 90 - HB3 MET 31 lone 0 22 - 0 - Peak 2076 from cnoeabs.peaks (2.14, 2.09, 32.30 ppm; 2.91 A): 2 out of 8 assignments used, quality = 1.00: * HG3 PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 2.3=100 HB2 PRO 36 + HB3 PRO 44 OK 65 90 - 72 - 1.8/2073=9, 1782/1.8=8...(41) HG3 GLN 61 - HB3 PRO 44 OK 30 81 - 37 - 2083/2.3=4, ~2553=4...(17) HB ILE 40 - HB3 PRO 44 OK 23 89 - 26 - 2083/2.3=3, 2069/1.8=2...(15) HG3 GLN 61 - HB3 MET 31 OK 13 32 - 41 - 2558/3.0=4, ~1534=4...(24) HG3 PRO 44 - HB3 MET 31 poor 6 47 - 12 - 2088=1, ~1533=1, 2.3/2073=1 HB2 PRO 36 - HB3 MET 31 lone 1 37 - 3 - HB ILE 40 - HB3 MET 31 lone 0 36 - 1 - Peak 2077 from cnoeabs.peaks (4.04, 2.09, 32.30 ppm; 4.61 A): 3 out of 10 assignments used, quality = 1.00: * HD2 PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 3.0=100 HA PHE 48 + HB3 PRO 44 OK 76 98 - 78 - 3.0/5131=17, 2056/3.0=13...(20) HA GLU 59 + HB3 PRO 44 OK 49 99 - 49 - 2084/2.3=8, 2091/2.3=8...(18) HD2 PRO 44 - HB3 MET 31 OK 12 47 - 26 - 5645/3.0=3, ~1533=3...(13) HA GLU 59 - HB3 MET 31 poor 9 45 - 20 - 4991/3.0=5, ~233=3...(6) HB2 SER 22 - HB3 PRO 44 poor 7 65 - 10 - ~4155=2, 2084/2.3=1...(4) HA ALA 63 - HB3 PRO 44 lone 5 73 - 6 - HA PHE 48 - HB3 MET 31 lone 4 43 - 10 - 5290/4.0=4, 3.0/5131=1 HA ALA 63 - HB3 MET 31 lone 2 28 - 8 - 4684/1.8=2, 5370/4.3=2, ~5009=2 HB2 SER 22 - HB3 MET 31 lone 2 24 - 9 - 3.9/4152=2, ~1531=1 Peak 2078 from cnoeabs.peaks (3.67, 2.09, 32.30 ppm; 4.11 A): 4 out of 8 assignments used, quality = 1.00: * HD3 PRO 44 + HB3 PRO 44 OK 100 100 - 100 - 3.0=100 HA VAL 45 + HB3 PRO 44 OK 70 76 - 92 - ~155=19, ~3829=17...(38) HD3 PRO 56 + HB3 PRO 44 OK 58 71 - 82 - 2092/2.3=8, 2.3/2075=8...(46) HD2 PRO 56 + HB3 PRO 44 OK 58 71 - 82 - 2092/2.3=8, 2.3/2075=8...(46) HD3 PRO 44 - HB3 MET 31 OK 10 47 - 22 - ~1533=2, ~5645=2...(13) HA VAL 45 - HB3 MET 31 lone 3 29 - 10 - ~4410=2, 3.5/5131=1 HD3 PRO 56 - HB3 MET 31 lone 1 27 - 5 - HD2 PRO 56 - HB3 MET 31 lone 1 27 - 5 - Peak 2079 from cnoeabs.peaks (4.57, 2.05, 27.95 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 3.8=100 HA LYS 13 - HG2 PRO 44 OK 18 65 - 27 - 2086/1.8=6, 2072/2.3=5...(8) Peak 2080 from cnoeabs.peaks (2.48, 2.05, 27.95 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 2.3=100 HB3 PRO 36 + HG2 PRO 44 OK 53 60 - 88 - 1.8/2083=13, 2087/1.8=13...(42) Peak 2081 from cnoeabs.peaks (2.09, 2.05, 27.95 ppm; 3.02 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HG2 PRO 44 OK 71 100 - 71 - 2.3/2083=8, 2.3/2080=7...(43) HG3 PRO 36 + HG2 PRO 44 OK 71 100 - 71 - 2.3/2083=8, 2.3/2080=7...(43) HB2 PRO 56 + HG2 PRO 44 OK 61 100 - 62 - 2403=7, 2088/1.8=5...(36) HG3 PRO 56 + HG2 PRO 44 OK 60 100 - 60 - 2.3/2403=5, 2088/1.8=5...(37) HB3 GLU 59 - HG2 PRO 44 OK 30 100 - 30 - 2495/2.3=3, 3.0/2084=3...(17) HB2 GLU 59 - HG2 PRO 44 OK 30 100 - 30 - 2489/2.3=3, 3.0/2084=3...(17) HB VAL 45 - HG2 PRO 44 OK 30 71 - 42 - 4415/3.8=7, ~5215=4...(20) HB3 MET 31 - HG2 PRO 44 OK 15 83 - 17 - 1.8/1533=2, ~1533=1...(5) Peak 2082 from cnoeabs.peaks (2.05, 2.05, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 44 + HG2 PRO 44 OK 100 100 - 100 Peak 2083 from cnoeabs.peaks (2.14, 2.05, 27.95 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 1.8=100 HB2 PRO 36 + HG2 PRO 44 OK 65 90 - 72 - 2076/2.3=8, 1.8/2080=8...(40) HG3 GLN 61 - HG2 PRO 44 OK 35 81 - 44 - ~2553=5, ~4397=4...(18) HB ILE 40 - HG2 PRO 44 OK 25 89 - 29 - 2076/2.3=3, 2048/2.3=3...(16) Peak 2084 from cnoeabs.peaks (4.04, 2.05, 27.95 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HD2 PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 2.3=100 HA PHE 48 + HG2 PRO 44 OK 66 98 - 67 - 2056/2.3=12, 2091/1.8=11...(19) HA GLU 59 - HG2 PRO 44 OK 40 99 - 40 - 2091/1.8=7, 2056/2.3=6...(16) HB2 SER 22 - HG2 PRO 44 poor 7 65 - 11 - 1.8/4155=2, 3.0/4153=1...(5) HA ALA 63 - HG2 PRO 44 lone 4 73 - 5 - Peak 2085 from cnoeabs.peaks (3.67, 2.05, 27.95 ppm; 4.25 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 44 + HG2 PRO 44 OK 100 100 - 100 - 2.3=100 HA VAL 45 + HG2 PRO 44 OK 61 76 - 80 - ~156=16, 4414/3.8=12...(32) HD3 PRO 56 + HG2 PRO 44 OK 59 71 - 84 - 2092/1.8=9, 2050/2.3=9...(43) HD2 PRO 56 + HG2 PRO 44 OK 59 71 - 84 - 2092/1.8=9, 2050/2.3=9...(43) Peak 2086 from cnoeabs.peaks (4.57, 2.14, 27.95 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 3.8=100 HA LYS 13 - HG3 PRO 44 OK 18 65 - 28 - 2079/1.8=6, 2072/2.3=5...(8) Peak 2087 from cnoeabs.peaks (2.48, 2.14, 27.95 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 2.3=100 HB3 PRO 36 + HG3 PRO 44 OK 53 60 - 88 - 2080/1.8=13, 2073/2.3=12...(44) Peak 2088 from cnoeabs.peaks (2.09, 2.14, 27.95 ppm; 2.90 A): 5 out of 9 assignments used, quality = 1.00: * HB3 PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 2.3=100 HG2 PRO 36 + HG3 PRO 44 OK 70 100 - 70 - 2.3/2087=7, 2.3/1760=5...(44) HG3 PRO 36 + HG3 PRO 44 OK 69 100 - 70 - 2.3/2087=7, 2.3/1760=5...(44) HB2 PRO 56 + HG3 PRO 44 OK 61 100 - 62 - 1.8/2089=6, 2403/1.8=6...(42) HG3 PRO 56 + HG3 PRO 44 OK 61 100 - 61 - 1.8/2089=6, 2.3/2089=5...(38) HB3 GLU 59 - HG3 PRO 44 OK 28 100 - 28 - 2489/2.3=3, 3.0/2091=3...(14) HB2 GLU 59 - HG3 PRO 44 OK 28 100 - 28 - 2489/2.3=3, 3.0/2091=3...(14) HB VAL 45 - HG3 PRO 44 OK 24 71 - 34 - 4415/3.8=6, ~5215=4...(17) HB3 MET 31 - HG3 PRO 44 OK 11 83 - 13 - ~1533=1, 2076=1, 2073/2.3=1 Peak 2089 from cnoeabs.peaks (2.05, 2.14, 27.95 ppm; 2.92 A): 3 out of 16 assignments used, quality = 1.00: * HG2 PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 1.8=100 HG2 PRO 56 + HG3 PRO 44 OK 58 97 - 60 - 2075/2.3=5, 1.8/2088=5...(37) HB3 PRO 56 + HG3 PRO 44 OK 55 90 - 61 - 2075/2.3=5, 1.8/2088=5...(41) HB VAL 45 - HG3 PRO 44 OK 34 87 - 39 - 4415/3.8=7, 2075/2.3=4...(17) HB3 MET 31 - HG3 PRO 44 poor 9 76 - 11 - ~1533=1 HB3 GLU 50 - HG3 PRO 44 lone 8 99 - 8 - HB2 GLU 50 - HG3 PRO 44 lone 8 99 - 8 - HB2 GLU 25 - HG3 PRO 44 lone 6 99 - 6 - HB3 GLU 25 - HG3 PRO 44 lone 6 99 - 6 - HB VAL 76 - HG3 PRO 44 lone 5 100 - 5 - HD3 ARG 69 - HG3 PRO 44 lone 2 89 - 3 - HD2 ARG 69 - HG3 PRO 44 lone 2 89 - 3 - HB3 GLU 19 - HG3 PRO 44 lone 1 98 - 1 - HB3 GLN 91 - HG3 PRO 44 lone 1 99 - 1 - HB2 GLU 87 - HG3 PRO 44 lone 1 90 - 1 - HB VAL 90 - HG3 PRO 44 lone 0 60 - 1 - Peak 2090 from cnoeabs.peaks (2.14, 2.14, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 44 + HG3 PRO 44 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (4.04, 2.14, 27.95 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HD2 PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 2.3=100 HA PHE 48 + HG3 PRO 44 OK 61 98 - 62 - 2056/2.3=12, 2084/1.8=11...(18) HA GLU 59 - HG3 PRO 44 OK 37 99 - 38 - 2084/1.8=7, 2056/2.3=6...(14) HB2 SER 22 - HG3 PRO 44 lone 5 65 - 8 - ~4155=1, 2084/1.8=1 HA ALA 63 - HG3 PRO 44 lone 4 73 - 5 - Peak 2092 from cnoeabs.peaks (3.67, 2.14, 27.95 ppm; 3.93 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 44 + HG3 PRO 44 OK 100 100 - 100 - 2.3=100 HD2 PRO 56 + HG3 PRO 44 OK 59 71 - 83 - 2.3/2089=9, 2050/2.3=8...(48) HD3 PRO 56 + HG3 PRO 44 OK 59 71 - 83 - 2.3/2089=9, 2050/2.3=8...(48) HA VAL 45 + HG3 PRO 44 OK 52 76 - 69 - ~156=13, 4414/3.8=10...(26) Peak 2093 from cnoeabs.peaks (8.62, 3.69, 66.64 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 45 + HA VAL 45 OK 100 100 - 100 - 3.0=100 H ASN 49 + HA VAL 45 OK 51 68 - 75 - 4.3/4407=22, 4487=15...(13) Peak 2094 from cnoeabs.peaks (3.69, 3.69, 66.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 45 + HA VAL 45 OK 100 100 - 100 Peak 2095 from cnoeabs.peaks (2.06, 3.69, 66.64 ppm; 3.49 A): 3 out of 17 assignments used, quality = 1.00: * HB VAL 45 + HA VAL 45 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 + HA VAL 45 OK 57 71 - 81 - ~155=13, ~156=12...(34) HG2 PRO 44 + HA VAL 45 OK 57 87 - 65 - ~156=10, 3.8/4414=10...(27) HB2 PRO 56 - HA VAL 45 OK 27 76 - 36 - 2405=4, 2.3/2419=4...(15) HG3 PRO 56 - HA VAL 45 OK 25 71 - 36 - 1.8/2420=4, 2.3/2406=4...(16) HG2 PRO 56 - HA VAL 45 OK 22 63 - 35 - 2.3/2405=4, 2420=3...(16) HB3 MET 31 - HA VAL 45 lone 7 100 - 7 - ~4410=1, 164/3.5=1 HG2 PRO 36 - HA VAL 45 lone 6 63 - 10 - ~156=2, ~3830=1 HB3 GLU 50 - HA VAL 45 lone 4 71 - 5 - HB2 GLU 50 - HA VAL 45 lone 4 71 - 5 - HB3 GLU 25 - HA VAL 45 lone 3 97 - 3 - HB2 GLU 25 - HA VAL 45 lone 3 96 - 3 - HB3 GLU 59 - HA VAL 45 lone 2 68 - 2 - HB2 GLU 59 - HA VAL 45 lone 2 68 - 2 - HB VAL 76 - HA VAL 45 lone 1 81 - 1 - HB3 GLN 91 - HA VAL 45 lone 1 71 - 1 - HB3 GLU 19 - HA VAL 45 lone 1 65 - 1 - Peak 2096 from cnoeabs.peaks (1.07, 3.69, 66.64 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + HA VAL 45 OK 100 100 - 100 - 3.2=100 Peak 2097 from cnoeabs.peaks (0.99, 3.69, 66.64 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 45 + HA VAL 45 OK 100 100 - 100 - 3.2=100 QD1 LEU 57 - HA VAL 45 OK 36 97 - 37 - 2102/3.0=7, 2107/3.2=7...(10) Peak 2098 from cnoeabs.peaks (8.62, 2.06, 31.70 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.94: * H VAL 45 + HB VAL 45 OK 91 100 - 92 - 3.9=75, 629/2.1=33...(8) H ASN 49 + HB VAL 45 OK 30 68 - 44 - 2103/2.1=11, 2108/2.1=11...(8) Peak 2099 from cnoeabs.peaks (3.69, 2.06, 31.70 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 45 + HB VAL 45 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 - HB VAL 45 OK 44 76 - 58 - 3.6/4415=14, 2104/2.1=7...(22) HD3 PRO 56 - HB VAL 45 OK 40 100 - 40 - 2104/2.1=6, 2109/2.1=6...(18) HD2 PRO 56 - HB VAL 45 OK 40 100 - 40 - 2104/2.1=6, 2109/2.1=6...(18) Peak 2100 from cnoeabs.peaks (2.06, 2.06, 31.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 45 + HB VAL 45 OK 100 100 - 100 Peak 2101 from cnoeabs.peaks (1.07, 2.06, 31.70 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + HB VAL 45 OK 100 100 - 100 - 2.1=100 Peak 2102 from cnoeabs.peaks (0.99, 2.06, 31.70 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 45 + HB VAL 45 OK 100 100 - 100 - 2.1=100 QD1 LEU 57 - HB VAL 45 OK 28 97 - 29 - 2097/3.0=6, 2107/2.1=5...(8) Peak 2103 from cnoeabs.peaks (8.62, 1.07, 22.09 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.97: * H VAL 45 + QG2 VAL 45 OK 93 100 - 93 - 4.0=78, 630/2.1=29...(12) H ASN 49 + QG2 VAL 45 OK 51 68 - 74 - 4.5/4421=14, 5.3/4420=14...(16) Peak 2104 from cnoeabs.peaks (3.69, 1.07, 22.09 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 45 + QG2 VAL 45 OK 100 100 - 100 - 3.2=100 HD3 PRO 44 - QG2 VAL 45 OK 42 76 - 56 - 3.6/5650=14, 2099/2.1=6...(24) HD3 PRO 56 - QG2 VAL 45 OK 41 100 - 41 - 2109/2.1=6, 2099/2.1=5...(14) HD2 PRO 56 - QG2 VAL 45 OK 41 100 - 41 - 2109/2.1=6, 2099/2.1=5...(14) Peak 2105 from cnoeabs.peaks (2.06, 1.07, 22.09 ppm; 3.05 A): 2 out of 17 assignments used, quality = 1.00: * HB VAL 45 + QG2 VAL 45 OK 100 100 - 100 - 2.1=100 HB3 PRO 44 + QG2 VAL 45 OK 47 71 - 66 - 4.2/629=14, 2.3/5650=13...(27) HG2 PRO 44 - QG2 VAL 45 OK 42 87 - 49 - 3.8/5650=11, 2.3/2104=5...(21) HB2 PRO 56 - QG2 VAL 45 OK 22 76 - 29 - 3.0/2104=4, 3.0/2104=4...(11) HG3 PRO 56 - QG2 VAL 45 OK 22 71 - 31 - 2.3/2104=5, 2.3/2104=5...(12) HG2 PRO 56 - QG2 VAL 45 OK 19 63 - 30 - 2.3/2104=5, 2.3/2104=5...(10) HB3 MET 31 - QG2 VAL 45 lone 6 100 - 6 - ~4410=1 HG2 PRO 36 - QG2 VAL 45 lone 2 63 - 4 - HB3 GLU 50 - QG2 VAL 45 lone 2 71 - 3 - HB2 GLU 50 - QG2 VAL 45 lone 2 71 - 3 - HB3 GLU 25 - QG2 VAL 45 lone 2 97 - 2 - HB2 GLU 25 - QG2 VAL 45 lone 2 96 - 2 - HB3 GLU 59 - QG2 VAL 45 lone 1 68 - 1 - HB2 GLU 59 - QG2 VAL 45 lone 1 68 - 1 - HB VAL 76 - QG2 VAL 45 lone 1 81 - 1 - HB3 GLN 91 - QG2 VAL 45 lone 0 71 - 1 - HB3 GLU 19 - QG2 VAL 45 lone 0 65 - 1 - Peak 2106 from cnoeabs.peaks (1.07, 1.07, 22.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + QG2 VAL 45 OK 100 100 - 100 Peak 2107 from cnoeabs.peaks (0.99, 1.07, 22.09 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 45 + QG2 VAL 45 OK 100 100 - 100 - 2.1=100 QD1 LEU 57 + QG2 VAL 45 OK 55 97 - 56 - 2102/2.1=11, 2097/3.2=11...(11) Peak 2108 from cnoeabs.peaks (8.62, 0.99, 19.47 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.97: * H VAL 45 + QG1 VAL 45 OK 94 100 - 94 - 4.0=77, 629/2.1=35...(12) H ASN 49 + QG1 VAL 45 OK 48 68 - 70 - 5.3/4423=13, 2103/2.1=12...(15) Peak 2109 from cnoeabs.peaks (3.69, 0.99, 19.47 ppm; 3.72 A): 4 out of 4 assignments used, quality = 1.00: * HA VAL 45 + QG1 VAL 45 OK 100 100 - 100 - 3.2=100 HD3 PRO 56 + QG1 VAL 45 OK 53 100 - 53 - 2104/2.1=7, 2099/2.1=7...(23) HD2 PRO 56 + QG1 VAL 45 OK 53 100 - 53 - 2104/2.1=7, 2099/2.1=7...(23) HD3 PRO 44 + QG1 VAL 45 OK 49 76 - 64 - 3.6/5654=17, 3.0/5215=9...(25) Peak 2110 from cnoeabs.peaks (2.06, 0.99, 19.47 ppm; 3.10 A): 2 out of 17 assignments used, quality = 1.00: * HB VAL 45 + QG1 VAL 45 OK 100 100 - 100 - 2.1=100 HB3 PRO 44 + QG1 VAL 45 OK 47 71 - 67 - 2.3/5654=12, 4.2/630=12...(28) HG2 PRO 44 - QG1 VAL 45 OK 44 87 - 51 - 3.8/5654=10, 2.3/5215=6...(22) HB2 PRO 56 - QG1 VAL 45 OK 25 76 - 33 - 3.0/2109=4, 3.0/2109=4...(12) HG3 PRO 56 - QG1 VAL 45 OK 23 71 - 32 - 2.3/2109=5, 2.3/2109=5...(12) HG2 PRO 56 - QG1 VAL 45 OK 19 63 - 31 - 2.3/2109=5, 2.3/2109=5...(11) HB3 MET 31 - QG1 VAL 45 lone 9 100 - 8 - 3.0/4410=2 HG2 PRO 36 - QG1 VAL 45 lone 3 63 - 4 - HB3 GLU 50 - QG1 VAL 45 lone 3 71 - 4 - HB2 GLU 50 - QG1 VAL 45 lone 3 71 - 4 - HB3 GLU 25 - QG1 VAL 45 lone 2 97 - 2 - HB2 GLU 25 - QG1 VAL 45 lone 2 96 - 2 - HB VAL 76 - QG1 VAL 45 lone 1 81 - 1 - HB3 GLU 59 - QG1 VAL 45 lone 1 68 - 2 - HB2 GLU 59 - QG1 VAL 45 lone 1 68 - 2 - HB3 GLN 91 - QG1 VAL 45 lone 1 71 - 1 - HB3 GLU 19 - QG1 VAL 45 lone 0 65 - 1 - Peak 2111 from cnoeabs.peaks (1.07, 0.99, 19.47 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + QG1 VAL 45 OK 100 100 - 100 - 2.1=100 Peak 2112 from cnoeabs.peaks (0.99, 0.99, 19.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 45 + QG1 VAL 45 OK 100 100 - 100 Peak 2113 from cnoeabs.peaks (8.77, 4.49, 57.78 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 46 + HA ASP 46 OK 100 100 - 100 - 3.0=100 H PHE 48 + HA ASP 46 OK 50 100 - 50 - 171/3.6=19, 4.6/4489=9...(13) H ASP 46 - HA ASP 67 OK 28 90 - 32 - 632=8, 4.2/4417=4...(13) H PHE 48 - HA ASP 67 OK 15 89 - 17 - 4.6/4489=4, 4.6/3838=3...(6) Peak 2114 from cnoeabs.peaks (4.49, 4.49, 57.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 46 + HA ASP 46 OK 100 100 - 100 HA ASP 67 + HA ASP 67 OK 76 76 - 100 Peak 2115 from cnoeabs.peaks (2.70, 4.49, 57.78 ppm; 3.19 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASP 46 + HA ASP 46 OK 100 100 - 100 - 3.0=100 HB3 ASN 49 - HA ASP 46 OK 42 81 - 52 - 1.8/4488=10, 4.0/4489=8...(14) HB3 ASN 49 - HA ASP 67 OK 22 66 - 33 - 1.8/4488=7, 5360=6...(11) HB2 ASP 46 - HA ASP 67 OK 18 90 - 20 - 2118=5, 1.8/2122=4...(7) HD2 PRO 34 - HA ASP 46 lone 4 73 - 5 - HB2 ASN 80 - HA ASP 46 lone 2 100 - 2 - HD2 PRO 34 - HA ASP 67 lone 1 60 - 2 - HB2 ASN 80 - HA ASP 67 lone 1 89 - 1 - Peak 2116 from cnoeabs.peaks (2.55, 4.49, 57.78 ppm; 3.50 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ASP 46 + HA ASP 46 OK 100 100 - 100 - 3.0=100 HB2 ASP 24 - HA ASP 46 OK 42 99 - 43 - 1321=10, 170/3.6=6...(13) HB3 ASP 46 - HA ASP 67 OK 21 90 - 24 - 2122=5, 1.8/2118=5...(9) HG3 MET 31 - HA ASP 67 poor 8 62 - 13 - 3775/3.0=2, ~3774=2...(4) HB2 ASP 24 - HA ASP 67 lone 8 87 - 9 - 1321=2, 1.8/1325=1 HG3 MET 31 - HA ASP 46 lone 7 76 - 9 - 170/3.6=2, 634/3.0=2 HB2 GLN 61 - HA ASP 46 lone 7 81 - 8 - 170/3.6=2, 634/3.0=1 HB2 GLN 61 - HA ASP 67 lone 1 66 - 2 - Peak 2117 from cnoeabs.peaks (8.77, 2.70, 39.53 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.96: * H ASP 46 + HB2 ASP 46 OK 96 100 - 96 - 4.0=93, 634/1.8=31...(6) H PHE 48 - HB2 ASP 46 OK 38 100 - 38 - 171/4.6=17, 2121/1.8=11...(5) Peak 2118 from cnoeabs.peaks (4.49, 2.70, 39.53 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 46 + HB2 ASP 46 OK 100 100 - 100 - 3.0=100 HA ASP 24 - HB2 ASP 46 OK 35 99 - 35 - 1318/1.8=10, 3.0/2120=5...(10) HA ASP 67 - HB2 ASP 46 OK 22 90 - 25 - 2122/1.8=5, 2115=5...(9) Peak 2119 from cnoeabs.peaks (2.70, 2.70, 39.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 46 + HB2 ASP 46 OK 100 100 - 100 Peak 2120 from cnoeabs.peaks (2.55, 2.70, 39.53 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 46 + HB2 ASP 46 OK 100 100 - 100 - 1.8=100 HB2 ASP 24 - HB2 ASP 46 OK 19 99 - 20 - 1321/3.0=4, 3.0/2118=3...(8) HB2 GLN 61 - HB2 ASP 46 lone 4 81 - 4 - HG3 MET 31 - HB2 ASP 46 lone 3 76 - 4 - Peak 2121 from cnoeabs.peaks (8.77, 2.55, 39.53 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.95: * H ASP 46 + HB3 ASP 46 OK 92 100 - 92 - 4.0=84, 633/1.8=27...(5) H PHE 48 + HB3 ASP 46 OK 34 100 - 35 - 171/4.6=16, 2117/1.8=10...(5) Peak 2122 from cnoeabs.peaks (4.49, 2.55, 39.53 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 46 + HB3 ASP 46 OK 100 100 - 100 - 3.0=100 HA ASP 24 + HB3 ASP 46 OK 48 99 - 48 - 1318=12, 2118/1.8=9...(12) HA ASP 67 - HB3 ASP 46 OK 25 90 - 27 - 2118/1.8=6, 2116=5...(10) Peak 2123 from cnoeabs.peaks (2.70, 2.55, 39.53 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 46 + HB3 ASP 46 OK 100 100 - 100 - 1.8=100 HB3 ASN 49 - HB3 ASP 46 OK 20 81 - 25 - 5360/3.0=5, 633/4.0=4...(11) HD2 PRO 34 - HB3 ASP 46 lone 3 73 - 4 - HB2 ASN 80 - HB3 ASP 46 lone 2 100 - 1 - Peak 2124 from cnoeabs.peaks (2.55, 2.55, 39.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 46 + HB3 ASP 46 OK 100 100 - 100 Peak 2125 from cnoeabs.peaks (7.27, 4.39, 56.46 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HE ARG 54 - HA ASP 47 OK 15 100 - 15 - 171/3.6=4, 2129/3.0=3 H ILE 40 - HA ASP 47 OK 13 71 - 18 - 4.0/4450=3, 171/3.6=3...(6) Peak 2126 from cnoeabs.peaks (4.39, 4.39, 56.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + HA ASP 47 OK 100 100 - 100 Peak 2127 from cnoeabs.peaks (2.67, 4.39, 56.46 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HB3 ASN 49 - HA ASP 47 OK 44 96 - 46 - 4.2/4506=12, 637/3.0=10...(9) Peak 2128 from cnoeabs.peaks (2.59, 4.39, 56.46 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HB3 ASP 24 - HA ASP 47 OK 38 100 - 38 - 638/3.0=8, 2134=7...(11) HG2 GLN 61 - HA ASP 47 OK 18 97 - 18 - 638/3.0=4, 2132/3.0=3...(5) Peak 2129 from cnoeabs.peaks (7.27, 2.67, 40.94 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 4.1=100 HE ARG 54 - HB2 ASP 47 OK 15 100 - 15 - 171/4.3=4, 2125/3.0=4 H ILE 40 - HB2 ASP 47 OK 13 71 - 18 - 2125/3.0=3, 4.0/4446=3...(6) Peak 2130 from cnoeabs.peaks (4.39, 2.67, 40.94 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 3.0=100 HA MET 11 - HB2 ASP 47 OK 13 97 - 13 - 2134/1.8=4, ~963=2...(5) Peak 2131 from cnoeabs.peaks (2.67, 2.67, 40.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 2132 from cnoeabs.peaks (2.59, 2.67, 40.94 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 1.8=100 HB3 ASP 24 - HB2 ASP 47 OK 29 100 - 29 - 2135=6, 2128/3.0=5...(9) HG2 GLN 61 - HB2 ASP 47 OK 14 97 - 14 - 2128/3.0=2, 638/4.1=2...(5) Peak 2133 from cnoeabs.peaks (7.27, 2.59, 40.94 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 4.1=100 H ASP 47 - HB3 ASP 24 OK 30 60 - 50 - 170/1.8=12, 638=12...(9) HE ARG 54 - HB3 ASP 47 OK 16 100 - 16 - 2129/1.8=5, 171/4.3=4 H ILE 40 - HB3 ASP 47 OK 13 71 - 18 - 2129/1.8=4, 2125/3.0=3...(5) HE ARG 54 - HB3 ASP 24 lone 2 59 - 3 - H ILE 40 - HB3 ASP 24 lone 2 35 - 5 - 4295/4752=1 Peak 2134 from cnoeabs.peaks (4.39, 2.59, 40.94 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 3.0=100 HA ASP 47 - HB3 ASP 24 OK 28 60 - 47 - 2128=12, 3.0/638=9...(11) HA MET 11 - HB3 ASP 47 OK 14 97 - 15 - 2130/1.8=5, ~963=3...(5) HA MET 11 - HB3 ASP 24 lone 1 54 - 2 - Peak 2135 from cnoeabs.peaks (2.67, 2.59, 40.94 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 1.8=100 HB3 ASN 49 - HB3 ASP 47 OK 24 96 - 25 - 2127/3.0=6, 637/4.1=6...(7) HB2 ASP 47 - HB3 ASP 24 OK 19 60 - 31 - 2132=10, 3.0/2128=5...(9) HB3 ASN 49 - HB3 ASP 24 lone 5 53 - 10 - 5360/3.0=3, ~4488=2 Peak 2136 from cnoeabs.peaks (2.59, 2.59, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 HB3 ASP 24 + HB3 ASP 24 OK 60 60 - 100 Peak 2137 from cnoeabs.peaks (8.77, 4.03, 60.97 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HA PHE 48 OK 100 100 - 100 - 3.0=100 H ASP 46 + HA PHE 48 OK 54 100 - 55 - 175/3.6=14, 2143/3.0=13...(14) Peak 2138 from cnoeabs.peaks (4.03, 4.03, 60.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 48 + HA PHE 48 OK 100 100 - 100 Peak 2139 from cnoeabs.peaks (3.13, 4.03, 60.97 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 48 + HA PHE 48 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 - HA PHE 48 OK 12 78 - 15 - 641/3.0=2, 3.5/4463=2...(8) HD3 ARG 84 - HA PHE 48 OK 11 73 - 14 - 641/3.0=2, 3.5/4463=2...(8) HD2 ARG 71 - HA PHE 48 lone 7 92 - 8 - 641/3.0=2, 2157/3.7=1...(4) HD2 ARG 82 - HA PHE 48 lone 3 76 - 4 - 2157/3.7=1 Peak 2140 from cnoeabs.peaks (2.88, 4.03, 60.97 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PHE 48 + HA PHE 48 OK 100 100 - 100 - 3.0=100 HB2 ASN 49 + HA PHE 48 OK 50 92 - 55 - 2167/3.6=18, 642/3.0=9...(12) HB3 PHE 35 - HA PHE 48 OK 25 63 - 39 - 2151/3.0=4, 4865/4470=4...(18) HB2 PHE 35 - HA PHE 48 OK 23 57 - 41 - 4549/3.7=5, 2150=4...(20) HB2 ASP 67 - HA PHE 48 OK 13 92 - 14 - 647/3.6=3, 642/3.0=2...(4) Peak 2142 from cnoeabs.peaks (7.07, 4.03, 60.97 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.99: * QD PHE 48 + HA PHE 48 OK 99 100 - 99 - 3.7=99 QD TYR 81 - HA PHE 48 OK 34 99 - 34 - 2148/3.0=8, 644/3.0=6...(9) Peak 2143 from cnoeabs.peaks (8.77, 3.13, 38.68 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.99: * H PHE 48 + HB2 PHE 48 OK 97 100 - 97 - 4.0=91, 642/1.8=23...(13) H ASP 46 + HB2 PHE 48 OK 66 100 - 66 - 3.5/4407=24, 4.2/4409=15...(10) Peak 2144 from cnoeabs.peaks (4.03, 3.13, 38.68 ppm; 4.21 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 48 + HB2 PHE 48 OK 100 100 - 100 - 3.0=100 HD2 PRO 44 + HB2 PHE 48 OK 68 99 - 69 - 1.8/4455=10, 640/4.0=10...(20) HA ARG 54 - HB2 PHE 48 OK 16 78 - 20 - 4547/2.5=4, ~4453=3...(9) HA GLU 59 - HB2 PHE 48 lone 9 92 - 9 - 640/4.0=2, 2156/2.5=1 HB2 SER 22 - HB2 PHE 48 lone 8 85 - 9 - 4547/2.5=2, 2150/1.8=1 HA ARG 70 - HB2 PHE 48 lone 5 63 - 8 - 4547/2.5=2, 4604/4.4=2 Peak 2145 from cnoeabs.peaks (3.13, 3.13, 38.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 48 + HB2 PHE 48 OK 100 100 - 100 Peak 2146 from cnoeabs.peaks (2.88, 3.13, 38.68 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PHE 48 + HB2 PHE 48 OK 100 100 - 100 - 1.8=100 HB2 ASN 49 - HB2 PHE 48 OK 45 92 - 49 - 4.0/177=16, ~4492=8...(13) HB3 PHE 35 - HB2 PHE 48 OK 23 63 - 36 - 2151=6, 1.8/2151=4...(17) HB2 PHE 35 - HB2 PHE 48 OK 22 57 - 38 - 2151=6, 4549/2.5=5...(17) HB2 ASP 67 - HB2 PHE 48 poor 9 92 - 10 - 647/4.3=2, 4549/2.5=1...(4) Peak 2148 from cnoeabs.peaks (7.07, 3.13, 38.68 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 48 + HB2 PHE 48 OK 100 100 - 100 - 2.5=100 QD TYR 81 - HB2 PHE 48 OK 42 99 - 42 - 2154/1.8=8, 2142/3.0=8...(14) Peak 2149 from cnoeabs.peaks (8.77, 2.88, 38.68 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.98: * H PHE 48 + HB3 PHE 48 OK 96 100 - 96 - 4.0=86, 641/1.8=35...(14) H ASP 46 + HB3 PHE 48 OK 57 100 - 57 - 2143/1.8=15, 3.5/4406=12...(12) H PHE 48 - HB3 PHE 35 OK 14 61 - 23 - 642=4, 3.0/2140=3...(9) H PHE 48 - HB2 PHE 35 OK 13 55 - 24 - 4.4/4549=4, 642=3...(9) H ASP 46 - HB3 PHE 35 lone 5 60 - 8 - 3.5/4406=1, 4.2/4408=1 H ASP 46 - HB2 PHE 35 lone 3 55 - 5 - Peak 2150 from cnoeabs.peaks (4.03, 2.88, 38.68 ppm; 3.86 A): 2 out of 18 assignments used, quality = 1.00: * HA PHE 48 + HB3 PHE 48 OK 100 100 - 100 - 3.0=100 HD2 PRO 44 + HB3 PHE 48 OK 62 99 - 63 - 2144/1.8=11, 4.8/4382=8...(18) HA PHE 48 - HB2 PHE 35 OK 24 55 - 43 - 2140=6, 3.7/4549=5...(20) HA PHE 48 - HB3 PHE 35 OK 23 61 - 39 - 2140=6, 3.0/2151=4...(18) HA ARG 54 - HB3 PHE 48 OK 15 78 - 19 - 4547/2.5=3, 2144/1.8=2...(11) HA GLU 59 - HB3 PHE 48 lone 8 92 - 8 - 2144/1.8=1, 640/4.0=1 HB2 SER 22 - HB3 PHE 48 lone 8 85 - 9 - 4547/2.5=2, 2144/1.8=1 HD2 PRO 44 - HB2 PHE 35 poor 7 53 - 14 - 4.8/4382=2, ~5583=2...(5) HD2 PRO 44 - HB3 PHE 35 poor 6 58 - 11 - ~5583=2, ~5573=1 HA ARG 54 - HB3 PHE 35 poor 5 41 - 12 - ~5707=6, ~4659=2, ~4561=1 HA ARG 54 - HB2 PHE 35 poor 5 37 - 13 - ~5707=6, ~4659=2, ~4561=1 HA ARG 70 - HB3 PHE 48 lone 4 63 - 7 - 4547/2.5=2, 4604/4.4=1 HB2 SER 22 - HB3 PHE 35 lone 2 45 - 5 - ~4599=1 HB2 SER 22 - HB2 PHE 35 lone 2 41 - 5 - ~4599=1 HA GLU 59 - HB3 PHE 35 lone 1 51 - 3 - HA GLU 59 - HB2 PHE 35 lone 1 46 - 3 - HA ARG 70 - HB3 PHE 35 lone 0 31 - 1 - HA ARG 70 - HB2 PHE 35 lone 0 28 - 1 - Peak 2151 from cnoeabs.peaks (3.13, 2.88, 38.68 ppm; 3.35 A): 1 out of 15 assignments used, quality = 1.00: * HB2 PHE 48 + HB3 PHE 48 OK 100 100 - 100 - 1.8=100 HB2 PHE 48 - HB3 PHE 35 OK 21 61 - 35 - 2146=6, 2146/1.8=4...(17) HB2 PHE 48 - HB2 PHE 35 OK 20 55 - 37 - 2146=5, 2.5/4549=5...(17) HD2 ARG 84 - HB3 PHE 48 lone 7 78 - 8 - 2139/3.0=2, 641/4.0=1 HD3 ARG 84 - HB3 PHE 48 lone 6 73 - 8 - 2139/3.0=2, ~2139=1 HD2 ARG 71 - HB3 PHE 48 lone 5 92 - 5 - 2139/3.0=1 HD2 ARG 82 - HB3 PHE 48 lone 2 76 - 2 - HD2 ARG 71 - HB3 PHE 35 lone 0 51 - 1 - HD2 ARG 84 - HB3 PHE 35 lone 0 41 - 1 - HD2 ARG 71 - HB2 PHE 35 lone 0 46 - 1 - HD2 ARG 84 - HB2 PHE 35 lone 0 37 - 1 - HD3 ARG 84 - HB3 PHE 35 lone 0 37 - 1 - HD3 ARG 84 - HB2 PHE 35 lone 0 34 - 1 - HD2 ARG 82 - HB3 PHE 35 lone 0 39 - 1 - HD2 ARG 82 - HB2 PHE 35 lone 0 35 - 1 - Peak 2152 from cnoeabs.peaks (2.88, 2.88, 38.68 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 48 + HB3 PHE 48 OK 100 100 - 100 HB3 PHE 35 - HB3 PHE 35 OK 31 31 - 100 HB2 PHE 35 - HB2 PHE 35 OK 25 25 - 100 Peak 2154 from cnoeabs.peaks (7.07, 2.88, 38.68 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: * QD PHE 48 + HB3 PHE 48 OK 100 100 - 100 - 2.5=100 QD TYR 81 - HB3 PHE 48 OK 45 99 - 45 - 2148/1.8=11, 2142/3.0=8...(15) QD PHE 48 - HB3 PHE 35 OK 28 60 - 46 - 4549/1.8=7, 4550/4.5=5...(19) QD PHE 48 - HB2 PHE 35 OK 27 54 - 50 - 4549=9, 2.2/4607=6...(21) QD TYR 81 - HB2 PHE 35 lone 4 54 - 8 - ~5712=2, 4527/4516=1 QD TYR 81 - HB3 PHE 35 lone 4 59 - 7 - ~5712=2 Peak 2156 from cnoeabs.peaks (4.03, 7.07, 131.51 ppm; 5.15 A): 2 out of 6 assignments used, quality = 1.00: * HA PHE 48 + QD PHE 48 OK 100 100 - 100 - 3.7=100 HD2 PRO 44 + QD PHE 48 OK 72 98 - 73 - 4.8/4921=16, 2144/2.5=15...(17) HA ARG 54 - QD PHE 48 OK 21 77 - 27 - 4521/4625=4, 4604/2.2=4...(11) HB2 SER 22 - QD PHE 48 OK 14 83 - 17 - 4521/4625=2, 4604/2.2=2...(8) HA GLU 59 - QD PHE 48 OK 13 91 - 15 - 640/4.4=2, 2144/2.5=2...(6) HA ARG 70 - QD PHE 48 poor 7 61 - 11 - 4604/2.2=4, 2144/2.5=1 Peak 2157 from cnoeabs.peaks (3.13, 7.07, 131.51 ppm; 5.24 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PHE 48 + QD PHE 48 OK 100 100 - 100 - 2.5=100 HD2 ARG 84 - QD PHE 48 OK 10 77 - 13 - 2139/3.7=3, 641/4.4=2...(5) HD2 ARG 71 - QD PHE 48 poor 10 91 - 10 - 2139/3.7=2, 641/4.4=2...(4) HD3 ARG 84 - QD PHE 48 poor 9 72 - 12 - 2139/3.7=3, 641/4.4=2...(5) HD2 ARG 82 - QD PHE 48 poor 8 74 - 10 - 6.4/6079=4, 4.9/5868=2 Peak 2158 from cnoeabs.peaks (2.88, 7.07, 131.51 ppm; 5.12 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PHE 48 + QD PHE 48 OK 100 100 - 100 - 2.5=100 HB2 ASN 49 + QD PHE 48 OK 74 91 - 82 - 4.0/180=28, ~4493=23...(16) HB3 PHE 35 - QD PHE 48 OK 41 61 - 67 - 4.5/4550=9, 4865/4625=8...(20) HB2 PHE 35 - QD PHE 48 OK 38 56 - 67 - 4607/2.2=10, 4.5/4550=9...(21) HB2 ASP 67 - QD PHE 48 OK 22 91 - 25 - 647/4.5=4, 642/4.4=3...(14) Peak 2159 from cnoeabs.peaks (7.16, 7.07, 131.51 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 48 + QD PHE 48 OK 100 100 - 100 - 2.2=100 Peak 2160 from cnoeabs.peaks (7.07, 7.07, 131.51 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 48 + QD PHE 48 OK 99 99 - 100 Peak 2161 from cnoeabs.peaks (8.65, 4.14, 55.66 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HA ASN 49 OK 100 100 - 100 - 3.0=100 H VAL 45 - HA ASN 49 OK 25 68 - 36 - ~4487=7, 2167/3.0=6...(9) Peak 2162 from cnoeabs.peaks (4.14, 4.14, 55.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 49 + HA ASN 49 OK 100 100 - 100 Peak 2163 from cnoeabs.peaks (2.90, 4.14, 55.66 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ASN 49 + HA ASN 49 OK 100 100 - 100 - 3.0=100 HB3 PHE 48 + HA ASN 49 OK 65 90 - 72 - 2.5/4492=15, ~177=15...(15) HB2 ASP 67 - HA ASN 49 OK 28 100 - 28 - 2175/3.0=5, ~4488=4...(11) HB3 PHE 35 - HA ASN 49 OK 11 95 - 12 - 647/3.0=3, 2175/3.0=1...(5) Peak 2164 from cnoeabs.peaks (2.68, 4.14, 55.66 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 49 + HA ASN 49 OK 100 100 - 100 - 3.0=100 HB2 ASP 46 - HA ASN 49 OK 27 81 - 34 - 648/3.0=5, 2170/3.0=5...(11) HB2 ASP 47 - HA ASN 49 OK 27 96 - 29 - 648/3.0=7, 184/3.6=6...(8) HB2 ASN 80 - HA ASN 49 lone 2 71 - 3 - 3.5/4495=1 Peak 2165 from cnoeabs.peaks (6.86, 4.14, 55.66 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HA ASN 49 OK 100 100 - 100 - 4.4=100 HE22 GLN 79 + HA ASN 49 OK 46 100 - 46 - 2177/3.0=13, 2171/3.0=13...(5) Peak 2166 from cnoeabs.peaks (7.83, 4.14, 55.66 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HA ASN 49 OK 100 100 - 100 - 4.4=100 Peak 2167 from cnoeabs.peaks (8.65, 2.90, 37.13 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.96: * H ASN 49 + HB2 ASN 49 OK 96 100 - 96 - 4.0=87, 2173/1.8=28...(15) H VAL 45 - HB2 ASN 49 OK 30 68 - 44 - 3.0/4406=10, 2173/1.8=9...(10) Peak 2168 from cnoeabs.peaks (4.14, 2.90, 37.13 ppm; 3.85 A): 1 out of 9 assignments used, quality = 1.00: * HA ASN 49 + HB2 ASN 49 OK 100 100 - 100 - 3.0=100 HA ALA 30 - HB2 ASN 49 OK 18 100 - 18 - 2174/1.8=4, 3.6/3849=2...(7) HA ALA 53 - HB2 ASN 49 poor 8 71 - 11 - 182/4.2=4, 2174/1.8=2...(4) HA GLN 91 - HB2 ASN 49 lone 6 100 - 6 - 2174/1.8=2 HA LEU 29 - HB2 ASN 49 lone 5 78 - 6 - 182/4.2=1, 2174/1.8=1 HA ARG 23 - HB2 ASN 49 lone 4 96 - 4 - 2174/1.8=1 HA ARG 27 - HB2 ASN 49 lone 2 76 - 3 - HB THR 15 - HB2 ASN 49 lone 2 60 - 3 - HB THR 88 - HB2 ASN 49 lone 2 85 - 2 - Peak 2169 from cnoeabs.peaks (2.90, 2.90, 37.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 49 + HB2 ASN 49 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (2.68, 2.90, 37.13 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 49 + HB2 ASN 49 OK 100 100 - 100 - 1.8=100 HB2 ASP 46 - HB2 ASN 49 OK 26 81 - 33 - 3.0/4488=7, ~5360=4...(12) HB2 ASP 47 - HB2 ASN 49 OK 24 96 - 25 - 648/4.0=4, 2164/3.0=3...(9) HB2 ASN 80 - HB2 ASN 49 lone 1 71 - 1 - Peak 2171 from cnoeabs.peaks (6.86, 2.90, 37.13 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HB2 ASN 49 OK 100 100 - 100 - 3.5=100 HE22 GLN 79 - HB2 ASN 49 OK 44 100 - 44 - 2177/1.8=12, 437=9...(9) Peak 2172 from cnoeabs.peaks (7.83, 2.90, 37.13 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HB2 ASN 49 OK 100 100 - 100 - 3.5=100 Peak 2173 from cnoeabs.peaks (8.65, 2.68, 37.13 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.97: * H ASN 49 + HB3 ASN 49 OK 97 100 - 97 - 4.0=89, 2167/1.8=29...(12) H VAL 45 - HB3 ASN 49 OK 29 68 - 43 - 2167/1.8=9, 4.0/4411=7...(10) Peak 2174 from cnoeabs.peaks (4.14, 2.68, 37.13 ppm; 3.61 A): 1 out of 9 assignments used, quality = 1.00: * HA ASN 49 + HB3 ASN 49 OK 100 100 - 100 - 3.0=100 HA ALA 30 - HB3 ASN 49 OK 16 100 - 16 - 2168/1.8=4, 3.6/3850=2...(6) HA ALA 53 - HB3 ASN 49 lone 7 71 - 10 - 182/4.2=3, 2168/1.8=2...(4) HA GLN 91 - HB3 ASN 49 lone 5 100 - 5 - 2168/1.8=1 HA LEU 29 - HB3 ASN 49 lone 4 78 - 5 - 182/4.2=1, 2168/1.8=1 HA ARG 23 - HB3 ASN 49 lone 4 96 - 4 - HA ARG 27 - HB3 ASN 49 lone 2 76 - 3 - HB THR 15 - HB3 ASN 49 lone 2 60 - 3 - HB THR 88 - HB3 ASN 49 lone 2 85 - 2 - Peak 2175 from cnoeabs.peaks (2.90, 2.68, 37.13 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 49 + HB3 ASN 49 OK 100 100 - 100 - 1.8=100 HB3 PHE 48 - HB3 ASN 49 OK 35 90 - 39 - 4.3/2173=9, 2163/3.0=6...(11) HB2 ASP 67 - HB3 ASN 49 OK 23 100 - 23 - 3.0/5360=5, ~4488=3...(11) HB3 PHE 35 - HB3 ASN 49 lone 7 95 - 7 - 647/4.0=1 Peak 2176 from cnoeabs.peaks (2.68, 2.68, 37.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 49 + HB3 ASN 49 OK 100 100 - 100 Peak 2177 from cnoeabs.peaks (6.86, 2.68, 37.13 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 49 + HB3 ASN 49 OK 100 100 - 100 - 3.5=100 HE22 GLN 79 - HB3 ASN 49 OK 45 100 - 44 - 2171/1.8=12, 438=10...(9) Peak 2178 from cnoeabs.peaks (7.83, 2.68, 37.13 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HB3 ASN 49 OK 100 100 - 100 - 3.5=100 Peak 2179 from cnoeabs.peaks (7.73, 3.96, 59.12 ppm; 3.58 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.0=100 H MET 31 - HA GLN 61 OK 29 76 - 38 - 559/3.0=8, 4193=5...(12) H MET 31 - HA GLU 50 OK 23 83 - 27 - 4193=3, 187/3.6=3...(14) H GLU 50 - HA GLN 61 OK 22 97 - 23 - 652=6, 5672/5.7=2...(12) H ASN 42 - HA GLU 50 OK 22 98 - 22 - 187/3.6=8, 2197/3.7=3...(8) H ASN 42 - HA GLN 61 lone 5 93 - 6 - Peak 2180 from cnoeabs.peaks (3.96, 3.96, 59.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 50 + HA GLU 50 OK 100 100 - 100 HA GLN 61 + HA GLN 61 OK 97 97 - 100 Peak 2181 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 2 out of 32 assignments used, quality = 1.00: * HB2 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.0=100 HB3 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.0=100 HB3 MET 31 - HA GLN 61 OK 26 52 - 51 - ~1535=5, 4.3/5079=5...(24) HG2 PRO 44 - HA GLN 61 OK 26 95 - 27 - 1.8/2529=6, 5134/4.0=4...(8) HB3 GLU 50 - HA GLN 61 OK 20 97 - 21 - 2186=2, 3.9/652=2...(8) HB2 GLU 50 - HA GLN 61 OK 20 97 - 21 - 2186=2, 3.9/652=2...(8) HB2 GLU 87 - HA GLU 50 OK 16 98 - 17 - 3.0/2184=4, 3.0/2184=3...(6) HD3 ARG 69 - HA GLU 50 OK 16 97 - 17 - 3.0/4502=2, 3.9/4502=2...(6) HD2 ARG 69 - HA GLU 50 OK 16 97 - 17 - 3.0/4502=2, 3.9/4502=2...(6) HB3 MET 31 - HA GLU 50 OK 12 57 - 21 - 1.8/4203=2, 3.0/2526=2...(9) HB VAL 76 - HA GLU 50 lone 9 100 - 9 - 3162=1 HG2 PRO 44 - HA GLU 50 lone 8 99 - 8 - 189/3.6=2, 1.8/2529=1, 653/3.0=1 HB3 GLU 19 - HA GLU 50 lone 8 100 - 7 - 3.0/2184=1, 3.0/2184=1 HB VAL 76 - HA GLN 61 lone 7 96 - 7 - 4.0/812=1 HD2 ARG 69 - HA GLN 61 lone 6 92 - 6 - HD3 ARG 69 - HA GLN 61 lone 6 92 - 6 - HB2 GLU 25 - HA GLU 50 lone 6 95 - 6 - HB3 GLU 25 - HA GLU 50 lone 5 93 - 6 - HB VAL 45 - HA GLN 61 lone 4 65 - 6 - ~4410=2, ~5771=2, ~5770=1 HB3 PRO 56 - HA GLU 50 lone 2 98 - 2 - HG2 PRO 56 - HA GLU 50 lone 2 100 - 2 - HG2 PRO 56 - HA GLN 61 lone 2 96 - 2 - HB VAL 45 - HA GLU 50 lone 2 71 - 3 - 653/3.0=1 HB3 PRO 56 - HA GLN 61 lone 2 93 - 2 - HB2 GLU 25 - HA GLN 61 lone 2 89 - 2 - HB3 GLU 25 - HA GLN 61 lone 2 87 - 2 - HB3 GLN 91 - HA GLU 50 lone 2 100 - 2 - HB VAL 90 - HA GLU 50 lone 2 78 - 2 - HB2 GLU 87 - HA GLN 61 lone 1 93 - 1 - HB3 GLU 19 - HA GLN 61 lone 1 97 - 1 - HB VAL 90 - HA GLN 61 lone 1 72 - 1 - HB3 GLN 91 - HA GLN 61 lone 1 97 - 1 - Peak 2182 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 2 out of 32 assignments used, quality = 1.00: HB2 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.0=100 * HB3 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.0=100 HB3 MET 31 - HA GLN 61 OK 26 52 - 51 - ~1535=5, 4.3/5079=5...(24) HG2 PRO 44 - HA GLN 61 OK 26 95 - 27 - 1.8/2529=6, 5134/4.0=4...(8) HB3 GLU 50 - HA GLN 61 OK 20 97 - 21 - 2186=2, 3.9/652=2...(8) HB2 GLU 50 - HA GLN 61 OK 20 97 - 21 - 2186=2, 3.9/652=2...(8) HB2 GLU 87 - HA GLU 50 OK 16 98 - 17 - 3.0/2184=4, 3.0/2184=3...(6) HD3 ARG 69 - HA GLU 50 OK 16 97 - 17 - 3.0/4502=2, 3.9/4502=2...(6) HD2 ARG 69 - HA GLU 50 OK 16 97 - 17 - 3.0/4502=2, 3.9/4502=2...(6) HB3 MET 31 - HA GLU 50 OK 12 57 - 21 - 1.8/4203=2, 3.0/2526=2...(9) HB VAL 76 - HA GLU 50 lone 9 100 - 9 - 3162=1 HG2 PRO 44 - HA GLU 50 lone 8 99 - 8 - 189/3.6=2, 1.8/2529=1, 653/3.0=1 HB3 GLU 19 - HA GLU 50 lone 8 100 - 7 - 3.0/2184=1, 3.0/2184=1 HB VAL 76 - HA GLN 61 lone 7 96 - 7 - 4.0/812=1 HD2 ARG 69 - HA GLN 61 lone 6 92 - 6 - HD3 ARG 69 - HA GLN 61 lone 6 92 - 6 - HB2 GLU 25 - HA GLU 50 lone 6 95 - 6 - HB3 GLU 25 - HA GLU 50 lone 5 93 - 6 - HB VAL 45 - HA GLN 61 lone 4 65 - 6 - ~4410=2, ~5771=2, ~5770=1 HB3 PRO 56 - HA GLU 50 lone 2 98 - 2 - HG2 PRO 56 - HA GLU 50 lone 2 100 - 2 - HG2 PRO 56 - HA GLN 61 lone 2 96 - 2 - HB VAL 45 - HA GLU 50 lone 2 71 - 3 - 653/3.0=1 HB3 PRO 56 - HA GLN 61 lone 2 93 - 2 - HB2 GLU 25 - HA GLN 61 lone 2 89 - 2 - HB3 GLU 25 - HA GLN 61 lone 2 87 - 2 - HB3 GLN 91 - HA GLU 50 lone 2 100 - 2 - HB VAL 90 - HA GLU 50 lone 2 78 - 2 - HB2 GLU 87 - HA GLN 61 lone 1 93 - 1 - HB3 GLU 19 - HA GLN 61 lone 1 97 - 1 - HB VAL 90 - HA GLN 61 lone 1 72 - 1 - HB3 GLN 91 - HA GLN 61 lone 1 97 - 1 - Peak 2183 from cnoeabs.peaks (2.37, 3.96, 59.12 ppm; 4.24 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.7=100 HB VAL 65 - HA GLN 61 OK 28 81 - 34 - 4998/4.7=12, 3.8/5758=7...(10) HG2 GLU 50 - HA GLN 61 OK 20 97 - 20 - 2198=5, 4.9/652=3...(7) HB VAL 65 - HA GLU 50 OK 12 87 - 14 - 3.8/5758=3, 655/3.0=2...(5) HG3 MET 11 - HA GLU 50 lone 7 83 - 9 - 655/3.0=3, 2189/3.0=1 HG3 MET 11 - HA GLN 61 lone 6 76 - 7 - 4998/4.7=3 HG2 GLU 59 - HA GLU 50 lone 5 63 - 8 - 655/3.0=1, 2198=1 HG2 GLU 59 - HA GLN 61 lone 3 57 - 6 - 4998/4.7=3 Peak 2184 from cnoeabs.peaks (2.21, 3.96, 59.12 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 50 + HA GLU 50 OK 100 100 - 100 - 3.7=100 HG2 GLU 87 - HA GLU 50 OK 35 99 - 36 - 656/3.0=6, 2204=5...(12) HG3 GLU 87 - HA GLU 50 OK 35 98 - 36 - 656/3.0=5, 2204=5...(12) HG3 GLU 50 - HA GLN 61 OK 13 97 - 13 - 1.8/2198=3, 4.9/652=2...(6) HG3 GLU 19 - HA GLU 50 OK 12 73 - 15 - 2204=2, 656/3.0=2...(6) HG2 GLU 19 - HA GLU 50 OK 12 73 - 15 - 2204=2, 656/3.0=2...(6) HG2 GLU 87 - HA GLN 61 lone 2 94 - 2 - HG3 GLU 87 - HA GLN 61 lone 2 93 - 2 - HG2 GLU 19 - HA GLN 61 lone 1 67 - 1 - HG3 GLU 19 - HA GLN 61 lone 1 67 - 1 - Peak 2185 from cnoeabs.peaks (7.73, 2.04, 29.07 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.96: H GLU 50 + HB3 GLU 50 OK 79 100 - 79 - 3.9=61, 655/3.0=17...(7) * H GLU 50 + HB2 GLU 50 OK 79 100 - 79 - 3.9=61, 655/3.0=17...(7) H MET 31 - HB3 GLU 50 OK 16 83 - 19 - 2179/3.0=3, 2197/3.0=2...(9) H MET 31 - HB2 GLU 50 OK 16 83 - 19 - 2179/3.0=3, 2197/3.0=2...(9) H ASN 42 - HB2 GLU 50 OK 14 98 - 15 - 187/4.7=5, 2197/3.0=3...(5) H ASN 42 - HB3 GLU 50 OK 14 98 - 15 - 187/4.7=5, 2197/3.0=3...(5) H GLU 50 - HB2 GLU 25 lone 4 76 - 5 - H GLU 50 - HB3 GLU 25 lone 4 74 - 5 - H MET 31 - HB2 GLU 25 lone 3 56 - 6 - 557/1.8=1 H MET 31 - HB3 GLU 25 lone 3 55 - 6 - H ASN 42 - HB2 GLU 25 lone 1 72 - 1 - H ASN 42 - HB3 GLU 25 lone 1 70 - 1 - Peak 2186 from cnoeabs.peaks (3.96, 2.04, 29.07 ppm; 3.34 A): 2 out of 40 assignments used, quality = 1.00: HA GLU 50 + HB3 GLU 50 OK 100 100 - 100 - 3.0=100 * HA GLU 50 + HB2 GLU 50 OK 100 100 - 100 - 3.0=100 HA ALA 28 - HB2 GLU 25 OK 25 74 - 34 - ~4181=4, ~5512=3...(17) HA ALA 28 - HB3 GLU 25 OK 25 73 - 34 - ~4181=4, ~5512=3...(17) HA GLN 61 - HB3 GLU 50 OK 22 100 - 22 - 2181=2, 652/3.9=2...(10) HA GLN 61 - HB2 GLU 50 OK 22 100 - 22 - 2181=2, 652/3.9=2...(10) HA VAL 76 - HB3 GLU 50 OK 14 100 - 14 - 3158=2, 3158/1.8=2...(4) HA VAL 76 - HB2 GLU 50 OK 14 100 - 14 - 3158=2, 3158/1.8=2...(4) HA ALA 28 - HB2 GLU 50 OK 12 99 - 12 - 4182/3.9=1, 2198/3.0=1 HA ALA 28 - HB3 GLU 50 OK 12 99 - 12 - 4182/3.9=1, 2198/3.0=1 HA2 GLY 21 - HB3 GLU 50 lone 7 96 - 7 - HA2 GLY 21 - HB2 GLU 50 lone 7 96 - 7 - HA3 GLY 21 - HB2 GLU 50 lone 7 95 - 7 - HA3 GLY 21 - HB3 GLU 50 lone 7 95 - 7 - HA THR 37 - HB2 GLU 25 poor 7 40 - 17 - ~5105=4, ~5513=3...(6) HA THR 37 - HB3 GLU 25 poor 7 40 - 17 - ~5105=4, ~5513=3...(6) HA2 GLY 21 - HB2 GLU 25 lone 6 68 - 10 - 3.5/4152=3, 5284/3.0=1, ~5284=1 HA2 GLY 21 - HB3 GLU 25 lone 6 67 - 10 - 3.5/4152=3, 5284/3.0=1, ~5284=1 HA3 GLY 21 - HB2 GLU 25 lone 6 67 - 10 - 3.5/4152=3, 5284/3.0=2, ~5284=1 HA3 GLY 21 - HB3 GLU 25 lone 6 66 - 10 - 3.5/4152=3, 5284/3.0=2, ~5284=1 HA LYS 32 - HB2 GLU 50 lone 5 95 - 6 - HA LYS 32 - HB3 GLU 50 lone 5 95 - 6 - HA GLU 50 - HB2 GLU 25 lone 5 76 - 6 - HA GLU 50 - HB3 GLU 25 lone 5 74 - 6 - HA VAL 76 - HB2 GLU 25 lone 5 75 - 6 - 3158=1 HA VAL 76 - HB3 GLU 25 lone 5 74 - 6 - HA ARG 66 - HB2 GLU 50 lone 4 95 - 4 - HA ARG 66 - HB3 GLU 50 lone 4 95 - 4 - HA2 GLY 72 - HB2 GLU 50 lone 3 100 - 3 - HA2 GLY 72 - HB3 GLU 50 lone 3 100 - 3 - HA GLN 61 - HB2 GLU 25 lone 2 76 - 2 - HA GLN 61 - HB3 GLU 25 lone 2 74 - 2 - HA THR 37 - HB2 GLU 50 lone 2 63 - 2 - HA THR 37 - HB3 GLU 50 lone 2 63 - 2 - HA2 GLY 72 - HB2 GLU 25 lone 1 76 - 2 - HA2 GLY 72 - HB3 GLU 25 lone 1 74 - 2 - HA LYS 32 - HB2 GLU 25 lone 1 67 - 2 - HA LYS 32 - HB3 GLU 25 lone 1 66 - 2 - HA ARG 66 - HB2 GLU 25 lone 1 67 - 2 - HA ARG 66 - HB3 GLU 25 lone 1 66 - 2 - Peak 2187 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Peak 2188 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Reference assignment not found: HB3 GLU 50 - HB2 GLU 50 Peak 2189 from cnoeabs.peaks (2.37, 2.04, 29.07 ppm; 3.69 A): 2 out of 16 assignments used, quality = 1.00: * HG2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 - 3.0=100 HG2 GLU 50 + HB3 GLU 50 OK 100 100 - 100 - 3.0=100 HG3 MET 11 - HB3 GLU 50 lone 8 83 - 9 - 655/3.9=2, 3.7/4510=2 HG3 MET 11 - HB2 GLU 50 lone 8 83 - 9 - 655/3.9=2, 3.7/4510=2 HB VAL 65 - HB2 GLU 50 lone 6 87 - 7 - 2183/3.0=2, 655/3.9=1 HB VAL 65 - HB3 GLU 50 lone 6 87 - 7 - 2183/3.0=2, 655/3.9=1 HG2 GLU 50 - HB2 GLU 25 lone 5 76 - 7 - HG2 GLU 50 - HB3 GLU 25 lone 5 74 - 7 - HG2 GLU 59 - HB2 GLU 50 lone 5 63 - 8 - HG2 GLU 59 - HB3 GLU 50 lone 5 63 - 8 - HG2 GLU 59 - HB2 GLU 25 poor 5 40 - 12 - 1.8/1354=1, 2505/3.0=1 HG2 GLU 59 - HB3 GLU 25 poor 5 40 - 12 - 1.8/1354=1, 2505/3.0=1 HB VAL 65 - HB2 GLU 25 lone 1 59 - 1 - HB VAL 65 - HB3 GLU 25 lone 1 58 - 1 - HG3 MET 11 - HB2 GLU 25 lone 1 56 - 1 - HG3 MET 11 - HB3 GLU 25 lone 1 55 - 1 - Peak 2190 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 20 assignments used, quality = 1.00: HG3 GLU 50 + HB3 GLU 50 OK 94 100 - 94 - 3.0=93, 656/3.9=6...(4) * HG3 GLU 50 + HB2 GLU 50 OK 94 100 - 94 - 3.0=93, 656/3.9=6...(4) HG2 GLU 87 - HB2 GLU 50 OK 24 99 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG2 GLU 87 - HB3 GLU 50 OK 24 99 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 87 - HB3 GLU 50 OK 24 98 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 87 - HB2 GLU 50 OK 24 98 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 19 - HB3 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB2 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB3 GLU 50 poor 8 73 - 11 - HG3 GLU 19 - HB2 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB2 GLU 25 lone 3 48 - 7 - HG3 GLU 19 - HB2 GLU 25 lone 3 48 - 7 - HG2 GLU 19 - HB3 GLU 25 lone 3 47 - 7 - HG3 GLU 19 - HB3 GLU 25 lone 3 47 - 7 - HG3 GLU 50 - HB2 GLU 25 lone 3 76 - 4 - HG3 GLU 50 - HB3 GLU 25 lone 3 74 - 4 - HG2 GLU 87 - HB2 GLU 25 lone 1 72 - 2 - HG3 GLU 87 - HB2 GLU 25 lone 1 72 - 2 - HG2 GLU 87 - HB3 GLU 25 lone 1 71 - 2 - HG3 GLU 87 - HB3 GLU 25 lone 1 70 - 2 - Peak 2191 from cnoeabs.peaks (7.73, 2.04, 29.07 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.96: * H GLU 50 + HB3 GLU 50 OK 79 100 - 79 - 3.9=61, 655/3.0=17...(7) H GLU 50 + HB2 GLU 50 OK 79 100 - 79 - 3.9=61, 655/3.0=17...(7) H MET 31 - HB3 GLU 50 OK 16 83 - 19 - 2179/3.0=3, 2197/3.0=2...(9) H MET 31 - HB2 GLU 50 OK 16 83 - 19 - 2179/3.0=3, 2197/3.0=2...(9) H ASN 42 - HB2 GLU 50 OK 14 98 - 15 - 187/4.7=5, 2197/3.0=3...(5) H ASN 42 - HB3 GLU 50 OK 14 98 - 15 - 187/4.7=5, 2197/3.0=3...(5) H GLU 50 - HB2 GLU 25 lone 4 76 - 5 - H GLU 50 - HB3 GLU 25 lone 4 74 - 5 - H MET 31 - HB2 GLU 25 lone 3 56 - 6 - 557/1.8=1 H MET 31 - HB3 GLU 25 lone 3 55 - 6 - H ASN 42 - HB2 GLU 25 lone 1 72 - 1 - H ASN 42 - HB3 GLU 25 lone 1 70 - 1 - Peak 2192 from cnoeabs.peaks (3.96, 2.04, 29.07 ppm; 3.34 A): 2 out of 40 assignments used, quality = 1.00: * HA GLU 50 + HB3 GLU 50 OK 100 100 - 100 - 3.0=100 HA GLU 50 + HB2 GLU 50 OK 100 100 - 100 - 3.0=100 HA ALA 28 - HB2 GLU 25 OK 25 74 - 34 - ~4181=4, ~5512=3...(17) HA ALA 28 - HB3 GLU 25 OK 25 73 - 34 - ~4181=4, ~5512=3...(17) HA GLN 61 - HB3 GLU 50 OK 22 100 - 22 - 2181=2, 652/3.9=2...(10) HA GLN 61 - HB2 GLU 50 OK 22 100 - 22 - 2181=2, 652/3.9=2...(10) HA VAL 76 - HB3 GLU 50 OK 14 100 - 14 - 3158=2, 3158/1.8=2...(4) HA VAL 76 - HB2 GLU 50 OK 14 100 - 14 - 3158=2, 3158/1.8=2...(4) HA ALA 28 - HB2 GLU 50 OK 12 99 - 12 - 4182/3.9=1, 2198/3.0=1 HA ALA 28 - HB3 GLU 50 OK 12 99 - 12 - 4182/3.9=1, 2198/3.0=1 HA2 GLY 21 - HB3 GLU 50 lone 7 96 - 7 - HA2 GLY 21 - HB2 GLU 50 lone 7 96 - 7 - HA3 GLY 21 - HB2 GLU 50 lone 7 95 - 7 - HA3 GLY 21 - HB3 GLU 50 lone 7 95 - 7 - HA THR 37 - HB2 GLU 25 poor 7 40 - 17 - ~5105=4, ~5513=3...(6) HA THR 37 - HB3 GLU 25 poor 7 40 - 17 - ~5105=4, ~5513=3...(6) HA2 GLY 21 - HB2 GLU 25 lone 6 68 - 10 - 3.5/4152=3, 5284/3.0=1, ~5284=1 HA2 GLY 21 - HB3 GLU 25 lone 6 67 - 10 - 3.5/4152=3, 5284/3.0=1, ~5284=1 HA3 GLY 21 - HB2 GLU 25 lone 6 67 - 10 - 3.5/4152=3, 5284/3.0=2, ~5284=1 HA3 GLY 21 - HB3 GLU 25 lone 6 66 - 10 - 3.5/4152=3, 5284/3.0=2, ~5284=1 HA LYS 32 - HB2 GLU 50 lone 5 95 - 6 - HA LYS 32 - HB3 GLU 50 lone 5 95 - 6 - HA GLU 50 - HB2 GLU 25 lone 5 76 - 6 - HA GLU 50 - HB3 GLU 25 lone 5 74 - 6 - HA VAL 76 - HB2 GLU 25 lone 5 75 - 6 - 3158=1 HA VAL 76 - HB3 GLU 25 lone 5 74 - 6 - HA ARG 66 - HB2 GLU 50 lone 4 95 - 4 - HA ARG 66 - HB3 GLU 50 lone 4 95 - 4 - HA2 GLY 72 - HB2 GLU 50 lone 3 100 - 3 - HA2 GLY 72 - HB3 GLU 50 lone 3 100 - 3 - HA GLN 61 - HB2 GLU 25 lone 2 76 - 2 - HA GLN 61 - HB3 GLU 25 lone 2 74 - 2 - HA THR 37 - HB2 GLU 50 lone 2 63 - 2 - HA THR 37 - HB3 GLU 50 lone 2 63 - 2 - HA2 GLY 72 - HB2 GLU 25 lone 1 76 - 2 - HA2 GLY 72 - HB3 GLU 25 lone 1 74 - 2 - HA LYS 32 - HB2 GLU 25 lone 1 67 - 2 - HA LYS 32 - HB3 GLU 25 lone 1 66 - 2 - HA ARG 66 - HB2 GLU 25 lone 1 67 - 2 - HA ARG 66 - HB3 GLU 25 lone 1 66 - 2 - Peak 2193 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Reference assignment not found: HB2 GLU 50 - HB3 GLU 50 Peak 2194 from cnoeabs.peaks (2.04, 2.04, 29.07 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 * HB3 GLU 50 + HB3 GLU 50 OK 100 100 - 100 HB2 GLU 25 + HB2 GLU 25 OK 67 67 - 100 HB3 GLU 25 + HB3 GLU 25 OK 64 64 - 100 Peak 2195 from cnoeabs.peaks (2.37, 2.04, 29.07 ppm; 3.69 A): 2 out of 16 assignments used, quality = 1.00: HG2 GLU 50 + HB2 GLU 50 OK 100 100 - 100 - 3.0=100 * HG2 GLU 50 + HB3 GLU 50 OK 100 100 - 100 - 3.0=100 HG3 MET 11 - HB3 GLU 50 lone 8 83 - 9 - 655/3.9=2, 3.7/4510=2 HG3 MET 11 - HB2 GLU 50 lone 8 83 - 9 - 655/3.9=2, 3.7/4510=2 HB VAL 65 - HB2 GLU 50 lone 6 87 - 7 - 2183/3.0=2, 655/3.9=1 HB VAL 65 - HB3 GLU 50 lone 6 87 - 7 - 2183/3.0=2, 655/3.9=1 HG2 GLU 50 - HB2 GLU 25 lone 5 76 - 7 - HG2 GLU 50 - HB3 GLU 25 lone 5 74 - 7 - HG2 GLU 59 - HB2 GLU 50 lone 5 63 - 8 - HG2 GLU 59 - HB3 GLU 50 lone 5 63 - 8 - HG2 GLU 59 - HB2 GLU 25 poor 5 40 - 12 - 1.8/1354=1, 2505/3.0=1 HG2 GLU 59 - HB3 GLU 25 poor 5 40 - 12 - 1.8/1354=1, 2505/3.0=1 HB VAL 65 - HB2 GLU 25 lone 1 59 - 1 - HB VAL 65 - HB3 GLU 25 lone 1 58 - 1 - HG3 MET 11 - HB2 GLU 25 lone 1 56 - 1 - HG3 MET 11 - HB3 GLU 25 lone 1 55 - 1 - Peak 2196 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 20 assignments used, quality = 1.00: * HG3 GLU 50 + HB3 GLU 50 OK 94 100 - 94 - 3.0=93, 656/3.9=6...(4) HG3 GLU 50 + HB2 GLU 50 OK 94 100 - 94 - 3.0=93, 656/3.9=6...(4) HG2 GLU 87 - HB2 GLU 50 OK 24 99 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG2 GLU 87 - HB3 GLU 50 OK 24 99 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 87 - HB3 GLU 50 OK 24 98 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 87 - HB2 GLU 50 OK 24 98 - 24 - 2202/3.0=3, 2184/3.0=3...(11) HG3 GLU 19 - HB3 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB2 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB3 GLU 50 poor 8 73 - 11 - HG3 GLU 19 - HB2 GLU 50 poor 8 73 - 11 - HG2 GLU 19 - HB2 GLU 25 lone 3 48 - 7 - HG3 GLU 19 - HB2 GLU 25 lone 3 48 - 7 - HG2 GLU 19 - HB3 GLU 25 lone 3 47 - 7 - HG3 GLU 19 - HB3 GLU 25 lone 3 47 - 7 - HG3 GLU 50 - HB2 GLU 25 lone 3 76 - 4 - HG3 GLU 50 - HB3 GLU 25 lone 3 74 - 4 - HG2 GLU 87 - HB2 GLU 25 lone 1 72 - 2 - HG3 GLU 87 - HB2 GLU 25 lone 1 72 - 2 - HG2 GLU 87 - HB3 GLU 25 lone 1 71 - 2 - HG3 GLU 87 - HB3 GLU 25 lone 1 70 - 2 - Peak 2197 from cnoeabs.peaks (7.73, 2.37, 36.01 ppm; 4.07 A): 3 out of 6 assignments used, quality = 0.84: * H GLU 50 + HG2 GLU 50 OK 78 100 - 78 - 4.9=57, 656/1.8=20...(6) H ASN 42 + HG2 GLU 50 OK 15 98 - 15 - 2179/3.7=3, 2203/1.8=3...(6) H MET 31 + HG2 GLU 50 OK 14 83 - 17 - 2179/3.7=3, 2203/1.8=3...(6) H GLU 50 - HG2 GLU 59 lone 4 63 - 6 - 655=2 H MET 31 - HG2 GLU 59 lone 2 45 - 5 - 557/3.0=1, 557/3.0=1 H ASN 42 - HG2 GLU 59 lone 1 59 - 2 - Peak 2198 from cnoeabs.peaks (3.96, 2.37, 36.01 ppm; 3.95 A): 1 out of 20 assignments used, quality = 1.00: * HA GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 3.7=100 HA GLN 61 - HG2 GLU 50 OK 18 100 - 18 - 2183=4, 2184/1.8=2...(7) HA ALA 28 - HG2 GLU 50 lone 10 99 - 10 - 4182/4.9=2, 5529/3.0=1...(4) HA VAL 76 - HG2 GLU 50 lone 9 100 - 9 - 3158/3.0=2, 3158/3.0=2...(4) HA2 GLY 21 - HG2 GLU 50 lone 6 96 - 6 - HA3 GLY 21 - HG2 GLU 50 lone 6 95 - 6 - HA ARG 66 - HG2 GLU 50 lone 5 95 - 5 - 3.0/273=2 HA GLU 50 - HG2 GLU 59 lone 4 63 - 7 - 3.0/655=1, 2183=1 HA LYS 32 - HG2 GLU 50 lone 4 95 - 4 - HA GLN 61 - HG2 GLU 59 lone 3 63 - 5 - 4.7/4998=3 HA2 GLY 72 - HG2 GLU 50 lone 3 100 - 3 - HA THR 37 - HG2 GLU 59 lone 2 32 - 5 - HA ARG 66 - HG2 GLU 59 lone 1 55 - 3 - 3.0/273=1 HA THR 37 - HG2 GLU 50 lone 1 63 - 2 - HA ALA 28 - HG2 GLU 59 lone 1 61 - 2 - HA VAL 76 - HG2 GLU 59 lone 1 62 - 2 - HA LYS 32 - HG2 GLU 59 lone 1 55 - 1 - HA2 GLY 72 - HG2 GLU 59 lone 1 63 - 1 - HA2 GLY 21 - HG2 GLU 59 lone 1 56 - 1 - HA3 GLY 21 - HG2 GLU 59 lone 1 55 - 1 - Peak 2199 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 32 assignments used, quality = 1.00: * HB2 GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 3.0=100 HB3 GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 3.0=100 HB2 GLU 87 - HG2 GLU 50 OK 16 98 - 17 - 3.0/2202=4, 3.0/2202=4 HG2 PRO 44 - HG2 GLU 59 OK 11 60 - 19 - 2084/4.2=2, ~2507=2...(10) HD3 ARG 69 - HG2 GLU 50 lone 9 97 - 9 - 3.9/4938=2, 3.0/4938=2 HD2 ARG 69 - HG2 GLU 50 lone 9 97 - 9 - 3.9/4938=2, 3.0/4938=2 HB3 GLU 19 - HG2 GLU 50 lone 8 100 - 8 - 3.0/2202=1, 3.0/2202=1 HB2 GLU 25 - HG2 GLU 59 lone 5 55 - 9 - HB2 GLU 25 - HG2 GLU 50 lone 5 95 - 5 - HB3 GLU 25 - HG2 GLU 59 lone 5 54 - 9 - HB3 GLU 25 - HG2 GLU 50 lone 5 93 - 5 - HG2 PRO 44 - HG2 GLU 50 lone 5 99 - 5 - 4439/4511=1 HB VAL 76 - HG2 GLU 50 lone 5 100 - 5 - 3.0/2198=1 HB3 MET 31 - HG2 GLU 50 lone 5 57 - 8 - 4.0/2197=2, ~4512=1 HB3 GLU 50 - HG2 GLU 59 lone 4 63 - 6 - HB2 GLU 50 - HG2 GLU 59 lone 4 63 - 6 - HG2 PRO 56 - HG2 GLU 59 lone 2 62 - 3 - HB3 PRO 56 - HG2 GLU 50 lone 2 98 - 2 - HB3 PRO 56 - HG2 GLU 59 lone 2 59 - 3 - HG2 PRO 56 - HG2 GLU 50 lone 2 100 - 2 - HB VAL 45 - HG2 GLU 50 lone 1 71 - 2 - HB3 GLN 91 - HG2 GLU 50 lone 1 100 - 1 - HB VAL 90 - HG2 GLU 50 lone 1 78 - 1 - HD3 ARG 69 - HG2 GLU 59 lone 1 58 - 1 - HD2 ARG 69 - HG2 GLU 59 lone 1 58 - 1 - HB VAL 76 - HG2 GLU 59 lone 1 62 - 1 - HB3 MET 31 - HG2 GLU 59 lone 1 29 - 2 - HB3 GLU 19 - HG2 GLU 59 lone 0 63 - 1 - HB2 GLU 87 - HG2 GLU 59 lone 0 59 - 1 - HB3 GLN 91 - HG2 GLU 59 lone 0 63 - 0 - HB VAL 45 - HG2 GLU 59 lone 0 37 - 1 - HB VAL 90 - HG2 GLU 59 lone 0 42 - 1 - Peak 2200 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 32 assignments used, quality = 1.00: HB2 GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 3.0=100 * HB3 GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 3.0=100 HB2 GLU 87 - HG2 GLU 50 OK 16 98 - 17 - 3.0/2202=4, 3.0/2202=4 HG2 PRO 44 - HG2 GLU 59 OK 11 60 - 19 - 2084/4.2=2, ~2507=2...(10) HD3 ARG 69 - HG2 GLU 50 lone 9 97 - 9 - 3.9/4938=2, 3.0/4938=2 HD2 ARG 69 - HG2 GLU 50 lone 9 97 - 9 - 3.9/4938=2, 3.0/4938=2 HB3 GLU 19 - HG2 GLU 50 lone 8 100 - 8 - 3.0/2202=1, 3.0/2202=1 HB2 GLU 25 - HG2 GLU 59 lone 5 55 - 9 - HB2 GLU 25 - HG2 GLU 50 lone 5 95 - 5 - HB3 GLU 25 - HG2 GLU 59 lone 5 54 - 9 - HB3 GLU 25 - HG2 GLU 50 lone 5 93 - 5 - HG2 PRO 44 - HG2 GLU 50 lone 5 99 - 5 - 4439/4511=1 HB VAL 76 - HG2 GLU 50 lone 5 100 - 5 - 3.0/2198=1 HB3 MET 31 - HG2 GLU 50 lone 5 57 - 8 - 4.0/2197=2, ~4512=1 HB3 GLU 50 - HG2 GLU 59 lone 4 63 - 6 - HB2 GLU 50 - HG2 GLU 59 lone 4 63 - 6 - HG2 PRO 56 - HG2 GLU 59 lone 2 62 - 3 - HB3 PRO 56 - HG2 GLU 50 lone 2 98 - 2 - HB3 PRO 56 - HG2 GLU 59 lone 2 59 - 3 - HG2 PRO 56 - HG2 GLU 50 lone 2 100 - 2 - HB VAL 45 - HG2 GLU 50 lone 1 71 - 2 - HB3 GLN 91 - HG2 GLU 50 lone 1 100 - 1 - HB VAL 90 - HG2 GLU 50 lone 1 78 - 1 - HD3 ARG 69 - HG2 GLU 59 lone 1 58 - 1 - HD2 ARG 69 - HG2 GLU 59 lone 1 58 - 1 - HB VAL 76 - HG2 GLU 59 lone 1 62 - 1 - HB3 MET 31 - HG2 GLU 59 lone 1 29 - 2 - HB3 GLU 19 - HG2 GLU 59 lone 0 63 - 1 - HB2 GLU 87 - HG2 GLU 59 lone 0 59 - 1 - HB3 GLN 91 - HG2 GLU 59 lone 0 63 - 0 - HB VAL 45 - HG2 GLU 59 lone 0 37 - 1 - HB VAL 90 - HG2 GLU 59 lone 0 42 - 1 - Peak 2201 from cnoeabs.peaks (2.37, 2.37, 36.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 50 + HG2 GLU 50 OK 100 100 - 100 HG2 GLU 59 - HG2 GLU 59 OK 32 32 - 100 Peak 2202 from cnoeabs.peaks (2.21, 2.37, 36.01 ppm; 2.68 A): 1 out of 10 assignments used, quality = 1.00: * HG3 GLU 50 + HG2 GLU 50 OK 100 100 - 100 - 1.8=100 HG2 GLU 87 - HG2 GLU 50 OK 19 99 - 20 - 2207=6, 1.8/2207=4...(6) HG3 GLU 87 - HG2 GLU 50 OK 19 98 - 20 - 2207=6, 1.8/2207=4...(6) HG2 GLU 19 - HG2 GLU 50 lone 6 73 - 8 - 2207=2, 1.8/2207=1 HG3 GLU 19 - HG2 GLU 50 lone 6 73 - 8 - 2207=2, 1.8/2207=1 HG3 GLU 50 - HG2 GLU 59 lone 2 63 - 4 - HG2 GLU 87 - HG2 GLU 59 lone 0 60 - 1 - HG3 GLU 87 - HG2 GLU 59 lone 0 59 - 1 - HG2 GLU 19 - HG2 GLU 59 lone 0 39 - 0 - HG3 GLU 19 - HG2 GLU 59 lone 0 39 - 0 - Peak 2203 from cnoeabs.peaks (7.73, 2.21, 36.01 ppm; 4.11 A): 3 out of 15 assignments used, quality = 0.92: * H GLU 50 + HG3 GLU 50 OK 81 100 - 81 - 4.9=58, 655/1.8=33...(6) H GLU 50 + HG2 GLU 87 OK 37 99 - 38 - 656=10, 656/1.8=8...(10) H GLU 50 + HG3 GLU 87 OK 36 98 - 37 - 656=10, 656/1.8=8...(10) H ASN 42 - HG3 GLU 50 OK 16 98 - 16 - 2197/1.8=5, 2179/3.7=3...(6) H MET 31 - HG3 GLU 50 OK 15 83 - 19 - 2197/1.8=5, 2179/3.7=3...(6) H GLU 50 - HG2 GLU 19 OK 11 73 - 15 - 656=3, 656/1.8=3...(5) H GLU 50 - HG3 GLU 19 OK 11 73 - 15 - 656=3, 656/1.8=3...(5) H ASN 42 - HG2 GLU 87 lone 3 96 - 3 - H ASN 42 - HG3 GLU 87 lone 3 95 - 3 - H ASN 42 - HG2 GLU 19 lone 3 69 - 4 - 4354/3.9=1 H ASN 42 - HG3 GLU 19 lone 3 69 - 4 - 4354/3.9=1 H MET 31 - HG2 GLU 87 lone 2 79 - 3 - H MET 31 - HG3 GLU 87 lone 2 78 - 3 - H MET 31 - HG2 GLU 19 lone 1 54 - 2 - H MET 31 - HG3 GLU 19 lone 1 54 - 2 - Peak 2204 from cnoeabs.peaks (3.96, 2.21, 36.01 ppm; 3.92 A): 1 out of 50 assignments used, quality = 1.00: * HA GLU 50 + HG3 GLU 50 OK 100 100 - 100 - 3.7=100 HA GLU 50 - HG2 GLU 87 OK 41 99 - 42 - 2184=8, 2184/1.8=7...(12) HA GLU 50 - HG3 GLU 87 OK 41 98 - 42 - 2184=8, 2184/1.8=7...(12) HA GLN 61 - HG3 GLU 50 OK 15 100 - 15 - 2198/1.8=4, 2184=3...(6) HA GLU 50 - HG2 GLU 19 OK 14 73 - 18 - 2184=3, 2184/1.8=2...(6) HA GLU 50 - HG3 GLU 19 OK 14 73 - 18 - 2184=3, 2184/1.8=2...(6) HA ALA 28 - HG3 GLU 50 lone 10 99 - 10 - 2198/1.8=2, 4182/4.9=2...(4) HA VAL 76 - HG3 GLU 50 lone 9 100 - 9 - 2198/1.8=2, 3158/3.0=2 HA2 GLY 21 - HG3 GLU 50 lone 6 96 - 6 - 2198/1.8=1 HA3 GLY 21 - HG3 GLU 50 lone 6 95 - 6 - 2198/1.8=1 HA2 GLY 21 - HG3 GLU 19 lone 4 66 - 6 - 5284/1.8=1, ~5284=1 HA2 GLY 21 - HG2 GLU 19 lone 4 66 - 6 - 5284/1.8=1, ~5284=1 HA3 GLY 21 - HG2 GLU 19 lone 4 65 - 6 - 5284/1.8=1, ~5284=1 HA3 GLY 21 - HG3 GLU 19 lone 4 65 - 6 - 5284/1.8=1, ~5284=1 HA LYS 32 - HG3 GLU 50 lone 4 95 - 4 - HA ARG 66 - HG3 GLU 50 lone 4 95 - 4 - ~273=1, 2198/1.8=1 HA ALA 28 - HG3 GLU 19 lone 3 71 - 4 - HA ALA 28 - HG2 GLU 19 lone 3 71 - 4 - HA GLN 61 - HG2 GLU 87 lone 3 99 - 3 - HA GLN 61 - HG3 GLU 87 lone 3 98 - 3 - HA ALA 28 - HG2 GLU 87 lone 2 97 - 3 - HA ALA 28 - HG3 GLU 87 lone 2 97 - 3 - HA2 GLY 72 - HG3 GLU 50 lone 2 100 - 2 - HA VAL 76 - HG2 GLU 87 lone 2 98 - 2 - HA VAL 76 - HG3 GLU 87 lone 2 98 - 2 - HA2 GLY 21 - HG2 GLU 87 lone 2 93 - 2 - HA2 GLY 21 - HG3 GLU 87 lone 2 92 - 2 - HA3 GLY 21 - HG2 GLU 87 lone 2 91 - 2 - HA3 GLY 21 - HG3 GLU 87 lone 2 91 - 2 - HA VAL 76 - HG3 GLU 19 lone 2 73 - 2 - HA VAL 76 - HG2 GLU 19 lone 2 73 - 2 - HA2 GLY 72 - HG2 GLU 87 lone 1 99 - 1 - HA2 GLY 72 - HG3 GLU 87 lone 1 98 - 1 - HA ARG 66 - HG2 GLU 87 lone 1 91 - 1 - HA ARG 66 - HG3 GLU 87 lone 1 91 - 1 - HA GLN 61 - HG2 GLU 19 lone 1 73 - 2 - HA GLN 61 - HG3 GLU 19 lone 1 73 - 2 - HA THR 37 - HG3 GLU 50 lone 1 63 - 2 - HA LYS 32 - HG2 GLU 87 lone 1 91 - 1 - HA LYS 32 - HG3 GLU 87 lone 1 91 - 1 - HA2 GLY 72 - HG3 GLU 19 lone 1 73 - 1 - HA2 GLY 72 - HG2 GLU 19 lone 1 73 - 1 - HA THR 37 - HG2 GLU 87 lone 1 60 - 1 - HA THR 37 - HG3 GLU 87 lone 1 59 - 1 - HA ARG 66 - HG2 GLU 19 lone 1 65 - 1 - HA ARG 66 - HG3 GLU 19 lone 1 65 - 1 - HA THR 37 - HG2 GLU 19 lone 1 39 - 2 - HA THR 37 - HG3 GLU 19 lone 1 39 - 2 - HA LYS 32 - HG2 GLU 19 lone 1 65 - 1 - HA LYS 32 - HG3 GLU 19 lone 1 65 - 1 - Peak 2205 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 6 out of 80 assignments used, quality = 1.00: HB3 GLU 50 + HG3 GLU 50 OK 72 100 - 72 - 3.0=66, 1.8/2190=7...(6) * HB2 GLU 50 + HG3 GLU 50 OK 72 100 - 72 - 3.0=66, 1.8/2190=7...(6) HB2 GLU 87 + HG2 GLU 87 OK 67 96 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB2 GLU 87 + HG3 GLU 87 OK 67 95 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB3 GLU 19 + HG2 GLU 19 OK 52 73 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 + HG3 GLU 19 OK 52 73 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 - HG2 GLU 87 OK 26 99 - 27 - 3566=3, 3557/4.0=2...(9) HB3 GLU 19 - HG3 GLU 87 OK 26 98 - 27 - 3566=3, 3557/4.0=2...(9) HB2 GLU 50 - HG2 GLU 87 OK 21 99 - 21 - 2190=2, 3.0/2202=2...(9) HB3 GLU 50 - HG2 GLU 87 OK 21 99 - 21 - 2190=2, 3.0/2202=2...(9) HB3 GLU 50 - HG3 GLU 87 OK 21 98 - 21 - 2190=2, 3.0/2202=2...(11) HB2 GLU 50 - HG3 GLU 87 OK 21 98 - 21 - 2196=2, 3.0/2202=2...(11) HB2 GLU 87 - HG3 GLU 19 OK 19 69 - 28 - 3566=3, 3566/1.8=2...(10) HB2 GLU 87 - HG2 GLU 19 OK 19 69 - 28 - 3566=3, 3566/1.8=2...(10) HB3 GLN 91 - HG2 GLU 87 lone 8 99 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 8 98 - 8 - HB2 GLU 87 - HG3 GLU 50 lone 7 98 - 8 - 2199/1.8=1, ~2202=1 HB2 GLU 50 - HG3 GLU 19 lone 7 73 - 9 - HB3 GLU 50 - HG3 GLU 19 lone 7 73 - 9 - HB3 GLU 50 - HG2 GLU 19 lone 7 73 - 9 - HB2 GLU 50 - HG2 GLU 19 lone 7 73 - 9 - HD3 ARG 69 - HG3 GLU 50 lone 4 97 - 4 - HD2 ARG 69 - HG3 GLU 50 lone 4 97 - 4 - HB3 GLN 91 - HG3 GLU 19 lone 4 73 - 5 - HB3 GLN 91 - HG2 GLU 19 lone 4 73 - 5 - HB3 GLU 19 - HG3 GLU 50 lone 4 100 - 3 - HB2 GLU 25 - HG3 GLU 19 lone 3 65 - 5 - HB2 GLU 25 - HG2 GLU 19 lone 3 65 - 5 - HB3 GLU 25 - HG2 GLU 19 lone 3 63 - 5 - HB3 GLU 25 - HG3 GLU 19 lone 3 63 - 5 - HB2 GLU 25 - HG3 GLU 50 lone 3 95 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 3 93 - 3 - HG2 PRO 44 - HG3 GLU 50 lone 3 99 - 3 - HB VAL 76 - HG3 GLU 50 lone 3 100 - 3 - HB3 MET 31 - HG3 GLU 50 lone 2 57 - 4 - HB2 GLU 25 - HG2 GLU 87 lone 1 91 - 1 - HB2 GLU 25 - HG3 GLU 87 lone 1 91 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 90 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 89 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 98 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 95 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 95 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 94 - 1 - HD3 ARG 69 - HG3 GLU 87 lone 1 94 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 100 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 68 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 68 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 68 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 68 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 96 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 95 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 1 100 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 98 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 98 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 98 - 1 - HB VAL 45 - HG3 GLU 50 lone 1 71 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 98 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 1 97 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 1 96 - 1 - HB VAL 76 - HG2 GLU 19 lone 1 73 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 73 - 1 - HB3 MET 31 - HG2 GLU 87 lone 0 54 - 1 - HB VAL 90 - HG3 GLU 50 lone 0 78 - 1 - HB VAL 90 - HG2 GLU 87 lone 0 75 - 1 - HB3 MET 31 - HG3 GLU 87 lone 0 54 - 1 - HB VAL 90 - HG3 GLU 87 lone 0 74 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 0 69 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 0 69 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 71 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 71 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 73 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 73 - 1 - HB VAL 90 - HG2 GLU 19 lone 0 50 - 1 - HB VAL 90 - HG3 GLU 19 lone 0 50 - 1 - HB VAL 45 - HG2 GLU 87 lone 0 68 - 0 - HB VAL 45 - HG3 GLU 87 lone 0 67 - 0 - HB3 MET 31 - HG3 GLU 19 lone 0 35 - 0 - HB3 MET 31 - HG2 GLU 19 lone 0 35 - 0 - HB VAL 45 - HG3 GLU 19 lone 0 45 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 45 - 0 - Peak 2206 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 6 out of 80 assignments used, quality = 1.00: * HB3 GLU 50 + HG3 GLU 50 OK 72 100 - 72 - 3.0=66, 1.8/2190=7...(6) HB2 GLU 50 + HG3 GLU 50 OK 72 100 - 72 - 3.0=66, 1.8/2190=7...(6) HB2 GLU 87 + HG2 GLU 87 OK 67 96 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB2 GLU 87 + HG3 GLU 87 OK 67 95 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB3 GLU 19 + HG2 GLU 19 OK 52 73 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 + HG3 GLU 19 OK 52 73 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 - HG2 GLU 87 OK 26 99 - 27 - 3566=3, 3557/4.0=2...(9) HB3 GLU 19 - HG3 GLU 87 OK 26 98 - 27 - 3566=3, 3557/4.0=2...(9) HB2 GLU 50 - HG2 GLU 87 OK 21 99 - 21 - 2190=2, 3.0/2202=2...(9) HB3 GLU 50 - HG2 GLU 87 OK 21 99 - 21 - 2190=2, 3.0/2202=2...(9) HB3 GLU 50 - HG3 GLU 87 OK 21 98 - 21 - 2190=2, 3.0/2202=2...(11) HB2 GLU 50 - HG3 GLU 87 OK 21 98 - 21 - 2196=2, 3.0/2202=2...(11) HB2 GLU 87 - HG3 GLU 19 OK 19 69 - 28 - 3566=3, 3566/1.8=2...(10) HB2 GLU 87 - HG2 GLU 19 OK 19 69 - 28 - 3566=3, 3566/1.8=2...(10) HB3 GLN 91 - HG2 GLU 87 lone 8 99 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 8 98 - 8 - HB2 GLU 87 - HG3 GLU 50 lone 7 98 - 8 - 2199/1.8=1, ~2202=1 HB2 GLU 50 - HG3 GLU 19 lone 7 73 - 9 - HB3 GLU 50 - HG3 GLU 19 lone 7 73 - 9 - HB3 GLU 50 - HG2 GLU 19 lone 7 73 - 9 - HB2 GLU 50 - HG2 GLU 19 lone 7 73 - 9 - HD3 ARG 69 - HG3 GLU 50 lone 4 97 - 4 - HD2 ARG 69 - HG3 GLU 50 lone 4 97 - 4 - HB3 GLN 91 - HG3 GLU 19 lone 4 73 - 5 - HB3 GLN 91 - HG2 GLU 19 lone 4 73 - 5 - HB3 GLU 19 - HG3 GLU 50 lone 4 100 - 3 - HB2 GLU 25 - HG3 GLU 19 lone 3 65 - 5 - HB2 GLU 25 - HG2 GLU 19 lone 3 65 - 5 - HB3 GLU 25 - HG2 GLU 19 lone 3 63 - 5 - HB3 GLU 25 - HG3 GLU 19 lone 3 63 - 5 - HB2 GLU 25 - HG3 GLU 50 lone 3 95 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 3 93 - 3 - HG2 PRO 44 - HG3 GLU 50 lone 3 99 - 3 - HB VAL 76 - HG3 GLU 50 lone 3 100 - 3 - HB3 MET 31 - HG3 GLU 50 lone 2 57 - 4 - HB2 GLU 25 - HG2 GLU 87 lone 1 91 - 1 - HB2 GLU 25 - HG3 GLU 87 lone 1 91 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 90 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 89 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 98 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 95 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 95 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 94 - 1 - HD3 ARG 69 - HG3 GLU 87 lone 1 94 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 100 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 68 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 68 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 68 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 68 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 96 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 95 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 1 100 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 98 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 98 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 98 - 1 - HB VAL 45 - HG3 GLU 50 lone 1 71 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 98 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 1 97 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 1 96 - 1 - HB VAL 76 - HG2 GLU 19 lone 1 73 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 73 - 1 - HB3 MET 31 - HG2 GLU 87 lone 0 54 - 1 - HB VAL 90 - HG3 GLU 50 lone 0 78 - 1 - HB VAL 90 - HG2 GLU 87 lone 0 75 - 1 - HB3 MET 31 - HG3 GLU 87 lone 0 54 - 1 - HB VAL 90 - HG3 GLU 87 lone 0 74 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 0 69 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 0 69 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 71 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 71 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 73 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 73 - 1 - HB VAL 90 - HG2 GLU 19 lone 0 50 - 1 - HB VAL 90 - HG3 GLU 19 lone 0 50 - 1 - HB VAL 45 - HG2 GLU 87 lone 0 68 - 0 - HB VAL 45 - HG3 GLU 87 lone 0 67 - 0 - HB3 MET 31 - HG3 GLU 19 lone 0 35 - 0 - HB3 MET 31 - HG2 GLU 19 lone 0 35 - 0 - HB VAL 45 - HG3 GLU 19 lone 0 45 - 0 - HB VAL 45 - HG2 GLU 19 lone 0 45 - 0 - Peak 2207 from cnoeabs.peaks (2.37, 2.21, 36.01 ppm; 2.67 A): 1 out of 20 assignments used, quality = 1.00: * HG2 GLU 50 + HG3 GLU 50 OK 100 100 - 100 - 1.8=100 HG2 GLU 50 - HG2 GLU 87 OK 20 99 - 20 - 2202=6, 2202/1.8=4...(6) HG2 GLU 50 - HG3 GLU 87 OK 19 98 - 20 - 2202=6, 2202/1.8=4...(6) HG2 GLU 50 - HG2 GLU 19 lone 6 73 - 8 - 2202=2, 2202/1.8=1 HG2 GLU 50 - HG3 GLU 19 lone 6 73 - 8 - 2202=2, 2202/1.8=1 HG3 MET 11 - HG3 GLU 50 lone 4 83 - 5 - HB VAL 65 - HG3 GLU 50 lone 3 87 - 3 - HG2 GLU 59 - HG3 GLU 50 lone 2 63 - 4 - HG3 MET 11 - HG2 GLU 87 lone 1 79 - 1 - HG3 MET 11 - HG3 GLU 87 lone 1 78 - 1 - HB VAL 65 - HG2 GLU 87 lone 0 83 - 1 - HB VAL 65 - HG3 GLU 87 lone 0 83 - 1 - HG2 GLU 59 - HG2 GLU 87 lone 0 60 - 1 - HG2 GLU 59 - HG3 GLU 87 lone 0 59 - 1 - HG3 MET 11 - HG3 GLU 19 lone 0 54 - 0 - HG3 MET 11 - HG2 GLU 19 lone 0 54 - 0 - HB VAL 65 - HG3 GLU 19 lone 0 57 - 0 - HB VAL 65 - HG2 GLU 19 lone 0 57 - 0 - HG2 GLU 59 - HG2 GLU 19 lone 0 39 - 0 - HG2 GLU 59 - HG3 GLU 19 lone 0 39 - 0 - Peak 2208 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 50 + HG3 GLU 50 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 96 96 - 100 HG3 GLU 87 + HG3 GLU 87 OK 95 95 - 100 HG3 GLU 19 + HG3 GLU 19 OK 46 46 - 100 HG2 GLU 19 + HG2 GLU 19 OK 46 46 - 100 Peak 2209 from cnoeabs.peaks (7.53, 3.89, 57.93 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.0=100 H ARG 54 + HA LEU 51 OK 69 100 - 69 - 4567=15, 4.1/5220=9...(21) H LEU 43 - HA LEU 51 OK 21 97 - 21 - 2223/3.0=4, 2237/4.0=3...(8) HD21 ASN 80 - HA LEU 51 OK 16 93 - 17 - 6020/4.3=3, ~5847=3...(7) Peak 2210 from cnoeabs.peaks (3.89, 3.89, 57.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 51 + HA LEU 51 OK 100 100 - 100 Peak 2211 from cnoeabs.peaks (1.32, 3.89, 57.93 ppm; 3.38 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.0=100 HG2 ARG 54 + HA LEU 51 OK 66 92 - 72 - 3.0/5220=11, 3.0/4513=9...(28) HB2 LEU 52 + HA LEU 51 OK 57 93 - 61 - 666/3.6=8, 4.6/5674=7...(25) HG3 LYS 32 - HA LEU 51 OK 27 99 - 27 - 2225/3.0=3, 2246/4.0=2...(11) QB ALA 28 - HA LEU 51 OK 13 89 - 15 - 666/3.6=2, 659/3.0=1...(4) QG2 THR 58 - HA LEU 51 lone 10 98 - 10 - 5755/3.6=2, 5755/5762=1 QB ALA 12 - HA LEU 51 lone 3 97 - 3 - Peak 2212 from cnoeabs.peaks (1.60, 3.89, 57.93 ppm; 3.48 A): 2 out of 19 assignments used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 - 100 - 3.0=100 HG3 ARG 54 + HA LEU 51 OK 52 76 - 69 - 3.0/4513=10, 3.0/4513=10...(27) HB3 LEU 62 - HA LEU 51 OK 26 97 - 27 - 3.1/2213=3, 196/3.6=3...(13) HG LEU 86 - HA LEU 51 OK 24 100 - 24 - 2.1/2213=4, ~2227=2...(12) HD2 LYS 32 - HA LEU 51 OK 22 97 - 23 - 3.0/2211=3, 3.5/5219=2...(8) HD2 LYS 39 - HA LEU 51 OK 22 90 - 24 - 6085/4.0=4, 6086/4.0=4...(8) HD3 LYS 39 - HA LEU 51 OK 22 89 - 25 - 6085/4.0=4, 6086/4.0=4...(8) HD3 LYS 32 - HA LEU 51 OK 21 95 - 23 - 3.0/2211=3, 3.5/5219=2...(9) HB2 LEU 86 - HA LEU 51 OK 20 92 - 22 - 3.1/2213=3, ~2227=1...(10) HB3 LEU 29 - HA LEU 51 OK 15 85 - 18 - 3.1/2213=2, ~4839=1...(5) HD2 LYS 73 - HA LEU 51 lone 8 97 - 8 - HD3 LYS 73 - HA LEU 51 lone 8 97 - 8 - HG2 ARG 84 - HA LEU 51 lone 5 99 - 5 - HG3 ARG 84 - HA LEU 51 lone 5 99 - 5 - HG3 ARG 70 - HA LEU 51 lone 2 95 - 2 - HG2 ARG 17 - HA LEU 51 lone 2 85 - 2 - HG3 ARG 17 - HA LEU 51 lone 2 83 - 2 - HG2 ARG 71 - HA LEU 51 lone 1 83 - 2 - HG2 ARG 26 - HA LEU 51 lone 1 78 - 1 - Peak 2213 from cnoeabs.peaks (0.89, 3.89, 57.93 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.96: * HG LEU 51 + HA LEU 51 OK 94 100 - 94 - 4.3=72, 2.1/2215=41...(15) QD1 LEU 86 + HA LEU 51 OK 32 100 - 32 - 2227/3.0=5, 2248/4.0=4...(10) QD1 LEU 62 - HA LEU 51 OK 31 87 - 36 - 197/3.6=4, 2227/3.0=4...(12) QD1 LEU 29 - HA LEU 51 OK 23 96 - 24 - 2227/3.0=4, 2241/4.0=3...(8) QG2 VAL 90 - HA LEU 51 OK 15 99 - 15 - 2227/3.0=2, 661/3.0=2...(7) QG1 VAL 90 - HA LEU 51 OK 15 99 - 15 - 2227/3.0=2, 661/3.0=2...(7) QG2 VAL 76 - HA LEU 51 lone 5 60 - 8 - QG1 VAL 76 - HA LEU 51 lone 5 60 - 8 - HG12 ILE 68 - HA LEU 51 lone 3 60 - 6 - ~4758=1 Peak 2214 from cnoeabs.peaks (0.19, 3.89, 57.93 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + HA LEU 51 OK 100 100 - 100 - 4.0=100 Peak 2215 from cnoeabs.peaks (0.62, 3.89, 57.93 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.81: * QD1 LEU 51 + HA LEU 51 OK 81 100 - 81 - 4.0=55, 663/3.0=18...(19) Peak 2216 from cnoeabs.peaks (7.53, 1.32, 41.26 ppm; 3.41 A): 2 out of 8 assignments used, quality = 0.96: * H LEU 51 + HB2 LEU 51 OK 90 100 - 90 - 3.9=68, 662/3.1=19...(14) H ARG 54 + HB2 LEU 51 OK 65 100 - 65 - 2223/1.8=11, 4567/3.0=11...(20) H LEU 51 - HB2 LEU 52 OK 33 61 - 55 - 924/3.9=13, 659=10...(15) H ARG 54 - HB2 LEU 52 OK 31 61 - 50 - 4966/3.0=14, 207/4.6=13...(11) H LEU 43 - HB2 LEU 51 OK 21 97 - 22 - 2223/1.8=5, 2237/3.1=4...(8) HD21 ASN 80 - HB2 LEU 51 OK 19 93 - 20 - 6020/3.0=4, ~5847=4...(8) H LEU 43 - HB2 LEU 52 poor 8 55 - 14 - 193/3.9=3, 5141/3.0=2...(5) HD21 ASN 80 - HB2 LEU 52 lone 4 52 - 7 - 193/3.9=1 Peak 2217 from cnoeabs.peaks (3.89, 1.32, 41.26 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.0=100 HA ILE 33 + HB2 LEU 51 OK 45 100 - 46 - 2224/1.8=7, 2245/3.1=6...(14) HA LEU 51 - HB2 LEU 52 OK 40 61 - 65 - 2211=10, 3.6/666=9...(25) HB3 SER 22 - HB2 LEU 51 OK 39 100 - 39 - 2224/1.8=7, 2245/3.1=5...(12) HA ILE 33 - HB2 LEU 52 OK 21 60 - 35 - 3.0/4219=5, 5545/3.9=5...(10) HD2 PRO 36 - HB2 LEU 51 OK 18 81 - 22 - 2245/3.1=5, 2238/3.1=3...(6) HB3 SER 22 - HB2 LEU 52 poor 6 61 - 10 - 194/3.9=3, ~5695=1 HD2 PRO 36 - HB2 LEU 52 lone 3 42 - 6 - 194/3.9=1 Peak 2218 from cnoeabs.peaks (1.32, 1.32, 41.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 HB2 LEU 52 + HB2 LEU 52 OK 52 52 - 100 Peak 2219 from cnoeabs.peaks (1.60, 1.32, 41.26 ppm; 2.95 A): 2 out of 38 assignments used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 1.8=100 HG3 ARG 54 + HB2 LEU 51 OK 49 76 - 64 - 2335=6, ~5145=5...(35) HB3 LEU 51 - HB2 LEU 52 OK 34 61 - 57 - 2225=10, 3858/3.9=7...(26) HD2 LYS 39 - HB2 LEU 51 OK 32 90 - 35 - ~6087=5, 6085/3.1=3...(19) HD3 LYS 39 - HB2 LEU 51 OK 31 89 - 35 - ~6087=5, 6085/3.1=3...(20) HB3 LEU 62 - HB2 LEU 52 OK 25 55 - 45 - 3.1/5004=6, ~4680=5...(21) HB3 LEU 62 - HB2 LEU 51 OK 25 97 - 26 - 3.1/5004=3, 3.1/2220=1...(12) HG LEU 86 - HB2 LEU 51 OK 25 100 - 25 - ~2227=2, 2.1/2220=2...(12) HD3 LYS 32 - HB2 LEU 51 OK 23 95 - 25 - 3.0/1589=2, 2212/3.0=1...(4) HD2 LYS 32 - HB2 LEU 51 OK 23 97 - 24 - 3.0/1589=2, 2212/3.0=1 HB2 LEU 86 - HB2 LEU 51 OK 21 92 - 23 - 3.1/4839=2, 3.1/2220=2...(8) HB3 LEU 29 - HB2 LEU 51 OK 18 85 - 21 - 3.1/4839=2, 3.1/2220=1...(6) HD3 LYS 73 - HB2 LEU 51 poor 10 97 - 10 - HD2 LYS 73 - HB2 LEU 51 poor 10 97 - 10 - HD2 LYS 32 - HB2 LEU 52 poor 7 55 - 13 - 3.0/1589=1 HD3 LYS 32 - HB2 LEU 52 poor 7 53 - 13 - 3.0/1589=1 HB3 LEU 29 - HB2 LEU 52 poor 6 45 - 14 - 4.0/78=2, 4.6/5535=2...(4) HG3 ARG 54 - HB2 LEU 52 poor 6 39 - 16 - 5951/4.6=1, 196/3.9=1...(5) HG2 ARG 84 - HB2 LEU 51 lone 4 99 - 4 - HG3 ARG 84 - HB2 LEU 51 lone 4 99 - 4 - HD2 LYS 73 - HB2 LEU 52 lone 4 55 - 7 - HD3 LYS 73 - HB2 LEU 52 lone 4 55 - 7 - HG LEU 86 - HB2 LEU 52 lone 4 61 - 7 - HB2 LEU 86 - HB2 LEU 52 lone 3 51 - 5 - HG3 ARG 70 - HB2 LEU 51 lone 2 95 - 2 - HD2 LYS 39 - HB2 LEU 52 lone 2 49 - 4 - HD3 LYS 39 - HB2 LEU 52 lone 2 48 - 4 - HG2 ARG 17 - HB2 LEU 51 lone 1 85 - 2 - HG2 ARG 71 - HB2 LEU 51 lone 1 83 - 2 - HG3 ARG 17 - HB2 LEU 51 lone 1 83 - 2 - HG3 ARG 84 - HB2 LEU 52 lone 1 59 - 2 - HG2 ARG 84 - HB2 LEU 52 lone 1 59 - 2 - HG2 ARG 26 - HB2 LEU 51 lone 1 78 - 1 - HG3 ARG 70 - HB2 LEU 52 lone 1 53 - 2 - HG2 ARG 71 - HB2 LEU 52 lone 1 44 - 1 - HG2 ARG 26 - HB2 LEU 52 lone 0 41 - 1 - HG2 ARG 17 - HB2 LEU 52 lone 0 45 - 1 - HG3 ARG 17 - HB2 LEU 52 lone 0 44 - 1 - Peak 2220 from cnoeabs.peaks (0.89, 1.32, 41.26 ppm; 4.27 A): 4 out of 18 assignments used, quality = 1.00: * HG LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.0=100 QD1 LEU 86 + HB2 LEU 51 OK 49 100 - 49 - 2227/1.8=7, 2248/3.1=5...(22) HG LEU 51 + HB2 LEU 52 OK 48 61 - 79 - 4952/3.1=13, 4550/3.0=11...(23) QD1 LEU 62 + HB2 LEU 51 OK 47 87 - 55 - 2.1/5004=9, 2227/1.8=7...(21) QD1 LEU 29 - HB2 LEU 51 OK 42 96 - 44 - 2227/1.8=6, 2.1/4839=5...(15) QD1 LEU 62 - HB2 LEU 52 OK 38 47 - 82 - ~4680=20, ~5237=20...(19) QG2 VAL 90 - HB2 LEU 51 OK 22 99 - 21 - 2227/1.8=3, 2213/3.0=2...(11) QG1 VAL 90 - HB2 LEU 51 OK 21 99 - 21 - 2227/1.8=3, 2213/3.0=2...(11) QD1 LEU 29 - HB2 LEU 52 OK 14 54 - 25 - 2.1/4839=3, 197/3.9=3...(8) QD1 LEU 86 - HB2 LEU 52 OK 11 60 - 18 - 197/3.9=3, 4952/3.1=2...(6) QG2 VAL 90 - HB2 LEU 52 poor 7 59 - 11 - 197/3.9=2, 4550/3.0=2...(6) QG1 VAL 90 - HB2 LEU 52 poor 7 58 - 11 - 197/3.9=2, 4550/3.0=2...(6) HG12 ILE 68 - HB2 LEU 51 poor 7 60 - 11 - 2.1/4758=3, ~5178=1, 2241/3.1=1 QG1 VAL 76 - HB2 LEU 51 poor 6 60 - 10 - QG2 VAL 76 - HB2 LEU 51 poor 6 60 - 10 - HG12 ILE 68 - HB2 LEU 52 poor 6 30 - 19 - 2.1/4758=6, ~4757=3...(7) QG1 VAL 76 - HB2 LEU 52 lone 2 30 - 6 - QG2 VAL 76 - HB2 LEU 52 lone 2 30 - 6 - Peak 2221 from cnoeabs.peaks (0.19, 1.32, 41.26 ppm; 5.54 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.1=100 QD2 LEU 51 + HB2 LEU 52 OK 56 61 - 92 - 198/3.9=37, 2.1/2222=15...(25) Peak 2222 from cnoeabs.peaks (0.62, 1.32, 41.26 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 51 + HB2 LEU 51 OK 100 100 - 100 - 3.1=100 QD1 LEU 51 + HB2 LEU 52 OK 46 61 - 76 - 2246=10, 4.6/666=9...(26) Peak 2223 from cnoeabs.peaks (7.53, 1.60, 41.26 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 51 + HB3 LEU 51 OK 90 100 - 90 - 3.9=70, 662/3.1=20...(11) H ARG 54 + HB3 LEU 51 OK 59 100 - 60 - 4567/3.0=11, 2216/1.8=9...(17) H LEU 43 - HB3 LEU 51 OK 26 97 - 26 - 2237/3.1=4, 4.8/5214=3...(10) HD21 ASN 80 - HB3 LEU 51 OK 19 93 - 20 - 1.7/5847=5, 6020/3.0=4...(8) Peak 2224 from cnoeabs.peaks (3.89, 1.60, 41.26 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.0=100 HA ILE 33 - HB3 LEU 51 OK 41 100 - 41 - 2217/1.8=6, 2245/3.1=6...(13) HB3 SER 22 - HB3 LEU 51 OK 39 100 - 39 - 1.8/4523=6, 2245/3.1=5...(12) HD2 PRO 36 - HB3 LEU 51 OK 18 81 - 23 - 2245/3.1=5, 2238/3.1=4...(8) Peak 2225 from cnoeabs.peaks (1.32, 1.60, 41.26 ppm; 2.98 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 1.8=100 HG2 ARG 54 + HB3 LEU 51 OK 60 92 - 65 - ~5145=5, 2246/3.1=5...(38) HB2 LEU 52 + HB3 LEU 51 OK 51 93 - 54 - 3.9/3858=8, ~2267=5...(26) HG3 LYS 32 - HB3 LEU 51 OK 22 99 - 22 - 1600=2, 2246/3.1=2...(8) QB ALA 28 - HB3 LEU 51 lone 8 89 - 9 - 666/4.6=1 QG2 THR 58 - HB3 LEU 51 lone 6 98 - 6 - 5755/4.6=1 QB ALA 12 - HB3 LEU 51 lone 3 97 - 3 - Peak 2226 from cnoeabs.peaks (1.60, 1.60, 41.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 51 + HB3 LEU 51 OK 100 100 - 100 Peak 2227 from cnoeabs.peaks (0.89, 1.60, 41.26 ppm; 3.63 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.0=100 QD1 LEU 86 - HB3 LEU 51 OK 37 100 - 37 - 2248/3.1=4, 2241/3.1=4...(16) QD1 LEU 62 - HB3 LEU 51 OK 35 87 - 41 - ~5004=5, 2248/3.1=4...(17) QD1 LEU 29 - HB3 LEU 51 OK 30 96 - 31 - 2248/3.1=3, 2241/3.1=3...(13) QG2 VAL 90 - HB3 LEU 51 OK 15 99 - 15 - 2213/3.0=2, 2248/3.1=2...(5) QG1 VAL 90 - HB3 LEU 51 OK 15 99 - 15 - 2213/3.0=2, 2248/3.1=2...(5) HG12 ILE 68 - HB3 LEU 51 lone 4 60 - 7 - ~4758=1 QG1 VAL 76 - HB3 LEU 51 lone 4 60 - 7 - QG2 VAL 76 - HB3 LEU 51 lone 4 60 - 7 - Peak 2228 from cnoeabs.peaks (0.19, 1.60, 41.26 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.1=100 Peak 2229 from cnoeabs.peaks (0.62, 1.60, 41.26 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + HB3 LEU 51 OK 100 100 - 100 - 3.1=100 Peak 2230 from cnoeabs.peaks (7.53, 0.89, 26.17 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 51 + HG LEU 51 OK 98 100 - 98 - 5.2=78, 662/2.1=44...(13) H ARG 54 + HG LEU 51 OK 78 100 - 78 - 2244/2.1=16, 4567/4.3=16...(17) HD21 ASN 80 - HG LEU 51 OK 33 93 - 36 - 6020=9, ~5847=6...(9) H LEU 43 - HG LEU 51 OK 29 97 - 30 - 2237/2.1=9, 2223/3.0=6...(7) Peak 2231 from cnoeabs.peaks (3.89, 0.89, 26.17 ppm; 4.36 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 51 + HG LEU 51 OK 100 100 - 100 - 4.3=100 HA ILE 33 + HG LEU 51 OK 47 100 - 47 - 2245/2.1=10, 2238/2.1=8...(16) HB3 SER 22 + HG LEU 51 OK 46 100 - 46 - 2245/2.1=8, 2238/2.1=7...(10) HD2 PRO 36 - HG LEU 51 OK 23 81 - 29 - 2245/2.1=8, 2238/2.1=6...(8) Peak 2232 from cnoeabs.peaks (1.32, 0.89, 26.17 ppm; 4.11 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 51 + HG LEU 51 OK 100 100 - 100 - 3.0=100 HG2 ARG 54 + HG LEU 51 OK 76 92 - 83 - ~5145=15, ~5144=12...(30) HB2 LEU 52 + HG LEU 51 OK 70 93 - 75 - 3.1/4952=12, 2222/2.1=11...(23) HG3 LYS 32 - HG LEU 51 OK 36 99 - 37 - 2246/2.1=5, 2239/2.1=4...(16) QB ALA 28 - HG LEU 51 OK 14 89 - 16 - 3.6/549=2, 2239/2.1=2...(7) QG2 THR 58 - HG LEU 51 OK 12 98 - 12 - 2246/2.1=2, 2239/2.1=1...(4) QB ALA 12 - HG LEU 51 lone 5 97 - 5 - Peak 2233 from cnoeabs.peaks (1.60, 0.89, 26.17 ppm; 3.60 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 51 + HG LEU 51 OK 100 100 - 100 - 3.0=100 HG3 ARG 54 + HG LEU 51 OK 54 76 - 72 - ~5145=11, ~5144=9...(28) HD2 LYS 39 + HG LEU 51 OK 48 90 - 53 - ~6087=10, 6085/2.1=6...(22) HD3 LYS 39 + HG LEU 51 OK 47 89 - 53 - ~6087=10, 6085/2.1=6...(22) HG LEU 86 - HG LEU 51 OK 35 100 - 36 - ~4520=3, ~2248=3...(16) HB3 LEU 62 - HG LEU 51 OK 35 97 - 37 - 1.8/2577=4, 3.1/2598=3...(19) HB2 LEU 86 - HG LEU 51 OK 30 92 - 33 - 3525=3, ~4520=2, ~6093=2...(18) HD3 LYS 32 - HG LEU 51 OK 27 95 - 29 - 3.0/2232=3, 2247/2.1=2...(11) HB3 LEU 29 - HG LEU 51 OK 26 85 - 30 - 1.8/1488=3, 3.0/6115=2...(16) HD2 LYS 32 - HG LEU 51 OK 26 97 - 27 - 3.0/2232=3, 2247/2.1=2...(9) HD3 LYS 73 - HG LEU 51 OK 16 97 - 17 - 2.9/5255=2, 2.9/5257=2...(7) HD2 LYS 73 - HG LEU 51 OK 16 97 - 17 - 2.9/5255=2, 2.9/5257=2...(7) HG3 ARG 84 - HG LEU 51 lone 5 99 - 5 - HG2 ARG 84 - HG LEU 51 lone 5 99 - 5 - HG3 ARG 70 - HG LEU 51 lone 3 95 - 4 - HG2 ARG 17 - HG LEU 51 lone 3 85 - 3 - HG3 ARG 17 - HG LEU 51 lone 2 83 - 3 - HG2 ARG 71 - HG LEU 51 lone 2 83 - 2 - HG2 ARG 26 - HG LEU 51 lone 2 78 - 2 - Peak 2234 from cnoeabs.peaks (0.89, 0.89, 26.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 51 + HG LEU 51 OK 100 100 - 100 Peak 2235 from cnoeabs.peaks (0.19, 0.89, 26.17 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + HG LEU 51 OK 100 100 - 100 - 2.1=100 Peak 2236 from cnoeabs.peaks (0.62, 0.89, 26.17 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + HG LEU 51 OK 100 100 - 100 - 2.1=100 Peak 2237 from cnoeabs.peaks (7.53, 0.19, 24.73 ppm; 4.58 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 4.5=100 H ARG 54 + QD2 LEU 51 OK 85 100 - 85 - 4567/4.0=15, 2244/2.1=15...(23) H LEU 43 + QD2 LEU 51 OK 65 97 - 67 - 4.8/4917=26, 4.8/4916=21...(13) HD21 ASN 80 - QD2 LEU 51 OK 32 93 - 34 - 6020/2.1=9, ~5847=5...(9) Peak 2238 from cnoeabs.peaks (3.89, 0.19, 24.73 ppm; 4.34 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 4.0=100 HA ILE 33 + QD2 LEU 51 OK 57 100 - 57 - 2245/2.1=10, 2231/2.1=8...(20) HB3 SER 22 + QD2 LEU 51 OK 50 100 - 50 - 2245/2.1=8, 2231/2.1=8...(12) HD2 PRO 36 - QD2 LEU 51 OK 42 81 - 53 - 4.8/4865=19, 4.8/5575=11...(13) Peak 2239 from cnoeabs.peaks (1.32, 0.19, 24.73 ppm; 3.98 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 3.1=100 HG2 ARG 54 + QD2 LEU 51 OK 78 92 - 85 - ~5145=14, ~5144=11...(32) HB2 LEU 52 + QD2 LEU 51 OK 69 93 - 74 - 3.9/198=20, 2222/2.1=10...(25) HG3 LYS 32 - QD2 LEU 51 OK 37 99 - 37 - 2246/2.1=5, 2232/2.1=4...(17) QB ALA 28 - QD2 LEU 51 OK 13 89 - 15 - 666/4.6=2, 2232/2.1=1...(7) QG2 THR 58 - QD2 LEU 51 OK 12 98 - 12 - 5755/4.6=2, 2246/2.1=2...(4) QB ALA 12 - QD2 LEU 51 lone 5 97 - 5 - Peak 2240 from cnoeabs.peaks (1.60, 0.19, 24.73 ppm; 3.58 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 3.1=100 HD2 LYS 39 + QD2 LEU 51 OK 59 90 - 66 - 3.0/6087=13, 3.5/5204=12...(22) HD3 LYS 39 + QD2 LEU 51 OK 58 89 - 66 - 3.0/6087=13, 3.5/5204=12...(22) HG3 ARG 54 + QD2 LEU 51 OK 56 76 - 74 - ~5145=11, ~5144=9...(28) HG LEU 86 - QD2 LEU 51 OK 36 100 - 36 - 2.1/4520=6, 2.1/2241=5...(13) HB3 LEU 62 - QD2 LEU 51 OK 33 97 - 35 - 3.1/2241=3, ~2577=2...(18) HB2 LEU 86 - QD2 LEU 51 OK 30 92 - 33 - 3.1/4520=5, 3.1/2241=4...(13) HD3 LYS 32 - QD2 LEU 51 OK 29 95 - 31 - 3.0/2239=3, 2247/2.1=2...(13) HD2 LYS 32 - QD2 LEU 51 OK 28 97 - 30 - 3.0/2239=3, 2247/2.1=2...(12) HB3 LEU 29 - QD2 LEU 51 OK 25 85 - 29 - 3.1/4520=4, 3.1/2241=3...(11) HD3 LYS 73 - QD2 LEU 51 OK 17 97 - 18 - 3.5/5205=2, ~5255=1...(7) HD2 LYS 73 - QD2 LEU 51 OK 17 97 - 18 - 3.5/5205=2, ~5255=1...(7) HG3 ARG 84 - QD2 LEU 51 lone 6 99 - 6 - HG2 ARG 84 - QD2 LEU 51 lone 6 99 - 6 - HG3 ARG 70 - QD2 LEU 51 lone 3 95 - 3 - HG2 ARG 17 - QD2 LEU 51 lone 2 85 - 3 - HG3 ARG 17 - QD2 LEU 51 lone 2 83 - 3 - HG2 ARG 71 - QD2 LEU 51 lone 2 83 - 3 - HG2 ARG 26 - QD2 LEU 51 lone 2 78 - 2 - Peak 2241 from cnoeabs.peaks (0.89, 0.19, 24.73 ppm; 4.11 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 86 + QD2 LEU 51 OK 47 100 - 47 - 2.1/4520=7, 2248/2.1=6...(18) QD1 LEU 62 - QD2 LEU 51 OK 42 87 - 49 - 2248/2.1=6, 2227/3.1=5...(20) QD1 LEU 29 - QD2 LEU 51 OK 38 96 - 39 - 2.1/4520=6, 2248/2.1=5...(14) QG2 VAL 90 - QD2 LEU 51 OK 18 99 - 18 - 2248/2.1=2, 2227/3.1=2...(8) QG1 VAL 90 - QD2 LEU 51 OK 18 99 - 18 - 2248/2.1=2, 2227/3.1=2...(8) HG12 ILE 68 - QD2 LEU 51 poor 9 60 - 16 - 3.2/4520=2, 2.9/5178=2...(4) QG1 VAL 76 - QD2 LEU 51 lone 6 60 - 10 - QG2 VAL 76 - QD2 LEU 51 lone 6 60 - 10 - Peak 2242 from cnoeabs.peaks (0.19, 0.19, 24.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD2 LEU 51 OK 100 100 - 100 Peak 2243 from cnoeabs.peaks (0.62, 0.19, 24.73 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + QD2 LEU 51 OK 100 100 - 100 - 2.1=100 Peak 2244 from cnoeabs.peaks (7.53, 0.62, 23.89 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 51 + QD1 LEU 51 OK 96 100 - 96 - 4.5=71, 3.0/2215=37...(16) H ARG 54 + QD1 LEU 51 OK 82 100 - 82 - 4.1/5144=14, 4.1/5145=14...(23) H LEU 43 - QD1 LEU 51 OK 27 97 - 28 - 2237/2.1=7, 2223/3.1=4...(8) HD21 ASN 80 - QD1 LEU 51 OK 25 93 - 27 - 6020/2.1=7, ~5847=4...(8) Peak 2245 from cnoeabs.peaks (3.89, 0.62, 23.89 ppm; 3.05 A): 4 out of 4 assignments used, quality = 0.91: * HA LEU 51 + QD1 LEU 51 OK 74 100 - 74 - 4.0=46, 3.0/663=15...(17) HA ILE 33 + QD1 LEU 51 OK 32 100 - 32 - 2224/3.1=4, 2238/2.1=4...(14) HD2 PRO 36 + QD1 LEU 51 OK 28 81 - 35 - 3.8/5682=10, 4.8/5353=8...(8) HB3 SER 22 + QD1 LEU 51 OK 28 100 - 28 - 2224/3.1=4, 2231/2.1=4...(11) Peak 2246 from cnoeabs.peaks (1.32, 0.62, 23.89 ppm; 3.34 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 3.1=100 HG2 ARG 54 + QD1 LEU 51 OK 68 92 - 74 - 3.0/5145=10, 3.0/5144=10...(30) HB2 LEU 52 + QD1 LEU 51 OK 53 93 - 56 - 2222=8, 2225/3.1=6...(23) HG3 LYS 32 - QD1 LEU 51 OK 29 99 - 29 - 2239/2.1=3, 2232/2.1=3...(12) QG2 THR 58 - QD1 LEU 51 lone 10 98 - 10 - 5755/4.6=1 QB ALA 28 - QD1 LEU 51 lone 9 89 - 10 - 666/4.6=1, 2239/2.1=1 QB ALA 12 - QD1 LEU 51 lone 3 97 - 3 - Peak 2247 from cnoeabs.peaks (1.60, 0.62, 23.89 ppm; 3.54 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 3.1=100 HG3 ARG 54 + QD1 LEU 51 OK 58 76 - 76 - 3.0/5144=12, 3.0/5145=12...(27) HD2 LYS 39 + QD1 LEU 51 OK 55 90 - 61 - ~6087=10, 3.5/5203=7...(22) HD3 LYS 39 + QD1 LEU 51 OK 55 89 - 62 - ~6087=10, 3.5/5203=7...(22) HG LEU 86 - QD1 LEU 51 OK 34 100 - 35 - 2.1/2248=5, ~4520=3...(12) HB3 LEU 62 - QD1 LEU 51 OK 33 97 - 35 - 3.1/2248=4, 3.0/6093=3...(16) HD3 LYS 32 - QD1 LEU 51 OK 29 95 - 31 - 3.0/2246=3, 2240/2.1=2...(15) HD2 LYS 32 - QD1 LEU 51 OK 29 97 - 30 - 3.0/2246=3, 2240/2.1=2...(14) HB2 LEU 86 - QD1 LEU 51 OK 29 92 - 32 - 3.1/2248=4, 1.8/6093=4...(11) HB3 LEU 29 - QD1 LEU 51 OK 22 85 - 26 - 3.1/2248=3, ~4520=2...(10) HD3 LYS 73 - QD1 LEU 51 OK 17 97 - 17 - 2.9/6094=1, ~5255=1...(4) HD2 LYS 73 - QD1 LEU 51 OK 17 97 - 17 - 2.9/6094=1, ~5255=1...(4) HG3 ARG 84 - QD1 LEU 51 lone 5 99 - 5 - HG2 ARG 84 - QD1 LEU 51 lone 5 99 - 5 - HG3 ARG 70 - QD1 LEU 51 lone 3 95 - 3 - HG2 ARG 17 - QD1 LEU 51 lone 2 85 - 3 - HG3 ARG 17 - QD1 LEU 51 lone 2 83 - 3 - HG2 ARG 71 - QD1 LEU 51 lone 2 83 - 2 - HG2 ARG 26 - QD1 LEU 51 lone 1 78 - 2 - Peak 2248 from cnoeabs.peaks (0.89, 0.62, 23.89 ppm; 3.05 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 2.1=100 QD1 LEU 86 - QD1 LEU 51 OK 27 100 - 27 - 2241/2.1=3, 2227/3.1=3...(11) QD1 LEU 62 - QD1 LEU 51 OK 25 87 - 29 - 2241/2.1=3, 2227/3.1=3...(12) QD1 LEU 29 - QD1 LEU 51 OK 20 96 - 21 - 2241/2.1=3, 2227/3.1=2...(9) QG2 VAL 90 - QD1 LEU 51 lone 10 99 - 9 - 2241/2.1=1, 2227/3.1=1 QG1 VAL 90 - QD1 LEU 51 lone 10 99 - 9 - 2241/2.1=1, 2227/3.1=1 HG12 ILE 68 - QD1 LEU 51 lone 4 60 - 6 - QG2 VAL 76 - QD1 LEU 51 lone 3 60 - 5 - QG1 VAL 76 - QD1 LEU 51 lone 3 60 - 5 - Peak 2249 from cnoeabs.peaks (0.19, 0.62, 23.89 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + QD1 LEU 51 OK 100 100 - 100 - 2.1=100 Peak 2250 from cnoeabs.peaks (0.62, 0.62, 23.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + QD1 LEU 51 OK 100 100 - 100 Peak 2251 from cnoeabs.peaks (7.43, 3.81, 57.23 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + HA LEU 52 OK 100 100 - 100 - 3.0=100 H LEU 64 - HA LEU 52 OK 41 97 - 43 - 2265/3.0=9, 2272/3.7=8...(8) HE21 GLN 61 - HA LEU 52 poor 10 60 - 16 - 6.6/5143=2, 2265/3.0=2...(10) Peak 2252 from cnoeabs.peaks (3.81, 3.81, 57.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + HA LEU 52 OK 100 100 - 100 Peak 2253 from cnoeabs.peaks (1.33, 3.81, 57.23 ppm; 3.47 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 52 + HA LEU 52 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HA LEU 52 OK 67 93 - 72 - 2259=10, 666/3.0=9...(28) QB ALA 28 - HA LEU 52 OK 26 100 - 26 - 5532/3.7=7, 2267/3.0=4...(9) HG2 ARG 54 - HA LEU 52 OK 21 60 - 35 - 4.8/4581=11, 4.9/4966=8...(10) HG3 LYS 32 - HA LEU 52 OK 15 99 - 15 - 666/3.0=2, 2267/3.0=2...(6) QB ALA 12 - HA LEU 52 lone 8 100 - 8 - 3.6/5922=2 QG2 THR 58 - HA LEU 52 lone 6 76 - 8 - 5755/3.0=2 QB ALA 16 - HA LEU 52 lone 2 73 - 3 - Peak 2254 from cnoeabs.peaks (1.47, 3.81, 57.23 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 52 + HA LEU 52 OK 100 100 - 100 - 3.0=100 HB3 LEU 57 + HA LEU 52 OK 62 100 - 63 - 3.1/4551=19, 2261/3.0=7...(18) QB ALA 63 - HA LEU 52 OK 34 95 - 36 - 3913/3.0=7, 3.6/2251=7...(13) HG12 ILE 33 - HA LEU 52 OK 23 60 - 38 - 1.8/2255=5, ~4210=4...(18) HG2 LYS 73 - HA LEU 52 OK 13 100 - 13 - 203/3.6=3, 667/3.0=2...(6) QB ALA 30 - HA LEU 52 OK 10 63 - 17 - ~5535=2, ~4544=2...(10) HG3 LYS 13 - HA LEU 52 lone 8 89 - 9 - 4.9/5922=2, 3.9/4817=2 HG3 LYS 85 - HA LEU 52 lone 3 83 - 3 - Peak 2255 from cnoeabs.peaks (1.20, 3.81, 57.23 ppm; 3.89 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 52 + HA LEU 52 OK 100 100 - 100 - 3.7=100 QG2 VAL 65 + HA LEU 52 OK 53 89 - 60 - 4726/3.9=22, 5315/3.9=16...(11) HG13 ILE 33 - HA LEU 52 OK 32 73 - 43 - 668/3.0=5, 2269/3.0=5...(19) QG2 THR 37 - HA LEU 52 OK 14 73 - 19 - 6128/3.0=6, 2269/3.0=2...(7) QG2 THR 15 - HA LEU 52 OK 12 100 - 11 - 2269/3.0=2, 668/3.0=2...(6) Peak 2256 from cnoeabs.peaks (0.44, 3.81, 57.23 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + HA LEU 52 OK 100 100 - 100 - 3.9=100 Peak 2257 from cnoeabs.peaks (0.51, 3.81, 57.23 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.84: * QD2 LEU 52 + HA LEU 52 OK 84 100 - 84 - 3.9=54, 670/3.0=20...(18) Peak 2258 from cnoeabs.peaks (7.43, 1.33, 40.92 ppm; 3.83 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 52 + HB2 LEU 52 OK 99 100 - 99 - 3.9=93, 670/3.1=28...(14) H LEU 52 + HB2 LEU 51 OK 53 61 - 88 - 4.6=56, 198/3.1=22...(14) H LEU 64 + HB2 LEU 52 OK 51 97 - 52 - 2265/1.8=12, 2272/3.0=10...(10) H LEU 64 - HB2 LEU 51 OK 22 56 - 39 - 3858/1.8=8, 924/3.9=6...(11) HE21 GLN 61 - HB2 LEU 51 OK 14 30 - 48 - 3858/1.8=7, 5684/3.0=5...(17) HE21 GLN 61 - HB2 LEU 52 OK 11 60 - 18 - 2265/1.8=2, 2251/3.0=2...(8) Peak 2259 from cnoeabs.peaks (3.81, 1.33, 40.92 ppm; 3.74 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 52 + HB2 LEU 52 OK 100 100 - 100 - 3.0=100 HA LEU 52 + HB2 LEU 51 OK 47 61 - 78 - 2253=14, ~3858=10...(29) HD2 PRO 14 - HB2 LEU 52 OK 32 83 - 38 - 2266/1.8=9, 2287/3.1=6...(12) HD2 PRO 14 - HB2 LEU 51 poor 5 44 - 12 - 665/4.6=3, ~5680=2, ~5641=1 Peak 2260 from cnoeabs.peaks (1.33, 1.33, 40.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 52 + HB2 LEU 52 OK 100 100 - 100 HB2 LEU 51 + HB2 LEU 51 OK 52 52 - 100 Peak 2261 from cnoeabs.peaks (1.47, 1.33, 40.92 ppm; 2.94 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 52 + HB2 LEU 52 OK 100 100 - 100 - 1.8=100 HB3 LEU 57 + HB2 LEU 52 OK 60 100 - 60 - 3.1/4986=5, ~4613=5...(25) HB3 LEU 52 - HB2 LEU 51 OK 35 61 - 57 - 2267=12, 2265/4.6=6...(26) HG12 ILE 33 - HB2 LEU 52 OK 20 60 - 34 - 2.1/5196=5, 3.0/4219=4...(17) QB ALA 63 - HB2 LEU 52 OK 18 95 - 19 - 3913/3.9=3, 3.6/2258=3...(9) QB ALA 30 - HB2 LEU 52 OK 10 63 - 16 - 2.9/5535=2, 2.1/4543=2...(5) HB3 LEU 57 - HB2 LEU 51 OK 10 60 - 17 - 667/4.6=2, 3.1/4986=2...(7) HG2 LYS 73 - HB2 LEU 52 lone 9 100 - 9 - 203/4.6=1 HG12 ILE 33 - HB2 LEU 51 poor 7 30 - 23 - 2.1/5196=4, 3.0/4219=3...(11) HG2 LYS 73 - HB2 LEU 51 poor 6 60 - 10 - 5255/3.0=1 HG3 LYS 13 - HB2 LEU 52 lone 5 89 - 5 - QB ALA 63 - HB2 LEU 51 lone 4 53 - 7 - 3913/4.6=2, 3.6/2258=1 QB ALA 30 - HB2 LEU 51 lone 2 31 - 8 - 2.9/5535=1, 3.6/5086=1 HG3 LYS 85 - HB2 LEU 52 lone 2 83 - 2 - HG3 LYS 13 - HB2 LEU 51 lone 2 48 - 3 - HG3 LYS 85 - HB2 LEU 51 lone 1 44 - 2 - Peak 2262 from cnoeabs.peaks (1.20, 1.33, 40.92 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 52 + HB2 LEU 52 OK 100 100 - 100 - 3.0=100 QG2 VAL 65 + HB2 LEU 52 OK 65 89 - 73 - 4726/3.1=24, 5315/3.1=17...(15) HG LEU 52 - HB2 LEU 51 OK 43 61 - 72 - 2274=13, 2272/4.6=11...(27) HG13 ILE 33 - HB2 LEU 52 OK 38 73 - 52 - 2.1/5196=8, 3.0/4219=6...(22) QG2 THR 37 - HB2 LEU 52 OK 19 73 - 26 - 6128=8, 2269/1.8=3...(12) QG2 VAL 65 - HB2 LEU 51 OK 15 48 - 32 - ~6104=10, 668/4.6=5...(9) QG2 THR 15 - HB2 LEU 52 OK 15 100 - 14 - 2269/1.8=2, 2283/3.1=2...(7) HG13 ILE 33 - HB2 LEU 51 OK 14 37 - 37 - 2.1/5196=6, 3.0/4219=5...(14) QG2 THR 37 - HB2 LEU 51 lone 3 37 - 8 - 6128=3, 4285/5195=1 QG2 THR 15 - HB2 LEU 51 lone 2 60 - 3 - Peak 2263 from cnoeabs.peaks (0.44, 1.33, 40.92 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 52 + HB2 LEU 52 OK 100 100 - 100 - 3.1=100 QD1 LEU 52 - HB2 LEU 51 OK 45 61 - 74 - 669/4.6=18, 2281=13...(27) Peak 2264 from cnoeabs.peaks (0.51, 1.33, 40.92 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 52 + HB2 LEU 52 OK 100 100 - 100 - 3.1=100 QD2 LEU 52 + HB2 LEU 51 OK 47 61 - 78 - 670/4.6=19, 2288=13...(27) Peak 2265 from cnoeabs.peaks (7.43, 1.47, 40.92 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 52 + HB3 LEU 52 OK 98 100 - 98 - 3.9=89, 670/3.1=27...(13) H LEU 64 + HB3 LEU 52 OK 53 97 - 54 - 263=13, 2272/3.0=10...(12) HE21 GLN 61 - HB3 LEU 52 poor 10 60 - 16 - 2251/3.0=2, 2272/3.0=2...(9) Peak 2266 from cnoeabs.peaks (3.81, 1.47, 40.92 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + HB3 LEU 52 OK 100 100 - 100 - 3.0=100 HD2 PRO 14 - HB3 LEU 52 OK 33 83 - 40 - 2259/1.8=7, 2287/3.1=7...(14) Peak 2267 from cnoeabs.peaks (1.33, 1.47, 40.92 ppm; 2.95 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 52 + HB3 LEU 52 OK 100 100 - 100 - 1.8=100 HB2 LEU 51 + HB3 LEU 52 OK 51 93 - 55 - 4.6/2265=6, 2261=6...(26) QB ALA 28 - HB3 LEU 52 OK 26 100 - 26 - 5532/3.0=6, 2288/3.1=3...(10) HG3 LYS 32 - HB3 LEU 52 OK 13 99 - 14 - 2288/3.1=1, 2281/3.1=1...(5) HG2 ARG 54 - HB3 LEU 52 OK 10 60 - 17 - 4.9/5691=2, 5949/4.6=2...(5) QB ALA 12 - HB3 LEU 52 lone 6 100 - 5 - QG2 THR 58 - HB3 LEU 52 lone 5 76 - 7 - 4.0/228=2 QB ALA 16 - HB3 LEU 52 lone 2 73 - 3 - Peak 2268 from cnoeabs.peaks (1.47, 1.47, 40.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 52 + HB3 LEU 52 OK 100 100 - 100 Peak 2269 from cnoeabs.peaks (1.20, 1.47, 40.92 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 52 + HB3 LEU 52 OK 100 100 - 100 - 3.0=100 QG2 VAL 65 + HB3 LEU 52 OK 63 89 - 72 - 4726/3.1=24, 5315/3.1=16...(14) HG13 ILE 33 - HB3 LEU 52 OK 34 73 - 47 - ~5196=5, 2262/1.8=4...(23) QG2 THR 37 - HB3 LEU 52 OK 16 73 - 22 - 6128/1.8=7, 2290/3.1=2...(10) QG2 THR 15 - HB3 LEU 52 OK 14 100 - 13 - 2262/1.8=2, 2283/3.1=2...(8) Peak 2270 from cnoeabs.peaks (0.44, 1.47, 40.92 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + HB3 LEU 52 OK 100 100 - 100 - 3.1=100 Peak 2271 from cnoeabs.peaks (0.51, 1.47, 40.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + HB3 LEU 52 OK 100 100 - 100 - 3.1=100 Peak 2272 from cnoeabs.peaks (7.43, 1.20, 26.33 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.96: * H LEU 52 + HG LEU 52 OK 91 100 - 91 - 5.0=42, 670/2.1=34...(13) H LEU 64 + HG LEU 52 OK 50 97 - 51 - 2286/2.1=11, 2279/2.1=11...(14) HE21 GLN 61 - HG LEU 52 poor 9 60 - 15 - 2286/2.1=2, 2265/3.0=2...(7) Peak 2273 from cnoeabs.peaks (3.81, 1.20, 26.33 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + HG LEU 52 OK 100 100 - 100 - 3.7=100 HD2 PRO 14 - HG LEU 52 OK 34 83 - 40 - 2280/2.1=10, 2287/2.1=9...(8) Peak 2274 from cnoeabs.peaks (1.33, 1.20, 26.33 ppm; 3.56 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 52 + HG LEU 52 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HG LEU 52 OK 63 93 - 67 - 4.6/2272=10, 2263/2.1=10...(27) QB ALA 28 - HG LEU 52 OK 41 100 - 42 - 5532=15, 2288/2.1=5...(13) HG3 LYS 32 - HG LEU 52 OK 16 99 - 16 - 2288/2.1=3, 2281/2.1=2...(5) HG2 ARG 54 - HG LEU 52 OK 13 60 - 22 - 4.9/5690=4, 2288/2.1=2...(9) QB ALA 12 - HG LEU 52 lone 6 100 - 6 - QG2 THR 58 - HG LEU 52 lone 5 76 - 6 - 5755/5.0=1 QB ALA 16 - HG LEU 52 lone 4 73 - 5 - 2.9/20=1, 5.0/1131=1 Peak 2275 from cnoeabs.peaks (1.47, 1.20, 26.33 ppm; 3.75 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 52 + HG LEU 52 OK 100 100 - 100 - 3.0=100 HB3 LEU 57 + HG LEU 52 OK 78 100 - 78 - ~4613=15, ~5751=12...(23) QB ALA 63 - HG LEU 52 OK 27 95 - 29 - 3.6/2272=8, 4688/3.7=4...(8) HG12 ILE 33 - HG LEU 52 OK 26 60 - 44 - 3.2/5197=8, ~5196=4...(21) QB ALA 30 - HG LEU 52 OK 13 63 - 21 - 2.1/4545=3, ~5535=2...(10) HG2 LYS 73 - HG LEU 52 OK 12 100 - 12 - 2289/2.1=2, 2282/2.1=2...(4) HG3 LYS 13 - HG LEU 52 lone 5 89 - 6 - HG3 LYS 85 - HG LEU 52 lone 2 83 - 3 - Peak 2276 from cnoeabs.peaks (1.20, 1.20, 26.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 52 + HG LEU 52 OK 100 100 - 100 Peak 2277 from cnoeabs.peaks (0.44, 1.20, 26.33 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + HG LEU 52 OK 100 100 - 100 - 2.1=100 Peak 2278 from cnoeabs.peaks (0.51, 1.20, 26.33 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + HG LEU 52 OK 100 100 - 100 - 2.1=100 Peak 2279 from cnoeabs.peaks (7.43, 0.44, 24.59 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 52 + QD1 LEU 52 OK 96 100 - 96 - 4.8=64, 670/2.1=39...(14) H LEU 64 + QD1 LEU 52 OK 55 97 - 56 - 2272/2.1=13, 2286/2.1=13...(14) HE21 GLN 61 - QD1 LEU 52 poor 8 60 - 13 - 2272/2.1=2, 2286/2.1=2...(6) Peak 2280 from cnoeabs.peaks (3.81, 0.44, 24.59 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + QD1 LEU 52 OK 100 100 - 100 - 3.9=100 HD2 PRO 14 - QD1 LEU 52 OK 35 83 - 42 - 2287/2.1=9, 2273/2.1=8...(11) Peak 2281 from cnoeabs.peaks (1.33, 0.44, 24.59 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 52 + QD1 LEU 52 OK 100 100 - 100 - 3.1=100 HB2 LEU 51 + QD1 LEU 52 OK 64 93 - 68 - 4.6/669=15, 2263=12...(26) QB ALA 28 - QD1 LEU 52 OK 32 100 - 32 - 5532/2.1=11, 2288/2.1=5...(10) HG3 LYS 32 - QD1 LEU 52 OK 17 99 - 17 - 2288/2.1=3, 2274/2.1=2...(6) HG2 ARG 54 - QD1 LEU 52 OK 13 60 - 21 - 3.7/5694=3, 195/4.8=2...(9) QB ALA 12 - QD1 LEU 52 lone 6 100 - 6 - QG2 THR 58 - QD1 LEU 52 lone 4 76 - 6 - 5755/4.8=1 QB ALA 16 - QD1 LEU 52 lone 3 73 - 4 - Peak 2282 from cnoeabs.peaks (1.47, 0.44, 24.59 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 52 + QD1 LEU 52 OK 100 100 - 100 - 3.1=100 HB3 LEU 57 + QD1 LEU 52 OK 74 100 - 75 - 3.1/5154=15, ~4613=13...(26) QB ALA 63 - QD1 LEU 52 OK 26 95 - 28 - 3.6/2279=7, 3913/4.8=4...(9) HG12 ILE 33 - QD1 LEU 52 OK 23 60 - 39 - 1.8/2283=5, ~5197=4...(20) QB ALA 30 - QD1 LEU 52 OK 12 63 - 20 - 2.1/4546=3, ~4548=2...(10) HG2 LYS 73 - QD1 LEU 52 OK 12 100 - 12 - 2289/2.1=2, 2275/2.1=1...(5) HG3 LYS 13 - QD1 LEU 52 lone 5 89 - 5 - HG3 LYS 85 - QD1 LEU 52 lone 2 83 - 3 - Peak 2283 from cnoeabs.peaks (1.20, 0.44, 24.59 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 52 + QD1 LEU 52 OK 100 100 - 100 - 2.1=100 QG2 VAL 65 + QD1 LEU 52 OK 67 89 - 76 - 4726/2.1=25, 2.1/5314=20...(20) HG13 ILE 33 - QD1 LEU 52 OK 28 73 - 38 - 2290/2.1=4, ~5197=4...(19) QG2 THR 37 - QD1 LEU 52 OK 15 73 - 21 - 6128/3.1=4, 2290/2.1=3...(9) QG2 THR 15 - QD1 LEU 52 OK 11 100 - 11 - 2290/2.1=2, 2269/3.1=1...(4) Peak 2284 from cnoeabs.peaks (0.44, 0.44, 24.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + QD1 LEU 52 OK 100 100 - 100 Peak 2285 from cnoeabs.peaks (0.51, 0.44, 24.59 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + QD1 LEU 52 OK 100 100 - 100 - 2.1=100 Peak 2286 from cnoeabs.peaks (7.43, 0.51, 22.90 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 52 + QD2 LEU 52 OK 95 100 - 95 - 4.8=58, 669/2.1=37...(16) H LEU 64 + QD2 LEU 52 OK 53 97 - 55 - 2272/2.1=12, 2279/2.1=12...(13) HE21 GLN 61 - QD2 LEU 52 poor 10 60 - 16 - 4669/5751=2, 2272/2.1=2...(7) Peak 2287 from cnoeabs.peaks (3.81, 0.51, 22.90 ppm; 3.11 A): 2 out of 2 assignments used, quality = 0.86: * HA LEU 52 + QD2 LEU 52 OK 82 100 - 82 - 3.9=50, 3.0/670=19...(18) HD2 PRO 14 + QD2 LEU 52 OK 20 83 - 24 - 2280/2.1=5, 2266/3.1=4...(9) Peak 2288 from cnoeabs.peaks (1.33, 0.51, 22.90 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 52 + QD2 LEU 52 OK 100 100 - 100 - 3.1=100 HB2 LEU 51 + QD2 LEU 52 OK 64 93 - 69 - 4.6/670=15, 2264=11...(25) QB ALA 28 - QD2 LEU 52 OK 33 100 - 33 - 5532/2.1=10, 2281/2.1=4...(11) HG3 LYS 32 - QD2 LEU 52 OK 19 99 - 19 - 2281/2.1=2, 3.9/5695=2...(8) HG2 ARG 54 - QD2 LEU 52 OK 14 60 - 24 - 3.7/5695=5, 195/4.8=2...(11) QB ALA 12 - QD2 LEU 52 lone 6 100 - 5 - QG2 THR 58 - QD2 LEU 52 lone 5 76 - 6 - 5755/4.8=1 QB ALA 16 - QD2 LEU 52 lone 3 73 - 4 - Peak 2289 from cnoeabs.peaks (1.47, 0.51, 22.90 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 52 + QD2 LEU 52 OK 100 100 - 100 - 3.1=100 HB3 LEU 57 + QD2 LEU 52 OK 79 100 - 80 - 3.1/4613=25, 3.1/5751=17...(25) QB ALA 63 - QD2 LEU 52 OK 28 95 - 29 - 3.6/2286=8, 3913/4.8=4...(9) HG12 ILE 33 - QD2 LEU 52 OK 26 60 - 44 - 1.8/2290=5, ~5197=5...(22) HG2 LYS 73 - QD2 LEU 52 OK 14 100 - 14 - 2282/2.1=2, 2275/2.1=2...(5) QB ALA 30 - QD2 LEU 52 OK 13 63 - 21 - 2.1/4548=3, ~5535=2...(10) HG3 LYS 13 - QD2 LEU 52 lone 6 89 - 6 - HG3 LYS 85 - QD2 LEU 52 lone 3 83 - 3 - Peak 2290 from cnoeabs.peaks (1.20, 0.51, 22.90 ppm; 3.00 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 52 + QD2 LEU 52 OK 100 100 - 100 - 2.1=100 QG2 VAL 65 + QD2 LEU 52 OK 62 89 - 70 - 4726=22, 2.1/4728=22...(19) HG13 ILE 33 - QD2 LEU 52 OK 25 73 - 34 - 2283/2.1=3, ~5197=3...(19) QG2 THR 37 - QD2 LEU 52 OK 15 73 - 20 - 6128/3.1=3, 3.2/4547=3...(8) QG2 THR 15 - QD2 LEU 52 lone 9 100 - 8 - 2283/2.1=1, 2269/3.1=1 Peak 2291 from cnoeabs.peaks (0.44, 0.51, 22.90 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + QD2 LEU 52 OK 100 100 - 100 - 2.1=100 Peak 2292 from cnoeabs.peaks (0.51, 0.51, 22.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + QD2 LEU 52 OK 100 100 - 100 Peak 2293 from cnoeabs.peaks (7.22, 4.16, 52.94 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + HA ALA 53 OK 100 100 - 100 - 3.0=100 H ILE 40 - HA ALA 53 OK 13 76 - 17 - 207/3.6=6, 2296/2.1=3...(4) Peak 2294 from cnoeabs.peaks (4.16, 4.16, 52.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 53 + HA ALA 53 OK 100 100 - 100 Peak 2295 from cnoeabs.peaks (1.39, 4.16, 52.94 ppm; 2.83 A): 1 out of 12 assignments used, quality = 1.00: * QB ALA 53 + HA ALA 53 OK 100 100 - 100 - 2.1=100 HG3 LYS 39 - HA ALA 53 OK 12 96 - 12 - 209/3.6=3, 4967/4.8=2...(4) HG3 LYS 73 - HA ALA 53 OK 10 100 - 10 - 673/3.0=2, ~203=1, 209/3.6=1 HG2 LYS 75 - HA ALA 53 lone 5 100 - 5 - HG3 LYS 75 - HA ALA 53 lone 5 100 - 5 - HB3 ARG 69 - HA ALA 53 lone 4 100 - 4 - HG3 ARG 69 - HA ALA 53 lone 4 90 - 4 - HG2 LYS 85 - HA ALA 53 lone 2 92 - 2 - QB ALA 78 - HA ALA 53 lone 2 100 - 2 - QB ALA 77 - HA ALA 53 lone 1 89 - 1 - HG2 LYS 83 - HA ALA 53 lone 1 73 - 1 - QB ALA 20 - HA ALA 53 lone 1 92 - 1 - Peak 2296 from cnoeabs.peaks (7.22, 1.39, 18.28 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 53 + QB ALA 53 OK 100 100 - 100 - 2.9=100 H ILE 40 - QB ALA 53 poor 9 76 - 12 - 207/3.6=4, 2293/2.1=3 H ALA 53 - QB ALA 78 lone 1 59 - 2 - H ILE 40 - QB ALA 78 lone 0 38 - 1 - Peak 2297 from cnoeabs.peaks (4.16, 1.39, 18.28 ppm; 2.68 A): 1 out of 18 assignments used, quality = 1.00: * HA ALA 53 + QB ALA 53 OK 100 100 - 100 - 2.1=100 HA LYS 73 - QB ALA 53 lone 6 95 - 6 - 672/2.9=1 HA ASN 49 - QB ALA 53 lone 5 71 - 7 - 672/2.9=2, 4495/3.6=1 HA LEU 29 - QB ALA 53 lone 3 100 - 3 - 672/2.9=1 HA LYS 73 - QB ALA 78 lone 2 52 - 5 - HB THR 15 - QB ALA 53 lone 2 100 - 2 - HA ARG 82 - QB ALA 53 lone 2 95 - 2 - HA ILE 89 - QB ALA 53 lone 1 99 - 1 - HA ALA 53 - QB ALA 78 lone 1 59 - 2 - HA ALA 30 - QB ALA 53 lone 1 63 - 2 - HA ARG 82 - QB ALA 78 lone 1 52 - 2 - HA ARG 84 - QB ALA 53 lone 1 81 - 1 - HA ARG 84 - QB ALA 78 lone 1 41 - 1 - HA ILE 89 - QB ALA 78 lone 0 58 - 1 - HB THR 15 - QB ALA 78 lone 0 59 - 1 - HA LEU 29 - QB ALA 78 lone 0 59 - 1 - HA ASN 49 - QB ALA 78 lone 0 35 - 0 - HA ALA 30 - QB ALA 78 lone 0 30 - 0 - Peak 2298 from cnoeabs.peaks (1.39, 1.39, 18.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QB ALA 53 + QB ALA 53 OK 100 100 - 100 QB ALA 78 + QB ALA 78 OK 58 58 - 100 Peak 2299 from cnoeabs.peaks (7.53, 4.01, 57.13 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 54 + HA ARG 54 OK 100 100 - 100 - 3.0=100 H LEU 51 + HA ARG 54 OK 67 100 - 68 - 2315/3.0=9, 2307/3.0=9...(23) H LEU 43 - HA ARG 54 OK 17 97 - 17 - 2315/3.0=2, 210/3.6=2...(7) HD21 ASN 80 - HA ARG 54 lone 9 92 - 10 - 2315/3.0=1, 2307/3.0=1...(5) Peak 2300 from cnoeabs.peaks (4.01, 4.01, 57.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 54 + HA ARG 54 OK 100 100 - 100 Peak 2301 from cnoeabs.peaks (1.76, 4.01, 57.13 ppm; 3.44 A): 1 out of 17 assignments used, quality = 1.00: * HB2 ARG 54 + HA ARG 54 OK 100 100 - 100 - 3.0=100 HB3 LYS 39 - HA ARG 54 OK 31 89 - 36 - 2.9/4967=5, 2.9/2302=4...(15) HB3 LYS 32 - HA ARG 54 OK 27 99 - 28 - 2317/3.0=3, 2325/3.7=2...(13) HB2 LYS 32 - HA ARG 54 OK 27 99 - 28 - 2317/3.0=3, 2325/3.7=2...(13) HB2 LEU 62 - HA ARG 54 OK 25 85 - 29 - 5777/3.6=3, 1.8/2304=3...(11) HG2 PRO 34 - HA ARG 54 OK 21 99 - 21 - 212/3.6=2, 4246/4662=2...(6) HB2 PRO 34 - HA ARG 54 OK 18 93 - 19 - 2308=2, 2317/3.0=2...(6) HB2 LEU 57 - HA ARG 54 OK 16 100 - 16 - 212/3.6=3, 4982/3.0=2...(7) HB ILE 33 - HA ARG 54 OK 15 100 - 15 - 4219/3.7=2, ~4569=2...(7) HB3 LYS 73 - HA ARG 54 OK 13 96 - 14 - 4.0/5987=3, 1.8/5061=2...(4) HB3 ARG 82 - HA ARG 54 OK 12 100 - 12 - 5479/3.0=2, ~5480=1 HB3 LYS 75 - HA ARG 54 lone 7 78 - 8 - 2.7/4967=1, 2.7/4967=1 HG3 ARG 71 - HA ARG 54 lone 3 93 - 3 - HB2 LYS 13 - HA ARG 54 lone 2 73 - 3 - HB3 ARG 17 - HA ARG 54 lone 2 78 - 2 - HB2 LYS 83 - HA ARG 54 lone 2 90 - 2 - HG3 ARG 26 - HA ARG 54 lone 1 89 - 2 - Peak 2302 from cnoeabs.peaks (1.55, 4.01, 57.13 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 54 + HA ARG 54 OK 100 100 - 100 - 3.0=100 HG3 ARG 54 + HA ARG 54 OK 56 63 - 90 - 3.7=70, 1.8/2324=18...(22) HG2 LYS 39 - HA ARG 54 OK 34 100 - 34 - 1.8/4967=5, 677/3.0=4...(12) HG LEU 62 - HA ARG 54 OK 21 87 - 24 - 2.1/5365=2, 2310/3.0=2...(9) HB3 LEU 86 - HA ARG 54 lone 7 92 - 7 - HG LEU 64 - HA ARG 54 lone 7 99 - 7 - HG2 ARG 82 - HA ARG 54 lone 6 83 - 7 - HG3 ARG 23 - HA ARG 54 lone 5 99 - 5 - 4.9/40=1 Peak 2303 from cnoeabs.peaks (1.31, 4.01, 57.13 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 54 + HA ARG 54 OK 100 100 - 100 - 3.7=99, 2326/3.0=15...(27) HB2 LEU 51 + HA ARG 54 OK 74 92 - 81 - 1.8/4523=9, ~5145=9...(32) HB2 LEU 52 - HA ARG 54 OK 27 60 - 45 - ~4966=8, 3.1/5695=6...(13) HG3 LYS 32 - HA ARG 54 OK 24 78 - 31 - 2319/3.0=4, 1598/3.7=3...(14) HG2 LYS 32 - HA ARG 54 OK 22 76 - 29 - 2319/3.0=3, 2.9/2301=3...(14) QG2 THR 58 - HA ARG 54 OK 12 99 - 12 - 4623/3.6=4, 678/3.0=1...(5) QB ALA 12 - HA ARG 54 lone 1 68 - 2 - Peak 2304 from cnoeabs.peaks (1.58, 4.01, 57.13 ppm; 3.30 A): 3 out of 13 assignments used, quality = 0.98: * HG3 ARG 54 + HA ARG 54 OK 90 100 - 90 - 3.7=70, 1.8/2324=18...(23) HB3 ARG 54 + HA ARG 54 OK 63 63 - 100 - 3.0=100 HB3 LEU 51 + HA ARG 54 OK 53 76 - 69 - 1.8/2303=8, ~5145=7...(30) HB3 LEU 62 - HA ARG 54 OK 27 96 - 28 - 1.8/2301=3, 5778/3.6=2...(11) HD3 LYS 39 - HA ARG 54 OK 26 99 - 27 - 3.0/4967=4, 3.5/2301=2...(11) HD2 LYS 39 - HA ARG 54 OK 26 99 - 26 - 3.0/4967=4, 3.5/2301=2...(11) HG LEU 62 - HA ARG 54 OK 23 97 - 24 - 2332=3, 2.1/5365=2...(9) HG2 LYS 39 - HA ARG 54 OK 17 63 - 27 - 1.8/4967=5, 677/3.0=3...(10) HB3 LEU 86 - HA ARG 54 lone 6 95 - 6 - HB3 LEU 29 - HA ARG 54 lone 6 100 - 6 - HG LEU 86 - HA ARG 54 lone 6 78 - 7 - HG2 ARG 84 - HA ARG 54 lone 5 89 - 5 - HG3 ARG 84 - HA ARG 54 lone 5 89 - 5 - Peak 2305 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.99: * HD2 ARG 54 + HA ARG 54 OK 92 100 - 92 - 5.4=53, 3.0/2324=22...(29) HD3 ARG 54 + HA ARG 54 OK 92 100 - 92 - 5.4=53, 3.0/2324=22...(29) HB2 TYR 81 - HA ARG 54 OK 42 100 - 43 - ~4684=9, 2322/3.0=7...(11) Peak 2306 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.99: * HD3 ARG 54 + HA ARG 54 OK 92 100 - 92 - 5.4=53, 3.0/2324=22...(29) HD2 ARG 54 + HA ARG 54 OK 92 100 - 92 - 5.4=53, 3.0/2324=22...(29) HB2 TYR 81 - HA ARG 54 OK 42 100 - 43 - ~4684=9, 2322/3.0=7...(11) Peak 2307 from cnoeabs.peaks (7.53, 1.76, 30.94 ppm; 3.46 A): 2 out of 12 assignments used, quality = 0.95: * H ARG 54 + HB2 ARG 54 OK 85 100 - 85 - 4.1=61, 677/1.8=16...(15) H LEU 51 + HB2 ARG 54 OK 65 100 - 65 - 2315/1.8=12, 2299/3.0=9...(20) H LEU 43 - HB2 ARG 54 OK 15 97 - 15 - 2315/1.8=3, 2299/3.0=2...(5) HD21 ASN 80 - HB2 ARG 54 lone 9 92 - 9 - 2315/1.8=2, 2299/3.0=1 H ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 676/2.3=3, 676=2...(6) H LEU 51 - HB2 PRO 34 poor 8 51 - 15 - ~4862=3, 4.5/5144=2...(7) HD21 ASN 80 - HB2 PRO 34 lone 2 42 - 4 - 6018/3.0=1, 4.3/6053=1 H LEU 51 - HB3 ARG 17 lone 1 49 - 2 - H ARG 54 - HB3 ARG 17 lone 1 49 - 2 - H LEU 43 - HB2 PRO 34 lone 1 47 - 2 - H LEU 43 - HB3 ARG 17 lone 1 45 - 1 - HD21 ASN 80 - HB3 ARG 17 lone 0 41 - 1 - Peak 2308 from cnoeabs.peaks (4.01, 1.76, 30.94 ppm; 3.61 A): 1 out of 12 assignments used, quality = 1.00: * HA ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 SER 22 - HB2 ARG 54 OK 39 100 - 39 - 2316/1.8=8, 2324/3.0=6...(12) HA PHE 48 - HB2 ARG 54 OK 20 81 - 25 - 2316/1.8=4, 4466/3.0=4...(10) HA ARG 70 - HB2 ARG 54 OK 12 99 - 12 - 2316/1.8=3, 2324/3.0=2...(5) HA ARG 54 - HB2 PRO 34 OK 11 51 - 22 - 2301=3, 2301/2.3=2...(7) HB2 SER 22 - HB2 PRO 34 lone 5 51 - 9 - ~4862=2, ~5497=1...(4) HA ARG 70 - HB3 ARG 17 lone 3 48 - 6 - 3.6/779=2 HA PHE 48 - HB2 PRO 34 lone 2 35 - 5 - ~4473=1 HA ARG 54 - HB3 ARG 17 lone 1 49 - 3 - HA ARG 70 - HB2 PRO 34 lone 1 50 - 2 - HB2 SER 22 - HB3 ARG 17 lone 1 49 - 2 - HA PHE 48 - HB3 ARG 17 lone 0 34 - 1 - Peak 2309 from cnoeabs.peaks (1.76, 1.76, 30.94 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 54 + HB2 ARG 54 OK 100 100 - 100 HB2 PRO 34 - HB2 PRO 34 OK 43 43 - 100 HB3 ARG 17 - HB3 ARG 17 OK 32 32 - 100 Peak 2310 from cnoeabs.peaks (1.55, 1.76, 30.94 ppm; 2.64 A): 2 out of 24 assignments used, quality = 1.00: * HB3 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 1.8=100 HG3 ARG 54 + HB2 ARG 54 OK 51 63 - 81 - 3.0=72, ~2326=7, ~2324=4...(14) HG2 LYS 39 - HB2 ARG 54 OK 27 100 - 27 - 2302/3.0=2, 2326/3.0=2...(11) HG LEU 62 - HB2 ARG 54 OK 18 87 - 21 - 2326/3.0=2, 2.1/2594=2...(7) HB3 ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 2317=2, 2317/2.3=2 HG2 LYS 39 - HB2 PRO 34 poor 8 51 - 15 - 1864/1.8=2, 1865=1 HG2 ARG 82 - HB2 ARG 54 lone 6 83 - 8 - 2.9/3237=1 HG LEU 64 - HB2 ARG 54 lone 5 99 - 5 - HB3 LEU 86 - HB2 ARG 54 lone 5 92 - 5 - HG LEU 64 - HB3 ARG 17 lone 4 47 - 8 - HG3 ARG 54 - HB2 PRO 34 poor 3 26 - 10 - 1.8/2325=1 HG3 ARG 23 - HB3 ARG 17 lone 3 47 - 5 - HB3 LEU 86 - HB2 PRO 34 lone 2 42 - 6 - HG3 ARG 23 - HB2 ARG 54 lone 2 99 - 2 - HB3 LEU 86 - HB3 ARG 17 lone 2 41 - 5 - HG2 ARG 82 - HB2 PRO 34 lone 2 36 - 5 - HG LEU 62 - HB3 ARG 17 lone 1 37 - 3 - HG2 LYS 39 - HB3 ARG 17 lone 1 49 - 2 - HG LEU 62 - HB2 PRO 34 lone 1 39 - 2 - HB3 ARG 54 - HB3 ARG 17 lone 1 49 - 1 - HG LEU 64 - HB2 PRO 34 lone 1 49 - 1 - HG3 ARG 23 - HB2 PRO 34 lone 1 49 - 1 - HG2 ARG 82 - HB3 ARG 17 lone 1 35 - 2 - HG3 ARG 54 - HB3 ARG 17 lone 0 25 - 1 - Peak 2311 from cnoeabs.peaks (1.31, 1.76, 30.94 ppm; 3.85 A): 2 out of 21 assignments used, quality = 1.00: * HG2 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HB2 ARG 54 OK 78 92 - 85 - 3.1/5144=14, ~5145=13...(37) HG3 LYS 32 - HB2 ARG 54 OK 35 78 - 45 - 2319/1.8=5, 1598/3.0=4...(21) HG2 LYS 32 - HB2 ARG 54 OK 32 76 - 43 - 2319/1.8=5, 1.8/1596=4...(21) HB2 LEU 52 - HB2 ARG 54 OK 20 60 - 34 - 4.6/5307=6, ~5695=4...(13) QG2 THR 58 - HB2 ARG 54 OK 16 99 - 16 - 4623/4.6=4, 2319/1.8=2...(5) HG2 ARG 54 - HB2 PRO 34 OK 14 51 - 28 - 2325=3, 2325/2.3=3...(7) HB2 LEU 51 - HB2 PRO 34 OK 10 42 - 24 - ~4862=3, 3.1/5144=3...(10) HG3 LYS 32 - HB2 PRO 34 poor 10 34 - 30 - 1.8/1587=2, 1596=2...(15) HG2 LYS 32 - HB2 PRO 34 poor 9 32 - 29 - 1.8/1596=2, 1587=2...(15) HG3 LYS 32 - HB3 ARG 17 lone 2 32 - 6 - QG2 THR 58 - HB2 PRO 34 lone 2 50 - 4 - QB ALA 12 - HB2 ARG 54 lone 2 68 - 2 - HG2 LYS 32 - HB3 ARG 17 lone 2 31 - 5 - HG2 ARG 54 - HB3 ARG 17 lone 1 49 - 3 - HB2 LEU 51 - HB3 ARG 17 lone 1 41 - 3 - HB2 LEU 52 - HB2 PRO 34 lone 1 24 - 5 - QB ALA 12 - HB2 PRO 34 lone 0 28 - 2 - QG2 THR 58 - HB3 ARG 17 lone 0 48 - 1 - QB ALA 12 - HB3 ARG 17 lone 0 27 - 2 - HB2 LEU 52 - HB3 ARG 17 lone 0 23 - 2 - Peak 2312 from cnoeabs.peaks (1.58, 1.76, 30.94 ppm; 2.66 A): 3 out of 39 assignments used, quality = 0.96: * HG3 ARG 54 + HB2 ARG 54 OK 84 100 - 84 - 3.0=73, ~2326=7...(15) HB3 ARG 54 + HB2 ARG 54 OK 63 63 - 100 - 1.8=100 HB3 LEU 51 + HB2 ARG 54 OK 38 76 - 51 - 3.1/5144=5, ~5145=5...(26) HB3 LEU 62 - HB2 ARG 54 OK 24 96 - 25 - 2580=2, 2328/3.0=2...(8) HG LEU 62 - HB2 ARG 54 OK 21 97 - 22 - 2333=2, 2.1/2594=2...(7) HD3 LYS 39 - HB2 ARG 54 OK 20 99 - 20 - 1896/1.8=2, 2304/3.0=1...(7) HD2 LYS 39 - HB2 ARG 54 OK 20 99 - 20 - 1896/1.8=2, 2304/3.0=1...(7) HG2 LYS 39 - HB2 ARG 54 OK 13 63 - 20 - ~1876=2, ~4967=2...(5) HG3 ARG 54 - HB2 PRO 34 poor 6 51 - 12 - 1.8/2325=1 HD3 LYS 39 - HB2 PRO 34 lone 5 50 - 10 - HD2 LYS 39 - HB2 PRO 34 lone 5 49 - 10 - HB3 LEU 86 - HB2 ARG 54 lone 4 95 - 4 - HG LEU 86 - HB2 ARG 54 lone 4 78 - 5 - HB3 LEU 29 - HB2 ARG 54 lone 4 100 - 4 - HG2 LYS 39 - HB2 PRO 34 poor 4 26 - 14 - HB3 ARG 54 - HB2 PRO 34 poor 3 26 - 14 - 2317=1 HG2 ARG 84 - HB2 ARG 54 lone 3 89 - 3 - HG3 ARG 84 - HB2 ARG 54 lone 3 89 - 3 - HB3 LEU 51 - HB2 PRO 34 lone 3 32 - 9 - ~4862=1, 3.1/5144=1 HB3 LEU 86 - HB2 PRO 34 lone 3 44 - 6 - HB3 LEU 86 - HB3 ARG 17 lone 2 43 - 5 - HG3 ARG 84 - HB3 ARG 17 lone 2 38 - 6 - HG2 ARG 84 - HB3 ARG 17 lone 2 38 - 6 - HB3 LEU 62 - HB3 ARG 17 lone 2 44 - 3 - HB3 LEU 62 - HB2 PRO 34 lone 1 45 - 3 - HG LEU 86 - HB3 ARG 17 lone 1 32 - 4 - HG LEU 62 - HB3 ARG 17 lone 1 45 - 3 - HG LEU 62 - HB2 PRO 34 lone 1 47 - 2 - HB3 LEU 29 - HB3 ARG 17 lone 1 49 - 1 - HD3 LYS 39 - HB3 ARG 17 lone 1 48 - 1 - HG LEU 86 - HB2 PRO 34 lone 1 34 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 1 40 - 2 - HG2 ARG 84 - HB2 PRO 34 lone 1 40 - 2 - HD2 LYS 39 - HB3 ARG 17 lone 1 47 - 1 - HG3 ARG 54 - HB3 ARG 17 lone 1 49 - 1 - HB3 LEU 29 - HB2 PRO 34 lone 0 51 - 1 - HG2 LYS 39 - HB3 ARG 17 lone 0 25 - 2 - HB3 ARG 54 - HB3 ARG 17 lone 0 25 - 1 - HB3 LEU 51 - HB3 ARG 17 lone 0 31 - 1 - Peak 2313 from cnoeabs.peaks (3.03, 1.76, 30.94 ppm; 3.82 A): 3 out of 9 assignments used, quality = 1.00: * HD2 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.6=100 HD3 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 TYR 81 + HB2 ARG 54 OK 46 100 - 46 - ~4684=9, 2.5/4683=7...(12) HD2 ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 3.0/2325=2, 3.6/2317=2...(4) HD3 ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 3.0/2325=2, 3.6/2317=2...(4) HB2 TYR 81 - HB2 PRO 34 lone 3 50 - 7 - 2.5/4683=2, ~4683=1 HD2 ARG 54 - HB3 ARG 17 lone 1 49 - 2 - HD3 ARG 54 - HB3 ARG 17 lone 1 49 - 2 - HB2 TYR 81 - HB3 ARG 17 lone 1 48 - 1 - Peak 2314 from cnoeabs.peaks (3.03, 1.76, 30.94 ppm; 3.82 A): 3 out of 9 assignments used, quality = 1.00: * HD3 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.6=100 HD2 ARG 54 + HB2 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 TYR 81 + HB2 ARG 54 OK 46 100 - 46 - ~4684=9, 2.5/4683=7...(12) HD3 ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 3.0/2325=2, 3.6/2317=2...(4) HD2 ARG 54 - HB2 PRO 34 poor 8 51 - 15 - 3.0/2325=2, 3.6/2317=2...(4) HB2 TYR 81 - HB2 PRO 34 lone 4 51 - 7 - 2.5/4683=2, ~4683=1 HD3 ARG 54 - HB3 ARG 17 lone 1 49 - 2 - HD2 ARG 54 - HB3 ARG 17 lone 1 49 - 2 - HB2 TYR 81 - HB3 ARG 17 lone 1 49 - 1 - Peak 2315 from cnoeabs.peaks (7.53, 1.55, 30.94 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.98: * H ARG 54 + HB3 ARG 54 OK 93 100 - 93 - 4.1=77, 2307/1.8=18...(16) H LEU 51 + HB3 ARG 54 OK 70 100 - 70 - 2307/1.8=13, 3.0/5220=13...(17) H LEU 43 - HB3 ARG 54 OK 17 97 - 18 - 2307/1.8=3, 2299/3.0=3...(6) HD21 ASN 80 - HB3 ARG 54 poor 10 92 - 10 - 2307/1.8=2, 2299/3.0=2 Peak 2316 from cnoeabs.peaks (4.01, 1.55, 30.94 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 SER 22 - HB3 ARG 54 OK 39 100 - 39 - 2308/1.8=7, 2324/3.0=6...(12) HA PHE 48 - HB3 ARG 54 OK 18 81 - 22 - 2308/1.8=4, 4466/3.0=3...(9) HA ARG 70 - HB3 ARG 54 OK 11 99 - 11 - 2308/1.8=2, 2324/3.0=2...(5) Peak 2317 from cnoeabs.peaks (1.76, 1.55, 30.94 ppm; 2.86 A): 1 out of 17 assignments used, quality = 1.00: * HB2 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 1.8=100 HB3 LYS 32 - HB3 ARG 54 OK 32 99 - 33 - 5479=3, 1.8/5479=2...(12) HB2 LYS 32 - HB3 ARG 54 OK 32 99 - 33 - 5479=3, 1.8/5479=2...(12) HB3 LYS 39 - HB3 ARG 54 OK 28 89 - 32 - 2.9/1876=3, 3.0/1836=2...(12) HB2 LEU 62 - HB3 ARG 54 OK 25 85 - 29 - 2575=2, 5777/4.6=2...(9) HG2 PRO 34 - HB3 ARG 54 OK 20 99 - 20 - 4246/4563=3, 2325/3.0=1...(6) HB2 LEU 57 - HB3 ARG 54 OK 16 100 - 16 - 4982=2, 4982/3.0=2...(5) HB2 PRO 34 - HB3 ARG 54 OK 16 93 - 17 - 5479=2, 4247/4563=1 HB3 ARG 82 - HB3 ARG 54 OK 14 100 - 14 - 1.8/5480=2, 5479=2, 4.0/5478=2 HB ILE 33 - HB3 ARG 54 OK 14 100 - 14 - 3.0/4569=2, 4219/3.0=1, ~4568=1 HB3 LYS 73 - HB3 ARG 54 lone 6 96 - 7 - HB3 LYS 75 - HB3 ARG 54 lone 4 78 - 4 - HG3 ARG 71 - HB3 ARG 54 lone 2 93 - 2 - HB3 ARG 17 - HB3 ARG 54 lone 1 78 - 2 - HB2 LYS 13 - HB3 ARG 54 lone 1 73 - 2 - HB2 LYS 83 - HB3 ARG 54 lone 1 90 - 1 - HG3 ARG 26 - HB3 ARG 54 lone 1 89 - 1 - Peak 2318 from cnoeabs.peaks (1.55, 1.55, 30.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 54 + HB3 ARG 54 OK 100 100 - 100 Peak 2319 from cnoeabs.peaks (1.31, 1.55, 30.94 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HB3 ARG 54 OK 72 92 - 79 - 3.1/5145=15, 3.0/5220=12...(38) HG3 LYS 32 - HB3 ARG 54 OK 31 78 - 40 - 2.9/2317=3, 2.9/2317=3...(19) HG2 LYS 32 - HB3 ARG 54 OK 29 76 - 38 - 2.9/2317=3, 2.9/2317=3...(19) HB2 LEU 52 - HB3 ARG 54 OK 16 60 - 27 - 4.6/5306=3, ~5695=3...(10) QG2 THR 58 - HB3 ARG 54 OK 12 99 - 12 - 4623/4.6=3, 2311/1.8=1 QB ALA 12 - HB3 ARG 54 lone 1 68 - 2 - Peak 2320 from cnoeabs.peaks (1.58, 1.55, 30.94 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: HB3 ARG 54 + HB3 ARG 54 OK 63 63 - 100 Reference assignment not found: HG3 ARG 54 - HB3 ARG 54 Peak 2321 from cnoeabs.peaks (3.03, 1.55, 30.94 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.6=100 HD3 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 TYR 81 + HB3 ARG 54 OK 47 100 - 47 - 2.5/4684=13, 2314/1.8=6...(12) Peak 2322 from cnoeabs.peaks (3.03, 1.55, 30.94 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.6=100 HD2 ARG 54 + HB3 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 TYR 81 + HB3 ARG 54 OK 47 100 - 47 - 2.5/4684=13, 2314/1.8=6...(12) Peak 2323 from cnoeabs.peaks (7.53, 1.31, 27.15 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.99: * H ARG 54 + HG2 ARG 54 OK 93 100 - 93 - 4.9=58, 3.0/2324=20...(20) H LEU 51 + HG2 ARG 54 OK 80 100 - 80 - 2315/3.0=12, 2307/3.0=12...(24) H LEU 43 - HG2 ARG 54 OK 19 97 - 19 - 2315/3.0=3, 2307/3.0=3...(8) HD21 ASN 80 - HG2 ARG 54 OK 12 92 - 12 - 2315/3.0=2, 2307/3.0=2...(5) Peak 2324 from cnoeabs.peaks (4.01, 1.31, 27.15 ppm; 3.66 A): 1 out of 4 assignments used, quality = 0.99: * HA ARG 54 + HG2 ARG 54 OK 99 100 - 99 - 3.7=96, 3.0/2326=15...(25) HB2 SER 22 - HG2 ARG 54 OK 38 100 - 39 - 2316/3.0=7, 2308/3.0=6...(12) HA PHE 48 - HG2 ARG 54 OK 19 81 - 24 - 4466=5, 2316/3.0=3...(11) HA ARG 70 - HG2 ARG 54 OK 11 99 - 11 - 2316/3.0=2, 2308/3.0=2...(4) Peak 2325 from cnoeabs.peaks (1.76, 1.31, 27.15 ppm; 3.57 A): 3 out of 17 assignments used, quality = 1.00: * HB2 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 LYS 32 + HG2 ARG 54 OK 46 99 - 47 - 3.0/1558=4, 2317/3.0=3...(23) HB3 LYS 32 + HG2 ARG 54 OK 46 99 - 47 - 3.0/1558=4, 2317/3.0=3...(23) HB2 LEU 62 - HG2 ARG 54 OK 36 85 - 43 - 1.8/2328=4, 3.0/2326=3...(22) HB3 LYS 39 - HG2 ARG 54 OK 36 89 - 40 - 4.4/5949=4, 2.9/2326=4...(23) HG2 PRO 34 - HG2 ARG 54 OK 29 99 - 29 - 4246/4968=5, 2317/3.0=2...(8) HB ILE 33 - HG2 ARG 54 OK 25 100 - 25 - 3.0/4570=3, 3.9/99=3...(9) HB2 LEU 57 - HG2 ARG 54 OK 23 100 - 23 - 4982/1.8=3, 4982/3.0=3...(8) HB2 PRO 34 - HG2 ARG 54 OK 22 93 - 24 - 4247/4968=2, 2317/3.0=2...(7) HB3 ARG 82 - HG2 ARG 54 OK 16 100 - 16 - 5479/3.0=2, ~5480=1...(5) HB3 LYS 73 - HG2 ARG 54 lone 8 96 - 8 - HB3 LYS 75 - HG2 ARG 54 lone 4 78 - 5 - HG3 ARG 71 - HG2 ARG 54 lone 3 93 - 3 - HB3 ARG 17 - HG2 ARG 54 lone 2 78 - 2 - HB2 LYS 13 - HG2 ARG 54 lone 2 73 - 3 - HG3 ARG 26 - HG2 ARG 54 lone 2 89 - 2 - HB2 LYS 83 - HG2 ARG 54 lone 2 90 - 2 - Peak 2326 from cnoeabs.peaks (1.55, 1.31, 27.15 ppm; 2.80 A): 2 out of 8 assignments used, quality = 0.97: * HB3 ARG 54 + HG2 ARG 54 OK 92 100 - 92 - 3.0=85, 3.0/2324=9...(19) HG3 ARG 54 + HG2 ARG 54 OK 63 63 - 100 - 1.8=100 HG2 LYS 39 - HG2 ARG 54 OK 25 100 - 25 - 1869/1.8=3, 2310/3.0=2...(11) HG LEU 62 - HG2 ARG 54 OK 21 87 - 25 - 2335=2, 2.1/5004=2...(7) HB3 LEU 86 - HG2 ARG 54 lone 5 92 - 6 - HG2 ARG 82 - HG2 ARG 54 lone 4 83 - 5 - HG LEU 64 - HG2 ARG 54 lone 4 99 - 4 - HG3 ARG 23 - HG2 ARG 54 lone 2 99 - 2 - Peak 2327 from cnoeabs.peaks (1.31, 1.31, 27.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 54 + HG2 ARG 54 OK 100 100 - 100 Peak 2328 from cnoeabs.peaks (1.58, 1.31, 27.15 ppm; 2.66 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 1.8=100 HB3 ARG 54 + HG2 ARG 54 OK 53 63 - 84 - 3.0=73, 3.0/2324=8...(18) HB3 LEU 51 - HG2 ARG 54 OK 41 76 - 55 - 2225=6, ~5145=4...(31) HB3 LEU 62 - HG2 ARG 54 OK 24 96 - 25 - 1.8/2325=2, 3.1/5004=2...(7) HG LEU 62 - HG2 ARG 54 OK 22 97 - 23 - 2335=3, 2.1/5004=2...(8) HD3 LYS 39 - HG2 ARG 54 OK 16 99 - 16 - 1896/3.0=1, 2312/3.0=1 HD2 LYS 39 - HG2 ARG 54 OK 16 99 - 16 - 1896/3.0=1, 2312/3.0=1 HG2 LYS 39 - HG2 ARG 54 OK 10 63 - 17 - 1869/1.8=2, 2.9/2325=1...(5) HG LEU 86 - HG2 ARG 54 lone 4 78 - 5 - HB3 LEU 86 - HG2 ARG 54 lone 4 95 - 4 - HB3 LEU 29 - HG2 ARG 54 lone 4 100 - 3 - HG2 ARG 84 - HG2 ARG 54 lone 3 89 - 4 - HG3 ARG 84 - HG2 ARG 54 lone 3 89 - 4 - Peak 2329 from cnoeabs.peaks (3.03, 1.31, 27.15 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 3.0=100 HD3 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 TYR 81 - HG2 ARG 54 OK 36 100 - 36 - ~4684=5, 2322/3.0=4...(13) Peak 2330 from cnoeabs.peaks (3.03, 1.31, 27.15 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 3.0=100 HD2 ARG 54 + HG2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 TYR 81 - HG2 ARG 54 OK 36 100 - 36 - ~4684=5, 2322/3.0=4...(13) Peak 2331 from cnoeabs.peaks (7.53, 1.58, 27.15 ppm; 3.91 A): 2 out of 20 assignments used, quality = 0.97: * H ARG 54 + HG3 ARG 54 OK 89 100 - 89 - 4.9=50, 2323/1.8=16...(17) H LEU 51 + HG3 ARG 54 OK 74 100 - 75 - 2323/1.8=14, 2315/3.0=11...(24) H ARG 54 - HG LEU 62 OK 25 90 - 28 - 679=3, 3.0/2332=3...(13) H LEU 43 - HG3 ARG 54 OK 18 97 - 18 - 2323/1.8=3, 2315/3.0=3...(5) H LEU 51 - HG LEU 62 OK 18 90 - 20 - 661/2.1=4, 3.0/4572=2...(6) H LEU 51 - HG LEU 86 OK 14 70 - 20 - 661/2.1=4, ~2213=2...(9) H LEU 43 - HG LEU 62 OK 13 85 - 15 - 625/2.1=3, 4.8/5213=2...(6) HD21 ASN 80 - HG3 ARG 54 OK 10 92 - 11 - 2323/1.8=2, 2315/3.0=2...(4) H ARG 54 - HG LEU 86 lone 7 70 - 9 - 677/3.0=1 H ARG 54 - HG2 ARG 84 lone 6 81 - 7 - H ARG 54 - HG3 ARG 84 lone 6 81 - 7 - H LEU 43 - HG LEU 86 lone 4 65 - 7 - 624/2.1=2, 4.8/5214=1 H LEU 51 - HG2 ARG 84 lone 4 81 - 5 - H LEU 51 - HG3 ARG 84 lone 4 81 - 5 - HD21 ASN 80 - HG LEU 62 lone 4 78 - 5 - 6020/2.1=2 H LEU 43 - HG2 ARG 84 lone 3 76 - 4 - H LEU 43 - HG3 ARG 84 lone 3 76 - 4 - HD21 ASN 80 - HG LEU 86 lone 1 59 - 2 - HD21 ASN 80 - HG3 ARG 84 lone 1 69 - 2 - HD21 ASN 80 - HG2 ARG 84 lone 1 69 - 2 - Peak 2332 from cnoeabs.peaks (4.01, 1.58, 27.15 ppm; 3.64 A): 1 out of 20 assignments used, quality = 0.98: * HA ARG 54 + HG3 ARG 54 OK 98 100 - 98 - 3.7=93, 2324/1.8=21...(24) HB2 SER 22 - HG3 ARG 54 OK 39 100 - 39 - 2324/1.8=8, 2316/3.0=6...(12) HA ARG 54 - HG LEU 62 OK 26 90 - 29 - 2304=3, 2304/3.0=2...(12) HA PHE 48 - HG3 ARG 54 OK 18 81 - 22 - 4466/1.8=4, 2316/3.0=3...(8) HA ARG 70 - HG3 ARG 54 OK 11 99 - 11 - 2324/1.8=2, 2316/3.0=2...(4) HA PHE 48 - HG LEU 62 OK 10 67 - 15 - 4467/2.1=3, 5365/2.1=2...(6) HA ARG 70 - HG2 ARG 84 poor 9 79 - 12 - 5984/3.0=2, 2844/3.0=1 HA ARG 70 - HG3 ARG 84 poor 9 79 - 12 - 5984/3.0=2, 2844/3.0=1 HA ARG 70 - HG LEU 62 lone 8 88 - 9 - ~5830=1 HA PHE 48 - HG3 ARG 84 poor 7 59 - 12 - 2139/2.9=2, 4464=2...(5) HA PHE 48 - HG2 ARG 84 poor 7 59 - 12 - 2139/2.9=2, 4464=2...(5) HA ARG 54 - HG LEU 86 lone 6 70 - 9 - HA ARG 70 - HG LEU 86 lone 6 68 - 8 - ~5831=1 HA PHE 48 - HG LEU 86 poor 6 49 - 12 - 4468/2.1=2, 4464=2...(4) HA ARG 54 - HG3 ARG 84 lone 5 81 - 6 - HA ARG 54 - HG2 ARG 84 lone 5 81 - 6 - HB2 SER 22 - HG LEU 62 lone 3 90 - 3 - HB2 SER 22 - HG2 ARG 84 lone 2 81 - 3 - HB2 SER 22 - HG3 ARG 84 lone 2 81 - 3 - HB2 SER 22 - HG LEU 86 lone 1 69 - 2 - Peak 2333 from cnoeabs.peaks (1.76, 1.58, 27.15 ppm; 2.61 A): 3 out of 85 assignments used, quality = 0.94: * HB2 ARG 54 + HG3 ARG 54 OK 81 100 - 81 - 3.0=69, ~2326=6...(16) HB2 LEU 62 + HG LEU 62 OK 57 71 - 80 - 3.0=68, 1.8/3523=4...(18) HB2 LYS 32 + HG3 ARG 54 OK 25 99 - 25 - 2325/1.8=2, 2317/3.0=2...(10) HB3 LYS 32 - HG3 ARG 54 OK 25 99 - 25 - 2325/1.8=2, 2317/3.0=2...(10) HB2 LEU 57 - HG LEU 62 OK 23 90 - 26 - 4982=3, ~4599=3...(12) HB2 LEU 62 - HG3 ARG 54 OK 20 85 - 23 - 2575=3, 2325/1.8=2...(8) HB2 ARG 54 - HG LEU 62 OK 19 90 - 21 - 2312=3, 3.0/2328=1...(6) HB3 LYS 39 - HG3 ARG 54 OK 17 89 - 20 - 2317/3.0=2, 2325/1.8=2...(6) HG2 PRO 34 - HG3 ARG 54 OK 14 99 - 14 - 4246/5950=1, 2325/1.8=1 HB2 LEU 62 - HG LEU 86 OK 14 53 - 27 - 2574=3, 2577/2.1=3...(6) HB2 LEU 57 - HG3 ARG 54 OK 12 100 - 12 - 4982=1, 4982/3.0=1...(4) HB ILE 33 - HG3 ARG 54 OK 11 100 - 11 - 4219/1.8=1, 3.0/4572=1 HB2 PRO 34 - HG3 ARG 54 OK 10 93 - 11 - 2325/1.8=1 HB3 ARG 82 - HG3 ARG 54 lone 7 100 - 7 - HB3 LYS 73 - HG3 ARG 84 lone 7 73 - 10 - HB3 LYS 73 - HG2 ARG 84 lone 7 73 - 10 - HB3 LYS 39 - HG LEU 86 poor 6 56 - 11 - ~5111=1 HB3 LYS 39 - HG LEU 62 lone 5 75 - 7 - HB ILE 33 - HG LEU 62 lone 5 90 - 6 - 4229/4.3=1 HG3 ARG 71 - HG3 ARG 84 lone 5 71 - 7 - HG3 ARG 71 - HG2 ARG 84 lone 5 71 - 7 - HG3 ARG 26 - HG LEU 62 lone 4 75 - 6 - HB2 LYS 32 - HG LEU 62 lone 4 87 - 4 - HB3 LYS 32 - HG LEU 62 lone 4 87 - 4 - HG3 ARG 71 - HG LEU 62 lone 4 80 - 5 - HB2 ARG 54 - HG LEU 86 lone 4 70 - 5 - HB3 LYS 73 - HG LEU 62 lone 4 83 - 4 - HB2 LYS 32 - HG3 ARG 84 lone 4 78 - 5 - HB2 LYS 32 - HG2 ARG 84 lone 4 78 - 5 - HB3 LYS 32 - HG3 ARG 84 lone 4 78 - 5 - HB3 LYS 32 - HG2 ARG 84 lone 4 78 - 5 - HB2 LEU 62 - HG3 ARG 84 lone 4 62 - 6 - HB2 LEU 62 - HG2 ARG 84 lone 4 62 - 6 - HB2 LYS 83 - HG2 ARG 84 lone 4 68 - 5 - 4.3/844=1 HB2 LYS 83 - HG3 ARG 84 lone 4 68 - 5 - 4.3/844=1 HB3 LYS 39 - HG2 ARG 84 lone 3 66 - 5 - HB3 LYS 39 - HG3 ARG 84 lone 3 66 - 5 - HB3 ARG 17 - HG2 ARG 84 lone 3 57 - 6 - HB3 ARG 17 - HG3 ARG 84 lone 3 57 - 6 - HG2 PRO 34 - HG LEU 62 lone 3 88 - 4 - HB3 LYS 73 - HG3 ARG 54 lone 3 96 - 3 - HB2 ARG 54 - HG2 ARG 84 lone 3 81 - 3 - HB2 ARG 54 - HG3 ARG 84 lone 3 81 - 3 - HB3 ARG 82 - HG3 ARG 84 lone 3 81 - 3 - HB3 ARG 82 - HG2 ARG 84 lone 3 81 - 3 - HB3 LYS 73 - HG LEU 86 lone 2 63 - 4 - HB2 PRO 34 - HG LEU 62 lone 2 80 - 2 - HB3 ARG 17 - HG LEU 86 lone 2 47 - 4 - HG3 ARG 26 - HG2 ARG 84 lone 2 66 - 3 - HG3 ARG 26 - HG3 ARG 84 lone 2 66 - 3 - HB3 LYS 75 - HG3 ARG 54 lone 2 78 - 2 - HB2 LEU 57 - HG LEU 86 lone 2 70 - 3 - HG2 PRO 34 - HG LEU 86 lone 2 68 - 2 - HB2 PRO 34 - HG LEU 86 lone 2 60 - 3 - HB3 LYS 32 - HG LEU 86 lone 2 67 - 2 - HB2 LYS 32 - HG LEU 86 lone 2 67 - 2 - HB3 ARG 17 - HG LEU 62 lone 1 65 - 2 - HG3 ARG 26 - HG LEU 86 lone 1 56 - 2 - HG3 ARG 71 - HG LEU 86 lone 1 60 - 2 - HG3 ARG 71 - HG3 ARG 54 lone 1 93 - 1 - HB ILE 33 - HG LEU 86 lone 1 69 - 2 - HB3 ARG 82 - HG LEU 62 lone 1 90 - 1 - HG2 PRO 34 - HG2 ARG 84 lone 1 79 - 1 - HG2 PRO 34 - HG3 ARG 84 lone 1 79 - 1 - HB3 LYS 75 - HG2 ARG 84 lone 1 57 - 2 - HB3 LYS 75 - HG3 ARG 84 lone 1 57 - 2 - HB2 PRO 34 - HG3 ARG 84 lone 1 71 - 1 - HB2 PRO 34 - HG2 ARG 84 lone 1 71 - 1 - HB2 LYS 83 - HG3 ARG 54 lone 1 90 - 1 - HB3 ARG 17 - HG3 ARG 54 lone 1 78 - 1 - HB2 LYS 13 - HG3 ARG 54 lone 1 73 - 1 - HB3 LYS 75 - HG LEU 62 lone 1 65 - 1 - HB3 LYS 75 - HG LEU 86 lone 1 47 - 2 - HG3 ARG 26 - HG3 ARG 54 lone 1 89 - 1 - HB3 ARG 82 - HG LEU 86 lone 1 70 - 1 - HB2 LEU 57 - HG2 ARG 84 lone 1 81 - 1 - HB2 LEU 57 - HG3 ARG 84 lone 1 81 - 1 - HB2 LYS 13 - HG LEU 62 lone 1 60 - 1 - HB2 LYS 13 - HG LEU 86 lone 1 44 - 2 - HB2 LYS 83 - HG LEU 86 lone 1 57 - 1 - HB2 LYS 83 - HG LEU 62 lone 1 77 - 1 - HB2 LYS 13 - HG3 ARG 84 lone 1 52 - 1 - HB2 LYS 13 - HG2 ARG 84 lone 1 52 - 1 - HB ILE 33 - HG3 ARG 84 lone 0 81 - 1 - HB ILE 33 - HG2 ARG 84 lone 0 81 - 1 - Peak 2334 from cnoeabs.peaks (1.55, 1.58, 27.15 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HG LEU 62 + HG LEU 62 OK 73 73 - 100 HG3 ARG 54 + HG3 ARG 54 OK 63 63 - 100 Reference assignment not found: HB3 ARG 54 - HG3 ARG 54 Peak 2335 from cnoeabs.peaks (1.31, 1.58, 27.15 ppm; 2.83 A): 2 out of 35 assignments used, quality = 1.00: * HG2 ARG 54 + HG3 ARG 54 OK 100 100 - 100 - 1.8=100 HB2 LEU 51 + HG3 ARG 54 OK 55 92 - 60 - 2319/3.0=5, ~5145=4...(34) HG2 ARG 54 - HG LEU 62 OK 25 90 - 28 - 2328=4, 2328/3.0=2...(11) HG3 LYS 32 - HG3 ARG 54 OK 20 78 - 26 - 1598/1.8=3, 2319/3.0=2...(11) HB2 LEU 52 - HG LEU 62 OK 19 49 - 40 - ~4680=7, ~5237=7...(15) HG2 LYS 32 - HG3 ARG 54 OK 19 76 - 25 - ~1598=2, 1589/1.8=2...(11) HB2 LEU 51 - HG LEU 62 OK 17 78 - 22 - 5004/2.1=2, ~2227=2...(8) HB2 LEU 51 - HG LEU 86 OK 12 59 - 21 - ~2227=2, 2219=2...(7) HB2 LEU 52 - HG3 ARG 54 poor 9 60 - 15 - 4.6/5951=2, 2303/3.7=1...(4) QG2 THR 58 - HG3 ARG 54 lone 6 99 - 6 - 4623/4.8=2 HG2 ARG 54 - HG LEU 86 lone 5 70 - 6 - HG2 ARG 54 - HG3 ARG 84 lone 4 81 - 4 - HG2 ARG 54 - HG2 ARG 84 lone 4 81 - 4 - HG3 LYS 32 - HG3 ARG 84 lone 3 57 - 5 - HG3 LYS 32 - HG2 ARG 84 lone 3 57 - 5 - HG3 LYS 32 - HG LEU 62 lone 3 65 - 4 - HG2 LYS 32 - HG3 ARG 84 lone 3 55 - 5 - HG2 LYS 32 - HG2 ARG 84 lone 3 55 - 5 - HG2 LYS 32 - HG LEU 62 lone 2 63 - 4 - HB2 LEU 51 - HG2 ARG 84 lone 2 69 - 3 - HB2 LEU 51 - HG3 ARG 84 lone 2 69 - 3 - HB2 LEU 52 - HG LEU 86 lone 2 35 - 5 - HG3 LYS 32 - HG LEU 86 lone 1 47 - 2 - HG2 LYS 32 - HG LEU 86 lone 1 46 - 2 - QG2 THR 58 - HG LEU 62 lone 1 88 - 1 - QB ALA 12 - HG3 ARG 54 lone 1 68 - 1 - HB2 LEU 52 - HG2 ARG 84 lone 1 42 - 1 - HB2 LEU 52 - HG3 ARG 84 lone 1 42 - 1 - QB ALA 12 - HG LEU 86 lone 0 40 - 1 - QG2 THR 58 - HG LEU 86 lone 0 68 - 0 - QG2 THR 58 - HG2 ARG 84 lone 0 79 - 0 - QG2 THR 58 - HG3 ARG 84 lone 0 79 - 0 - QB ALA 12 - HG LEU 62 lone 0 56 - 1 - QB ALA 12 - HG3 ARG 84 lone 0 48 - 0 - QB ALA 12 - HG2 ARG 84 lone 0 48 - 0 - Peak 2336 from cnoeabs.peaks (1.58, 1.58, 27.15 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 ARG 54 + HG3 ARG 54 OK 100 100 - 100 HG LEU 62 + HG LEU 62 OK 85 85 - 100 HG3 ARG 84 + HG3 ARG 84 OK 66 66 - 100 HG2 ARG 84 + HG2 ARG 84 OK 66 66 - 100 HG LEU 86 + HG LEU 86 OK 47 47 - 100 Peak 2337 from cnoeabs.peaks (3.03, 1.58, 27.15 ppm; 3.53 A): 2 out of 15 assignments used, quality = 1.00: * HD2 ARG 54 + HG3 ARG 54 OK 100 100 - 100 - 3.0=100 HD3 ARG 54 + HG3 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 TYR 81 - HG3 ARG 54 OK 39 100 - 39 - 2330/1.8=6, ~4684=6...(14) HD2 ARG 54 - HG LEU 62 OK 24 90 - 27 - 3.0/2328=3, ~5004=2...(10) HD3 ARG 54 - HG LEU 62 OK 24 90 - 27 - 3.0/2328=3, ~5004=2...(10) HD2 ARG 54 - HG LEU 86 lone 5 70 - 7 - HD3 ARG 54 - HG LEU 86 lone 5 70 - 7 - HB2 TYR 81 - HG2 ARG 84 lone 4 80 - 5 - 5458/3.9=2, ~6058=2, ~6059=1 HB2 TYR 81 - HG3 ARG 84 lone 4 80 - 5 - 5458/3.9=2, ~6058=2, ~6059=1 HD2 ARG 54 - HG2 ARG 84 lone 4 81 - 4 - HD2 ARG 54 - HG3 ARG 84 lone 4 81 - 4 - HD3 ARG 54 - HG2 ARG 84 lone 4 81 - 4 - HD3 ARG 54 - HG3 ARG 84 lone 4 81 - 4 - HB2 TYR 81 - HG LEU 62 lone 2 89 - 2 - HB2 TYR 81 - HG LEU 86 lone 1 69 - 1 - Peak 2338 from cnoeabs.peaks (3.03, 1.58, 27.15 ppm; 3.53 A): 2 out of 15 assignments used, quality = 1.00: * HD3 ARG 54 + HG3 ARG 54 OK 100 100 - 100 - 3.0=100 HD2 ARG 54 + HG3 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 TYR 81 - HG3 ARG 54 OK 39 100 - 39 - 2330/1.8=6, ~4684=6...(14) HD3 ARG 54 - HG LEU 62 OK 24 90 - 27 - 3.0/2328=3, ~5004=2...(10) HD2 ARG 54 - HG LEU 62 OK 24 90 - 27 - 3.0/2328=3, ~5004=2...(10) HD3 ARG 54 - HG LEU 86 lone 5 70 - 7 - HD2 ARG 54 - HG LEU 86 lone 5 70 - 7 - HB2 TYR 81 - HG2 ARG 84 lone 4 80 - 5 - 5458/3.9=2, ~6058=2, ~6059=1 HB2 TYR 81 - HG3 ARG 84 lone 4 80 - 5 - 5458/3.9=2, ~6058=2, ~6059=1 HD2 ARG 54 - HG2 ARG 84 lone 4 81 - 4 - HD2 ARG 54 - HG3 ARG 84 lone 4 81 - 4 - HD3 ARG 54 - HG2 ARG 84 lone 4 81 - 4 - HD3 ARG 54 - HG3 ARG 84 lone 4 81 - 4 - HB2 TYR 81 - HG LEU 62 lone 2 89 - 2 - HB2 TYR 81 - HG LEU 86 lone 1 69 - 1 - Peak 2339 from cnoeabs.peaks (7.53, 3.03, 43.51 ppm; 4.72 A): 4 out of 8 assignments used, quality = 1.00: * H ARG 54 + HD2 ARG 54 OK 92 100 - 92 - 6.4=41, 680/1.8=18...(20) H ARG 54 + HD3 ARG 54 OK 92 100 - 92 - 6.4=41, 680/1.8=18...(20) H LEU 51 + HD2 ARG 54 OK 81 100 - 81 - 3.0/4513=17, 2323/3.0=15...(17) H LEU 51 + HD3 ARG 54 OK 81 100 - 81 - 3.0/4513=17, 2323/3.0=15...(17) H LEU 43 - HD2 ARG 54 OK 17 97 - 18 - 2323/3.0=4, 2315/3.6=3...(6) H LEU 43 - HD3 ARG 54 OK 17 97 - 18 - 2323/3.0=4, 2315/3.6=3...(6) HD21 ASN 80 - HD2 ARG 54 OK 12 92 - 12 - 2323/3.0=2, 2315/3.6=2...(6) HD21 ASN 80 - HD3 ARG 54 OK 12 92 - 12 - 2323/3.0=2, 2315/3.6=2...(6) Peak 2340 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.20 A): 2 out of 8 assignments used, quality = 0.99: * HA ARG 54 + HD2 ARG 54 OK 91 100 - 91 - 5.4=48, 2324/3.0=21...(28) HA ARG 54 + HD3 ARG 54 OK 91 100 - 91 - 5.4=48, 2324/3.0=21...(28) HB2 SER 22 - HD2 ARG 54 OK 41 100 - 41 - 2324/3.0=8, 2316/3.6=7...(11) HB2 SER 22 - HD3 ARG 54 OK 41 100 - 41 - 2324/3.0=8, 2316/3.6=7...(11) HA PHE 48 - HD2 ARG 54 OK 20 81 - 25 - 4466/3.0=5, 2316/3.6=3...(8) HA PHE 48 - HD3 ARG 54 OK 20 81 - 25 - 4466/3.0=5, 2316/3.6=3...(8) HA ARG 70 - HD2 ARG 54 OK 10 99 - 10 - 2324/3.0=2, 2316/3.6=2...(4) HA ARG 70 - HD3 ARG 54 OK 10 99 - 10 - 2324/3.0=2, 2316/3.6=2...(4) Peak 2341 from cnoeabs.peaks (1.76, 3.03, 43.51 ppm; 3.65 A): 2 out of 34 assignments used, quality = 1.00: * HB2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.6=100 HB3 LYS 32 - HD2 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LYS 32 - HD2 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LYS 32 - HD3 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB3 LYS 32 - HD3 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LEU 62 - HD2 ARG 54 OK 27 85 - 32 - 2325/3.0=3, 2575/3.0=2...(16) HB2 LEU 62 - HD3 ARG 54 OK 27 85 - 32 - 2325/3.0=3, 2575/3.0=2...(16) HB3 LYS 39 - HD2 ARG 54 OK 25 89 - 29 - 2317/3.6=3, 2325/3.0=3...(13) HB3 LYS 39 - HD3 ARG 54 OK 25 89 - 29 - 2317/3.6=3, 2325/3.0=3...(13) HG2 PRO 34 - HD2 ARG 54 OK 18 99 - 18 - 4246/5363=2, 2325/3.0=2...(5) HG2 PRO 34 - HD3 ARG 54 OK 18 99 - 18 - 4246/5363=2, 2325/3.0=2...(5) HB3 ARG 82 - HD3 ARG 54 OK 16 100 - 16 - 4.0/5914=2, 3.0/5886=2...(7) HB3 ARG 82 - HD2 ARG 54 OK 15 100 - 15 - 4.0/5914=2, 3.0/5886=2...(7) HB ILE 33 - HD2 ARG 54 OK 15 100 - 15 - 4219/3.0=2, 3.0/4571=2...(5) HB ILE 33 - HD3 ARG 54 OK 15 100 - 15 - 4219/3.0=2, 3.0/4571=2...(5) HB2 LEU 57 - HD2 ARG 54 OK 13 100 - 13 - 4982/3.0=3, 4982/3.6=2...(4) HB2 LEU 57 - HD3 ARG 54 OK 13 100 - 13 - 4982/3.0=3, 4982/3.6=2...(4) HB2 PRO 34 - HD2 ARG 54 OK 12 93 - 13 - 2325/3.0=2, 2317/3.6=1...(5) HB2 PRO 34 - HD3 ARG 54 OK 12 93 - 13 - 2325/3.0=2, 2317/3.6=1...(5) HB3 LYS 73 - HD2 ARG 54 lone 5 96 - 5 - HB3 LYS 73 - HD3 ARG 54 lone 5 96 - 5 - HB3 LYS 75 - HD2 ARG 54 lone 3 78 - 3 - HB3 LYS 75 - HD3 ARG 54 lone 3 78 - 3 - HG3 ARG 71 - HD2 ARG 54 lone 2 93 - 2 - HG3 ARG 71 - HD3 ARG 54 lone 2 93 - 2 - HB3 ARG 17 - HD2 ARG 54 lone 1 78 - 2 - HB3 ARG 17 - HD3 ARG 54 lone 1 78 - 2 - HB2 LYS 83 - HD3 ARG 54 lone 1 90 - 1 - HB2 LYS 83 - HD2 ARG 54 lone 1 90 - 1 - HB2 LYS 13 - HD2 ARG 54 lone 1 73 - 2 - HB2 LYS 13 - HD3 ARG 54 lone 1 73 - 2 - HG3 ARG 26 - HD2 ARG 54 lone 1 89 - 1 - HG3 ARG 26 - HD3 ARG 54 lone 1 89 - 1 - Peak 2342 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 16 assignments used, quality = 1.00: * HB3 ARG 54 + HD2 ARG 54 OK 87 100 - 87 - 3.6=71, 2326/3.0=12...(21) HB3 ARG 54 + HD3 ARG 54 OK 87 100 - 87 - 3.6=71, 2326/3.0=12...(21) HG3 ARG 54 + HD2 ARG 54 OK 63 63 - 100 - 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 63 63 - 100 - 3.0=100 HG2 LYS 39 - HD2 ARG 54 OK 23 100 - 23 - 2326/3.0=3, 2310/3.6=3...(6) HG2 LYS 39 - HD3 ARG 54 OK 23 100 - 23 - 2326/3.0=3, 2310/3.6=3...(6) HG LEU 62 - HD2 ARG 54 OK 19 87 - 22 - 2326/3.0=3, 2337=2...(5) HG LEU 62 - HD3 ARG 54 OK 19 87 - 22 - 2326/3.0=3, 2338=2...(5) HG2 ARG 82 - HD2 ARG 54 lone 7 83 - 9 - 5.0/5914=1, 3.8/5886=1 HG2 ARG 82 - HD3 ARG 54 lone 7 83 - 9 - 5.0/5914=1, 3.8/5886=1 HB3 LEU 86 - HD2 ARG 54 lone 5 92 - 5 - HB3 LEU 86 - HD3 ARG 54 lone 5 92 - 5 - HG LEU 64 - HD2 ARG 54 lone 3 99 - 3 - HG LEU 64 - HD3 ARG 54 lone 3 99 - 3 - HG3 ARG 23 - HD2 ARG 54 lone 2 99 - 2 - HG3 ARG 23 - HD3 ARG 54 lone 2 99 - 2 - Peak 2343 from cnoeabs.peaks (1.31, 3.03, 43.51 ppm; 3.30 A): 4 out of 14 assignments used, quality = 1.00: * HG2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.0=100 HG2 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HD2 ARG 54 OK 59 92 - 64 - 3.1/4573=10, 3.0/4513=8...(26) HB2 LEU 51 + HD3 ARG 54 OK 59 92 - 64 - 3.1/4573=10, 3.0/4513=8...(26) HG3 LYS 32 - HD2 ARG 54 OK 19 78 - 25 - 1598/3.0=3, 2319/3.6=2...(8) HG3 LYS 32 - HD3 ARG 54 OK 19 78 - 25 - 1598/3.0=3, 2319/3.6=2...(8) HG2 LYS 32 - HD2 ARG 54 OK 17 76 - 23 - 2319/3.6=2, 2.9/5887=2...(8) HG2 LYS 32 - HD3 ARG 54 OK 17 76 - 23 - 2319/3.6=2, 2.9/5887=2...(8) HB2 LEU 52 - HD2 ARG 54 poor 7 60 - 13 - 2319/3.6=1, 2303/5.4=1...(5) HB2 LEU 52 - HD3 ARG 54 poor 7 60 - 12 - 2319/3.6=1, 2303/5.4=1...(5) QG2 THR 58 - HD2 ARG 54 lone 5 99 - 5 - QG2 THR 58 - HD3 ARG 54 lone 5 99 - 5 - QB ALA 12 - HD2 ARG 54 lone 1 68 - 1 - QB ALA 12 - HD3 ARG 54 lone 1 68 - 1 - Peak 2344 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.14 A): 4 out of 26 assignments used, quality = 1.00: * HG3 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.0=100 HB3 ARG 54 + HD2 ARG 54 OK 51 63 - 81 - 3.6=64, 3.0/2305=6...(20) HB3 ARG 54 + HD3 ARG 54 OK 51 63 - 81 - 3.6=64, 3.0/2305=6...(20) HB3 LEU 51 - HD2 ARG 54 OK 44 76 - 58 - 3.1/4573=9, 3.0/4513=8...(25) HB3 LEU 51 - HD3 ARG 54 OK 44 76 - 58 - 3.1/4573=9, 3.0/4513=7...(25) HB3 LEU 62 - HD2 ARG 54 OK 23 96 - 24 - 2328/3.0=2, 3.0/2337=2...(7) HB3 LEU 62 - HD3 ARG 54 OK 23 96 - 24 - 2328/3.0=2, 3.0/2338=2...(7) HG LEU 62 - HD2 ARG 54 OK 21 97 - 22 - 2337=3, 2338/1.8=2...(5) HG LEU 62 - HD3 ARG 54 OK 21 97 - 22 - 2338=3, 2337/1.8=2...(5) HD3 LYS 39 - HD2 ARG 54 OK 14 99 - 14 - 2328/3.0=2, 1896/3.6=1 HD3 LYS 39 - HD3 ARG 54 OK 14 99 - 14 - 2328/3.0=2, 1896/3.6=1 HD2 LYS 39 - HD2 ARG 54 OK 13 99 - 14 - 2328/3.0=1, 1896/3.6=1 HD2 LYS 39 - HD3 ARG 54 OK 13 99 - 14 - 2328/3.0=1, 1896/3.6=1 HG2 LYS 39 - HD2 ARG 54 poor 10 63 - 15 - 1869/3.0=1, 2326/3.0=1 HG2 LYS 39 - HD3 ARG 54 poor 9 63 - 15 - 1869/3.0=1, 2326/3.0=1 HG LEU 86 - HD2 ARG 54 lone 4 78 - 5 - HG LEU 86 - HD3 ARG 54 lone 4 78 - 5 - HB3 LEU 86 - HD2 ARG 54 lone 4 95 - 4 - HB3 LEU 86 - HD3 ARG 54 lone 4 94 - 4 - HG3 ARG 84 - HD2 ARG 54 lone 4 89 - 4 - HG2 ARG 84 - HD2 ARG 54 lone 4 89 - 4 - HG2 ARG 84 - HD3 ARG 54 lone 4 89 - 4 - HG3 ARG 84 - HD3 ARG 54 lone 4 89 - 4 - HB3 LEU 29 - HD2 ARG 54 lone 3 100 - 3 - HB3 LEU 29 - HD3 ARG 54 lone 3 100 - 3 - Peak 2345 from cnoeabs.peaks (3.03, 3.03, 43.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 HD3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 Peak 2346 from cnoeabs.peaks (3.03, 3.03, 43.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 HD2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 Reference assignment not found: HD3 ARG 54 - HD2 ARG 54 Peak 2347 from cnoeabs.peaks (7.53, 3.03, 43.51 ppm; 4.72 A): 4 out of 8 assignments used, quality = 1.00: H ARG 54 + HD2 ARG 54 OK 92 100 - 92 - 6.4=41, 680/1.8=18...(20) * H ARG 54 + HD3 ARG 54 OK 92 100 - 92 - 6.4=41, 680/1.8=18...(20) H LEU 51 + HD2 ARG 54 OK 81 100 - 81 - 3.0/4513=17, 2323/3.0=15...(17) H LEU 51 + HD3 ARG 54 OK 81 100 - 81 - 3.0/4513=17, 2323/3.0=15...(17) H LEU 43 - HD3 ARG 54 OK 17 97 - 18 - 2323/3.0=4, 2315/3.6=3...(6) H LEU 43 - HD2 ARG 54 OK 17 97 - 18 - 2323/3.0=4, 2315/3.6=3...(6) HD21 ASN 80 - HD3 ARG 54 OK 12 92 - 12 - 2323/3.0=2, 2315/3.6=2...(6) HD21 ASN 80 - HD2 ARG 54 OK 12 92 - 12 - 2323/3.0=2, 2315/3.6=2...(6) Peak 2348 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.20 A): 2 out of 8 assignments used, quality = 0.99: * HA ARG 54 + HD3 ARG 54 OK 91 100 - 91 - 5.4=48, 2324/3.0=21...(28) HA ARG 54 + HD2 ARG 54 OK 91 100 - 91 - 5.4=48, 2324/3.0=21...(28) HB2 SER 22 - HD3 ARG 54 OK 41 100 - 41 - 2324/3.0=8, 2316/3.6=7...(11) HB2 SER 22 - HD2 ARG 54 OK 41 100 - 41 - 2324/3.0=8, 2316/3.6=7...(11) HA PHE 48 - HD2 ARG 54 OK 20 81 - 25 - 4466/3.0=5, 2316/3.6=3...(8) HA PHE 48 - HD3 ARG 54 OK 20 81 - 25 - 4466/3.0=5, 2316/3.6=3...(8) HA ARG 70 - HD3 ARG 54 OK 10 99 - 10 - 2324/3.0=2, 2316/3.6=2...(4) HA ARG 70 - HD2 ARG 54 OK 10 99 - 10 - 2324/3.0=2, 2316/3.6=2...(4) Peak 2349 from cnoeabs.peaks (1.76, 3.03, 43.51 ppm; 3.65 A): 2 out of 34 assignments used, quality = 1.00: * HB2 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.6=100 HB2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.6=100 HB3 LYS 32 - HD3 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LYS 32 - HD3 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LYS 32 - HD2 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB3 LYS 32 - HD2 ARG 54 OK 36 99 - 37 - 2325/3.0=3, 2317/3.6=3...(15) HB2 LEU 62 - HD3 ARG 54 OK 27 85 - 32 - 2325/3.0=3, 2575/3.0=2...(16) HB2 LEU 62 - HD2 ARG 54 OK 27 85 - 32 - 2325/3.0=3, 2575/3.0=2...(16) HB3 LYS 39 - HD3 ARG 54 OK 25 89 - 29 - 2317/3.6=3, 2325/3.0=3...(13) HB3 LYS 39 - HD2 ARG 54 OK 25 89 - 29 - 2317/3.6=3, 2325/3.0=3...(13) HG2 PRO 34 - HD2 ARG 54 OK 18 99 - 18 - 4246/5363=2, 2325/3.0=2...(5) HG2 PRO 34 - HD3 ARG 54 OK 18 99 - 18 - 4246/5363=2, 2325/3.0=2...(5) HB3 ARG 82 - HD3 ARG 54 OK 16 100 - 16 - 4.0/5914=2, 5887/1.8=2...(7) HB3 ARG 82 - HD2 ARG 54 OK 15 100 - 15 - 4.0/5914=2, 3.0/5886=2...(7) HB ILE 33 - HD2 ARG 54 OK 15 100 - 15 - 4219/3.0=2, 3.0/4571=2...(5) HB ILE 33 - HD3 ARG 54 OK 15 100 - 15 - 4219/3.0=2, 3.0/4571=2...(5) HB2 LEU 57 - HD2 ARG 54 OK 13 100 - 13 - 4982/3.0=3, 4982/3.6=2...(4) HB2 LEU 57 - HD3 ARG 54 OK 13 100 - 13 - 4982/3.0=3, 4982/3.6=2...(4) HB2 PRO 34 - HD2 ARG 54 OK 12 93 - 13 - 2325/3.0=2, 2317/3.6=1...(5) HB2 PRO 34 - HD3 ARG 54 OK 12 93 - 13 - 2325/3.0=2, 2317/3.6=1...(5) HB3 LYS 73 - HD2 ARG 54 lone 5 96 - 5 - HB3 LYS 73 - HD3 ARG 54 lone 5 96 - 5 - HB3 LYS 75 - HD3 ARG 54 lone 3 78 - 3 - HB3 LYS 75 - HD2 ARG 54 lone 3 78 - 3 - HG3 ARG 71 - HD2 ARG 54 lone 2 93 - 2 - HG3 ARG 71 - HD3 ARG 54 lone 2 93 - 2 - HB3 ARG 17 - HD3 ARG 54 lone 1 78 - 2 - HB3 ARG 17 - HD2 ARG 54 lone 1 78 - 2 - HB2 LYS 83 - HD3 ARG 54 lone 1 90 - 1 - HB2 LYS 83 - HD2 ARG 54 lone 1 90 - 1 - HB2 LYS 13 - HD3 ARG 54 lone 1 73 - 2 - HB2 LYS 13 - HD2 ARG 54 lone 1 73 - 2 - HG3 ARG 26 - HD3 ARG 54 lone 1 89 - 1 - HG3 ARG 26 - HD2 ARG 54 lone 1 89 - 1 - Peak 2350 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 16 assignments used, quality = 1.00: HB3 ARG 54 + HD2 ARG 54 OK 87 100 - 87 - 3.6=71, 2326/3.0=12...(21) * HB3 ARG 54 + HD3 ARG 54 OK 87 100 - 87 - 3.6=71, 2326/3.0=12...(21) HG3 ARG 54 + HD3 ARG 54 OK 63 63 - 100 - 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 63 63 - 100 - 3.0=100 HG2 LYS 39 - HD2 ARG 54 OK 23 100 - 23 - 2326/3.0=3, 2310/3.6=3...(6) HG2 LYS 39 - HD3 ARG 54 OK 23 100 - 23 - 2326/3.0=3, 2310/3.6=3...(6) HG LEU 62 - HD3 ARG 54 OK 19 87 - 22 - 2326/3.0=3, 2338=2...(5) HG LEU 62 - HD2 ARG 54 OK 19 87 - 22 - 2326/3.0=3, 2337=2...(5) HG2 ARG 82 - HD3 ARG 54 lone 7 83 - 9 - 5.0/5914=1, 3.8/5886=1 HG2 ARG 82 - HD2 ARG 54 lone 7 83 - 9 - 5.0/5914=1, 3.8/5886=1 HB3 LEU 86 - HD3 ARG 54 lone 5 92 - 5 - HB3 LEU 86 - HD2 ARG 54 lone 5 92 - 5 - HG LEU 64 - HD2 ARG 54 lone 3 99 - 3 - HG LEU 64 - HD3 ARG 54 lone 3 99 - 3 - HG3 ARG 23 - HD3 ARG 54 lone 2 99 - 2 - HG3 ARG 23 - HD2 ARG 54 lone 2 99 - 2 - Peak 2351 from cnoeabs.peaks (1.31, 3.03, 43.51 ppm; 3.30 A): 4 out of 14 assignments used, quality = 1.00: * HG2 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.0=100 HG2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.0=100 HB2 LEU 51 + HD3 ARG 54 OK 59 92 - 64 - 3.1/4573=10, 3.0/4513=8...(26) HB2 LEU 51 + HD2 ARG 54 OK 59 92 - 64 - 3.1/4573=10, 3.0/4513=8...(26) HG3 LYS 32 - HD2 ARG 54 OK 19 78 - 25 - 1598/3.0=3, 2319/3.6=2...(8) HG3 LYS 32 - HD3 ARG 54 OK 19 78 - 25 - 1598/3.0=3, 2319/3.6=2...(8) HG2 LYS 32 - HD2 ARG 54 OK 17 76 - 23 - 2319/3.6=2, 2.9/5887=2...(8) HG2 LYS 32 - HD3 ARG 54 OK 17 76 - 23 - 2319/3.6=2, 2.9/5887=2...(8) HB2 LEU 52 - HD2 ARG 54 poor 7 60 - 12 - 2319/3.6=1, 2303/5.4=1...(5) HB2 LEU 52 - HD3 ARG 54 poor 7 60 - 12 - 2319/3.6=1, 2303/5.4=1...(5) QG2 THR 58 - HD2 ARG 54 lone 5 99 - 5 - QG2 THR 58 - HD3 ARG 54 lone 5 99 - 5 - QB ALA 12 - HD3 ARG 54 lone 1 68 - 1 - QB ALA 12 - HD2 ARG 54 lone 1 68 - 1 - Peak 2352 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.14 A): 4 out of 26 assignments used, quality = 1.00: * HG3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 - 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 100 100 - 100 - 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 51 63 - 81 - 3.6=64, 3.0/2305=6...(20) HB3 ARG 54 + HD2 ARG 54 OK 51 63 - 81 - 3.6=64, 3.0/2305=6...(20) HB3 LEU 51 - HD3 ARG 54 OK 44 76 - 58 - 3.1/4573=9, 3.0/4513=7...(25) HB3 LEU 51 - HD2 ARG 54 OK 44 76 - 58 - 3.1/4573=9, 3.0/4513=7...(25) HB3 LEU 62 - HD3 ARG 54 OK 23 96 - 24 - 2328/3.0=2, 3.0/2338=2...(7) HB3 LEU 62 - HD2 ARG 54 OK 23 96 - 24 - 2328/3.0=2, 3.0/2337=2...(7) HG LEU 62 - HD3 ARG 54 OK 21 97 - 22 - 2338=3, 2337/1.8=2...(5) HG LEU 62 - HD2 ARG 54 OK 21 97 - 22 - 2337=3, 2338/1.8=2...(5) HD3 LYS 39 - HD2 ARG 54 OK 14 99 - 14 - 2328/3.0=2, 1896/3.6=1 HD3 LYS 39 - HD3 ARG 54 OK 14 99 - 14 - 2328/3.0=2, 1896/3.6=1 HD2 LYS 39 - HD2 ARG 54 OK 13 99 - 14 - 2328/3.0=1, 1896/3.6=1 HD2 LYS 39 - HD3 ARG 54 OK 13 99 - 14 - 2328/3.0=1, 1896/3.6=1 HG2 LYS 39 - HD3 ARG 54 poor 10 63 - 15 - 1869/3.0=1, 2326/3.0=1 HG2 LYS 39 - HD2 ARG 54 poor 9 63 - 15 - 1869/3.0=1, 2326/3.0=1 HG LEU 86 - HD3 ARG 54 lone 4 78 - 5 - HG LEU 86 - HD2 ARG 54 lone 4 78 - 5 - HB3 LEU 86 - HD3 ARG 54 lone 4 95 - 4 - HB3 LEU 86 - HD2 ARG 54 lone 4 94 - 4 - HG3 ARG 84 - HD2 ARG 54 lone 4 89 - 4 - HG2 ARG 84 - HD2 ARG 54 lone 4 89 - 4 - HG2 ARG 84 - HD3 ARG 54 lone 4 89 - 4 - HG3 ARG 84 - HD3 ARG 54 lone 4 89 - 4 - HB3 LEU 29 - HD2 ARG 54 lone 3 100 - 3 - HB3 LEU 29 - HD3 ARG 54 lone 3 100 - 3 - Peak 2353 from cnoeabs.peaks (3.03, 3.03, 43.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 HD2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 Reference assignment not found: HD2 ARG 54 - HD3 ARG 54 Peak 2354 from cnoeabs.peaks (3.03, 3.03, 43.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + HD3 ARG 54 OK 100 100 - 100 HD2 ARG 54 + HD2 ARG 54 OK 100 100 - 100 Peak 2355 from cnoeabs.peaks (7.69, 4.90, 55.12 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 55 + HA TYR 55 OK 100 100 - 100 - 3.0=100 H GLN 61 - HA TYR 55 OK 26 99 - 26 - 4627/3.7=6, 2361/3.0=6...(8) H MET 31 - HA TYR 55 OK 12 89 - 13 - 2367/3.0=3, 2361/3.0=3...(6) H ASN 42 - HA TYR 55 lone 6 63 - 9 - 2367/3.0=2, 2361/3.0=1...(7) Peak 2356 from cnoeabs.peaks (4.90, 4.90, 55.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + HA TYR 55 OK 100 100 - 100 Peak 2357 from cnoeabs.peaks (2.80, 4.90, 55.12 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 55 + HA TYR 55 OK 100 100 - 100 - 3.0=100 HB2 ASN 74 - HA TYR 55 OK 20 97 - 21 - 2369/3.0=4, 684/3.0=4...(9) HB3 ASN 74 - HA TYR 55 OK 15 83 - 17 - 2369/3.0=3, 684/3.0=3...(6) Peak 2358 from cnoeabs.peaks (2.94, 4.90, 55.12 ppm; 3.51 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 55 + HA TYR 55 OK 100 100 - 100 - 3.0=100 HB3 PHE 35 - HA TYR 55 OK 22 60 - 36 - ~5716=10, ~5715=8...(9) HE2 LYS 32 - HA TYR 55 poor 10 93 - 10 - 685/3.0=2, 4557/3.7=2...(4) HE3 LYS 32 - HA TYR 55 poor 9 92 - 10 - 685/3.0=2, 4557/3.7=2...(4) HE3 LYS 73 - HA TYR 55 lone 6 95 - 6 - 685/3.0=1 HE2 LYS 73 - HA TYR 55 lone 6 93 - 6 - 685/3.0=1 HE3 LYS 75 - HA TYR 55 lone 4 81 - 5 - HE2 LYS 75 - HA TYR 55 lone 4 78 - 5 - HE3 LYS 13 - HA TYR 55 lone 1 65 - 2 - HE2 LYS 13 - HA TYR 55 lone 1 63 - 2 - Peak 2360 from cnoeabs.peaks (7.34, 4.90, 55.12 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + HA TYR 55 OK 100 100 - 100 - 3.7=100 Peak 2361 from cnoeabs.peaks (7.69, 2.80, 40.22 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 55 + HB2 TYR 55 OK 100 100 - 100 - 3.8=100 H GLN 61 - HB2 TYR 55 OK 30 99 - 31 - 4627/2.5=8, 2367/1.8=7...(11) H MET 31 - HB2 TYR 55 OK 14 89 - 16 - 2367/1.8=3, 4627/2.5=3...(4) H ASN 42 - HB2 TYR 55 poor 7 63 - 11 - 2367/1.8=2, 2373/2.5=1...(6) Peak 2362 from cnoeabs.peaks (4.90, 2.80, 40.22 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + HB2 TYR 55 OK 100 100 - 100 - 3.0=100 Peak 2363 from cnoeabs.peaks (2.80, 2.80, 40.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 55 + HB2 TYR 55 OK 100 100 - 100 Peak 2364 from cnoeabs.peaks (2.94, 2.80, 40.22 ppm; 3.00 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 55 + HB2 TYR 55 OK 100 100 - 100 - 1.8=100 HB3 PHE 35 - HB2 TYR 55 OK 30 60 - 51 - ~5716=10, ~4601=9...(13) HE2 LYS 32 - HB2 TYR 55 poor 10 93 - 11 - 4557/2.5=2, 685/3.8=1...(5) HE3 LYS 32 - HB2 TYR 55 poor 10 92 - 10 - 4557/2.5=2, 685/3.8=1...(5) HE3 LYS 73 - HB2 TYR 55 lone 5 95 - 5 - HE2 LYS 73 - HB2 TYR 55 lone 5 93 - 5 - HE3 LYS 75 - HB2 TYR 55 lone 4 81 - 4 - HE2 LYS 75 - HB2 TYR 55 lone 3 78 - 4 - HE3 LYS 13 - HB2 TYR 55 lone 1 65 - 2 - HE2 LYS 13 - HB2 TYR 55 lone 1 63 - 2 - Peak 2366 from cnoeabs.peaks (7.34, 2.80, 40.22 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + HB2 TYR 55 OK 100 100 - 100 - 2.5=100 Peak 2367 from cnoeabs.peaks (7.69, 2.94, 40.22 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 55 + HB3 TYR 55 OK 100 100 - 100 - 3.8=100 H GLN 61 - HB3 TYR 55 OK 31 99 - 31 - 4627/2.5=9, 2361/1.8=8...(9) H MET 31 - HB3 TYR 55 OK 15 89 - 17 - 2361/1.8=4, 4.0/4588=4...(4) H ASN 42 - HB3 TYR 55 poor 9 63 - 14 - 4.4/4588=3, 2361/1.8=2...(7) Peak 2368 from cnoeabs.peaks (4.90, 2.94, 40.22 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + HB3 TYR 55 OK 100 100 - 100 - 3.0=100 Peak 2369 from cnoeabs.peaks (2.80, 2.94, 40.22 ppm; 3.04 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 55 + HB3 TYR 55 OK 100 100 - 100 - 1.8=100 HB2 ASN 74 - HB3 TYR 55 OK 17 97 - 18 - 4556/2.5=4, 2357/3.0=3...(7) HB3 ASN 74 - HB3 TYR 55 OK 13 83 - 15 - 4556/2.5=3, ~2375=2...(7) Peak 2370 from cnoeabs.peaks (2.94, 2.94, 40.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 55 + HB3 TYR 55 OK 100 100 - 100 Peak 2371 from cnoeabs.peaks (6.81, 2.94, 40.22 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 55 + HB3 TYR 55 OK 100 100 - 100 - 4.4=100 HE22 GLN 61 - HB3 TYR 55 OK 39 92 - 42 - 2377/2.5=12, 5714/1.8=12...(9) QE TYR 81 - HB3 TYR 55 OK 14 60 - 22 - 2377/2.5=5, 5713/3.8=4...(7) Peak 2372 from cnoeabs.peaks (7.34, 2.94, 40.22 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + HB3 TYR 55 OK 100 100 - 100 - 2.5=100 Peak 2373 from cnoeabs.peaks (7.69, 7.34, 134.10 ppm; 5.24 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 55 + QD TYR 55 OK 100 100 - 100 - 4.4=100 H GLN 61 + QD TYR 55 OK 55 99 - 56 - 2361/2.5=9, 2367/2.5=9...(17) H MET 31 - QD TYR 55 OK 24 89 - 27 - 2367/2.5=5, 2361/2.5=4...(11) H ASN 42 - QD TYR 55 OK 13 63 - 20 - 2367/2.5=3, 2361/2.5=2...(8) Peak 2374 from cnoeabs.peaks (4.90, 7.34, 134.10 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + QD TYR 55 OK 100 100 - 100 - 3.7=100 Peak 2375 from cnoeabs.peaks (2.80, 7.34, 134.10 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.5=100 HB2 ASN 74 - QD TYR 55 OK 36 97 - 37 - 2369/2.5=7, 5722/2.2=6...(14) HB3 ASN 74 - QD TYR 55 OK 27 83 - 32 - ~2369=5, 2369/2.5=5...(12) Peak 2376 from cnoeabs.peaks (2.94, 7.34, 134.10 ppm; 4.73 A): 2 out of 10 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.5=100 HB3 PHE 35 + QD TYR 55 OK 55 60 - 92 - 2.6/4629=43, 4.5/4658=28...(22) HE2 LYS 32 - QD TYR 55 OK 31 93 - 33 - 4.6/4247=3, 4.6/4247=3...(14) HE3 LYS 32 - QD TYR 55 OK 30 92 - 33 - 4.6/4247=3, 4.6/4247=3...(14) HE3 LYS 73 - QD TYR 55 OK 13 94 - 14 - 2364/2.5=2, 685/4.4=1...(6) HE2 LYS 73 - QD TYR 55 OK 13 93 - 14 - 2364/2.5=2, 685/4.4=1...(6) HE3 LYS 75 - QD TYR 55 OK 10 81 - 13 - 5.0/4666=1, 685/4.4=1...(4) HE2 LYS 75 - QD TYR 55 poor 10 78 - 12 - 5.0/4666=1, 685/4.4=1 HE3 LYS 13 - QD TYR 55 lone 3 65 - 5 - HE2 LYS 13 - QD TYR 55 lone 3 63 - 4 - Peak 2377 from cnoeabs.peaks (6.81, 7.34, 134.10 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.2=100 HE22 GLN 61 - QD TYR 55 OK 40 92 - 43 - 5714/2.5=6, 2371/2.5=5...(17) QE TYR 81 - QD TYR 55 OK 18 60 - 29 - 5711=4, ~6000=3...(15) Peak 2378 from cnoeabs.peaks (7.34, 7.34, 134.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + QD TYR 55 OK 100 100 - 100 Peak 2379 from cnoeabs.peaks (4.67, 3.70, 50.06 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.6=100 HA PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.6=100 HA ASN 42 - HD2 PRO 56 OK 29 99 - 29 - 2414/2.3=8, 2400/3.0=7...(6) HA ASN 42 - HD3 PRO 56 OK 29 99 - 29 - 2414/2.3=8, 2400/3.0=7...(6) Peak 2380 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 6 out of 18 assignments used, quality = 1.00: HB2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 * HB2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD3 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HB3 PRO 44 + HD2 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HG2 PRO 36 - HD2 PRO 56 OK 27 100 - 27 - 2418/2.3=2, 2427=2...(9) HG2 PRO 36 - HD3 PRO 56 OK 27 100 - 27 - 2418/2.3=2, 2426=2...(9) HG3 PRO 36 - HD2 PRO 56 OK 27 99 - 27 - 2418/2.3=2, 2427=2...(9) HG3 PRO 36 - HD3 PRO 56 OK 27 99 - 27 - 2418/2.3=2, 2427=2...(9) HB VAL 45 - HD2 PRO 56 OK 26 76 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD3 PRO 56 OK 26 76 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB2 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB3 MET 31 - HD3 PRO 56 lone 3 87 - 3 - HB3 MET 31 - HD2 PRO 56 lone 3 87 - 3 - Peak 2381 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.11 A): 6 out of 32 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HB3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 44 + HD2 PRO 56 OK 54 90 - 60 - 2403/3.0=4, 2.3/2050=4...(39) HG2 PRO 44 + HD3 PRO 56 OK 54 90 - 60 - 2403/3.0=4, 2.3/2050=4...(39) HB2 GLU 25 - HD3 PRO 56 lone 4 78 - 5 - HB2 GLU 25 - HD2 PRO 56 lone 4 78 - 5 - HB3 GLU 25 - HD2 PRO 56 lone 4 76 - 5 - HB3 GLU 25 - HD3 PRO 56 lone 4 76 - 5 - HD2 ARG 69 - HD3 PRO 56 lone 2 100 - 2 - HD2 ARG 69 - HD2 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD3 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD2 PRO 56 lone 2 100 - 2 - HB3 GLU 50 - HD3 PRO 56 lone 2 98 - 2 - HB3 GLU 50 - HD2 PRO 56 lone 2 98 - 2 - HB2 GLU 50 - HD2 PRO 56 lone 2 98 - 2 - HB2 GLU 50 - HD3 PRO 56 lone 2 98 - 2 - HB2 GLU 87 - HD3 PRO 56 lone 1 100 - 1 - HB2 GLU 87 - HD2 PRO 56 lone 1 100 - 1 - HB VAL 76 - HD3 PRO 56 lone 1 95 - 1 - HB VAL 76 - HD2 PRO 56 lone 1 95 - 1 - HB VAL 90 - HD3 PRO 56 lone 1 95 - 1 - HB VAL 90 - HD2 PRO 56 lone 1 95 - 1 - HB3 GLU 19 - HD2 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HD3 PRO 56 lone 1 99 - 1 - HB3 GLN 91 - HD3 PRO 56 lone 1 98 - 1 - HB3 GLN 91 - HD2 PRO 56 lone 1 98 - 1 - HG2 ARG 66 - HD2 PRO 56 lone 1 81 - 1 - HG2 ARG 66 - HD3 PRO 56 lone 1 81 - 1 - HB3 MET 11 - HD2 PRO 56 lone 0 71 - 1 - HB3 MET 11 - HD3 PRO 56 lone 0 71 - 1 - Peak 2382 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.11 A): 6 out of 32 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 - 100 - 3.0=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 - 100 - 3.0=100 HG2 PRO 44 + HD2 PRO 56 OK 59 97 - 60 - 2403/3.0=5, 2.3/2050=4...(39) HG2 PRO 44 + HD3 PRO 56 OK 59 97 - 60 - 2403/3.0=5, 2.3/2050=4...(39) HB VAL 45 - HD3 PRO 56 OK 22 63 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD2 PRO 56 OK 22 63 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 25 - HD2 PRO 56 lone 5 90 - 5 - HB2 GLU 25 - HD3 PRO 56 lone 5 90 - 5 - HB3 GLU 25 - HD3 PRO 56 lone 5 89 - 5 - HB3 GLU 25 - HD2 PRO 56 lone 5 89 - 5 - HB3 GLU 50 - HD3 PRO 56 lone 2 100 - 2 - HB2 GLU 50 - HD2 PRO 56 lone 2 100 - 2 - HB2 GLU 50 - HD3 PRO 56 lone 2 100 - 2 - HB3 GLU 50 - HD2 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD3 PRO 56 lone 2 99 - 2 - HD3 ARG 69 - HD2 PRO 56 lone 2 99 - 2 - HD2 ARG 69 - HD3 PRO 56 lone 2 99 - 2 - HD2 ARG 69 - HD2 PRO 56 lone 2 99 - 2 - HB2 GLU 87 - HD3 PRO 56 lone 1 99 - 1 - HB2 GLU 87 - HD2 PRO 56 lone 1 99 - 1 - HB VAL 76 - HD3 PRO 56 lone 1 99 - 1 - HB VAL 76 - HD2 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HD2 PRO 56 lone 1 100 - 1 - HB3 GLU 19 - HD3 PRO 56 lone 1 100 - 1 - HB3 GLN 91 - HD2 PRO 56 lone 1 100 - 1 - HB3 GLN 91 - HD3 PRO 56 lone 1 100 - 1 - HB VAL 90 - HD3 PRO 56 lone 1 85 - 1 - HB VAL 90 - HD2 PRO 56 lone 1 85 - 1 - HG2 ARG 66 - HD2 PRO 56 lone 0 65 - 1 - HG2 ARG 66 - HD3 PRO 56 lone 0 65 - 1 - Peak 2383 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 6 out of 18 assignments used, quality = 1.00: * HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 + HD3 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HB3 PRO 44 + HD2 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HG2 PRO 36 - HD2 PRO 56 OK 28 100 - 27 - 2418/2.3=2, 2427=2...(9) HG2 PRO 36 - HD3 PRO 56 OK 28 100 - 27 - 2418/2.3=2, 2426=2...(9) HG3 PRO 36 - HD2 PRO 56 OK 28 100 - 28 - 2418/2.3=2, 2427=2...(9) HG3 PRO 36 - HD3 PRO 56 OK 28 100 - 28 - 2418/2.3=2, 2427=2...(9) HB VAL 45 - HD2 PRO 56 OK 24 71 - 34 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD3 PRO 56 OK 24 71 - 34 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB2 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB3 MET 31 - HD3 PRO 56 lone 3 83 - 3 - HB3 MET 31 - HD2 PRO 56 lone 3 83 - 3 - Peak 2384 from cnoeabs.peaks (3.70, 3.70, 50.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 Peak 2385 from cnoeabs.peaks (3.70, 3.70, 50.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 2386 from cnoeabs.peaks (4.67, 3.70, 50.06 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.6=100 * HA PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.6=100 HA ASN 42 - HD2 PRO 56 OK 29 99 - 29 - 2414/2.3=8, 2400/3.0=7...(6) HA ASN 42 - HD3 PRO 56 OK 29 99 - 29 - 2414/2.3=8, 2400/3.0=7...(6) Peak 2387 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 6 out of 18 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 + HD3 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HB3 PRO 44 + HD2 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HG2 PRO 36 - HD2 PRO 56 OK 27 100 - 27 - 2418/2.3=2, 2427=2...(9) HG2 PRO 36 - HD3 PRO 56 OK 27 100 - 27 - 2418/2.3=2, 2426=2...(9) HG3 PRO 36 - HD2 PRO 56 OK 27 99 - 27 - 2418/2.3=2, 2427=2...(9) HG3 PRO 36 - HD3 PRO 56 OK 27 99 - 27 - 2418/2.3=2, 2427=2...(9) HB VAL 45 - HD2 PRO 56 OK 26 76 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD3 PRO 56 OK 26 76 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB2 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB3 MET 31 - HD3 PRO 56 lone 3 87 - 3 - HB3 MET 31 - HD2 PRO 56 lone 3 87 - 3 - Peak 2388 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.11 A): 6 out of 32 assignments used, quality = 1.00: HB3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 * HB3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 44 + HD2 PRO 56 OK 54 90 - 60 - 2403/3.0=4, 2.3/2050=4...(39) HG2 PRO 44 + HD3 PRO 56 OK 54 90 - 60 - 2403/3.0=4, 2.3/2050=4...(39) HB2 GLU 25 - HD3 PRO 56 lone 4 78 - 5 - HB2 GLU 25 - HD2 PRO 56 lone 4 78 - 5 - HB3 GLU 25 - HD2 PRO 56 lone 4 76 - 5 - HB3 GLU 25 - HD3 PRO 56 lone 4 76 - 5 - HD2 ARG 69 - HD3 PRO 56 lone 2 100 - 2 - HD2 ARG 69 - HD2 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD3 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD2 PRO 56 lone 2 100 - 2 - HB3 GLU 50 - HD3 PRO 56 lone 2 98 - 2 - HB3 GLU 50 - HD2 PRO 56 lone 2 98 - 2 - HB2 GLU 50 - HD2 PRO 56 lone 2 98 - 2 - HB2 GLU 50 - HD3 PRO 56 lone 2 98 - 2 - HB2 GLU 87 - HD3 PRO 56 lone 1 100 - 1 - HB2 GLU 87 - HD2 PRO 56 lone 1 100 - 1 - HB VAL 76 - HD3 PRO 56 lone 1 95 - 1 - HB VAL 76 - HD2 PRO 56 lone 1 95 - 1 - HB VAL 90 - HD3 PRO 56 lone 1 95 - 1 - HB VAL 90 - HD2 PRO 56 lone 1 95 - 1 - HB3 GLU 19 - HD2 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HD3 PRO 56 lone 1 99 - 1 - HB3 GLN 91 - HD3 PRO 56 lone 1 98 - 1 - HB3 GLN 91 - HD2 PRO 56 lone 1 98 - 1 - HG2 ARG 66 - HD2 PRO 56 lone 1 81 - 1 - HG2 ARG 66 - HD3 PRO 56 lone 1 81 - 1 - HB3 MET 11 - HD2 PRO 56 lone 0 71 - 1 - HB3 MET 11 - HD3 PRO 56 lone 0 71 - 1 - Peak 2389 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.11 A): 6 out of 32 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 * HG2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 99 99 - 100 - 3.0=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 - 100 - 3.0=100 HG2 PRO 44 + HD2 PRO 56 OK 59 97 - 60 - 2403/3.0=5, 2.3/2050=4...(39) HG2 PRO 44 + HD3 PRO 56 OK 59 97 - 60 - 2403/3.0=5, 2.3/2050=4...(39) HB VAL 45 - HD3 PRO 56 OK 22 63 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD2 PRO 56 OK 22 63 - 35 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 25 - HD2 PRO 56 lone 5 90 - 5 - HB2 GLU 25 - HD3 PRO 56 lone 5 90 - 5 - HB3 GLU 25 - HD3 PRO 56 lone 5 89 - 5 - HB3 GLU 25 - HD2 PRO 56 lone 5 89 - 5 - HB3 GLU 50 - HD3 PRO 56 lone 2 100 - 2 - HB2 GLU 50 - HD2 PRO 56 lone 2 100 - 2 - HB2 GLU 50 - HD3 PRO 56 lone 2 100 - 2 - HB3 GLU 50 - HD2 PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HD3 PRO 56 lone 2 99 - 2 - HD3 ARG 69 - HD2 PRO 56 lone 2 99 - 2 - HD2 ARG 69 - HD3 PRO 56 lone 2 99 - 2 - HD2 ARG 69 - HD2 PRO 56 lone 2 99 - 2 - HB2 GLU 87 - HD3 PRO 56 lone 1 99 - 1 - HB2 GLU 87 - HD2 PRO 56 lone 1 99 - 1 - HB VAL 76 - HD3 PRO 56 lone 1 99 - 1 - HB VAL 76 - HD2 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HD2 PRO 56 lone 1 100 - 1 - HB3 GLU 19 - HD3 PRO 56 lone 1 100 - 1 - HB3 GLN 91 - HD2 PRO 56 lone 1 100 - 1 - HB3 GLN 91 - HD3 PRO 56 lone 1 100 - 1 - HB VAL 90 - HD3 PRO 56 lone 1 85 - 1 - HB VAL 90 - HD2 PRO 56 lone 1 85 - 1 - HG2 ARG 66 - HD2 PRO 56 lone 0 65 - 1 - HG2 ARG 66 - HD3 PRO 56 lone 0 65 - 1 - Peak 2390 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 6 out of 18 assignments used, quality = 1.00: HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 * HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HB2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 + HD3 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HB3 PRO 44 + HD2 PRO 56 OK 59 100 - 59 - 2075/2.3=6, 2075/3.0=4...(41) HG2 PRO 36 - HD2 PRO 56 OK 28 100 - 27 - 2418/2.3=2, 2427=2...(9) HG2 PRO 36 - HD3 PRO 56 OK 28 100 - 27 - 2418/2.3=2, 2426=2...(9) HG3 PRO 36 - HD2 PRO 56 OK 28 100 - 28 - 2418/2.3=2, 2427=2...(9) HG3 PRO 36 - HD3 PRO 56 OK 28 100 - 28 - 2418/2.3=2, 2427=2...(9) HB VAL 45 - HD2 PRO 56 OK 24 71 - 34 - 2.1/2104=5, 2.1/2109=5...(13) HB VAL 45 - HD3 PRO 56 OK 24 71 - 34 - 2.1/2104=5, 2.1/2109=5...(13) HB2 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB2 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD3 PRO 56 lone 3 100 - 3 - HB3 GLU 59 - HD2 PRO 56 lone 3 100 - 3 - HB3 MET 31 - HD3 PRO 56 lone 3 83 - 3 - HB3 MET 31 - HD2 PRO 56 lone 3 83 - 3 - Peak 2391 from cnoeabs.peaks (3.70, 3.70, 50.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 2392 from cnoeabs.peaks (3.70, 3.70, 50.06 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 Peak 2393 from cnoeabs.peaks (4.67, 4.67, 61.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 2394 from cnoeabs.peaks (2.09, 4.67, 61.99 ppm; 3.02 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HA PRO 56 OK 58 100 - 58 - 3.8=48, 1.8/2395=9...(4) HB3 PRO 44 - HA PRO 56 OK 39 100 - 39 - 2075/2.3=5, 2.3/2396=5...(23) HG2 PRO 36 - HA PRO 56 OK 19 100 - 19 - 2421=2, 1.8/2421=2...(7) HG3 PRO 36 - HA PRO 56 OK 19 99 - 19 - 2421=2, 1.8/2421=2...(7) HB VAL 45 - HA PRO 56 OK 11 76 - 14 - 2099/3.6=2, 2099/3.6=2...(8) HB3 MET 31 - HA PRO 56 lone 3 87 - 4 - 219/3.5=1 HB3 GLU 59 - HA PRO 56 lone 3 100 - 2 - HB2 GLU 59 - HA PRO 56 lone 3 100 - 2 - Peak 2395 from cnoeabs.peaks (2.03, 4.67, 61.99 ppm; 3.25 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HA PRO 56 OK 69 99 - 69 - 3.8=60, 5292/4.8=9...(4) HG2 PRO 44 - HA PRO 56 OK 39 90 - 43 - 2403/2.3=6, 2.3/2397=5...(21) HB2 GLU 25 - HA PRO 56 lone 4 78 - 5 - HB3 GLU 25 - HA PRO 56 lone 4 76 - 5 - HD2 ARG 69 - HA PRO 56 lone 2 100 - 2 - HD3 ARG 69 - HA PRO 56 lone 2 100 - 2 - HB3 GLU 50 - HA PRO 56 lone 2 98 - 2 - HB2 GLU 50 - HA PRO 56 lone 2 98 - 2 - HB VAL 76 - HA PRO 56 lone 2 95 - 2 - HB2 GLU 87 - HA PRO 56 lone 2 100 - 2 - HB VAL 90 - HA PRO 56 lone 1 95 - 1 - HB3 GLU 19 - HA PRO 56 lone 1 99 - 1 - HB3 GLN 91 - HA PRO 56 lone 1 98 - 1 - HG2 ARG 66 - HA PRO 56 lone 1 81 - 1 - HB3 MET 11 - HA PRO 56 lone 1 71 - 1 - Peak 2396 from cnoeabs.peaks (2.04, 4.67, 61.99 ppm; 3.25 A): 2 out of 16 assignments used, quality = 1.00: HB3 PRO 56 + HA PRO 56 OK 99 99 - 100 - 2.3=100 * HG2 PRO 56 + HA PRO 56 OK 69 100 - 69 - 3.8=60, 5292/4.8=9...(4) HG2 PRO 44 - HA PRO 56 OK 42 97 - 43 - 2403/2.3=6, 2.3/2397=5...(21) HB VAL 45 - HA PRO 56 poor 9 63 - 15 - 2099/3.6=2, 2099/3.6=2...(9) HB2 GLU 25 - HA PRO 56 lone 5 90 - 5 - HB3 GLU 25 - HA PRO 56 lone 5 89 - 5 - HD2 ARG 69 - HA PRO 56 lone 2 99 - 2 - HD3 ARG 69 - HA PRO 56 lone 2 99 - 2 - HB3 GLU 50 - HA PRO 56 lone 2 100 - 2 - HB2 GLU 50 - HA PRO 56 lone 2 100 - 2 - HB VAL 76 - HA PRO 56 lone 2 99 - 2 - HB2 GLU 87 - HA PRO 56 lone 2 99 - 2 - HB VAL 90 - HA PRO 56 lone 1 85 - 1 - HB3 GLU 19 - HA PRO 56 lone 1 100 - 1 - HB3 GLN 91 - HA PRO 56 lone 1 100 - 1 - HG2 ARG 66 - HA PRO 56 lone 1 65 - 1 - Peak 2397 from cnoeabs.peaks (2.09, 4.67, 61.99 ppm; 3.02 A): 2 out of 9 assignments used, quality = 1.00: HB2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 2.3=100 * HG3 PRO 56 + HA PRO 56 OK 58 100 - 58 - 3.8=48, 1.8/2395=9...(4) HB3 PRO 44 - HA PRO 56 OK 39 100 - 39 - 2075/2.3=5, 2.3/2396=5...(23) HG2 PRO 36 - HA PRO 56 OK 19 100 - 19 - 2421=2, 1.8/2421=2...(7) HG3 PRO 36 - HA PRO 56 OK 19 100 - 19 - 2421=2, 1.8/2421=2...(7) HB VAL 45 - HA PRO 56 poor 10 71 - 14 - 2099/3.6=2, 2099/3.6=2...(8) HB3 MET 31 - HA PRO 56 lone 3 83 - 4 - 219/3.5=1 HB3 GLU 59 - HA PRO 56 lone 3 100 - 2 - HB2 GLU 59 - HA PRO 56 lone 3 100 - 2 - Peak 2400 from cnoeabs.peaks (4.67, 2.09, 29.60 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HA ASN 42 - HB2 PRO 56 OK 21 99 - 21 - 2414/2.3=5, 2421/2.3=4...(7) Peak 2401 from cnoeabs.peaks (2.09, 2.09, 29.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Peak 2402 from cnoeabs.peaks (2.03, 2.09, 29.60 ppm; 2.48 A): 2 out of 16 assignments used, quality = 1.00: * HB3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 1.8=100 HG2 PRO 56 + HB2 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 44 - HB2 PRO 56 OK 38 90 - 42 - 1.8/2088=3, 2081=3...(26) HB2 GLU 25 - HB2 PRO 56 lone 3 78 - 3 - HB3 GLU 25 - HB2 PRO 56 lone 3 76 - 3 - HD2 ARG 69 - HB2 PRO 56 lone 1 100 - 1 - HD3 ARG 69 - HB2 PRO 56 lone 1 100 - 1 - HB3 GLU 50 - HB2 PRO 56 lone 1 98 - 1 - HB2 GLU 50 - HB2 PRO 56 lone 1 98 - 1 - HB2 GLU 87 - HB2 PRO 56 lone 1 100 - 1 - HB VAL 76 - HB2 PRO 56 lone 1 95 - 1 - HB VAL 90 - HB2 PRO 56 lone 1 95 - 1 - HB3 GLU 19 - HB2 PRO 56 lone 1 99 - 1 - HB3 GLN 91 - HB2 PRO 56 lone 0 98 - 0 - HG2 ARG 66 - HB2 PRO 56 lone 0 81 - 1 - HB3 MET 11 - HB2 PRO 56 lone 0 71 - 0 - Peak 2403 from cnoeabs.peaks (2.04, 2.09, 29.60 ppm; 2.48 A): 2 out of 16 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 - 100 - 1.8=100 HG2 PRO 44 - HB2 PRO 56 OK 41 97 - 42 - 2081=4, 1.8/2088=3...(26) HB VAL 45 - HB2 PRO 56 OK 10 63 - 16 - 3.0/2406=2, 2099/3.0=1...(8) HB2 GLU 25 - HB2 PRO 56 lone 3 90 - 3 - HB3 GLU 25 - HB2 PRO 56 lone 3 89 - 3 - HD2 ARG 69 - HB2 PRO 56 lone 1 99 - 1 - HD3 ARG 69 - HB2 PRO 56 lone 1 99 - 1 - HB3 GLU 50 - HB2 PRO 56 lone 1 100 - 1 - HB2 GLU 50 - HB2 PRO 56 lone 1 100 - 1 - HB VAL 76 - HB2 PRO 56 lone 1 99 - 1 - HB2 GLU 87 - HB2 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HB2 PRO 56 lone 1 100 - 1 - HB VAL 90 - HB2 PRO 56 lone 1 85 - 1 - HB3 GLN 91 - HB2 PRO 56 lone 0 100 - 0 - HG2 ARG 66 - HB2 PRO 56 lone 0 65 - 1 - Peak 2404 from cnoeabs.peaks (2.09, 2.09, 29.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Reference assignment not found: HG3 PRO 56 - HB2 PRO 56 Peak 2405 from cnoeabs.peaks (3.70, 2.09, 29.60 ppm; 3.94 A): 3 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 + HB2 PRO 56 OK 54 71 - 76 - 2.3/2403=7, 2420/2.3=7...(43) HA VAL 45 - HB2 PRO 56 OK 43 100 - 43 - 2419/2.3=4, 2412/1.8=4...(18) Peak 2406 from cnoeabs.peaks (3.70, 2.09, 29.60 ppm; 3.94 A): 3 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 * HD3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 + HB2 PRO 56 OK 54 71 - 76 - 2.3/2403=7, 2420/2.3=7...(43) HA VAL 45 - HB2 PRO 56 OK 43 100 - 43 - 2419/2.3=4, 2412/1.8=4...(18) Peak 2407 from cnoeabs.peaks (4.67, 2.03, 29.60 ppm; 6.22 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 2.3=100 HA ASN 42 - HB3 PRO 56 OK 42 99 - 42 - 2414/2.3=10, 2400/1.8=9...(10) HA PRO 56 - HB2 GLU 25 poor 9 57 - 16 - 3879/4.7=1, 2396=1, 2396/1.8=1 HA PRO 56 - HB3 GLU 25 poor 9 55 - 16 - 3879/4.7=1, 2396/1.8=1, 2396=1 HA ASN 42 - HB2 GLU 25 lone 2 54 - 4 - HA ASN 42 - HB3 GLU 25 lone 2 52 - 4 - Peak 2408 from cnoeabs.peaks (2.09, 2.03, 29.60 ppm; 2.40 A): 2 out of 27 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 1.8=100 HG3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 - HB3 PRO 56 OK 41 100 - 41 - 2075=5, 2418/2.3=4...(19) HG2 PRO 36 - HB3 PRO 56 OK 19 100 - 19 - 2423=2, 2418/2.3=1...(4) HG3 PRO 36 - HB3 PRO 56 OK 19 99 - 19 - 2423=2, 2418/2.3=1...(4) HB VAL 45 - HB3 PRO 56 OK 10 76 - 14 - 2099/3.0=2, 2099/3.0=2...(5) HB2 GLU 59 - HB3 PRO 56 lone 2 100 - 2 - HB3 GLU 59 - HB3 PRO 56 lone 2 100 - 2 - HB3 PRO 44 - HB2 GLU 25 lone 2 56 - 4 - HB2 GLU 59 - HB2 GLU 25 lone 2 56 - 4 - HB3 GLU 59 - HB2 GLU 25 lone 2 56 - 4 - HB3 PRO 44 - HB3 GLU 25 lone 2 54 - 4 - HB3 GLU 59 - HB3 GLU 25 lone 2 54 - 4 - HB2 GLU 59 - HB3 GLU 25 lone 2 54 - 4 - HB2 PRO 56 - HB2 GLU 25 lone 2 57 - 3 - HB3 MET 31 - HB3 PRO 56 lone 2 87 - 2 - HB2 PRO 56 - HB3 GLU 25 lone 2 55 - 3 - HG3 PRO 56 - HB2 GLU 25 lone 1 56 - 3 - HG3 PRO 56 - HB3 GLU 25 lone 1 54 - 3 - HB3 MET 31 - HB2 GLU 25 lone 1 43 - 3 - HB3 MET 31 - HB3 GLU 25 lone 1 42 - 3 - HB VAL 45 - HB2 GLU 25 lone 0 36 - 1 - HB VAL 45 - HB3 GLU 25 lone 0 35 - 1 - HG2 PRO 36 - HB2 GLU 25 lone 0 56 - 0 - HG3 PRO 36 - HB2 GLU 25 lone 0 54 - 0 - HG2 PRO 36 - HB3 GLU 25 lone 0 54 - 0 - HG3 PRO 36 - HB3 GLU 25 lone 0 52 - 0 - Peak 2409 from cnoeabs.peaks (2.03, 2.03, 29.60 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 HB2 GLU 25 - HB2 GLU 25 OK 38 38 - 100 HB3 GLU 25 - HB3 GLU 25 OK 35 35 - 100 Peak 2410 from cnoeabs.peaks (2.04, 2.03, 29.60 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HB3 PRO 56 + HB3 PRO 56 OK 99 99 - 100 HB2 GLU 25 + HB2 GLU 25 OK 46 46 - 100 HB3 GLU 25 - HB3 GLU 25 OK 43 43 - 100 Reference assignment not found: HG2 PRO 56 - HB3 PRO 56 Peak 2411 from cnoeabs.peaks (2.09, 2.03, 29.60 ppm; 2.40 A): 2 out of 27 assignments used, quality = 1.00: * HG3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 1.8=100 HB3 PRO 44 - HB3 PRO 56 OK 41 100 - 41 - 2075=5, 2418/2.3=4...(19) HG2 PRO 36 - HB3 PRO 56 OK 19 100 - 19 - 2423=2, 2418/2.3=1...(4) HG3 PRO 36 - HB3 PRO 56 OK 19 100 - 19 - 2423=2, 2418/2.3=1...(4) HB VAL 45 - HB3 PRO 56 poor 10 71 - 13 - 2099/3.0=1, 2099/3.0=1...(5) HB2 GLU 59 - HB3 PRO 56 lone 2 100 - 2 - HB3 GLU 59 - HB3 PRO 56 lone 2 100 - 2 - HB3 PRO 44 - HB2 GLU 25 lone 2 57 - 4 - HB2 GLU 59 - HB2 GLU 25 lone 2 57 - 4 - HB3 GLU 59 - HB2 GLU 25 lone 2 57 - 4 - HB3 PRO 44 - HB3 GLU 25 lone 2 55 - 4 - HB2 GLU 59 - HB3 GLU 25 lone 2 55 - 4 - HB3 GLU 59 - HB3 GLU 25 lone 2 55 - 4 - HB2 PRO 56 - HB2 GLU 25 lone 2 56 - 3 - HB2 PRO 56 - HB3 GLU 25 lone 2 54 - 3 - HB3 MET 31 - HB3 PRO 56 lone 2 83 - 2 - HG3 PRO 56 - HB2 GLU 25 lone 1 57 - 3 - HG3 PRO 56 - HB3 GLU 25 lone 1 55 - 3 - HB3 MET 31 - HB2 GLU 25 lone 1 40 - 2 - HB3 MET 31 - HB3 GLU 25 lone 1 39 - 2 - HB VAL 45 - HB2 GLU 25 lone 0 33 - 1 - HG2 PRO 36 - HB2 GLU 25 lone 0 56 - 0 - HB VAL 45 - HB3 GLU 25 lone 0 32 - 1 - HG3 PRO 36 - HB2 GLU 25 lone 0 56 - 0 - HG2 PRO 36 - HB3 GLU 25 lone 0 54 - 0 - HG3 PRO 36 - HB3 GLU 25 lone 0 54 - 0 - Peak 2412 from cnoeabs.peaks (3.70, 2.03, 29.60 ppm; 4.24 A): 3 out of 12 assignments used, quality = 1.00: * HD2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 + HB3 PRO 56 OK 58 71 - 82 - 2.3/2089=8, 2406/1.8=8...(45) HA VAL 45 - HB3 PRO 56 OK 42 100 - 42 - 2406/1.8=6, 2419/2.3=5...(15) HD2 PRO 56 - HB2 GLU 25 lone 5 57 - 9 - HD3 PRO 56 - HB2 GLU 25 lone 5 57 - 9 - HD3 PRO 56 - HB3 GLU 25 lone 5 55 - 9 - HD2 PRO 56 - HB3 GLU 25 lone 5 55 - 9 - HD3 PRO 44 - HB2 GLU 25 poor 4 33 - 12 - 1.8/2047=1 HD3 PRO 44 - HB3 GLU 25 poor 4 32 - 12 - 1.8/2047=1 HA VAL 45 - HB2 GLU 25 lone 2 56 - 4 - HA VAL 45 - HB3 GLU 25 lone 2 54 - 4 - Peak 2413 from cnoeabs.peaks (3.70, 2.03, 29.60 ppm; 4.24 A): 3 out of 12 assignments used, quality = 1.00: HD2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 * HD3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 44 + HB3 PRO 56 OK 58 71 - 82 - 2.3/2089=8, 2406/1.8=8...(45) HA VAL 45 - HB3 PRO 56 OK 42 100 - 42 - 2406/1.8=6, 2419/2.3=5...(15) HD2 PRO 56 - HB2 GLU 25 lone 5 57 - 9 - HD3 PRO 56 - HB2 GLU 25 lone 5 57 - 9 - HD3 PRO 56 - HB3 GLU 25 lone 5 55 - 9 - HD2 PRO 56 - HB3 GLU 25 lone 5 55 - 9 - HD3 PRO 44 - HB2 GLU 25 poor 4 33 - 12 - 1.8/2047=1 HD3 PRO 44 - HB3 GLU 25 poor 4 32 - 12 - 1.8/2047=1 HA VAL 45 - HB2 GLU 25 lone 2 56 - 4 - HA VAL 45 - HB3 GLU 25 lone 2 54 - 4 - Peak 2414 from cnoeabs.peaks (4.67, 2.04, 27.30 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 3.8=100 HA ASN 42 - HG2 PRO 56 OK 25 99 - 25 - 2400/2.3=8, 2421/1.8=6...(6) Peak 2415 from cnoeabs.peaks (2.09, 2.04, 27.30 ppm; 2.42 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 1.8=100 HB3 PRO 44 - HG2 PRO 56 OK 44 100 - 44 - 2075=6, 2.3/2089=4...(19) HG2 PRO 36 - HG2 PRO 56 OK 18 100 - 18 - 2423=2, 2411/2.3=1, 1.8/2423=1 HG3 PRO 36 - HG2 PRO 56 OK 18 99 - 18 - 2423=2, 2411/2.3=1, 1.8/2423=1 HB VAL 45 - HG2 PRO 56 OK 12 76 - 16 - 2099/2.3=2, 2099/2.3=2...(5) HB2 GLU 59 - HG2 PRO 56 lone 2 100 - 2 - HB3 GLU 59 - HG2 PRO 56 lone 2 100 - 2 - HB3 MET 31 - HG2 PRO 56 lone 1 87 - 1 - Peak 2416 from cnoeabs.peaks (2.03, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HG2 PRO 56 + HG2 PRO 56 OK 99 99 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 2417 from cnoeabs.peaks (2.04, 2.04, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 Peak 2418 from cnoeabs.peaks (2.09, 2.04, 27.30 ppm; 2.42 A): 2 out of 9 assignments used, quality = 1.00: * HG3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 1.8=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 44 - HG2 PRO 56 OK 44 100 - 44 - 2075=6, 2.3/2089=4...(19) HG2 PRO 36 - HG2 PRO 56 OK 18 100 - 18 - 2423=2, 2411/2.3=1, 1.8/2423=1 HG3 PRO 36 - HG2 PRO 56 OK 18 100 - 18 - 2423=2, 2411/2.3=1, 1.8/2423=1 HB VAL 45 - HG2 PRO 56 OK 11 71 - 16 - 2099/2.3=2, 2099/2.3=2...(5) HB2 GLU 59 - HG2 PRO 56 lone 2 100 - 2 - HB3 GLU 59 - HG2 PRO 56 lone 2 100 - 2 - HB3 MET 31 - HG2 PRO 56 lone 1 83 - 1 - Peak 2419 from cnoeabs.peaks (3.70, 2.04, 27.30 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 44 - HG2 PRO 56 OK 45 71 - 64 - 2.3/2089=7, 3.0/2075=5...(37) HA VAL 45 - HG2 PRO 56 OK 31 100 - 31 - 2405/2.3=4, 2412/2.3=3...(15) Peak 2420 from cnoeabs.peaks (3.70, 2.04, 27.30 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 * HD3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 44 - HG2 PRO 56 OK 45 71 - 64 - 2.3/2089=7, 3.0/2075=5...(37) HA VAL 45 - HG2 PRO 56 OK 31 100 - 31 - 2405/2.3=4, 2412/2.3=3...(15) Peak 2421 from cnoeabs.peaks (4.67, 2.09, 27.30 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * HA PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 3.8=100 HA PRO 56 - HG2 PRO 36 OK 26 75 - 35 - 2397=4, 2397/1.8=4...(19) HA PRO 56 - HG3 PRO 36 OK 26 74 - 35 - 2397=4, 2397/1.8=4...(19) HA ASN 42 - HG3 PRO 56 OK 25 99 - 25 - 2414/1.8=7, 2400/2.3=7...(6) HA ASN 42 - HG3 PRO 36 lone 5 72 - 7 - ~145=4, 4340/4350=2 HA ASN 42 - HG2 PRO 36 lone 5 72 - 7 - ~145=4, 4340/4350=2 Peak 2422 from cnoeabs.peaks (2.09, 2.09, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 36 + HG2 PRO 36 OK 74 74 - 100 HG3 PRO 36 + HG3 PRO 36 OK 72 72 - 100 Reference assignment not found: HB2 PRO 56 - HG3 PRO 56 Peak 2423 from cnoeabs.peaks (2.03, 2.09, 27.30 ppm; 2.41 A): 2 out of 48 assignments used, quality = 1.00: * HB3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HG3 PRO 56 OK 99 99 - 100 - 1.8=100 HG2 PRO 44 - HG3 PRO 56 OK 37 90 - 41 - 2403/2.3=4, 1.8/2088=3...(25) HG2 PRO 44 - HG2 PRO 36 OK 31 62 - 50 - 2083/2.3=5, 2080/2.3=4...(33) HG2 PRO 44 - HG3 PRO 36 OK 31 61 - 50 - 2083/2.3=5, 2080/2.3=4...(33) HB3 PRO 56 - HG2 PRO 36 OK 15 75 - 20 - 2411=3, 2411/1.8=2...(4) HB3 PRO 56 - HG3 PRO 36 OK 15 74 - 20 - 2411=3, 2411/1.8=2...(4) HG2 PRO 56 - HG2 PRO 36 OK 14 73 - 19 - 2418=3, 2418/1.8=2, 2.3/2411=1 HG2 PRO 56 - HG3 PRO 36 OK 14 72 - 19 - 2418=3, 2418/1.8=2, 2.3/2411=1 HD2 ARG 69 - HG2 PRO 36 lone 4 75 - 5 - ~5253=1 HD3 ARG 69 - HG2 PRO 36 lone 4 75 - 5 - ~5253=1 HD3 ARG 69 - HG3 PRO 36 lone 4 74 - 5 - ~5253=1 HD2 ARG 69 - HG3 PRO 36 lone 4 74 - 5 - ~5253=1 HB3 MET 11 - HG2 PRO 36 lone 3 46 - 6 - ~966=1, 971/2.3=1 HB3 MET 11 - HG3 PRO 36 lone 3 45 - 6 - ~966=1, 971/2.3=1 HB2 GLU 25 - HG3 PRO 56 lone 2 78 - 3 - HB3 GLU 25 - HG3 PRO 56 lone 2 76 - 3 - HD2 ARG 69 - HG3 PRO 56 lone 1 100 - 1 - HD3 ARG 69 - HG3 PRO 56 lone 1 100 - 1 - HB3 GLU 50 - HG3 PRO 56 lone 1 98 - 1 - HB2 GLU 50 - HG3 PRO 56 lone 1 98 - 1 - HB2 GLU 87 - HG3 PRO 56 lone 1 100 - 1 - HB VAL 76 - HG3 PRO 56 lone 1 95 - 1 - HB VAL 90 - HG3 PRO 56 lone 0 95 - 0 - HB3 GLU 19 - HG3 PRO 56 lone 0 99 - 0 - HB3 GLN 91 - HG3 PRO 56 lone 0 98 - 0 - HG2 ARG 66 - HG3 PRO 56 lone 0 81 - 0 - HB3 GLU 50 - HG2 PRO 36 lone 0 71 - 0 - HB2 GLU 50 - HG2 PRO 36 lone 0 71 - 0 - HB2 GLU 50 - HG3 PRO 36 lone 0 70 - 0 - HB3 GLU 50 - HG3 PRO 36 lone 0 70 - 0 - HB3 MET 11 - HG3 PRO 56 lone 0 71 - 0 - HB2 GLU 25 - HG2 PRO 36 lone 0 51 - 0 - HB2 GLU 25 - HG3 PRO 36 lone 0 51 - 0 - HB3 GLU 25 - HG2 PRO 36 lone 0 50 - 0 - HB3 GLU 25 - HG3 PRO 36 lone 0 49 - 0 - HB VAL 76 - HG3 PRO 36 lone 0 65 - 0 - HB VAL 76 - HG2 PRO 36 lone 0 66 - 0 - HB2 GLU 87 - HG2 PRO 36 lone 0 75 - 0 - HB2 GLU 87 - HG3 PRO 36 lone 0 74 - 0 - HB3 GLU 19 - HG2 PRO 36 lone 0 72 - 0 - HB3 GLU 19 - HG3 PRO 36 lone 0 72 - 0 - HB VAL 90 - HG2 PRO 36 lone 0 66 - 0 - HB VAL 90 - HG3 PRO 36 lone 0 65 - 0 - HB3 GLN 91 - HG2 PRO 36 lone 0 71 - 0 - HB3 GLN 91 - HG3 PRO 36 lone 0 70 - 0 - HG2 ARG 66 - HG2 PRO 36 lone 0 53 - 0 - HG2 ARG 66 - HG3 PRO 36 lone 0 53 - 0 - Peak 2424 from cnoeabs.peaks (2.04, 2.09, 27.30 ppm; 2.41 A): 2 out of 48 assignments used, quality = 1.00: * HG2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 1.8=100 HB3 PRO 56 + HG3 PRO 56 OK 99 99 - 100 - 2.3=100 HG2 PRO 44 - HG3 PRO 56 OK 40 97 - 41 - 2403/2.3=4, 2081=3...(25) HG2 PRO 44 - HG2 PRO 36 OK 36 70 - 51 - 2083/2.3=5, 2080/2.3=4...(33) HG2 PRO 44 - HG3 PRO 36 OK 35 69 - 51 - 2083/2.3=5, 2080/2.3=4...(33) HB3 PRO 56 - HG2 PRO 36 OK 15 73 - 20 - 2411=3, 2411/1.8=2...(4) HB3 PRO 56 - HG3 PRO 36 OK 15 72 - 20 - 2411=3, 2411/1.8=2...(4) HG2 PRO 56 - HG2 PRO 36 OK 14 75 - 19 - 2418=3, 2418/1.8=2, 2.3/2411=1 HG2 PRO 56 - HG3 PRO 36 OK 14 74 - 19 - 2418=3, 2418/1.8=2, 2.3/2411=1 HB VAL 45 - HG3 PRO 56 OK 10 63 - 16 - 2099/2.3=2, 2099/2.3=2...(7) HD2 ARG 69 - HG2 PRO 36 lone 4 72 - 5 - ~5253=1 HD3 ARG 69 - HG2 PRO 36 lone 4 72 - 5 - ~5253=1 HD2 ARG 69 - HG3 PRO 36 lone 4 72 - 5 - ~5253=1 HD3 ARG 69 - HG3 PRO 36 lone 4 72 - 5 - ~5253=1 HB2 GLU 25 - HG3 PRO 56 lone 3 90 - 3 - HB3 GLU 25 - HG3 PRO 56 lone 3 89 - 3 - HD3 ARG 69 - HG3 PRO 56 lone 1 99 - 1 - HD2 ARG 69 - HG3 PRO 56 lone 1 99 - 1 - HB3 GLU 50 - HG3 PRO 56 lone 1 100 - 1 - HB2 GLU 50 - HG3 PRO 56 lone 1 100 - 1 - HB VAL 45 - HG2 PRO 36 lone 1 40 - 2 - HB VAL 45 - HG3 PRO 36 lone 1 39 - 2 - HB VAL 76 - HG3 PRO 56 lone 1 99 - 1 - HB2 GLU 87 - HG3 PRO 56 lone 1 99 - 1 - HB3 GLU 19 - HG3 PRO 56 lone 0 100 - 0 - HB VAL 90 - HG3 PRO 56 lone 0 85 - 0 - HB3 GLN 91 - HG3 PRO 56 lone 0 100 - 0 - HB2 GLU 50 - HG2 PRO 36 lone 0 74 - 0 - HB3 GLU 50 - HG2 PRO 36 lone 0 74 - 0 - HB2 GLU 50 - HG3 PRO 36 lone 0 74 - 0 - HB3 GLU 50 - HG3 PRO 36 lone 0 74 - 0 - HB2 GLU 25 - HG3 PRO 36 lone 0 61 - 1 - HB2 GLU 25 - HG2 PRO 36 lone 0 62 - 0 - HB3 GLU 25 - HG3 PRO 36 lone 0 60 - 1 - HB3 GLU 25 - HG2 PRO 36 lone 0 60 - 0 - HG2 ARG 66 - HG3 PRO 56 lone 0 65 - 0 - HB VAL 76 - HG2 PRO 36 lone 0 72 - 0 - HB VAL 76 - HG3 PRO 36 lone 0 72 - 0 - HB3 GLU 19 - HG2 PRO 36 lone 0 75 - 0 - HB3 GLU 19 - HG3 PRO 36 lone 0 74 - 0 - HB3 GLN 91 - HG2 PRO 36 lone 0 74 - 0 - HB2 GLU 87 - HG2 PRO 36 lone 0 73 - 0 - HB3 GLN 91 - HG3 PRO 36 lone 0 74 - 0 - HB2 GLU 87 - HG3 PRO 36 lone 0 72 - 0 - HB VAL 90 - HG2 PRO 36 lone 0 57 - 0 - HB VAL 90 - HG3 PRO 36 lone 0 56 - 0 - HG2 ARG 66 - HG2 PRO 36 lone 0 42 - 0 - HG2 ARG 66 - HG3 PRO 36 lone 0 41 - 0 - Peak 2425 from cnoeabs.peaks (2.09, 2.09, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 36 + HG2 PRO 36 OK 74 74 - 100 HG3 PRO 36 + HG3 PRO 36 OK 73 73 - 100 Peak 2426 from cnoeabs.peaks (3.70, 2.09, 27.30 ppm; 3.33 A): 2 out of 12 assignments used, quality = 1.00: HD3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 * HD2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 44 - HG3 PRO 56 OK 43 71 - 61 - 2420/1.8=6, 2.3/2088=5...(36) HD3 PRO 44 - HG2 PRO 36 OK 33 46 - 73 - 2.3/2088=6, 2.3/2081=5...(43) HA VAL 45 - HG3 PRO 56 OK 33 100 - 33 - 2420/1.8=4, 2406/2.3=4...(12) HD3 PRO 44 - HG3 PRO 36 OK 33 45 - 73 - 2.3/2088=6, 2.3/2081=5...(43) HD3 PRO 56 - HG2 PRO 36 OK 24 75 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD2 PRO 56 - HG2 PRO 36 OK 24 75 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD3 PRO 56 - HG3 PRO 36 OK 24 74 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD2 PRO 56 - HG3 PRO 36 OK 24 74 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HA VAL 45 - HG2 PRO 36 lone 7 75 - 9 - ~156=2, ~3830=1, 3.0/157=1 HA VAL 45 - HG3 PRO 36 lone 7 74 - 9 - ~156=2, ~3830=1, 3.0/157=1 Peak 2427 from cnoeabs.peaks (3.70, 2.09, 27.30 ppm; 3.33 A): 2 out of 12 assignments used, quality = 1.00: * HD3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 44 - HG3 PRO 56 OK 43 71 - 61 - 2420/1.8=6, 2.3/2088=5...(36) HD3 PRO 44 - HG2 PRO 36 OK 33 46 - 73 - 2.3/2088=6, 2.3/2081=5...(43) HA VAL 45 - HG3 PRO 56 OK 33 100 - 33 - 2420/1.8=4, 2406/2.3=4...(12) HD3 PRO 44 - HG3 PRO 36 OK 33 45 - 73 - 2.3/2088=6, 2.3/2081=5...(43) HD3 PRO 56 - HG2 PRO 36 OK 24 75 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD2 PRO 56 - HG2 PRO 36 OK 24 75 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD3 PRO 56 - HG3 PRO 36 OK 24 74 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HD2 PRO 56 - HG3 PRO 36 OK 24 74 - 32 - 2.3/2418=3, 3.6/2421=2...(12) HA VAL 45 - HG2 PRO 36 lone 7 75 - 9 - ~156=2, ~3830=1, 3.0/157=1 HA VAL 45 - HG3 PRO 36 lone 7 74 - 9 - ~156=2, ~3830=1, 3.0/157=1 Peak 2429 from cnoeabs.peaks (4.76, 4.76, 53.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HA LEU 57 OK 100 100 - 100 Peak 2431 from cnoeabs.peaks (1.47, 4.76, 53.70 ppm; 4.41 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HA LEU 57 OK 100 100 - 100 - 3.0=100 HB3 LEU 52 + HA LEU 57 OK 55 100 - 55 - 6098/4.0=13, 2438/3.0=10...(12) HG12 ILE 33 + HA LEU 57 OK 46 73 - 63 - ~2440=10, ~2447=10...(19) HG2 LYS 73 - HA LEU 57 OK 21 97 - 21 - 691/3.0=3, 2438/3.0=2...(8) HG3 LYS 13 - HA LEU 57 OK 16 96 - 17 - 228/3.6=2, 2438/3.0=2...(6) QB ALA 63 - HA LEU 57 OK 15 87 - 18 - ~726=2, ~256=2...(9) QB ALA 30 - HA LEU 57 OK 10 76 - 13 - 4190/4.7=3, 228/3.6=3...(7) HG13 ILE 89 - HA LEU 57 lone 5 60 - 9 - 1671/4.0=1 HG3 LYS 85 - HA LEU 57 lone 5 92 - 5 - Peak 2435 from cnoeabs.peaks (8.15, 1.77, 44.00 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.8=100 H ASN 74 - HB2 LEU 57 OK 31 100 - 32 - 2442/1.8=6, 2449/3.0=6...(8) H ALA 78 - HB2 LEU 57 lone 10 100 - 10 - 2442/1.8=2, 2449/3.0=2...(5) H ARG 26 - HB2 LEU 57 poor 9 83 - 10 - 2442/1.8=2, 2449/3.0=1...(5) H ARG 27 - HB2 LEU 57 lone 6 65 - 10 - 2442/1.8=1, 2456/3.1=1 H ILE 89 - HB2 LEU 57 lone 6 78 - 8 - 2442/1.8=1, 2449/3.0=1 H THR 88 - HB2 LEU 57 lone 4 83 - 4 - Peak 2436 from cnoeabs.peaks (4.76, 1.77, 44.00 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.0=100 HB THR 58 + HB2 LEU 57 OK 61 100 - 61 - 226/4.2=15, 2443/1.8=15...(10) Peak 2437 from cnoeabs.peaks (1.77, 1.77, 44.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 Peak 2438 from cnoeabs.peaks (1.47, 1.77, 44.00 ppm; 3.28 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 1.8=100 HB3 LEU 52 + HB2 LEU 57 OK 67 100 - 67 - ~4613=7, 6098/3.1=7...(26) HG12 ILE 33 + HB2 LEU 57 OK 55 73 - 75 - 2.1/2440=11, ~4221=7...(34) HG2 LYS 73 - HB2 LEU 57 OK 15 97 - 16 - 691/3.8=1, 2431/3.0=1...(6) QB ALA 63 - HB2 LEU 57 OK 14 87 - 16 - 2.9/256=2, ~726=2...(7) HG3 LYS 13 - HB2 LEU 57 OK 13 96 - 13 - 2459/3.1=1, 2466/3.1=1 QB ALA 30 - HB2 LEU 57 lone 8 76 - 10 - 3.6/6119=2, 228/4.2=1 HG13 ILE 89 - HB2 LEU 57 lone 4 60 - 7 - HG3 LYS 85 - HB2 LEU 57 lone 4 92 - 4 - Peak 2439 from cnoeabs.peaks (1.95, 1.77, 44.00 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.0=100 HB2 MET 31 + HB2 LEU 57 OK 55 85 - 65 - 3.0/4600=10, 6120/3.1=10...(21) HB2 LEU 64 - HB2 LEU 57 OK 36 89 - 41 - 5025/3.1=9, ~5026=7...(15) HB2 ARG 70 - HB2 LEU 57 OK 15 100 - 15 - 2446/1.8=2, 2467/3.1=2...(7) HB3 ARG 70 - HB2 LEU 57 OK 15 100 - 15 - 2446/1.8=2, 2467/3.1=2...(7) HB VAL 41 - HB2 LEU 57 poor 10 71 - 14 - ~4904=3, ~4599=2...(6) HB3 ARG 66 - HB2 LEU 57 lone 8 95 - 8 - 2460/3.1=1, 2446/1.8=1 HB2 GLN 79 - HB2 LEU 57 lone 5 96 - 5 - Peak 2440 from cnoeabs.peaks (0.71, 1.77, 44.00 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.1=100 QD1 ILE 33 + HB2 LEU 57 OK 91 100 - 92 - 4221/3.1=22, 2447/1.8=18...(37) Peak 2441 from cnoeabs.peaks (1.00, 1.77, 44.00 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + HB2 LEU 57 OK 100 100 - 100 - 3.1=100 QG1 VAL 45 - HB2 LEU 57 OK 41 97 - 41 - 2448/1.8=10, 2455/3.0=8...(8) Peak 2442 from cnoeabs.peaks (8.15, 1.47, 44.00 ppm; 4.37 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.8=100 H ASN 74 - HB3 LEU 57 OK 36 100 - 36 - 2435/1.8=8, 2449/3.0=7...(10) H ALA 78 - HB3 LEU 57 OK 12 100 - 12 - 2435/1.8=3, 2449/3.0=2...(5) H ARG 26 - HB3 LEU 57 poor 10 83 - 12 - 2435/1.8=2, 2449/3.0=2...(5) H ILE 89 - HB3 LEU 57 lone 8 78 - 10 - 2435/1.8=2, 2456/3.1=1...(5) H ARG 27 - HB3 LEU 57 lone 6 65 - 10 - 2435/1.8=2, 2456/3.1=1...(4) H THR 88 - HB3 LEU 57 lone 5 83 - 6 - 2435/1.8=1 Peak 2443 from cnoeabs.peaks (4.76, 1.47, 44.00 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.0=100 HB THR 58 + HB3 LEU 57 OK 61 100 - 61 - 226/4.2=15, 2436/1.8=15...(10) Peak 2444 from cnoeabs.peaks (1.77, 1.47, 44.00 ppm; 3.31 A): 3 out of 17 assignments used, quality = 1.00: * HB2 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 1.8=100 HB ILE 33 + HB3 LEU 57 OK 75 100 - 75 - ~4612=10, 1657/3.1=9...(37) HG2 PRO 34 + HB3 LEU 57 OK 47 99 - 48 - ~4603=8, 4860/3.1=8...(20) HB2 LEU 62 - HB3 LEU 57 OK 43 83 - 52 - ~6069=7, 4.0/4619=6...(21) HB2 PRO 34 - HB3 LEU 57 OK 41 95 - 43 - ~4603=6, ~4605=5...(19) HB3 LYS 73 - HB3 LEU 57 OK 18 97 - 19 - 4.3/2442=3, 4.0/789=2...(6) HB2 ARG 54 - HB3 LEU 57 OK 18 100 - 18 - ~4982=2, 1.8/4983=2...(8) HB2 LYS 32 - HB3 LEU 57 OK 16 99 - 16 - 4.3/574=2, 4.0/5541=1...(5) HB3 LYS 32 - HB3 LEU 57 OK 16 99 - 16 - 4.3/574=2, 4.0/5541=1...(5) HB2 LYS 13 - HB3 LEU 57 poor 9 76 - 11 - 1.8/1014=1 HB3 LYS 39 - HB3 LEU 57 lone 8 90 - 9 - HB3 LYS 75 - HB3 LEU 57 lone 4 81 - 5 - HG3 ARG 26 - HB3 LEU 57 lone 3 87 - 3 - HG3 ARG 71 - HB3 LEU 57 lone 2 92 - 3 - HB3 ARG 82 - HB3 LEU 57 lone 2 100 - 2 - HB2 LYS 83 - HB3 LEU 57 lone 2 92 - 2 - HB3 ARG 17 - HB3 LEU 57 lone 1 76 - 2 - Peak 2445 from cnoeabs.peaks (1.47, 1.47, 44.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 57 + HB3 LEU 57 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (1.95, 1.47, 44.00 ppm; 4.27 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.0=100 HB2 MET 31 + HB3 LEU 57 OK 61 85 - 71 - 3.0/4601=13, 6120/3.1=11...(21) HB2 LEU 64 - HB3 LEU 57 OK 43 89 - 49 - 5025/3.1=10, ~5026=8...(17) HB2 ARG 70 - HB3 LEU 57 OK 17 100 - 17 - 2439/1.8=3, 2467/3.1=2...(7) HB3 ARG 70 - HB3 LEU 57 OK 17 100 - 17 - 2439/1.8=3, 2467/3.1=2...(7) HB VAL 41 - HB3 LEU 57 OK 12 71 - 17 - 2.1/4904=4, 2.1/4599=3...(6) HB3 ARG 66 - HB3 LEU 57 lone 9 95 - 10 - 2439/1.8=1, 2460/3.1=1 HB2 GLN 79 - HB3 LEU 57 lone 6 96 - 6 - Peak 2447 from cnoeabs.peaks (0.71, 1.47, 44.00 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.1=100 QD1 ILE 33 + HB3 LEU 57 OK 91 100 - 91 - 4221/3.1=22, 2440/1.8=18...(36) Peak 2448 from cnoeabs.peaks (1.00, 1.47, 44.00 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 - 100 - 3.1=100 QG1 VAL 45 - HB3 LEU 57 OK 44 97 - 45 - 2441/1.8=12, 2455/3.0=9...(8) Peak 2449 from cnoeabs.peaks (8.15, 1.95, 26.44 ppm; 3.88 A): 2 out of 7 assignments used, quality = 0.89: * H LEU 57 + HG LEU 57 OK 85 100 - 85 - 5.2=42, 694/2.1=27...(11) H ASN 74 + HG LEU 57 OK 30 100 - 30 - 2456/2.1=6, 2463/2.1=6...(7) H ALA 78 - HG LEU 57 lone 9 100 - 9 - 2456/2.1=2, 2463/2.1=2...(4) H ARG 26 - HG LEU 57 lone 7 83 - 8 - 2456/2.1=2, 2435/3.0=1...(4) H ILE 89 - HG LEU 57 lone 5 78 - 6 - 2456/2.1=1, 2442/3.0=1...(4) H ARG 27 - HG LEU 57 lone 5 65 - 7 - 2456/2.1=1, 2435/3.0=1 H THR 88 - HG LEU 57 lone 3 83 - 4 - Peak 2450 from cnoeabs.peaks (4.76, 1.95, 26.44 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HG LEU 57 OK 100 100 - 100 - 3.7=100 HB THR 58 + HG LEU 57 OK 60 100 - 60 - 2457/2.1=17, 226/4.9=14...(8) Peak 2451 from cnoeabs.peaks (1.77, 1.95, 26.44 ppm; 3.91 A): 5 out of 17 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 - 100 - 3.0=100 HB ILE 33 + HG LEU 57 OK 90 100 - 90 - ~4612=19, 1657/2.1=16...(35) HG2 PRO 34 + HG LEU 57 OK 68 99 - 69 - ~4603=16, ~4605=13...(22) HB2 PRO 34 + HG LEU 57 OK 59 95 - 62 - ~4603=13, ~4605=11...(18) HB2 LEU 62 + HG LEU 57 OK 50 83 - 61 - ~6069=15, ~4608=9...(22) HB2 ARG 54 - HG LEU 57 OK 26 100 - 26 - 4.6/5733=6, ~5325=3...(10) HB2 LYS 32 - HG LEU 57 OK 24 99 - 24 - 4.3/5181=5, 2458/2.1=2...(10) HB3 LYS 32 - HG LEU 57 OK 24 99 - 24 - 4.3/5181=5, 2458/2.1=2...(10) HB3 LYS 73 - HG LEU 57 OK 20 97 - 20 - 4.3/2449=4, 2.9/2452=2...(8) HB2 LYS 13 - HG LEU 57 poor 9 76 - 11 - 3.0/2452=1, ~2459=1 HB3 LYS 39 - HG LEU 57 lone 8 90 - 9 - ~5325=2 HG3 ARG 26 - HG LEU 57 lone 4 87 - 5 - HG3 ARG 71 - HG LEU 57 lone 4 92 - 4 - HB3 LYS 75 - HG LEU 57 lone 4 81 - 5 - HB3 ARG 82 - HG LEU 57 lone 3 100 - 3 - HB2 LYS 83 - HG LEU 57 lone 2 92 - 2 - HB3 ARG 17 - HG LEU 57 lone 2 76 - 2 - Peak 2452 from cnoeabs.peaks (1.47, 1.95, 26.44 ppm; 4.41 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HG LEU 57 OK 100 100 - 100 - 3.0=100 HB3 LEU 52 + HG LEU 57 OK 92 100 - 92 - ~4613=21, ~4607=17...(26) HG12 ILE 33 + HG LEU 57 OK 69 73 - 94 - 2.1/2454=20, ~4221=19...(32) QB ALA 63 - HG LEU 57 OK 25 87 - 29 - 5009=3, 2.9/4685=3...(14) HG2 LYS 73 - HG LEU 57 OK 23 97 - 24 - 2459/2.1=2, 2466/2.1=2...(9) HG3 LYS 13 - HG LEU 57 OK 20 96 - 20 - 2459/2.1=3, 2466/2.1=2...(7) QB ALA 30 - HG LEU 57 OK 15 76 - 20 - 3.6/556=4, 4.9/1526=4...(9) HG13 ILE 89 - HG LEU 57 poor 6 60 - 11 - 1671/2.1=2, 1671/2454=1 HG3 LYS 85 - HG LEU 57 lone 5 92 - 5 - Peak 2453 from cnoeabs.peaks (1.95, 1.95, 26.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 57 + HG LEU 57 OK 100 100 - 100 Peak 2454 from cnoeabs.peaks (0.71, 1.95, 26.44 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HG LEU 57 OK 100 100 - 100 - 2.1=100 QD1 ILE 33 + HG LEU 57 OK 89 100 - 89 - 4221/2.1=23, 4223=18...(33) Peak 2455 from cnoeabs.peaks (1.00, 1.95, 26.44 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + HG LEU 57 OK 100 100 - 100 - 2.1=100 QG1 VAL 45 - HG LEU 57 OK 35 97 - 36 - 2462/2.1=9, 2441/3.0=7...(8) Peak 2456 from cnoeabs.peaks (8.15, 0.71, 23.03 ppm; 4.42 A): 1 out of 7 assignments used, quality = 0.98: * H LEU 57 + QD2 LEU 57 OK 98 100 - 98 - 4.7=85, 694/2.1=32...(12) H ASN 74 - QD2 LEU 57 OK 37 100 - 37 - 2449/2.1=9, 2463/2.1=7...(8) H ALA 78 - QD2 LEU 57 OK 12 100 - 11 - 2449/2.1=3, 2463/2.1=2...(5) H ARG 26 - QD2 LEU 57 poor 9 83 - 11 - 2449/2.1=2, 2463/2.1=2...(4) H ARG 27 - QD2 LEU 57 poor 7 65 - 11 - 5520/4178=2, 2463/2.1=1...(5) H ILE 89 - QD2 LEU 57 lone 7 78 - 9 - 2449/2.1=2, 2463/2.1=1...(5) H THR 88 - QD2 LEU 57 lone 5 83 - 5 - 2449/2.1=1 Peak 2457 from cnoeabs.peaks (4.76, 0.71, 23.03 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.89: * HA LEU 57 + QD2 LEU 57 OK 81 100 - 81 - 4.0=59, 3.6/3888=16...(11) HB THR 58 + QD2 LEU 57 OK 43 100 - 43 - 4.1/3888=14, 2436/3.1=7...(10) Peak 2458 from cnoeabs.peaks (1.77, 0.71, 23.03 ppm; 3.66 A): 5 out of 17 assignments used, quality = 1.00: * HB2 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 3.1=100 HB ILE 33 + QD2 LEU 57 OK 92 100 - 92 - 2.1/4612=26, 1657=16...(39) HG2 PRO 34 + QD2 LEU 57 OK 72 99 - 73 - 2.3/4603=22, 2.3/4605=18...(26) HB2 PRO 34 + QD2 LEU 57 OK 64 95 - 67 - 3.0/4603=19, 3.0/4605=16...(19) HB2 LEU 62 + QD2 LEU 57 OK 50 83 - 60 - ~6069=13, 4.0/4673=10...(21) HB2 ARG 54 - QD2 LEU 57 OK 33 100 - 33 - 4.6/5741=4, 4561/4989=4...(12) HB2 LYS 32 - QD2 LEU 57 OK 29 99 - 30 - 4.3/576=8, 2.9/5750=2...(10) HB3 LYS 32 - QD2 LEU 57 OK 29 99 - 30 - 4.3/576=8, 2.9/5750=2...(10) HB3 LYS 73 - QD2 LEU 57 OK 18 97 - 19 - 4.3/2456=3, 2.9/2459=2...(8) HB2 LYS 13 - QD2 LEU 57 OK 12 76 - 15 - 3.5/4985=2, 3.5/4985=2 HB3 LYS 39 - QD2 LEU 57 OK 10 90 - 11 - 2.9/5325=2 HB3 LYS 75 - QD2 LEU 57 lone 6 81 - 8 - 3.5/4985=1, 3.5/4985=1 HB3 ARG 82 - QD2 LEU 57 lone 5 100 - 5 - HG3 ARG 26 - QD2 LEU 57 lone 5 87 - 5 - HG3 ARG 71 - QD2 LEU 57 lone 4 92 - 4 - HB3 ARG 17 - QD2 LEU 57 lone 2 76 - 3 - HB2 LYS 83 - QD2 LEU 57 lone 2 92 - 2 - Peak 2459 from cnoeabs.peaks (1.47, 0.71, 23.03 ppm; 3.81 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 3.1=100 HB3 LEU 52 + QD2 LEU 57 OK 87 100 - 87 - 3.1/5751=19, ~4613=16...(28) HG12 ILE 33 + QD2 LEU 57 OK 67 73 - 92 - 3.2/4612=23, 1.8/1678=17...(32) QB ALA 63 - QD2 LEU 57 OK 21 87 - 25 - 3.6/4988=3, 5787/4673=3...(14) HG3 LYS 13 - QD2 LEU 57 OK 21 96 - 21 - 2.9/4985=3, 2.9/4985=3...(9) HG2 LYS 73 - QD2 LEU 57 OK 19 97 - 20 - 2466/2.1=2, 2452/2.1=2...(8) QB ALA 30 - QD2 LEU 57 OK 14 76 - 18 - 3.6/5741=4, 6116/4847=2...(6) HG13 ILE 89 - QD2 LEU 57 poor 8 60 - 13 - 1668/4612=2, 1671=2 HG3 LYS 85 - QD2 LEU 57 lone 4 92 - 5 - Peak 2460 from cnoeabs.peaks (1.95, 0.71, 23.03 ppm; 3.45 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 2.1=100 HB2 MET 31 + QD2 LEU 57 OK 53 85 - 62 - 3.0/4602=8, 6120=8...(20) HB2 LEU 64 - QD2 LEU 57 OK 38 89 - 43 - 1.8/5026=7, 5025=7...(13) HB2 ARG 70 - QD2 LEU 57 OK 12 100 - 12 - 2467/2.1=2, 2439/3.1=1...(4) HB3 ARG 70 - QD2 LEU 57 OK 12 100 - 12 - 2467/2.1=2, 2439/3.1=1...(4) HB3 ARG 66 - QD2 LEU 57 lone 8 95 - 9 - 2467/2.1=1 HB VAL 41 - QD2 LEU 57 poor 8 71 - 11 - ~4904=1, 2467/2.1=1, ~4599=1 HB2 GLN 79 - QD2 LEU 57 lone 4 96 - 4 - Peak 2461 from cnoeabs.peaks (0.71, 0.71, 23.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 57 + QD2 LEU 57 OK 100 100 - 100 Peak 2462 from cnoeabs.peaks (1.00, 0.71, 23.03 ppm; 3.12 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + QD2 LEU 57 OK 100 100 - 100 - 2.1=100 QG1 VAL 45 - QD2 LEU 57 OK 32 97 - 33 - 2455/2.1=7, 2441/3.1=6...(8) Peak 2463 from cnoeabs.peaks (8.15, 1.00, 27.02 ppm; 4.63 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 4.7=98, 692/2.1=31...(12) H ASN 74 - QD1 LEU 57 OK 39 100 - 40 - 2449/2.1=9, 2456/2.1=8...(9) H ALA 78 - QD1 LEU 57 OK 13 100 - 12 - 2449/2.1=3, 2456/2.1=3...(5) H ARG 26 - QD1 LEU 57 poor 9 83 - 11 - 2449/2.1=2, 2456/2.1=2...(5) H ILE 89 - QD1 LEU 57 lone 7 78 - 9 - 2456/2.1=2, 2449/2.1=2...(4) H ARG 27 - QD1 LEU 57 poor 7 65 - 11 - 2456/2.1=2, 2435/3.1=1...(5) H THR 88 - QD1 LEU 57 lone 5 83 - 6 - 2449/2.1=1, 2456/2.1=1 Peak 2464 from cnoeabs.peaks (4.76, 1.00, 27.02 ppm; 4.82 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 4.0=100 HB THR 58 + QD1 LEU 57 OK 65 100 - 65 - 2457/2.1=17, 226/4.8=16...(9) Peak 2465 from cnoeabs.peaks (1.77, 1.00, 27.02 ppm; 3.63 A): 5 out of 17 assignments used, quality = 1.00: * HB2 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 3.1=100 HB ILE 33 + QD1 LEU 57 OK 85 100 - 85 - 2.1/4614=17, 3.2/4221=17...(33) HG2 PRO 34 + QD1 LEU 57 OK 64 99 - 65 - ~4603=14, ~4605=11...(26) HB2 PRO 34 + QD1 LEU 57 OK 54 95 - 57 - ~4603=11, ~4605=10...(18) HB2 LEU 62 + QD1 LEU 57 OK 48 83 - 58 - 3.0/6069=23, 4.0/5739=7...(19) HB2 ARG 54 - QD1 LEU 57 OK 28 100 - 28 - 4.6/5730=9, ~5325=3...(10) HB2 LYS 32 - QD1 LEU 57 OK 17 99 - 18 - 2458/2.1=2, 2.9/4986=2...(6) HB3 LYS 32 - QD1 LEU 57 OK 17 99 - 18 - 2458/2.1=2, 2.9/4986=2...(6) HB3 LYS 73 - QD1 LEU 57 OK 16 97 - 16 - 4.3/2463=3, 2.9/2466=1...(6) HB2 LYS 13 - QD1 LEU 57 poor 9 76 - 11 - 4.8/4607=2, 3.0/2466=1 HB3 LYS 39 - QD1 LEU 57 lone 7 90 - 8 - ~5325=1 HG3 ARG 26 - QD1 LEU 57 lone 4 87 - 4 - HB3 ARG 82 - QD1 LEU 57 lone 3 100 - 3 - HG3 ARG 71 - QD1 LEU 57 lone 3 92 - 3 - HB3 LYS 75 - QD1 LEU 57 lone 3 81 - 3 - HB2 LYS 83 - QD1 LEU 57 lone 2 92 - 2 - HB3 ARG 17 - QD1 LEU 57 lone 2 76 - 2 - Peak 2466 from cnoeabs.peaks (1.47, 1.00, 27.02 ppm; 3.89 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 3.1=100 HB3 LEU 52 + QD1 LEU 57 OK 86 100 - 87 - 3.1/4613=29, 3.0/4551=22...(22) HG12 ILE 33 + QD1 LEU 57 OK 65 73 - 89 - 2.1/4221=24, 3.2/4614=18...(31) QB ALA 63 - QD1 LEU 57 OK 19 87 - 22 - 2459/2.1=2, 5787/5739=2...(13) HG2 LYS 73 - QD1 LEU 57 OK 18 97 - 18 - 2459/2.1=2, 2452/2.1=2...(6) HG3 LYS 13 - QD1 LEU 57 OK 17 96 - 17 - 2459/2.1=2, ~4985=2...(6) QB ALA 30 - QD1 LEU 57 poor 9 76 - 13 - 2459/2.1=1, 228/4.8=1...(5) HG13 ILE 89 - QD1 LEU 57 poor 6 60 - 10 - 1668/4614=2, 1671/2.1=1 HG3 LYS 85 - QD1 LEU 57 lone 4 92 - 4 - Peak 2467 from cnoeabs.peaks (1.95, 1.00, 27.02 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 2.1=100 HB2 MET 31 + QD1 LEU 57 OK 50 85 - 59 - 6120/2.1=9, ~4846=7...(19) HB2 LEU 64 - QD1 LEU 57 OK 33 89 - 38 - 5025/2.1=8, ~5026=7...(16) HB2 ARG 70 - QD1 LEU 57 OK 13 100 - 13 - 2460/2.1=2, 2439/3.1=2...(4) HB3 ARG 70 - QD1 LEU 57 OK 13 100 - 13 - 2460/2.1=2, 2439/3.1=2...(4) HB3 ARG 66 - QD1 LEU 57 lone 8 95 - 9 - 2460/2.1=1 HB VAL 41 - QD1 LEU 57 poor 8 71 - 12 - ~4904=2, 2460/2.1=1...(5) HB2 GLN 79 - QD1 LEU 57 lone 4 96 - 4 - Peak 2468 from cnoeabs.peaks (0.71, 1.00, 27.02 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 84 100 - 84 - 4221=24, 2454/2.1=13...(37) Peak 2469 from cnoeabs.peaks (1.00, 1.00, 27.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + QD1 LEU 57 OK 100 100 - 100 Peak 2470 from cnoeabs.peaks (9.06, 4.43, 60.59 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + HA THR 58 OK 100 100 - 100 - 3.0=100 Peak 2471 from cnoeabs.peaks (4.43, 4.43, 60.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 58 + HA THR 58 OK 100 100 - 100 Peak 2472 from cnoeabs.peaks (4.76, 4.43, 60.59 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB THR 58 + HA THR 58 OK 100 100 - 100 - 3.0=100 HA LEU 57 + HA THR 58 OK 53 100 - 53 - 4.7=28, 697/3.0=13...(9) Peak 2473 from cnoeabs.peaks (1.31, 4.43, 60.59 ppm; 3.20 A): 1 out of 8 assignments used, quality = 0.99: * QG2 THR 58 + HA THR 58 OK 99 100 - 99 - 3.2=99, 2478/3.0=25...(7) HG3 LYS 32 - HA THR 58 lone 8 90 - 9 - 4.9/90=2, 698/3.0=2 HG2 ARG 54 - HA THR 58 lone 7 99 - 7 - 698/3.0=2, 235/3.6=1 HB2 LEU 51 - HA THR 58 lone 6 98 - 6 - 698/3.0=2, 235/3.6=1 HB2 LEU 52 - HA THR 58 lone 5 76 - 7 - 698/3.0=2, ~228=2 HG2 LYS 32 - HA THR 58 lone 4 60 - 7 - 4.9/90=2 QB ALA 28 - HA THR 58 lone 4 68 - 6 - 698/3.0=2, ~5754=1 QB ALA 12 - HA THR 58 lone 1 83 - 1 - Peak 2475 from cnoeabs.peaks (4.43, 4.76, 70.49 ppm; 5.23 A): 2 out of 5 assignments used, quality = 1.00: * HA THR 58 + HB THR 58 OK 100 100 - 100 - 3.0=100 HA MET 31 + HB THR 58 OK 48 96 - 51 - 696/4.1=11, 2479/2.1=11...(9) HA SER 22 - HB THR 58 lone 8 92 - 8 - 2479/2.1=1, 696/4.1=1, 233/4.7=1 HA PRO 14 - HB THR 58 lone 3 78 - 4 - HA TYR 81 - HB THR 58 lone 2 65 - 3 - Peak 2476 from cnoeabs.peaks (4.76, 4.76, 70.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 58 + HB THR 58 OK 100 100 - 100 Peak 2477 from cnoeabs.peaks (1.31, 4.76, 70.49 ppm; 6.50 A): 1 out of 8 assignments used, quality = 1.00: * QG2 THR 58 + HB THR 58 OK 100 100 - 100 - 2.1=100 HB2 LEU 51 - HB THR 58 OK 23 98 - 23 - 235/4.7=4, 698/4.1=3...(11) HG2 ARG 54 - HB THR 58 OK 22 99 - 22 - 698/4.1=4, 235/4.7=3...(9) HG3 LYS 32 - HB THR 58 OK 19 90 - 21 - 698/4.1=4, 2473/3.0=3...(6) HB2 LEU 52 - HB THR 58 OK 16 76 - 21 - 698/4.1=4, 2473/3.0=2...(9) QB ALA 28 - HB THR 58 OK 10 68 - 15 - 698/4.1=3, 4178/2457=2...(6) HG2 LYS 32 - HB THR 58 poor 10 60 - 16 - ~2473=3, 2473/3.0=2...(4) QB ALA 12 - HB THR 58 lone 5 83 - 6 - Peak 2478 from cnoeabs.peaks (9.06, 1.31, 21.61 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.78: * H THR 58 + QG2 THR 58 OK 78 100 - 78 - 4.0=54, 3.0/2473=19...(10) Peak 2479 from cnoeabs.peaks (4.43, 1.31, 21.61 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 58 + QG2 THR 58 OK 100 100 - 100 - 3.2=100 HA MET 31 - QG2 THR 58 OK 31 96 - 32 - 4.2/4627=5, 696/4.0=5...(12) HA SER 22 - QG2 THR 58 lone 3 92 - 3 - HA PRO 14 - QG2 THR 58 lone 1 78 - 1 - HA TYR 81 - QG2 THR 58 lone 1 65 - 1 - Peak 2480 from cnoeabs.peaks (4.76, 1.31, 21.61 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 58 + QG2 THR 58 OK 100 100 - 100 - 2.1=100 HA LEU 57 - QG2 THR 58 OK 37 100 - 37 - 3.6/2478=18, 4.7/2473=8...(7) Peak 2481 from cnoeabs.peaks (1.31, 1.31, 21.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 58 + QG2 THR 58 OK 100 100 - 100 Peak 2482 from cnoeabs.peaks (9.11, 4.04, 60.18 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + HA GLU 59 OK 100 100 - 100 - 2.9=100 Peak 2483 from cnoeabs.peaks (4.04, 4.04, 60.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 59 + HA GLU 59 OK 100 100 - 100 Peak 2484 from cnoeabs.peaks (2.09, 4.04, 60.18 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: HB3 GLU 59 + HA GLU 59 OK 100 100 - 100 - 3.0=100 * HB2 GLU 59 + HA GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HA GLU 59 OK 27 100 - 27 - 2.3/2091=4, 2.3/2084=4...(9) HB3 MET 31 - HA GLU 59 lone 7 81 - 9 - 3.0/4991=2, 702/2.9=2, ~233=1 HG3 PRO 36 - HA GLU 59 lone 6 100 - 6 - HG2 PRO 36 - HA GLU 59 lone 6 100 - 6 - HB2 PRO 56 - HA GLU 59 lone 3 100 - 3 - HG3 PRO 56 - HA GLU 59 lone 3 100 - 3 - HB VAL 45 - HA GLU 59 lone 1 68 - 1 - Peak 2485 from cnoeabs.peaks (2.09, 4.04, 60.18 ppm; 3.15 A): 2 out of 9 assignments used, quality = 1.00: * HB3 GLU 59 + HA GLU 59 OK 100 100 - 100 - 3.0=100 HB2 GLU 59 + HA GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HA GLU 59 OK 27 100 - 27 - 2.3/2091=4, 2.3/2084=4...(9) HB3 MET 31 - HA GLU 59 lone 7 81 - 9 - 3.0/4991=2, 702/2.9=2, ~233=1 HG3 PRO 36 - HA GLU 59 lone 6 100 - 6 - HG2 PRO 36 - HA GLU 59 lone 6 100 - 6 - HB2 PRO 56 - HA GLU 59 lone 3 100 - 3 - HG3 PRO 56 - HA GLU 59 lone 3 100 - 3 - HB VAL 45 - HA GLU 59 lone 1 68 - 1 - Peak 2486 from cnoeabs.peaks (2.40, 4.04, 60.18 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.96: * HG2 GLU 59 + HA GLU 59 OK 96 100 - 96 - 4.2=86, 1.8/2487=29...(10) HB VAL 65 - HA GLU 59 OK 10 97 - 11 - 4998/4677=2, 703/2.9=2 HG3 MET 11 - HA GLU 59 lone 5 99 - 5 - 703/2.9=1 HG2 GLU 50 - HA GLU 59 lone 4 63 - 6 - 2501=1, 2500/2.9=1 Peak 2487 from cnoeabs.peaks (2.32, 4.04, 60.18 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.98: * HG3 GLU 59 + HA GLU 59 OK 98 100 - 98 - 4.2=92, 1.8/2486=32...(9) HG3 GLU 25 - HA GLU 59 poor 9 78 - 11 - 2507=3, 2506/2.9=2...(6) HG3 GLN 79 - HA GLU 59 lone 8 100 - 8 - 704/2.9=2, ~704=1 HG2 GLN 79 - HA GLU 59 lone 8 100 - 8 - 704/2.9=2, ~704=1 Peak 2488 from cnoeabs.peaks (9.11, 2.09, 28.98 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: H GLU 59 + HB3 GLU 59 OK 94 100 - 94 - 4.0=80, 703/3.0=23...(11) * H GLU 59 + HB2 GLU 59 OK 94 100 - 94 - 4.0=80, 703/3.0=23...(11) Peak 2489 from cnoeabs.peaks (4.04, 2.09, 28.98 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 * HA GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 HD2 PRO 44 - HB3 GLU 59 OK 41 99 - 41 - 2501/3.0=4, 2507/3.0=4...(21) HD2 PRO 44 - HB2 GLU 59 OK 41 99 - 41 - 2501/3.0=4, 2507/3.0=4...(21) HA ALA 63 - HB3 GLU 59 OK 11 89 - 13 - ~6099=4, 237/4.6=3...(6) HA ALA 63 - HB2 GLU 59 OK 11 89 - 13 - ~6099=4, 237/4.6=3...(6) HA PHE 48 - HB2 GLU 59 lone 5 90 - 5 - HA PHE 48 - HB3 GLU 59 lone 5 90 - 5 - HA ARG 26 - HB2 GLU 59 lone 2 73 - 2 - HA ARG 26 - HB3 GLU 59 lone 2 73 - 2 - Peak 2490 from cnoeabs.peaks (2.09, 2.09, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 * HB2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 Peak 2491 from cnoeabs.peaks (2.09, 2.09, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 HB2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 Reference assignment not found: HB3 GLU 59 - HB2 GLU 59 Peak 2492 from cnoeabs.peaks (2.40, 2.09, 28.98 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 HG2 GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 HB VAL 65 - HB2 GLU 59 lone 7 97 - 7 - 2486/3.0=2, 703/4.0=1 HB VAL 65 - HB3 GLU 59 lone 7 97 - 7 - 2486/3.0=2, 703/4.0=1 HG3 MET 11 - HB2 GLU 59 lone 4 99 - 4 - 2486/3.0=1 HG3 MET 11 - HB3 GLU 59 lone 4 99 - 4 - 2486/3.0=1 HG2 GLU 50 - HB2 GLU 59 lone 4 63 - 6 - HG2 GLU 50 - HB3 GLU 59 lone 4 63 - 6 - Peak 2493 from cnoeabs.peaks (2.32, 2.09, 28.98 ppm; 3.50 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 HG3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 - HB2 GLU 59 poor 8 78 - 10 - 2487/3.0=2, 2505/3.0=2...(5) HG3 GLU 25 - HB3 GLU 59 poor 8 78 - 10 - 2487/3.0=2, 2505/3.0=2...(5) HG3 GLN 79 - HB2 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG3 GLN 79 - HB3 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG2 GLN 79 - HB2 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG2 GLN 79 - HB3 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 Peak 2494 from cnoeabs.peaks (9.11, 2.09, 28.98 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 59 + HB3 GLU 59 OK 94 100 - 94 - 4.0=80, 703/3.0=23...(11) H GLU 59 + HB2 GLU 59 OK 94 100 - 94 - 4.0=80, 703/3.0=23...(11) Peak 2495 from cnoeabs.peaks (4.04, 2.09, 28.98 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 HA GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 HD2 PRO 44 - HB3 GLU 59 OK 41 99 - 41 - 2501/3.0=4, 2507/3.0=4...(21) HD2 PRO 44 - HB2 GLU 59 OK 41 99 - 41 - 2501/3.0=4, 2507/3.0=4...(21) HA ALA 63 - HB3 GLU 59 OK 11 89 - 13 - ~6099=4, 237/4.6=3...(6) HA ALA 63 - HB2 GLU 59 OK 11 89 - 13 - ~6099=4, 237/4.6=3...(6) HA PHE 48 - HB2 GLU 59 lone 5 90 - 5 - HA PHE 48 - HB3 GLU 59 lone 5 90 - 5 - HA ARG 26 - HB2 GLU 59 lone 2 73 - 2 - HA ARG 26 - HB3 GLU 59 lone 2 73 - 2 - Peak 2496 from cnoeabs.peaks (2.09, 2.09, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 HB2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 Reference assignment not found: HB2 GLU 59 - HB3 GLU 59 Peak 2497 from cnoeabs.peaks (2.09, 2.09, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 HB2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 Peak 2498 from cnoeabs.peaks (2.40, 2.09, 28.98 ppm; 3.82 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 * HG2 GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 HB VAL 65 - HB2 GLU 59 lone 7 97 - 7 - 2486/3.0=2, 703/4.0=1 HB VAL 65 - HB3 GLU 59 lone 7 97 - 7 - 2486/3.0=2, 703/4.0=1 HG3 MET 11 - HB2 GLU 59 lone 4 99 - 4 - 2486/3.0=1 HG3 MET 11 - HB3 GLU 59 lone 4 99 - 4 - 2486/3.0=1 HG2 GLU 50 - HB2 GLU 59 lone 4 63 - 6 - HG2 GLU 50 - HB3 GLU 59 lone 4 63 - 6 - Peak 2499 from cnoeabs.peaks (2.32, 2.09, 28.98 ppm; 3.50 A): 2 out of 8 assignments used, quality = 1.00: HG3 GLU 59 + HB2 GLU 59 OK 100 100 - 100 - 3.0=100 * HG3 GLU 59 + HB3 GLU 59 OK 100 100 - 100 - 3.0=100 HG3 GLU 25 - HB2 GLU 59 poor 8 78 - 10 - 2487/3.0=2, 2505/3.0=2...(5) HG3 GLU 25 - HB3 GLU 59 poor 8 78 - 10 - 2487/3.0=2, 2505/3.0=2...(5) HG3 GLN 79 - HB2 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG3 GLN 79 - HB3 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG2 GLN 79 - HB2 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 HG2 GLN 79 - HB3 GLU 59 lone 6 100 - 6 - 2487/3.0=2, 704/4.0=1 Peak 2500 from cnoeabs.peaks (9.11, 2.40, 36.01 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.93: * H GLU 59 + HG2 GLU 59 OK 93 100 - 94 - 4.9=69, 2506/1.8=35...(7) H GLU 59 - HG2 GLU 50 lone 4 63 - 6 - 703=2, 2.9/2486=1 Peak 2501 from cnoeabs.peaks (4.04, 2.40, 36.01 ppm; 4.08 A): 1 out of 10 assignments used, quality = 0.98: * HA GLU 59 + HG2 GLU 59 OK 98 100 - 98 - 4.2=92, 2487/1.8=30...(10) HD2 PRO 44 - HG2 GLU 59 OK 30 99 - 30 - 2507/1.8=6, 2495/3.0=4...(12) HA ALA 63 - HG2 GLU 59 lone 8 89 - 9 - 700/4.9=2, 2507/1.8=1...(4) HA PHE 48 - HG2 GLU 50 poor 6 51 - 11 - 5290/4.9=7, ~4457=2 HD2 PRO 44 - HG2 GLU 50 lone 5 60 - 8 - 2047/3.0=1, 2047/3.0=1 HA GLU 59 - HG2 GLU 50 lone 4 63 - 7 - 2486=2, 2.9/2500=1 HA PHE 48 - HG2 GLU 59 lone 4 90 - 5 - HA ARG 26 - HG2 GLU 59 lone 2 73 - 3 - HA ALA 63 - HG2 GLU 50 lone 2 50 - 5 - 3.6/4698=2 HA ARG 26 - HG2 GLU 50 lone 1 39 - 2 - Peak 2502 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 18 assignments used, quality = 1.00: HB3 GLU 59 + HG2 GLU 59 OK 100 100 - 100 - 3.0=100 * HB2 GLU 59 + HG2 GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG2 GLU 59 OK 18 100 - 18 - 3.0/2501=3, 2509/1.8=2...(7) HG2 PRO 36 - HG2 GLU 59 lone 4 100 - 4 - HG3 PRO 36 - HG2 GLU 59 lone 4 100 - 4 - HB3 MET 31 - HG2 GLU 50 lone 3 44 - 8 - ~4512=1 HB2 PRO 56 - HG2 GLU 59 lone 3 100 - 3 - HG3 PRO 56 - HG2 GLU 59 lone 3 100 - 3 - HB3 PRO 44 - HG2 GLU 50 lone 3 63 - 5 - HB2 GLU 59 - HG2 GLU 50 lone 3 63 - 4 - HB3 GLU 59 - HG2 GLU 50 lone 3 63 - 4 - HB3 MET 31 - HG2 GLU 59 lone 2 81 - 3 - HB2 PRO 56 - HG2 GLU 50 lone 1 62 - 2 - HG3 PRO 56 - HG2 GLU 50 lone 1 63 - 1 - HB VAL 45 - HG2 GLU 59 lone 1 68 - 1 - HG2 PRO 36 - HG2 GLU 50 lone 0 63 - 1 - HG3 PRO 36 - HG2 GLU 50 lone 0 62 - 1 - HB VAL 45 - HG2 GLU 50 lone 0 36 - 1 - Peak 2503 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLU 59 + HG2 GLU 59 OK 100 100 - 100 - 3.0=100 HB2 GLU 59 + HG2 GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG2 GLU 59 OK 18 100 - 18 - 3.0/2501=3, 2509/1.8=2...(7) HG2 PRO 36 - HG2 GLU 59 lone 4 100 - 4 - HG3 PRO 36 - HG2 GLU 59 lone 4 100 - 4 - HB3 MET 31 - HG2 GLU 50 lone 3 44 - 8 - ~4512=1 HB2 PRO 56 - HG2 GLU 59 lone 3 100 - 3 - HG3 PRO 56 - HG2 GLU 59 lone 3 100 - 3 - HB3 PRO 44 - HG2 GLU 50 lone 3 63 - 5 - HB2 GLU 59 - HG2 GLU 50 lone 3 63 - 4 - HB3 GLU 59 - HG2 GLU 50 lone 3 63 - 4 - HB3 MET 31 - HG2 GLU 59 lone 2 81 - 3 - HB2 PRO 56 - HG2 GLU 50 lone 1 62 - 2 - HG3 PRO 56 - HG2 GLU 50 lone 1 63 - 1 - HB VAL 45 - HG2 GLU 59 lone 1 68 - 1 - HG2 PRO 36 - HG2 GLU 50 lone 0 63 - 1 - HG3 PRO 36 - HG2 GLU 50 lone 0 62 - 1 - HB VAL 45 - HG2 GLU 50 lone 0 36 - 1 - Peak 2504 from cnoeabs.peaks (2.40, 2.40, 36.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + HG2 GLU 59 OK 100 100 - 100 HG2 GLU 50 - HG2 GLU 50 OK 32 32 - 100 Peak 2505 from cnoeabs.peaks (2.32, 2.40, 36.01 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 59 + HG2 GLU 59 OK 100 100 - 100 - 1.8=100 HG3 GLU 25 - HG2 GLU 59 lone 5 78 - 6 - 2510=2 HG2 GLN 79 - HG2 GLU 59 lone 2 100 - 2 - HG3 GLN 79 - HG2 GLU 59 lone 2 100 - 2 - HG3 GLU 59 - HG2 GLU 50 lone 2 63 - 3 - HG3 GLU 25 - HG2 GLU 50 lone 1 42 - 2 - HG3 GLN 79 - HG2 GLU 50 lone 0 62 - 0 - HG2 GLN 79 - HG2 GLU 50 lone 0 62 - 0 - Peak 2506 from cnoeabs.peaks (9.11, 2.32, 36.01 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.94: * H GLU 59 + HG3 GLU 59 OK 94 100 - 94 - 4.9=70, 703/1.8=38...(7) H GLU 59 - HG3 GLU 25 poor 8 77 - 11 - 704=3, 2.9/2487=2...(5) Peak 2507 from cnoeabs.peaks (4.04, 2.32, 36.01 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.97: * HA GLU 59 + HG3 GLU 59 OK 97 100 - 97 - 4.2=89, 2486/1.8=32...(9) HD2 PRO 44 - HG3 GLU 59 OK 29 99 - 30 - 2501/1.8=7, 2495/3.0=4...(13) HA ARG 26 - HG3 GLU 25 OK 18 49 - 37 - ~58=11, 3.0/3746=5...(10) HA GLU 59 - HG3 GLU 25 poor 9 77 - 12 - 2487=3, 2.9/2506=2...(6) HD2 PRO 44 - HG3 GLU 25 lone 7 75 - 9 - 5085/5.0=2, 2047/3.0=1 HA ALA 63 - HG3 GLU 59 lone 6 89 - 7 - 2501/1.8=2, 700/4.9=2...(4) HA PHE 48 - HG3 GLU 59 lone 4 90 - 4 - HA ARG 26 - HG3 GLU 59 lone 2 73 - 3 - HA PHE 48 - HG3 GLU 25 lone 2 64 - 3 - HA ALA 63 - HG3 GLU 25 lone 1 62 - 1 - Peak 2508 from cnoeabs.peaks (2.09, 2.32, 36.01 ppm; 3.18 A): 2 out of 18 assignments used, quality = 1.00: HB3 GLU 59 + HG3 GLU 59 OK 100 100 - 100 - 3.0=100 * HB2 GLU 59 + HG3 GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG3 GLU 59 OK 17 100 - 17 - 3.0/2507=3, 2502/1.8=2...(4) HB3 GLU 59 - HG3 GLU 25 lone 7 77 - 9 - 3.0/2505=1, 2499=1...(5) HB2 GLU 59 - HG3 GLU 25 lone 7 77 - 9 - 3.0/2505=1, 2499=1...(5) HG2 PRO 36 - HG3 GLU 59 lone 4 100 - 3 - HG3 PRO 36 - HG3 GLU 59 lone 4 100 - 3 - HB2 PRO 56 - HG3 GLU 59 lone 3 100 - 3 - HB2 PRO 56 - HG3 GLU 25 lone 3 77 - 4 - HB3 PRO 44 - HG3 GLU 25 lone 3 77 - 4 - HG3 PRO 56 - HG3 GLU 59 lone 3 100 - 3 - HB3 MET 31 - HG3 GLU 59 lone 2 81 - 3 - HG3 PRO 56 - HG3 GLU 25 lone 2 77 - 3 - HB3 MET 31 - HG3 GLU 25 lone 1 55 - 2 - HG2 PRO 36 - HG3 GLU 25 lone 1 77 - 1 - HG3 PRO 36 - HG3 GLU 25 lone 1 76 - 1 - HB VAL 45 - HG3 GLU 59 lone 1 68 - 1 - HB VAL 45 - HG3 GLU 25 lone 0 45 - 1 - Peak 2509 from cnoeabs.peaks (2.09, 2.32, 36.01 ppm; 3.18 A): 2 out of 18 assignments used, quality = 1.00: * HB3 GLU 59 + HG3 GLU 59 OK 100 100 - 100 - 3.0=100 HB2 GLU 59 + HG3 GLU 59 OK 100 100 - 100 - 3.0=100 HB3 PRO 44 - HG3 GLU 59 OK 17 100 - 17 - 3.0/2507=3, 2502/1.8=2...(4) HB3 GLU 59 - HG3 GLU 25 lone 7 77 - 9 - 3.0/2505=1, 2499=1...(5) HB2 GLU 59 - HG3 GLU 25 lone 7 77 - 9 - 3.0/2505=1, 2499=1...(5) HG2 PRO 36 - HG3 GLU 59 lone 4 100 - 3 - HG3 PRO 36 - HG3 GLU 59 lone 4 100 - 3 - HB2 PRO 56 - HG3 GLU 59 lone 3 100 - 3 - HB2 PRO 56 - HG3 GLU 25 lone 3 77 - 4 - HB3 PRO 44 - HG3 GLU 25 lone 3 77 - 4 - HG3 PRO 56 - HG3 GLU 59 lone 3 100 - 3 - HB3 MET 31 - HG3 GLU 59 lone 2 81 - 3 - HG3 PRO 56 - HG3 GLU 25 lone 2 77 - 3 - HB3 MET 31 - HG3 GLU 25 lone 1 55 - 2 - HG2 PRO 36 - HG3 GLU 25 lone 1 77 - 1 - HG3 PRO 36 - HG3 GLU 25 lone 1 76 - 1 - HB VAL 45 - HG3 GLU 59 lone 1 68 - 1 - HB VAL 45 - HG3 GLU 25 lone 0 45 - 1 - Peak 2510 from cnoeabs.peaks (2.40, 2.32, 36.01 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 59 + HG3 GLU 59 OK 100 100 - 100 - 1.8=100 HG2 GLU 59 - HG3 GLU 25 lone 5 77 - 6 - 2505=2 HB VAL 65 - HG3 GLU 59 lone 3 97 - 3 - HG2 GLU 50 - HG3 GLU 59 lone 2 63 - 3 - HG3 MET 11 - HG3 GLU 59 lone 2 99 - 1 - HG2 GLU 50 - HG3 GLU 25 lone 1 41 - 2 - HB VAL 65 - HG3 GLU 25 lone 0 72 - 0 - HG3 MET 11 - HG3 GLU 25 lone 0 74 - 0 - Peak 2511 from cnoeabs.peaks (2.32, 2.32, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 59 + HG3 GLU 59 OK 100 100 - 100 HG3 GLU 25 + HG3 GLU 25 OK 53 53 - 100 Peak 2512 from cnoeabs.peaks (8.51, 4.28, 61.17 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 H ARG 23 - HA SER 60 lone 6 95 - 6 - 242/3.6=2 Peak 2513 from cnoeabs.peaks (4.28, 4.28, 61.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 60 + HA SER 60 OK 100 100 - 100 Peak 2514 from cnoeabs.peaks (3.84, 4.28, 61.17 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HD2 PRO 36 - HA SER 60 lone 5 57 - 8 - 2.3/4997=2, 2.3/4997=2 Peak 2515 from cnoeabs.peaks (3.84, 4.28, 61.17 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HD2 PRO 36 - HA SER 60 lone 5 57 - 8 - 2.3/4997=2, 2.3/4997=2 Peak 2516 from cnoeabs.peaks (8.51, 3.84, 62.16 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.8=100 H SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.8=100 H ARG 23 - HB2 SER 60 lone 4 95 - 4 - 242/4.4=2, 2512/3.0=2 H ARG 23 - HB3 SER 60 lone 4 95 - 4 - 242/4.4=2, 2512/3.0=2 Peak 2517 from cnoeabs.peaks (4.28, 3.84, 62.16 ppm; 3.55 A): 2 out of 20 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.0=100 HA LEU 64 - HB3 SER 60 OK 12 87 - 14 - 4.9/5756=4, 243/4.4=3...(7) HA LEU 64 - HB2 SER 60 OK 12 87 - 14 - 4.9/5756=4, 243/4.4=3...(7) HA ASP 38 - HB2 SER 60 lone 3 100 - 3 - 243/4.4=1 HA ASP 38 - HB3 SER 60 lone 3 100 - 3 - 243/4.4=1 HA ARG 17 - HB3 SER 60 lone 2 100 - 2 - HA ARG 17 - HB2 SER 60 lone 2 100 - 2 - HA THR 88 - HB2 SER 60 lone 2 100 - 2 - HA THR 88 - HB3 SER 60 lone 2 100 - 2 - HA ALA 20 - HB3 SER 60 lone 1 89 - 1 - HA ALA 20 - HB2 SER 60 lone 1 89 - 1 - HA ALA 12 - HB3 SER 60 lone 1 83 - 1 - HA ALA 12 - HB2 SER 60 lone 1 83 - 1 - HA LEU 86 - HB2 SER 60 lone 1 73 - 2 - HA LEU 86 - HB3 SER 60 lone 1 73 - 2 - HA LYS 39 - HB2 SER 60 lone 1 63 - 2 - HA LYS 39 - HB3 SER 60 lone 1 63 - 2 - HA GLU 19 - HB3 SER 60 lone 1 81 - 1 - HA GLU 19 - HB2 SER 60 lone 1 81 - 1 - Peak 2518 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 * HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 2519 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB3 SER 60 - HB2 SER 60 Peak 2520 from cnoeabs.peaks (8.51, 3.84, 62.16 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.8=100 * H SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.8=100 H ARG 23 - HB2 SER 60 lone 4 95 - 4 - 242/4.4=2, 2512/3.0=2 H ARG 23 - HB3 SER 60 lone 4 95 - 4 - 242/4.4=2, 2512/3.0=2 Peak 2521 from cnoeabs.peaks (4.28, 3.84, 62.16 ppm; 3.55 A): 2 out of 20 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.0=100 HA LEU 64 - HB3 SER 60 OK 12 87 - 14 - 4.9/5756=4, 243/4.4=3...(7) HA LEU 64 - HB2 SER 60 OK 12 87 - 14 - 4.9/5756=4, 243/4.4=3...(7) HA ASP 38 - HB2 SER 60 lone 3 100 - 3 - 243/4.4=1 HA ASP 38 - HB3 SER 60 lone 3 100 - 3 - 243/4.4=1 HA ARG 17 - HB3 SER 60 lone 2 100 - 2 - HA ARG 17 - HB2 SER 60 lone 2 100 - 2 - HA THR 88 - HB2 SER 60 lone 2 100 - 2 - HA THR 88 - HB3 SER 60 lone 2 100 - 2 - HA ALA 20 - HB3 SER 60 lone 1 89 - 1 - HA ALA 20 - HB2 SER 60 lone 1 89 - 1 - HA ALA 12 - HB3 SER 60 lone 1 83 - 1 - HA ALA 12 - HB2 SER 60 lone 1 83 - 1 - HA LEU 86 - HB2 SER 60 lone 1 73 - 2 - HA LEU 86 - HB3 SER 60 lone 1 73 - 2 - HA LYS 39 - HB2 SER 60 lone 1 63 - 2 - HA LYS 39 - HB3 SER 60 lone 1 63 - 2 - HA GLU 19 - HB3 SER 60 lone 1 81 - 1 - HA GLU 19 - HB2 SER 60 lone 1 81 - 1 - Peak 2522 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB2 SER 60 - HB3 SER 60 Peak 2523 from cnoeabs.peaks (3.84, 3.84, 62.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 2524 from cnoeabs.peaks (7.68, 3.96, 59.26 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.0=100 H TYR 55 - HA GLN 61 OK 34 99 - 34 - 246/3.6=6, 2532/3.0=5...(12) H MET 31 - HA GLN 61 OK 33 71 - 47 - 559/3.0=7, 4193=5...(16) H GLN 61 - HA GLU 50 OK 25 97 - 26 - 710=5, 4.0/2526=3...(10) H TYR 55 - HA GLU 50 OK 17 94 - 19 - 210/3.6=8, 4973/4509=3...(4) H MET 31 - HA GLU 50 OK 14 65 - 22 - 4193=3, 4.0/4203=2...(12) Peak 2525 from cnoeabs.peaks (3.96, 3.96, 59.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 61 + HA GLN 61 OK 100 100 - 100 HA GLU 50 + HA GLU 50 OK 97 97 - 100 Peak 2526 from cnoeabs.peaks (2.53, 3.96, 59.26 ppm; 4.16 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.0=100 HG3 MET 31 + HA GLN 61 OK 86 100 - 86 - 711/3.0=14, 2542/3.0=14...(30) HB2 GLN 61 - HA GLU 50 OK 40 97 - 41 - 3.0/2529=5, 2533=5...(13) HG3 MET 31 - HA GLU 50 OK 36 97 - 37 - 4202=4, 1548/3.0=4...(14) HB2 ASP 24 - HA GLN 61 OK 14 63 - 22 - 1.8/2528=3, ~2544=2...(12) HB3 ASP 46 - HA GLU 50 poor 10 74 - 13 - ~4507=7, ~184=4 HB3 ASP 46 - HA GLN 61 poor 9 81 - 10 - 2542/3.0=1, 2550/4.0=1...(4) HB2 ASP 24 - HA GLU 50 lone 3 57 - 5 - ~4507=2 Peak 2527 from cnoeabs.peaks (1.66, 3.96, 59.26 ppm; 3.85 A): 1 out of 20 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.0=100 HB3 GLN 61 - HA GLU 50 OK 32 97 - 33 - 2541=5, 3.0/2529=5...(11) HG LEU 29 - HA GLN 61 OK 21 92 - 23 - 249/3.6=6, 712/3.0=3...(9) HD3 LYS 75 - HA GLN 61 OK 21 100 - 21 - 2535/3.0=2, 712/3.0=2...(11) HD2 LYS 75 - HA GLN 61 OK 21 100 - 21 - 2535/3.0=2, 712/3.0=2...(11) HD3 LYS 13 - HA GLN 61 OK 20 99 - 20 - 2535/3.0=3, 2559/4.0=2...(9) HD2 LYS 13 - HA GLN 61 OK 20 99 - 20 - 2535/3.0=3, 2559/4.0=2...(9) HB3 LYS 13 - HA GLN 61 poor 8 78 - 10 - 2535/3.0=1 HG2 ARG 23 - HA GLN 61 lone 8 97 - 8 - 712/3.0=1, 2535/3.0=1 HG LEU 29 - HA GLU 50 lone 5 86 - 6 - 2.1/4504=1 HD3 LYS 75 - HA GLU 50 lone 5 96 - 5 - HD2 LYS 75 - HA GLU 50 lone 5 96 - 5 - HD3 LYS 13 - HA GLU 50 lone 2 95 - 2 - HD2 LYS 13 - HA GLU 50 lone 2 95 - 2 - HG3 ARG 27 - HA GLN 61 lone 2 65 - 3 - HG2 ARG 27 - HA GLN 61 lone 2 63 - 3 - HG2 ARG 23 - HA GLU 50 lone 1 91 - 1 - HB3 LYS 13 - HA GLU 50 lone 1 72 - 2 - HG3 ARG 27 - HA GLU 50 lone 1 60 - 1 - HG2 ARG 27 - HA GLU 50 lone 1 57 - 1 - Peak 2528 from cnoeabs.peaks (2.60, 3.96, 59.26 ppm; 4.04 A): 2 out of 12 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 - 100 - 4.0=100 HG2 MET 31 + HA GLN 61 OK 58 73 - 80 - 3.3/5232=11, 1.8/2526=10...(28) HB3 ASP 47 - HA GLU 50 OK 31 91 - 34 - ~4506=10, ~4454=8...(8) HG2 GLN 61 - HA GLU 50 OK 31 97 - 32 - 1.8/2529=7, 2549=5...(9) HG2 MET 31 - HA GLU 50 OK 22 67 - 33 - 1.8/2526=4, 3.3/5232=3...(14) HB3 ASP 24 - HA GLN 61 OK 20 95 - 21 - 2544/3.0=3, 2536/3.0=3...(9) HB3 ASP 47 - HA GLN 61 OK 14 97 - 14 - 2544/3.0=2, 2536/3.0=2...(7) HB2 ASP 38 - HA GLN 61 OK 14 83 - 16 - 250/3.6=2, 713/3.0=2...(8) HB3 ASP 38 - HA GLN 61 OK 13 81 - 16 - 250/3.6=2, 713/3.0=2...(7) HB3 ASP 24 - HA GLU 50 lone 5 89 - 5 - ~4507=2 HB2 ASP 38 - HA GLU 50 lone 2 76 - 3 - HB3 ASP 38 - HA GLU 50 lone 2 74 - 3 - Peak 2529 from cnoeabs.peaks (2.16, 3.96, 59.26 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.94: * HG3 GLN 61 + HA GLN 61 OK 88 100 - 88 - 4.0=75, 714/3.0=19...(13) HG3 PRO 44 + HA GLN 61 OK 31 81 - 38 - 2545/3.0=8, 2537/3.0=7...(9) HG3 GLN 61 + HA GLU 50 OK 23 97 - 24 - 2557=4, 3.0/2526=3...(9) HG3 PRO 44 - HA GLU 50 lone 7 74 - 9 - Peak 2532 from cnoeabs.peaks (7.68, 2.53, 30.35 ppm; 4.49 A): 3 out of 3 assignments used, quality = 1.00: * H GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 4.0=100 H MET 31 + HB2 GLN 61 OK 51 71 - 73 - 3.0/1529=15, 559=14...(15) H TYR 55 + HB2 GLN 61 OK 47 99 - 47 - 2540/1.8=9, 2548/3.0=8...(11) Peak 2533 from cnoeabs.peaks (3.96, 2.53, 30.35 ppm; 4.49 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HA GLU 50 + HB2 GLN 61 OK 47 100 - 47 - 2526=7, 2529/3.0=6...(13) HA ALA 28 - HB2 GLN 61 OK 43 99 - 43 - 2.1/5533=6, 2541/1.8=5...(19) HA2 GLY 21 - HB2 GLN 61 OK 32 95 - 34 - 5285/3.0=7, ~5285=5...(12) HA3 GLY 21 - HB2 GLN 61 OK 31 93 - 34 - 5285/3.0=7, ~5285=5...(12) HA LYS 32 - HB2 GLN 61 OK 27 96 - 29 - 2549/3.0=3, 2557/3.0=3...(10) HA THR 37 - HB2 GLN 61 OK 25 60 - 42 - 3.0/3902=9, ~3903=6...(12) HA VAL 76 - HB2 GLN 61 OK 19 100 - 19 - 2541/1.8=2, 2549/3.0=2...(9) HA ARG 66 - HB2 GLN 61 OK 18 96 - 19 - 247/4.6=2, ~740=2...(7) HA2 GLY 72 - HB2 GLN 61 OK 11 100 - 10 - 2541/1.8=1, 247/4.6=1, 710/4.0=1 Peak 2534 from cnoeabs.peaks (2.53, 2.53, 30.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 Peak 2535 from cnoeabs.peaks (1.66, 2.53, 30.35 ppm; 3.64 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 1.8=100 HD3 LYS 13 - HB2 GLN 61 OK 20 99 - 20 - 2559/3.0=2, 2551/3.0=2...(10) HD2 LYS 13 - HB2 GLN 61 OK 20 99 - 20 - 2559/3.0=2, 2551/3.0=2...(10) HD2 LYS 75 - HB2 GLN 61 OK 17 100 - 17 - 2559/3.0=2, 2551/3.0=2...(9) HD3 LYS 75 - HB2 GLN 61 OK 17 100 - 17 - 2559/3.0=2, 2551/3.0=2...(9) HG LEU 29 - HB2 GLN 61 OK 15 92 - 16 - 249/4.6=4, 2527/3.0=2...(6) HB3 LYS 13 - HB2 GLN 61 lone 8 78 - 10 - 3.0/4661=1 HG2 ARG 23 - HB2 GLN 61 lone 7 97 - 7 - 2551/3.0=1 HG3 ARG 27 - HB2 GLN 61 lone 2 65 - 3 - HG2 ARG 27 - HB2 GLN 61 lone 2 63 - 3 - Peak 2536 from cnoeabs.peaks (2.60, 2.53, 30.35 ppm; 5.16 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HG2 MET 31 + HB2 GLN 61 OK 70 73 - 96 - 3.0/1535=18, ~2542=16...(39) HB3 ASP 24 - HB2 GLN 61 OK 38 95 - 40 - 2544/1.8=6, 2560/3.0=5...(16) HB3 ASP 47 - HB2 GLN 61 OK 28 97 - 29 - 2544/1.8=4, ~2132=4...(12) HB2 ASP 38 - HB2 GLN 61 OK 19 83 - 23 - 250/4.6=3, 2544/1.8=3...(10) HB3 ASP 38 - HB2 GLN 61 OK 18 81 - 23 - 250/4.6=3, 2544/1.8=3...(10) Peak 2537 from cnoeabs.peaks (2.16, 2.53, 30.35 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 PRO 44 + HB2 GLN 61 OK 60 81 - 74 - 2545/1.8=15, 2553/3.0=14...(20) Peak 2540 from cnoeabs.peaks (7.68, 1.66, 30.35 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 4.0=100 H TYR 55 - HB3 GLN 61 OK 42 99 - 43 - 2532/1.8=9, 2548/3.0=8...(9) H MET 31 - HB3 GLN 61 OK 42 71 - 59 - 559/1.8=12, 4.7/2542=10...(14) Peak 2541 from cnoeabs.peaks (3.96, 1.66, 30.35 ppm; 4.19 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HA GLU 50 - HB3 GLN 61 OK 39 100 - 39 - 2527=6, 2529/3.0=6...(11) HA ALA 28 - HB3 GLN 61 OK 36 99 - 36 - ~5533=4, 2533/1.8=4...(15) HA2 GLY 21 - HB3 GLN 61 OK 28 95 - 29 - 5285/3.0=6, ~5285=5...(11) HA3 GLY 21 - HB3 GLN 61 OK 27 93 - 29 - 5285/3.0=6, ~5285=5...(11) HA THR 37 - HB3 GLN 61 OK 22 60 - 36 - 3.0/3903=8, ~3902=6...(11) HA LYS 32 - HB3 GLN 61 OK 19 96 - 20 - 2533/1.8=3, 2549/3.0=3...(7) HA VAL 76 - HB3 GLN 61 OK 17 100 - 16 - 2533/1.8=2, 2549/3.0=1...(6) HA ARG 66 - HB3 GLN 61 OK 14 96 - 15 - 2533/1.8=2, 247/4.6=2...(6) HA2 GLY 72 - HB3 GLN 61 lone 9 100 - 9 - 2533/1.8=1, 710/4.0=1, 247/4.6=1 Peak 2542 from cnoeabs.peaks (2.53, 1.66, 30.35 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 1.8=100 HG3 MET 31 + HB3 GLN 61 OK 75 100 - 75 - ~1547=9, 2558/3.0=9...(31) HB2 ASP 24 - HB3 GLN 61 OK 13 63 - 20 - 1.8/2544=3, 2550/3.0=2...(9) HB3 ASP 46 - HB3 GLN 61 lone 7 81 - 9 - 2550/3.0=1, 2558/3.0=1 Peak 2543 from cnoeabs.peaks (1.66, 1.66, 30.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 Peak 2544 from cnoeabs.peaks (2.60, 1.66, 30.35 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HG2 MET 31 + HB3 GLN 61 OK 63 73 - 87 - 1.8/2542=18, 3.3/5070=12...(33) HB3 ASP 24 - HB3 GLN 61 OK 29 95 - 30 - 2536/1.8=4, 2560/3.0=4...(15) HB3 ASP 47 - HB3 GLN 61 OK 19 97 - 19 - 2536/1.8=3, 2560/3.0=3...(10) HB2 ASP 38 - HB3 GLN 61 OK 13 83 - 16 - 250/4.6=2, 2536/1.8=2...(6) HB3 ASP 38 - HB3 GLN 61 OK 13 81 - 16 - 250/4.6=2, 2536/1.8=2...(6) Peak 2545 from cnoeabs.peaks (2.16, 1.66, 30.35 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 PRO 44 + HB3 GLN 61 OK 57 81 - 71 - 2537/1.8=14, 2553/3.0=13...(20) Peak 2548 from cnoeabs.peaks (7.68, 2.60, 34.98 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.96: * H GLN 61 + HG2 GLN 61 OK 93 100 - 93 - 5.0=67, 714/1.8=32...(17) H TYR 55 + HG2 GLN 61 OK 41 99 - 42 - 2556/1.8=9, 5713/3.5=8...(12) H MET 31 - HG2 GLN 61 OK 41 71 - 58 - 559/3.0=10, 4.7/2550=9...(14) Peak 2549 from cnoeabs.peaks (3.96, 2.60, 34.98 ppm; 4.39 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 4.0=100 HA GLU 50 - HG2 GLN 61 OK 37 100 - 37 - 2529/1.8=7, 2528=5...(10) HA ALA 28 - HG2 GLN 61 OK 34 99 - 34 - 2557/1.8=4, ~5533=4...(11) HA2 GLY 21 - HG2 GLN 61 OK 32 95 - 34 - 5285=6, 1.8/5285=5...(13) HA3 GLY 21 - HG2 GLN 61 OK 31 93 - 33 - 5285=6, 1.8/5285=5...(13) HA LYS 32 - HG2 GLN 61 OK 28 96 - 29 - ~6065=4, 2557/1.8=3...(12) HA THR 37 - HG2 GLN 61 OK 18 60 - 30 - 3.0/3904=8, ~3902=5...(12) HA VAL 76 - HG2 GLN 61 OK 16 100 - 16 - 2557/1.8=2, 2541/3.0=2...(6) HA ARG 66 - HG2 GLN 61 OK 13 96 - 13 - 2533/3.0=2, 2541/3.0=2...(5) HA2 GLY 72 - HG2 GLN 61 lone 7 100 - 7 - Peak 2550 from cnoeabs.peaks (2.53, 2.60, 34.98 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 MET 31 + HG2 GLN 61 OK 88 100 - 88 - 2558/1.8=15, 2542/3.0=14...(35) HB2 ASP 24 - HG2 GLN 61 OK 20 63 - 32 - 3.0/1319=4, ~2560=3...(15) HB3 ASP 46 - HG2 GLN 61 OK 12 81 - 14 - 4.6/638=3, 2558/1.8=2...(5) Peak 2551 from cnoeabs.peaks (1.66, 2.60, 34.98 ppm; 4.49 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 13 - HG2 GLN 61 OK 29 99 - 30 - 2559/1.8=5, 2535/3.0=4...(11) HD2 LYS 13 - HG2 GLN 61 OK 29 99 - 30 - 2559/1.8=5, 2535/3.0=4...(11) HD2 LYS 75 - HG2 GLN 61 OK 25 100 - 25 - 2559/1.8=4, 2535/3.0=3...(10) HD3 LYS 75 - HG2 GLN 61 OK 25 100 - 25 - 2559/1.8=4, 2535/3.0=3...(10) HG LEU 29 - HG2 GLN 61 OK 17 92 - 18 - 2535/3.0=3, 2559/1.8=2...(7) HG2 ARG 23 - HG2 GLN 61 OK 12 97 - 12 - 4.9/518=2, 2559/1.8=1...(4) HB3 LYS 13 - HG2 GLN 61 poor 10 78 - 12 - 2559/1.8=1, 2535/3.0=1, ~4661=1 HG3 ARG 27 - HG2 GLN 61 lone 3 65 - 5 - 3.8/5524=1 HG2 ARG 27 - HG2 GLN 61 lone 3 63 - 5 - 3.8/5524=1 Peak 2552 from cnoeabs.peaks (2.60, 2.60, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 Peak 2553 from cnoeabs.peaks (2.16, 2.60, 34.98 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 1.8=100 HG3 PRO 44 + HG2 GLN 61 OK 49 81 - 61 - 2.3/4397=8, 2545/3.0=7...(21) Peak 2554 from cnoeabs.peaks (7.46, 2.60, 34.98 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.5=100 H LEU 52 - HG2 GLN 61 OK 15 60 - 26 - 5761/3.0=5, 2562/1.8=5...(7) HE21 GLN 79 - HG2 GLN 61 lone 6 87 - 7 - 2562/1.8=2, 5761/3.0=1 Peak 2555 from cnoeabs.peaks (6.83, 2.60, 34.98 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.5=100 QE TYR 55 - HG2 GLN 61 OK 30 90 - 33 - 2563/1.8=9, ~2377=6...(8) Peak 2556 from cnoeabs.peaks (7.68, 2.16, 34.98 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.96: * H GLN 61 + HG3 GLN 61 OK 96 100 - 96 - 5.0=81, 3.0/2529=25...(15) H TYR 55 - HG3 GLN 61 OK 43 99 - 44 - 2548/1.8=10, 5713/3.5=9...(10) H MET 31 - HG3 GLN 61 OK 39 71 - 56 - 559/3.0=11, 4.7/2558=10...(12) Peak 2557 from cnoeabs.peaks (3.96, 2.16, 34.98 ppm; 4.32 A): 1 out of 10 assignments used, quality = 1.00: * HA GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 4.0=100 HA GLU 50 - HG3 GLN 61 OK 35 100 - 35 - 2529=8, 2526/3.0=4...(11) HA ALA 28 - HG3 GLN 61 OK 30 99 - 31 - 2549/1.8=4, ~5533=4...(11) HA2 GLY 21 - HG3 GLN 61 OK 29 95 - 31 - 5285/1.8=8, ~5285=6...(12) HA3 GLY 21 - HG3 GLN 61 OK 29 93 - 31 - 5285/1.8=8, ~5285=6...(12) HA LYS 32 - HG3 GLN 61 OK 25 96 - 27 - ~6065=4, 2549/1.8=3...(12) HA THR 37 - HG3 GLN 61 OK 16 60 - 26 - ~3904=6, ~3902=4...(10) HA VAL 76 - HG3 GLN 61 OK 14 100 - 14 - 2549/1.8=2, 2541/3.0=2...(6) HA ARG 66 - HG3 GLN 61 OK 11 96 - 12 - 2549/1.8=2, 2533/3.0=2...(5) HA2 GLY 72 - HG3 GLN 61 lone 6 100 - 6 - Peak 2558 from cnoeabs.peaks (2.53, 2.16, 34.98 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 MET 31 + HG3 GLN 61 OK 87 100 - 87 - 2550/1.8=15, 2542/3.0=14...(32) HB2 ASP 24 - HG3 GLN 61 OK 17 63 - 27 - 1.8/2560=5, 2550/1.8=4...(12) HB3 ASP 46 - HG3 GLN 61 OK 10 81 - 12 - 4.6/6064=2, 2550/1.8=2...(5) Peak 2559 from cnoeabs.peaks (1.66, 2.16, 34.98 ppm; 4.46 A): 1 out of 10 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 13 - HG3 GLN 61 OK 28 99 - 29 - 2551/1.8=4, 2535/3.0=4...(11) HD2 LYS 13 - HG3 GLN 61 OK 28 99 - 29 - 2551/1.8=4, 2535/3.0=4...(11) HD2 LYS 75 - HG3 GLN 61 OK 24 100 - 24 - 2551/1.8=4, 2535/3.0=3...(10) HD3 LYS 75 - HG3 GLN 61 OK 24 100 - 24 - 2551/1.8=4, 2535/3.0=3...(10) HG LEU 29 - HG3 GLN 61 OK 15 92 - 16 - 2535/3.0=3, 2551/1.8=2...(6) HB3 LYS 13 - HG3 GLN 61 poor 9 78 - 11 - 2551/1.8=1, 2535/3.0=1, ~4661=1 HG2 ARG 23 - HG3 GLN 61 lone 9 97 - 9 - 2551/1.8=2, 2535/3.0=1 HG3 ARG 27 - HG3 GLN 61 lone 3 65 - 4 - HG2 ARG 27 - HG3 GLN 61 lone 2 63 - 4 - Peak 2560 from cnoeabs.peaks (2.60, 2.16, 34.98 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 1.8=100 HG2 MET 31 + HG3 GLN 61 OK 52 73 - 72 - 1.8/2558=10, 1547/3.0=8...(31) HB3 ASP 24 - HG3 GLN 61 OK 19 95 - 20 - 2544/3.0=3, ~1323=2...(11) HB3 ASP 47 - HG3 GLN 61 OK 14 97 - 14 - ~2132=3, ~2128=2...(7) HB2 ASP 38 - HG3 GLN 61 lone 8 83 - 9 - 2544/3.0=1, 2536/3.0=1 HB3 ASP 38 - HG3 GLN 61 lone 7 81 - 9 - 2544/3.0=1 Peak 2561 from cnoeabs.peaks (2.16, 2.16, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 Peak 2562 from cnoeabs.peaks (7.46, 2.16, 34.98 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.5=100 H LEU 52 - HG3 GLN 61 OK 14 60 - 23 - 2554/1.8=5, 5761/3.0=4...(8) HE21 GLN 79 - HG3 GLN 61 lone 6 87 - 6 - 2554/1.8=2 Peak 2563 from cnoeabs.peaks (6.83, 2.16, 34.98 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.5=100 QE TYR 55 - HG3 GLN 61 OK 29 90 - 33 - 2555/1.8=9, ~2377=6...(8) Peak 2564 from cnoeabs.peaks (8.82, 3.92, 57.93 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 H THR 37 + HA LEU 62 OK 60 98 - 62 - 584=13, 2571/3.0=10...(18) Peak 2565 from cnoeabs.peaks (3.92, 3.92, 57.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 Peak 2566 from cnoeabs.peaks (1.75, 3.92, 57.93 ppm; 3.68 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 HB2 LEU 57 + HA LEU 62 OK 57 83 - 69 - 3.1/6069=23, 3.1/6070=9...(21) HB2 ARG 54 - HA LEU 62 OK 28 85 - 33 - 1.8/2568=3, 719/3.0=3...(14) HB ILE 33 - HA LEU 62 OK 24 78 - 30 - 3.2/6070=5, 3.0/4999=4...(9) HB2 LEU 43 - HA LEU 62 OK 20 78 - 25 - 3.1/2569=3, 2594/4.0=2...(13) HG3 ARG 71 - HA LEU 62 OK 11 100 - 11 - 256/3.6=2, 3.8/4677=2...(5) HG3 ARG 26 - HA LEU 62 OK 11 100 - 11 - 3.7/4677=2, 256/3.6=2 HB3 ARG 17 - HA LEU 62 OK 11 100 - 11 - 4.0/4674=3, 4.3/4674=2 HG2 PRO 34 - HA LEU 62 lone 9 95 - 9 - 4862=1 HB2 ARG 84 - HA LEU 62 lone 7 83 - 8 - HB3 LYS 32 - HA LEU 62 lone 6 65 - 9 - HB2 LYS 32 - HA LEU 62 lone 6 65 - 9 - HB3 ARG 82 - HA LEU 62 lone 3 85 - 3 - HB3 LYS 85 - HA LEU 62 lone 2 73 - 3 - HB3 LYS 83 - HA LEU 62 lone 1 60 - 2 - Peak 2567 from cnoeabs.peaks (1.59, 3.92, 57.93 ppm; 3.44 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 HG LEU 62 + HA LEU 62 OK 66 78 - 85 - 4.3=52, 2.1/2593=17...(24) HB3 LEU 29 + HA LEU 62 OK 46 99 - 47 - 2579=6, 3.1/2570=6...(20) HG LEU 86 - HA LEU 62 OK 35 97 - 36 - 2.1/2570=5, 2574/3.0=3...(14) HB2 LEU 86 - HA LEU 62 OK 25 68 - 37 - 3.1/2570=4, 2579=3...(15) HG3 ARG 54 - HA LEU 62 OK 25 96 - 26 - 2586=2, 3.0/2566=2...(11) HB3 LEU 86 - HA LEU 62 OK 24 71 - 35 - 3.1/2570=4, 2579=3...(13) HB3 LEU 51 - HA LEU 62 OK 20 97 - 20 - 2227/4.0=3, 5221/4.0=2...(7) HD3 LYS 39 - HA LEU 62 lone 9 99 - 9 - 6.2/5605=1 HD2 LYS 39 - HA LEU 62 lone 9 100 - 9 - 6.2/5605=1 HG2 ARG 84 - HA LEU 62 lone 8 100 - 8 - HG3 ARG 84 - HA LEU 62 lone 8 100 - 8 - HD2 LYS 32 - HA LEU 62 lone 5 78 - 6 - HD2 LYS 73 - HA LEU 62 lone 4 78 - 5 - HD3 LYS 73 - HA LEU 62 lone 4 78 - 5 - HD3 LYS 32 - HA LEU 62 lone 4 73 - 6 - HG3 ARG 70 - HA LEU 62 lone 4 73 - 5 - Peak 2568 from cnoeabs.peaks (1.57, 3.92, 57.93 ppm; 3.40 A): 2 out of 13 assignments used, quality = 0.97: * HG LEU 62 + HA LEU 62 OK 85 100 - 85 - 4.3=50, 2.1/2593=17...(24) HB3 LEU 62 + HA LEU 62 OK 78 78 - 100 - 3.0=100 HB3 LEU 29 - HA LEU 62 OK 42 93 - 45 - 3.1/2570=6, 2579=5...(19) HB3 LEU 86 - HA LEU 62 OK 36 100 - 36 - 3.1/2570=4, 2575/3.0=3...(13) HG3 ARG 54 - HA LEU 62 OK 27 97 - 27 - 2586=3, 2585/3.0=3...(12) HB3 ARG 54 - HA LEU 62 OK 24 87 - 28 - 1.8/2566=3, 2575/3.0=2...(11) HG LEU 64 - HA LEU 62 OK 13 68 - 19 - 2.1/2569=2, 2585/3.0=2...(7) HG2 LYS 39 - HA LEU 62 poor 10 87 - 11 - 4.9/5605=2 HD3 LYS 39 - HA LEU 62 lone 8 90 - 8 - 6.2/5605=1 HD2 LYS 39 - HA LEU 62 lone 7 89 - 8 - 6.2/5605=1 HG3 ARG 84 - HA LEU 62 lone 5 65 - 7 - HG2 ARG 84 - HA LEU 62 lone 5 65 - 7 - HG3 ARG 23 - HA LEU 62 lone 2 71 - 3 - Peak 2569 from cnoeabs.peaks (0.93, 3.92, 57.93 ppm; 3.44 A): 2 out of 8 assignments used, quality = 0.93: * QD2 LEU 62 + HA LEU 62 OK 90 100 - 90 - 4.0=65, 2.1/2600=11...(34) QG2 ILE 40 + HA LEU 62 OK 33 100 - 33 - 4310=6, 2.1/4309=4...(12) QD2 LEU 43 - HA LEU 62 OK 23 92 - 25 - 2576/3.0=4, 722/3.0=2...(10) HG12 ILE 68 - HA LEU 62 OK 16 98 - 16 - 2576/3.0=2, 259/3.6=2...(7) QD1 LEU 64 - HA LEU 62 OK 14 71 - 20 - 722/3.0=2, 5012/3.6=2...(8) QG2 VAL 41 - HA LEU 62 OK 13 100 - 13 - 4328/3.6=2, 722/3.0=2...(4) QG1 VAL 76 - HA LEU 62 lone 9 98 - 9 - 722/3.0=1, 2576/3.0=1 QG2 VAL 76 - HA LEU 62 lone 9 98 - 9 - 722/3.0=1, 2576/3.0=1 Peak 2570 from cnoeabs.peaks (0.87, 3.92, 57.93 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.99: * QD1 LEU 62 + HA LEU 62 OK 97 100 - 97 - 4.0=89, 2.1/2593=21...(24) QD1 LEU 29 + HA LEU 62 OK 57 99 - 57 - 2600=9, 2577/3.0=8...(23) QD1 LEU 86 - HA LEU 62 OK 41 93 - 44 - 2600=6, 2577/3.0=6...(16) HG LEU 51 - HA LEU 62 OK 19 87 - 23 - 2577/3.0=4, 2598/4.0=3...(10) QG2 VAL 90 - HA LEU 62 lone 5 71 - 7 - 3.2/4677=1 QG1 VAL 90 - HA LEU 62 lone 5 68 - 7 - 3.2/4677=1 Peak 2571 from cnoeabs.peaks (8.82, 1.75, 41.88 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 62 + HB2 LEU 62 OK 90 100 - 90 - 4.0=72, 2578/1.8=14...(16) H THR 37 + HB2 LEU 62 OK 46 98 - 46 - 2564/3.0=9, 2578/1.8=8...(13) Peak 2572 from cnoeabs.peaks (3.92, 1.75, 41.88 ppm; 3.74 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.0=100 HA THR 37 + HB2 LEU 62 OK 52 96 - 54 - 3.0/2571=10, 2593/3.1=8...(18) HA2 GLY 18 - HB2 LEU 62 OK 22 100 - 22 - 2593/3.1=3, 2579/1.8=3...(12) HA3 GLY 18 - HB2 LEU 62 OK 22 100 - 22 - 2593/3.1=3, 2579/1.8=3...(12) HA3 GLY 21 - HB2 LEU 62 lone 6 65 - 9 - ~4674=2 HA2 GLY 21 - HB2 LEU 62 lone 6 63 - 9 - ~4674=2 Peak 2573 from cnoeabs.peaks (1.75, 1.75, 41.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 2574 from cnoeabs.peaks (1.59, 1.75, 41.88 ppm; 2.62 A): 2 out of 17 assignments used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 1.8=100 HG LEU 62 + HB2 LEU 62 OK 63 78 - 80 - 3.0=69, 2.1/2601=5...(17) HB3 LEU 29 - HB2 LEU 62 OK 37 99 - 38 - 2580=5, 3.1/2577=4...(14) HG LEU 86 - HB2 LEU 62 OK 26 97 - 27 - 2.1/2577=3, 3537/1.8=1...(7) HG3 ARG 54 - HB2 LEU 62 OK 21 96 - 22 - 2587=2, 4.8/5777=1...(6) HB2 LEU 86 - HB2 LEU 62 OK 19 68 - 28 - 3.1/2577=3, 2580=2...(5) HB3 LEU 86 - HB2 LEU 62 OK 18 71 - 26 - 3.1/2577=3, 2580=2...(5) HB3 LEU 51 - HB2 LEU 62 OK 18 97 - 19 - 2227/3.1=2, 3.0/2577=2...(4) HD2 LYS 39 - HB2 LEU 62 lone 7 100 - 7 - HD3 LYS 39 - HB2 LEU 62 lone 7 99 - 7 - HG2 ARG 84 - HB2 LEU 62 lone 6 100 - 6 - HG3 ARG 84 - HB2 LEU 62 lone 6 100 - 6 - HG3 ARG 70 - HB2 LEU 62 lone 3 73 - 4 - HD3 LYS 73 - HB2 LEU 62 lone 3 78 - 4 - HD2 LYS 73 - HB2 LEU 62 lone 3 78 - 4 - HD2 LYS 32 - HB2 LEU 62 lone 3 78 - 4 - HD3 LYS 32 - HB2 LEU 62 lone 3 73 - 4 - Peak 2575 from cnoeabs.peaks (1.57, 1.75, 41.88 ppm; 2.58 A): 2 out of 13 assignments used, quality = 0.95: * HG LEU 62 + HB2 LEU 62 OK 78 100 - 78 - 3.0=65, 2.1/2601=5...(17) HB3 LEU 62 + HB2 LEU 62 OK 78 78 - 100 - 1.8=100 HB3 LEU 29 - HB2 LEU 62 OK 33 93 - 36 - 2580=4, 3.1/2577=4...(14) HB3 LEU 86 - HB2 LEU 62 OK 26 100 - 26 - 3.1/2577=2, 2580=2...(6) HG3 ARG 54 - HB2 LEU 62 OK 21 97 - 22 - 2587=2, 4.8/5777=1...(9) HB3 ARG 54 - HB2 LEU 62 OK 20 87 - 23 - 2317=2, 4.6/5777=1...(5) HG LEU 64 - HB2 LEU 62 poor 8 68 - 12 - 2.1/2576=1 HG2 LYS 39 - HB2 LEU 62 lone 7 87 - 8 - HD3 LYS 39 - HB2 LEU 62 lone 6 90 - 6 - HD2 LYS 39 - HB2 LEU 62 lone 6 89 - 6 - HG3 ARG 84 - HB2 LEU 62 lone 3 65 - 5 - HG2 ARG 84 - HB2 LEU 62 lone 3 65 - 5 - HG3 ARG 23 - HB2 LEU 62 lone 1 71 - 2 - Peak 2576 from cnoeabs.peaks (0.93, 1.75, 41.88 ppm; 3.81 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.1=100 QD2 LEU 43 - HB2 LEU 62 OK 38 92 - 42 - 2039=4, 2569/3.0=3...(18) QG2 ILE 40 - HB2 LEU 62 OK 32 100 - 32 - 4310/3.0=5, 722/4.0=3...(15) HG12 ILE 68 - HB2 LEU 62 OK 22 98 - 22 - ~4759=3, 2569/3.0=2...(10) QD1 LEU 64 - HB2 LEU 62 OK 20 71 - 28 - 722/4.0=2, 5012/4.6=2...(11) QG2 VAL 41 - HB2 LEU 62 OK 16 100 - 16 - 2569/3.0=2, 259/4.6=2...(5) QG2 VAL 76 - HB2 LEU 62 OK 11 98 - 11 - 2569/3.0=1, 722/4.0=1 QG1 VAL 76 - HB2 LEU 62 OK 11 98 - 11 - 2569/3.0=1, 722/4.0=1 Peak 2577 from cnoeabs.peaks (0.87, 1.75, 41.88 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.1=100 QD1 LEU 29 + HB2 LEU 62 OK 54 99 - 55 - 2601=6, 2598/3.1=6...(23) QD1 LEU 86 - HB2 LEU 62 OK 38 93 - 41 - 2601=4, 2570/3.0=4...(13) HG LEU 51 - HB2 LEU 62 OK 24 87 - 28 - 2598/3.1=3, 2233/1.8=2...(15) QG2 VAL 90 - HB2 LEU 62 lone 4 71 - 5 - QG1 VAL 90 - HB2 LEU 62 lone 4 68 - 5 - Peak 2578 from cnoeabs.peaks (8.82, 1.59, 41.88 ppm; 3.72 A): 2 out of 8 assignments used, quality = 0.97: * H LEU 62 + HB3 LEU 62 OK 95 100 - 95 - 4.0=82, 2571/1.8=26...(16) H THR 37 + HB3 LEU 62 OK 50 98 - 51 - 2571/1.8=13, 2564/3.0=10...(12) H LEU 62 - HB3 LEU 29 OK 39 99 - 40 - 249/3.0=6, 723/3.1=6...(14) H LEU 62 - HB3 LEU 86 OK 17 60 - 28 - 723/3.1=4, 721=3...(13) H LEU 62 - HB2 LEU 86 OK 16 58 - 28 - 723/3.1=4, 721/1.8=4...(12) H THR 37 - HB3 LEU 29 lone 5 96 - 6 - H THR 37 - HB3 LEU 86 lone 2 57 - 4 - H THR 37 - HB2 LEU 86 lone 1 54 - 3 - Peak 2579 from cnoeabs.peaks (3.92, 1.59, 41.88 ppm; 3.69 A): 3 out of 24 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.0=100 HA LEU 62 + HB3 LEU 29 OK 51 99 - 52 - 2570/3.1=7, 2567=6...(20) HA THR 37 + HB3 LEU 62 OK 51 96 - 53 - 2572/1.8=9, 2593/3.1=8...(18) HA LEU 62 - HB3 LEU 86 OK 25 60 - 42 - 2570/3.1=5, 2568=4...(15) HA LEU 62 - HB2 LEU 86 OK 25 58 - 43 - 2570/3.1=5, 2568/1.8=4...(15) HA2 GLY 18 - HB3 LEU 62 OK 23 100 - 22 - 2572/1.8=4, 2593/3.1=3...(12) HA3 GLY 18 - HB3 LEU 62 OK 22 100 - 22 - 2572/1.8=4, 2593/3.1=3...(12) HA3 GLY 21 - HB3 LEU 62 lone 6 65 - 9 - ~4674=2, 2572/1.8=1 HA THR 37 - HB3 LEU 29 lone 5 93 - 6 - HA2 GLY 21 - HB3 LEU 62 lone 5 63 - 9 - ~4674=2 HA THR 37 - HB3 LEU 86 lone 2 54 - 4 - HA2 GLY 18 - HB3 LEU 86 lone 2 60 - 3 - HA3 GLY 18 - HB3 LEU 86 lone 2 59 - 3 - HA3 GLY 18 - HB3 LEU 29 lone 2 98 - 2 - HA2 GLY 18 - HB3 LEU 29 lone 2 98 - 2 - HA THR 37 - HB2 LEU 86 lone 2 51 - 3 - HA2 GLY 18 - HB2 LEU 86 lone 2 57 - 3 - HA3 GLY 18 - HB2 LEU 86 lone 1 57 - 3 - HA3 GLY 21 - HB3 LEU 29 lone 1 62 - 1 - HA2 GLY 21 - HB3 LEU 29 lone 1 60 - 1 - HA3 GLY 21 - HB3 LEU 86 lone 0 32 - 1 - HA2 GLY 21 - HB3 LEU 86 lone 0 31 - 1 - HA3 GLY 21 - HB2 LEU 86 lone 0 31 - 1 - HA2 GLY 21 - HB2 LEU 86 lone 0 29 - 1 - Peak 2580 from cnoeabs.peaks (1.75, 1.59, 41.88 ppm; 2.50 A): 1 out of 60 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 1.8=100 HB2 LEU 62 - HB3 LEU 29 OK 33 99 - 34 - 2574=5, 2577/3.1=3...(12) HB2 LEU 57 - HB3 LEU 62 OK 23 83 - 27 - ~6069=3, 719/4.0=2...(14) HB2 ARG 54 - HB3 LEU 62 OK 19 85 - 23 - 2312=2, 3.0/2328=1...(8) HB2 LEU 62 - HB3 LEU 86 OK 15 60 - 25 - 2575=3, 2577/3.1=2...(5) HB2 LEU 62 - HB2 LEU 86 OK 15 58 - 26 - 2575/1.8=3, 2574=2...(4) HB2 LEU 43 - HB3 LEU 62 OK 12 78 - 15 - 3.1/5214=2, 2594/3.1=1, ~2018=1 HB2 LEU 43 - HB3 LEU 29 OK 11 75 - 15 - 3.1/5214=2, ~2018=2...(4) HB2 ARG 84 - HB3 LEU 29 poor 8 79 - 11 - 3379=1 HB ILE 33 - HB3 LEU 62 lone 6 78 - 8 - ~6070=1 HG3 ARG 26 - HB3 LEU 62 lone 6 100 - 6 - HG3 ARG 71 - HB3 LEU 62 lone 5 100 - 5 - HB3 ARG 82 - HB3 LEU 29 lone 5 81 - 7 - HB2 ARG 84 - HB3 LEU 62 lone 4 83 - 4 - HB3 ARG 17 - HB3 LEU 86 lone 3 60 - 6 - HB3 ARG 17 - HB3 LEU 62 lone 3 100 - 3 - HG3 ARG 26 - HB3 LEU 29 lone 3 99 - 3 - HB3 LYS 85 - HB3 LEU 29 lone 3 70 - 4 - HB3 ARG 17 - HB2 LEU 86 lone 3 57 - 5 - HG3 ARG 71 - HB3 LEU 29 lone 3 98 - 3 - HG2 PRO 34 - HB3 LEU 62 lone 3 95 - 3 - HB3 LYS 32 - HB3 LEU 62 lone 3 65 - 4 - HB2 LYS 32 - HB3 LEU 62 lone 3 65 - 4 - HB2 ARG 54 - HB3 LEU 29 lone 3 81 - 3 - HB2 LYS 32 - HB3 LEU 29 lone 2 62 - 4 - HB3 LYS 32 - HB3 LEU 29 lone 2 62 - 4 - HG2 PRO 34 - HB3 LEU 86 lone 2 53 - 5 - HG2 PRO 34 - HB2 LEU 86 lone 2 50 - 4 - HB2 LEU 43 - HB3 LEU 86 lone 2 40 - 5 - HB ILE 33 - HB3 LEU 29 lone 2 75 - 3 - HB2 LEU 43 - HB2 LEU 86 lone 2 38 - 5 - HB2 LEU 57 - HB3 LEU 29 lone 2 79 - 2 - HB3 LYS 83 - HB3 LEU 29 lone 2 57 - 3 - HB2 ARG 54 - HB3 LEU 86 lone 2 45 - 4 - HB3 LYS 85 - HB3 LEU 86 lone 2 37 - 4 - 4.6/861=2 HG3 ARG 26 - HB3 LEU 86 lone 2 60 - 3 - HG3 ARG 71 - HB3 LEU 86 lone 2 59 - 3 - HB2 ARG 54 - HB2 LEU 86 lone 2 43 - 3 - HB2 ARG 84 - HB3 LEU 86 lone 1 43 - 3 - HB2 ARG 84 - HB2 LEU 86 lone 1 41 - 3 - HB3 ARG 17 - HB3 LEU 29 lone 1 98 - 1 - HB3 LYS 85 - HB2 LEU 86 lone 1 35 - 4 - 4.6/862=2 HG3 ARG 71 - HB2 LEU 86 lone 1 57 - 2 - HG3 ARG 26 - HB2 LEU 86 lone 1 58 - 2 - HB3 LYS 85 - HB3 LEU 62 lone 1 73 - 2 - HB3 ARG 82 - HB3 LEU 62 lone 1 85 - 1 - HB2 LEU 57 - HB3 LEU 86 lone 1 43 - 2 - HB2 LEU 57 - HB2 LEU 86 lone 1 41 - 2 - HG2 PRO 34 - HB3 LEU 29 lone 1 91 - 1 - HB3 LYS 32 - HB3 LEU 86 lone 1 32 - 2 - HB2 LYS 32 - HB3 LEU 86 lone 1 32 - 2 - HB ILE 33 - HB3 LEU 86 lone 1 40 - 2 - HB2 LYS 32 - HB2 LEU 86 lone 1 31 - 2 - HB3 LYS 32 - HB2 LEU 86 lone 1 31 - 2 - HB3 LYS 83 - HB3 LEU 62 lone 1 60 - 1 - HB ILE 33 - HB2 LEU 86 lone 1 38 - 2 - HB3 LYS 83 - HB2 LEU 86 lone 0 28 - 1 - HB3 LYS 83 - HB3 LEU 86 lone 0 29 - 1 - HB3 ARG 82 - HB3 LEU 86 lone 0 45 - 1 - HB3 ARG 82 - HB2 LEU 86 lone 0 43 - 1 - Peak 2581 from cnoeabs.peaks (1.59, 1.59, 41.88 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + HB3 LEU 62 OK 100 100 - 100 HB3 LEU 29 + HB3 LEU 29 OK 96 96 - 100 HB3 LEU 86 - HB3 LEU 86 OK 36 36 - 100 HB2 LEU 86 - HB2 LEU 86 OK 32 32 - 100 Peak 2582 from cnoeabs.peaks (1.57, 1.59, 41.88 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: HB3 LEU 29 + HB3 LEU 29 OK 90 90 - 100 HB3 LEU 62 + HB3 LEU 62 OK 78 78 - 100 HB3 LEU 86 + HB3 LEU 86 OK 60 60 - 100 Reference assignment not found: HG LEU 62 - HB3 LEU 62 Peak 2583 from cnoeabs.peaks (0.93, 1.59, 41.88 ppm; 3.59 A): 2 out of 32 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.1=100 QD2 LEU 62 + HB3 LEU 29 OK 56 99 - 57 - 2598/3.1=7, 2595=6...(29) QD2 LEU 43 - HB3 LEU 62 OK 35 92 - 38 - 2576/1.8=5, 2.1/5214=5...(19) QD2 LEU 43 - HB3 LEU 29 OK 33 89 - 38 - 2.1/5214=5, 2039/1.8=4...(15) QG2 ILE 40 - HB3 LEU 62 OK 29 100 - 29 - 4310/3.0=5, 2576/1.8=4...(11) QD1 LEU 64 - HB3 LEU 29 OK 29 68 - 43 - ~1489=4, 2652/3.1=3...(21) QD2 LEU 62 - HB3 LEU 86 OK 24 60 - 40 - 2598/3.1=4, 2596=3...(17) QD2 LEU 62 - HB2 LEU 86 OK 24 58 - 41 - 2598/3.1=4, 2596/1.8=4...(15) HG12 ILE 68 - HB3 LEU 62 OK 20 98 - 20 - 2576/1.8=3, ~4759=2...(8) QD1 LEU 64 - HB3 LEU 62 OK 18 71 - 25 - 2576/1.8=3, 722/4.0=2...(8) QG2 VAL 41 - HB3 LEU 62 OK 13 100 - 13 - 2576/1.8=2, 2569/3.0=2...(4) QG2 VAL 76 - HB3 LEU 62 OK 10 98 - 10 - 2576/1.8=1, 2569/3.0=1 QG1 VAL 76 - HB3 LEU 62 OK 10 98 - 10 - 2576/1.8=1, 2569/3.0=1 QG2 VAL 41 - HB3 LEU 29 lone 7 98 - 7 - 5625/3.0=2, ~5626=1 QD2 LEU 43 - HB3 LEU 86 poor 7 50 - 14 - 5213=1, 2042/3.1=1...(4) QD2 LEU 43 - HB2 LEU 86 poor 7 48 - 14 - 2.1/5214=2, 5213/1.8=2 QD1 LEU 64 - HB2 LEU 86 poor 7 34 - 19 - 6134/4.6=2, 2651/1.8=2...(6) QG2 ILE 40 - HB3 LEU 29 lone 6 99 - 6 - QG2 VAL 76 - HB3 LEU 29 lone 6 96 - 6 - QG1 VAL 76 - HB3 LEU 29 lone 6 96 - 6 - QD1 LEU 64 - HB3 LEU 86 poor 6 36 - 16 - 6134/4.6=2, 2652/3.1=2 HG12 ILE 68 - HB3 LEU 29 lone 5 96 - 5 - HG12 ILE 68 - HB2 LEU 86 lone 5 54 - 9 - 2763/4.6=3, ~4759=2 HG12 ILE 68 - HB3 LEU 86 lone 4 57 - 8 - 2763/4.6=3 QG2 ILE 40 - HB3 LEU 86 lone 4 60 - 6 - 5616/4.6=2 QG2 ILE 40 - HB2 LEU 86 lone 3 58 - 6 - 5616/4.6=2 QG2 VAL 41 - HB3 LEU 86 lone 1 59 - 2 - QG2 VAL 41 - HB2 LEU 86 lone 1 57 - 2 - QG1 VAL 76 - HB3 LEU 86 lone 1 57 - 2 - QG2 VAL 76 - HB3 LEU 86 lone 1 57 - 2 - QG1 VAL 76 - HB2 LEU 86 lone 1 54 - 1 - QG2 VAL 76 - HB2 LEU 86 lone 1 54 - 1 - Peak 2584 from cnoeabs.peaks (0.87, 1.59, 41.88 ppm; 3.03 A): 6 out of 24 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 96 100 - 96 - 3.1=92, 2601/1.8=8...(20) QD1 LEU 29 + HB3 LEU 29 OK 94 97 - 97 - 3.1=92, 2.1/1500=11...(15) QD1 LEU 86 + HB3 LEU 86 OK 50 51 - 96 - 3.1=94, 2.1/3537=5...(13) QD1 LEU 29 + HB3 LEU 62 OK 48 99 - 48 - 2577/1.8=7, 2.1/1500=5...(20) QD1 LEU 86 + HB2 LEU 86 OK 47 49 - 96 - 3.1=94, ~3549=4...(11) QD1 LEU 86 + HB3 LEU 29 OK 47 90 - 52 - 1488/1.8=7, 6115/3.0=5...(24) QD1 LEU 62 - HB3 LEU 29 OK 43 99 - 44 - 1488/1.8=6, 6115/3.0=4...(18) QD1 LEU 86 - HB3 LEU 62 OK 32 93 - 35 - 2577/1.8=5, 2570/3.0=3...(13) QD1 LEU 29 - HB3 LEU 86 OK 26 59 - 45 - 2.1/1500=5, 3.1/1486=3...(21) QD1 LEU 29 - HB2 LEU 86 OK 24 56 - 42 - 3518/3.0=3, ~1500=3...(21) HG LEU 51 - HB3 LEU 62 OK 24 87 - 27 - 2577/1.8=3, 2598/3.1=3...(14) HG LEU 51 - HB3 LEU 29 OK 18 83 - 22 - 1488/1.8=2, 6115/3.0=2...(9) QD1 LEU 62 - HB3 LEU 86 OK 16 60 - 27 - 2.1/2596=2, 3.1/2575=2...(11) QD1 LEU 62 - HB2 LEU 86 OK 16 58 - 27 - 3518/3.0=2, 2.1/2595=2...(12) QG2 VAL 90 - HB3 LEU 29 poor 9 68 - 14 - 1488/1.8=2, ~5348=2...(4) HG LEU 51 - HB2 LEU 86 poor 9 44 - 21 - ~6093=2, ~4520=2, 2233=2...(9) QG1 VAL 90 - HB3 LEU 29 poor 9 65 - 14 - ~5348=2, 1488/1.8=2, 3.2/4186=1 HG LEU 51 - HB3 LEU 86 poor 7 46 - 16 - ~4520=2, 2233/1.8=1...(5) QG2 VAL 90 - HB3 LEU 62 lone 4 71 - 5 - QG1 VAL 90 - HB3 LEU 62 lone 3 68 - 5 - QG2 VAL 90 - HB3 LEU 86 lone 2 36 - 6 - QG1 VAL 90 - HB3 LEU 86 lone 2 34 - 6 - QG2 VAL 90 - HB2 LEU 86 lone 2 34 - 6 - QG1 VAL 90 - HB2 LEU 86 lone 2 32 - 6 - Peak 2585 from cnoeabs.peaks (8.82, 1.57, 26.98 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.94: * H LEU 62 + HG LEU 62 OK 88 100 - 88 - 5.0=53, 2571/3.0=23...(16) H THR 37 + HG LEU 62 OK 53 98 - 54 - 2571/3.0=11, 2592/2.1=11...(13) H LEU 62 - HG3 ARG 54 OK 29 90 - 32 - 246/4.8=5, 721=4...(14) H LEU 62 - HG LEU 64 OK 21 66 - 32 - 5776/4.8=10, 5775/4.3=4...(8) H THR 37 - HG LEU 64 poor 7 62 - 12 - 5788/4.8=4, 5589/595=1 H THR 37 - HG3 ARG 54 lone 6 86 - 7 - 4.0/4875=1 H LEU 62 - HG3 ARG 84 lone 3 40 - 7 - H LEU 62 - HG2 ARG 84 lone 3 40 - 7 - H LEU 62 - HG3 ARG 23 lone 2 44 - 5 - 249/1.8=1 H THR 37 - HG3 ARG 23 lone 1 41 - 2 - H THR 37 - HG2 ARG 84 lone 1 37 - 1 - H THR 37 - HG3 ARG 84 lone 1 37 - 1 - Peak 2586 from cnoeabs.peaks (3.92, 1.57, 26.98 ppm; 4.05 A): 2 out of 36 assignments used, quality = 0.99: * HA LEU 62 + HG LEU 62 OK 98 100 - 98 - 4.3=86, 2593/2.1=22...(27) HA THR 37 + HG LEU 62 OK 52 96 - 54 - 2593/2.1=11, 2572/3.0=8...(13) HA LEU 62 - HG3 ARG 54 OK 33 90 - 37 - 3.0/2585=4, 2568=4...(18) HA2 GLY 18 - HG LEU 62 OK 23 100 - 23 - 2593/2.1=4, 2572/3.0=4...(10) HA3 GLY 18 - HG LEU 62 OK 23 100 - 23 - 2593/2.1=4, 2572/3.0=3...(10) HA LEU 62 - HG LEU 64 OK 17 66 - 26 - 3.0/2585=3, 3.6/258=3...(10) HA3 GLY 21 - HG LEU 64 poor 10 36 - 28 - ~3919=4, ~4384=3...(11) HA2 GLY 21 - HG LEU 64 poor 9 34 - 28 - ~3919=4, ~4384=3...(11) HA2 GLY 18 - HG LEU 64 poor 8 65 - 12 - ~3919=2, ~3918=2...(5) HA3 GLY 18 - HG LEU 64 poor 8 64 - 12 - ~3919=2, ~3918=2...(5) HA THR 37 - HG LEU 64 poor 7 59 - 12 - 5603/4.8=3, 4281/4759=1...(4) HA THR 37 - HG3 ARG 54 lone 7 83 - 8 - 4266/4.0=2 HA3 GLY 21 - HG LEU 62 lone 5 65 - 8 - HA2 GLY 21 - HG LEU 62 lone 5 63 - 8 - HA LEU 62 - HG2 ARG 84 poor 5 40 - 11 - HA LEU 62 - HG3 ARG 84 poor 5 40 - 11 - HA2 GLY 18 - HG3 ARG 54 lone 2 89 - 2 - HA LEU 62 - HG3 ARG 23 lone 2 44 - 5 - HA3 GLY 18 - HG3 ARG 54 lone 2 89 - 2 - HA2 GLY 18 - HG3 ARG 23 lone 1 43 - 2 - HA3 GLY 18 - HG3 ARG 23 lone 1 43 - 3 - HA THR 37 - HG3 ARG 23 lone 1 38 - 3 - HA3 GLY 21 - HG3 ARG 54 lone 1 53 - 2 - HA2 GLY 21 - HG3 ARG 54 lone 1 51 - 1 - HA3 GLY 21 - HG3 ARG 23 lone 1 23 - 3 - HA2 GLY 18 - HG2 ARG 84 lone 1 39 - 2 - HA2 GLY 18 - HG3 ARG 84 lone 1 39 - 2 - HA3 GLY 18 - HG2 ARG 84 lone 1 39 - 2 - HA3 GLY 18 - HG3 ARG 84 lone 1 39 - 2 - HA2 GLY 21 - HG3 ARG 23 lone 1 22 - 3 - HA THR 37 - HG2 ARG 84 lone 1 35 - 2 - HA THR 37 - HG3 ARG 84 lone 1 35 - 2 - HA3 GLY 21 - HG2 ARG 84 lone 0 21 - 2 - HA3 GLY 21 - HG3 ARG 84 lone 0 21 - 2 - HA2 GLY 21 - HG2 ARG 84 lone 0 20 - 2 - HA2 GLY 21 - HG3 ARG 84 lone 0 20 - 2 - Peak 2587 from cnoeabs.peaks (1.75, 1.57, 26.98 ppm; 2.69 A): 2 out of 90 assignments used, quality = 0.94: * HB2 LEU 62 + HG LEU 62 OK 85 100 - 85 - 3.0=74, 2601/2.1=6...(18) HB2 ARG 54 + HG3 ARG 54 OK 60 71 - 85 - 3.0=76, ~2326=7, ~2324=5...(16) HB2 ARG 84 - HG3 ARG 84 OK 23 28 - 83 - 3.0=76, 3379/1.8=6...(13) HB2 ARG 84 - HG2 ARG 84 OK 23 28 - 83 - 3.0=76, 3379/1.8=6...(13) HB2 LEU 62 - HG3 ARG 54 OK 22 90 - 25 - 2575=4, 5777/4.8=2...(11) HB2 LEU 57 - HG LEU 62 OK 22 83 - 27 - ~4599=3, 4982=3...(12) HB2 ARG 54 - HG LEU 62 OK 19 85 - 23 - 2310=3, 2594/2.1=2...(7) HB2 LEU 43 - HG LEU 64 OK 16 44 - 35 - 2015/2.1=3, 2014/2.1=3...(22) HB2 LYS 32 - HG3 ARG 54 OK 13 53 - 24 - 2325/1.8=2, ~2325=1...(8) HB3 LYS 32 - HG3 ARG 54 OK 13 53 - 24 - 2325/1.8=2, ~2325=1...(8) HB2 LEU 43 - HG LEU 62 OK 13 78 - 16 - 2594/2.1=2, 3.1/5213=1...(4) HG2 PRO 34 - HG3 ARG 54 OK 11 81 - 13 - 4246/5950=1 HB2 LEU 62 - HG LEU 64 poor 9 66 - 14 - 2575=1, 2576/2.1=1 HB2 LEU 57 - HG3 ARG 54 poor 8 69 - 12 - 4982=1, 1.8/4983=1, 4982/3.0=1 HB ILE 33 - HG LEU 64 poor 7 44 - 16 - ~5026=2, ~5025=2...(8) HB2 LEU 57 - HG LEU 64 poor 7 47 - 15 - ~5025=2, ~5026=2...(8) HG3 ARG 26 - HG LEU 62 lone 7 100 - 7 - 2594/2.1=1, 3.7/5394=1 HB ILE 33 - HG3 ARG 54 poor 7 65 - 10 - 4219/1.8=1, ~4570=1 HG3 ARG 71 - HG LEU 62 lone 6 100 - 6 - HB3 ARG 82 - HG LEU 64 poor 5 49 - 10 - 1.8/5480=2 HB ILE 33 - HG LEU 62 lone 5 78 - 6 - HB3 ARG 17 - HG LEU 64 lone 5 65 - 8 - HB3 ARG 82 - HG3 ARG 54 lone 5 71 - 7 - HG2 PRO 34 - HG LEU 62 lone 4 95 - 4 - HB2 ARG 84 - HG LEU 62 lone 4 83 - 4 - HB2 LYS 32 - HG LEU 62 lone 3 65 - 5 - HB3 LYS 32 - HG LEU 62 lone 3 65 - 5 - HG3 ARG 71 - HG2 ARG 84 lone 3 39 - 8 - HG3 ARG 71 - HG3 ARG 84 lone 3 39 - 8 - HG3 ARG 71 - HG3 ARG 23 lone 3 43 - 7 - HB3 ARG 17 - HG LEU 62 lone 3 100 - 3 - HB3 ARG 17 - HG2 ARG 84 lone 3 40 - 7 - HB3 ARG 17 - HG3 ARG 84 lone 3 40 - 7 - HB2 ARG 54 - HG LEU 64 lone 3 49 - 5 - HB2 LEU 62 - HG2 ARG 84 lone 2 40 - 6 - HB2 LEU 62 - HG3 ARG 84 lone 2 40 - 6 - HB2 LEU 43 - HG3 ARG 54 lone 2 65 - 4 - HB3 ARG 82 - HG3 ARG 23 lone 2 32 - 7 - 1.8/5480=1 HB3 ARG 17 - HG3 ARG 23 lone 2 43 - 5 - HG3 ARG 71 - HG LEU 64 lone 2 64 - 3 - HG3 ARG 26 - HG LEU 64 lone 2 65 - 3 - HB3 LYS 85 - HG2 ARG 84 lone 2 24 - 8 - 6062/3.9=1, 3385/3.0=1 HB3 LYS 85 - HG3 ARG 84 lone 2 24 - 8 - 6062/3.9=1, 3385/3.0=1 HB3 LYS 85 - HG LEU 62 lone 2 73 - 2 - HG3 ARG 26 - HG3 ARG 23 lone 1 43 - 3 - HB3 ARG 82 - HG LEU 62 lone 1 85 - 1 - HG3 ARG 71 - HG3 ARG 54 lone 1 89 - 1 - HG3 ARG 26 - HG3 ARG 84 lone 1 40 - 3 - HG3 ARG 26 - HG2 ARG 84 lone 1 40 - 3 - HB3 LYS 32 - HG LEU 64 lone 1 36 - 3 - HB2 LYS 32 - HG LEU 64 lone 1 36 - 3 - HB3 LYS 83 - HG2 ARG 84 lone 1 19 - 6 - 842/5.0=1 HB3 LYS 83 - HG3 ARG 84 lone 1 19 - 6 - 842/5.0=1 HB2 ARG 84 - HG3 ARG 54 lone 1 69 - 1 - HB3 ARG 17 - HG3 ARG 54 lone 1 90 - 1 - HB2 LEU 62 - HG3 ARG 23 lone 1 44 - 2 - HB2 ARG 54 - HG3 ARG 84 lone 1 29 - 3 - HB2 ARG 54 - HG2 ARG 84 lone 1 29 - 3 - HB3 LYS 32 - HG2 ARG 84 lone 1 21 - 4 - HB3 LYS 32 - HG3 ARG 84 lone 1 21 - 4 - HB2 LYS 32 - HG2 ARG 84 lone 1 21 - 4 - HB2 LYS 32 - HG3 ARG 84 lone 1 21 - 4 - HB3 ARG 82 - HG2 ARG 84 lone 1 29 - 3 - HB3 ARG 82 - HG3 ARG 84 lone 1 29 - 3 - HG2 PRO 34 - HG LEU 64 lone 1 57 - 1 - HG3 ARG 26 - HG3 ARG 54 lone 1 90 - 1 - HB2 LEU 43 - HG3 ARG 84 lone 1 26 - 3 - HB2 LEU 43 - HG2 ARG 84 lone 1 26 - 3 - HB2 ARG 54 - HG3 ARG 23 lone 1 32 - 2 - HB3 LYS 83 - HG LEU 62 lone 1 60 - 1 - HG2 PRO 34 - HG2 ARG 84 lone 1 34 - 1 - HG2 PRO 34 - HG3 ARG 84 lone 1 34 - 1 - HB3 LYS 83 - HG LEU 64 lone 1 32 - 2 - HB3 LYS 85 - HG LEU 64 lone 0 41 - 1 - HG2 PRO 34 - HG3 ARG 23 lone 0 38 - 1 - HB2 ARG 84 - HG LEU 64 lone 0 47 - 1 - HB2 ARG 84 - HG3 ARG 23 lone 0 31 - 1 - HB2 LEU 57 - HG3 ARG 23 lone 0 31 - 1 - HB3 LYS 85 - HG3 ARG 54 lone 0 60 - 1 - HB3 LYS 83 - HG3 ARG 54 lone 0 49 - 1 - HB2 LEU 43 - HG3 ARG 23 lone 0 28 - 1 - HB2 LEU 57 - HG3 ARG 84 lone 0 28 - 1 - HB2 LEU 57 - HG2 ARG 84 lone 0 28 - 1 - HB ILE 33 - HG3 ARG 23 lone 0 28 - 1 - HB2 LYS 32 - HG3 ARG 23 lone 0 23 - 1 - HB3 LYS 32 - HG3 ARG 23 lone 0 23 - 1 - HB3 LYS 85 - HG3 ARG 23 lone 0 26 - 1 - HB ILE 33 - HG3 ARG 84 lone 0 26 - 1 - HB ILE 33 - HG2 ARG 84 lone 0 26 - 1 - HB3 LYS 83 - HG3 ARG 23 lone 0 20 - 1 - Peak 2588 from cnoeabs.peaks (1.59, 1.57, 26.98 ppm; diagonal): 2 out of 4 assignments used, quality = 0.96: HG3 ARG 54 + HG3 ARG 54 OK 83 83 - 100 HG LEU 62 + HG LEU 62 OK 78 78 - 100 HG3 ARG 84 - HG3 ARG 84 OK 39 39 - 100 HG2 ARG 84 - HG2 ARG 84 OK 39 39 - 100 Reference assignment not found: HB3 LEU 62 - HG LEU 62 Peak 2589 from cnoeabs.peaks (1.57, 1.57, 26.98 ppm; diagonal): 2 out of 6 assignments used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 HG3 ARG 54 + HG3 ARG 54 OK 85 85 - 100 HG LEU 64 - HG LEU 64 OK 37 37 - 100 HG3 ARG 23 - HG3 ARG 23 OK 25 25 - 100 HG3 ARG 84 - HG3 ARG 84 OK 21 21 - 100 HG2 ARG 84 - HG2 ARG 84 OK 21 21 - 100 Peak 2590 from cnoeabs.peaks (0.93, 1.57, 26.98 ppm; 3.29 A): 1 out of 48 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 - HG LEU 64 OK 39 39 - 100 - 2.1=100 QD2 LEU 43 - HG LEU 64 OK 30 55 - 55 - 2042/2.1=7, 2041/3.0=5...(29) QD2 LEU 62 - HG3 ARG 54 OK 29 90 - 33 - 5004/1.8=4, 2596=4...(12) QD2 LEU 43 - HG LEU 62 OK 29 92 - 31 - 2576/3.0=3, 5213=3...(15) QG2 ILE 40 - HG LEU 62 OK 20 100 - 20 - 2576/3.0=3, 4310/4.3=3...(6) HG12 ILE 68 - HG LEU 62 OK 16 98 - 16 - 2.1/4759=4, 2576/3.0=2...(5) QD1 LEU 64 - HG LEU 62 OK 15 71 - 22 - 2576/3.0=2, 2651=2...(10) QD2 LEU 62 - HG LEU 64 OK 15 66 - 22 - 2596=2, 2646/2.1=1...(7) HG12 ILE 68 - HG LEU 64 OK 14 62 - 24 - 2.1/4759=10, ~6102=4...(6) QG2 ILE 40 - HG LEU 64 OK 12 66 - 19 - 5212/4.3=1, ~6103=1...(5) QG2 VAL 41 - HG LEU 64 OK 12 64 - 19 - 4337/4.3=3, ~6102=2...(9) QG2 VAL 41 - HG LEU 62 OK 10 100 - 10 - 2576/3.0=1, 2569/4.3=1 QD1 LEU 64 - HG3 ARG 23 OK 10 25 - 41 - 2651=4, ~1289=4...(17) QD2 LEU 43 - HG3 ARG 54 poor 8 78 - 10 - 2037/4.9=2, 4387/3.7=1...(4) QG2 VAL 76 - HG LEU 62 lone 7 98 - 7 - QG1 VAL 76 - HG LEU 62 lone 7 98 - 7 - QG2 ILE 40 - HG3 ARG 54 lone 5 90 - 6 - 1936/4.0=1, 4.0/6076=1 QD2 LEU 62 - HG3 ARG 84 lone 3 40 - 8 - QD2 LEU 62 - HG2 ARG 84 lone 3 40 - 8 - QG2 VAL 41 - HG3 ARG 54 lone 3 89 - 4 - 4330/4.0=1 HG12 ILE 68 - HG3 ARG 23 lone 3 41 - 8 - 2.1/4759=4, ~5251=1 QG1 VAL 76 - HG LEU 64 lone 3 62 - 5 - QG2 VAL 76 - HG LEU 64 lone 3 62 - 5 - QD1 LEU 64 - HG3 ARG 54 lone 3 58 - 4 - QD2 LEU 43 - HG2 ARG 84 lone 2 33 - 6 - QD2 LEU 43 - HG3 ARG 84 lone 2 33 - 6 - QD2 LEU 62 - HG3 ARG 23 lone 2 44 - 4 - HG12 ILE 68 - HG3 ARG 54 lone 2 86 - 2 - QG2 VAL 41 - HG2 ARG 84 lone 1 39 - 3 - 5625/3.9=1 QG2 VAL 41 - HG3 ARG 84 lone 1 39 - 3 - 5625/3.9=1 QG2 ILE 40 - HG3 ARG 23 lone 1 44 - 2 - QG2 VAL 41 - HG3 ARG 23 lone 1 43 - 2 - QG2 VAL 76 - HG3 ARG 54 lone 1 86 - 1 - QG1 VAL 76 - HG3 ARG 54 lone 1 86 - 1 - QD2 LEU 43 - HG3 ARG 23 lone 1 36 - 2 - QG2 ILE 40 - HG2 ARG 84 lone 1 40 - 2 - QG2 ILE 40 - HG3 ARG 84 lone 1 40 - 2 - QD1 LEU 64 - HG2 ARG 84 lone 1 23 - 3 - QD1 LEU 64 - HG3 ARG 84 lone 1 23 - 3 - QG2 VAL 76 - HG3 ARG 84 lone 1 37 - 2 - QG2 VAL 76 - HG2 ARG 84 lone 1 37 - 2 - QG1 VAL 76 - HG2 ARG 84 lone 1 37 - 2 - QG1 VAL 76 - HG3 ARG 84 lone 1 37 - 2 - QG1 VAL 76 - HG3 ARG 23 lone 0 41 - 1 - QG2 VAL 76 - HG3 ARG 23 lone 0 41 - 1 - HG12 ILE 68 - HG3 ARG 84 lone 0 37 - 1 - HG12 ILE 68 - HG2 ARG 84 lone 0 37 - 1 - Peak 2591 from cnoeabs.peaks (0.87, 1.57, 26.98 ppm; 3.49 A): 3 out of 36 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 + HG LEU 62 OK 59 99 - 59 - 2598/2.1=8, 2577/3.0=7...(32) HG LEU 51 + HG3 ARG 54 OK 49 73 - 67 - ~5145=10, ~5144=8...(29) QD1 LEU 86 - HG LEU 62 OK 42 93 - 45 - 2598/2.1=5, 2577/3.0=5...(18) QD1 LEU 62 - HG3 ARG 54 OK 31 90 - 35 - ~5004=3, 2.1/2596=3...(16) HG LEU 51 - HG LEU 62 OK 30 87 - 34 - 2598/2.1=4, 2577/3.0=3...(15) QD1 LEU 29 - HG LEU 64 OK 23 64 - 36 - ~1503=3, ~2652=3...(18) QD1 LEU 62 - HG LEU 64 OK 14 66 - 22 - 2.1/2596=2, ~2646=1...(11) QD1 LEU 86 - HG LEU 64 OK 11 56 - 20 - ~2652=2, ~2631=1...(5) QD1 LEU 86 - HG3 ARG 54 lone 8 80 - 9 - QD1 LEU 29 - HG3 ARG 84 poor 7 39 - 19 - 2.1/1500=2, 3.1/1486=1...(5) QD1 LEU 29 - HG2 ARG 84 poor 7 39 - 19 - 2.1/1500=2, 3.1/1486=1...(5) HG LEU 51 - HG LEU 64 poor 6 51 - 11 - ~4520=2, 5684/4.8=2...(5) QD1 LEU 29 - HG3 ARG 54 lone 5 88 - 6 - QG2 VAL 90 - HG LEU 62 lone 4 71 - 5 - QG1 VAL 90 - HG LEU 62 lone 4 68 - 5 - QD1 LEU 62 - HG3 ARG 84 lone 4 40 - 9 - QD1 LEU 62 - HG2 ARG 84 lone 4 40 - 9 - QD1 LEU 86 - HG3 ARG 84 lone 3 34 - 7 - QD1 LEU 86 - HG2 ARG 84 lone 3 34 - 7 - QD1 LEU 62 - HG3 ARG 23 lone 2 44 - 4 - QD1 LEU 29 - HG3 ARG 23 lone 2 42 - 4 - HG LEU 51 - HG3 ARG 84 lone 1 30 - 4 - HG LEU 51 - HG2 ARG 84 lone 1 30 - 4 - QD1 LEU 86 - HG3 ARG 23 lone 1 37 - 3 - QG2 VAL 90 - HG3 ARG 54 lone 1 58 - 1 - QG1 VAL 90 - HG3 ARG 54 lone 1 56 - 1 - HG LEU 51 - HG3 ARG 23 lone 1 33 - 2 - QG2 VAL 90 - HG LEU 64 lone 0 39 - 1 - QG1 VAL 90 - HG LEU 64 lone 0 37 - 1 - QG2 VAL 90 - HG3 ARG 84 lone 0 23 - 1 - QG2 VAL 90 - HG2 ARG 84 lone 0 23 - 1 - QG1 VAL 90 - HG2 ARG 84 lone 0 22 - 1 - QG1 VAL 90 - HG3 ARG 84 lone 0 22 - 1 - QG2 VAL 90 - HG3 ARG 23 lone 0 25 - 1 - QG1 VAL 90 - HG3 ARG 23 lone 0 24 - 1 - Peak 2592 from cnoeabs.peaks (8.82, 0.93, 24.73 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 62 + QD2 LEU 62 OK 99 100 - 99 - 4.8=95, 2571/3.1=27...(20) H THR 37 + QD2 LEU 62 OK 65 98 - 66 - 2571/3.1=14, 2564/4.0=12...(16) Peak 2593 from cnoeabs.peaks (3.92, 0.93, 24.73 ppm; 3.37 A): 2 out of 6 assignments used, quality = 0.94: * HA LEU 62 + QD2 LEU 62 OK 89 100 - 89 - 4.0=61, 2570/2.1=12...(33) HA THR 37 + QD2 LEU 62 OK 44 96 - 46 - 3.0/2592=6, 4280=6...(17) HA2 GLY 18 - QD2 LEU 62 OK 16 100 - 16 - 2572/3.1=2, 2600/2.1=2...(7) HA3 GLY 18 - QD2 LEU 62 OK 16 100 - 16 - 2572/3.1=2, 2600/2.1=2...(7) HA3 GLY 21 - QD2 LEU 62 lone 4 65 - 6 - HA2 GLY 21 - QD2 LEU 62 lone 3 63 - 6 - Peak 2594 from cnoeabs.peaks (1.75, 0.93, 24.73 ppm; 3.56 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 3.1=100 HB2 LEU 57 - QD2 LEU 62 OK 35 83 - 43 - 1.8/4599=8, 4982/2.1=5...(12) HB2 ARG 54 - QD2 LEU 62 OK 29 85 - 35 - 3.0/5004=4, 2310/2.1=3...(17) HB2 LEU 43 - QD2 LEU 62 OK 28 78 - 36 - 1.8/2022=3, 2015=3...(18) HG3 ARG 26 - QD2 LEU 62 OK 18 100 - 18 - 4.9/5962=3, 3.0/5958=2...(5) HG3 ARG 71 - QD2 LEU 62 OK 13 100 - 13 - 5.0/5834=1, 3.0/5958=1 HB ILE 33 - QD2 LEU 62 OK 11 78 - 14 - 3.0/5002=2, 4229/4.0=2 HB2 ARG 84 - QD2 LEU 62 lone 8 83 - 9 - HG2 PRO 34 - QD2 LEU 62 lone 7 95 - 7 - HB2 LYS 32 - QD2 LEU 62 lone 6 65 - 10 - 2.9/5004=2 HB3 LYS 32 - QD2 LEU 62 lone 6 65 - 10 - 2.9/5004=2 HB3 ARG 17 - QD2 LEU 62 lone 6 100 - 6 - HB3 ARG 82 - QD2 LEU 62 lone 3 85 - 3 - HB3 LYS 85 - QD2 LEU 62 lone 3 73 - 4 - HB3 LYS 83 - QD2 LEU 62 lone 1 60 - 2 - Peak 2595 from cnoeabs.peaks (1.59, 0.93, 24.73 ppm; 3.22 A): 3 out of 17 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 3.1=100 HG LEU 62 + QD2 LEU 62 OK 78 78 - 100 - 2.1=100 HB3 LEU 29 + QD2 LEU 62 OK 48 99 - 49 - 3.1/2598=5, 2583=4...(21) HB3 LEU 51 - QD2 LEU 62 OK 32 97 - 34 - 1.8/5004=5, 2227/2.1=4...(12) HG LEU 86 - QD2 LEU 62 OK 30 97 - 31 - 2.1/2598=5, 2574/3.1=2...(12) HG3 ARG 54 - QD2 LEU 62 OK 28 96 - 29 - 1.8/5004=4, 2590=3...(12) HB2 LEU 86 - QD2 LEU 62 OK 23 68 - 34 - 3.1/2598=4, 3525/2.1=2...(14) HB3 LEU 86 - QD2 LEU 62 OK 22 71 - 31 - 3.1/2598=4, 2583=2...(13) HD3 LYS 39 - QD2 LEU 62 OK 11 99 - 11 - 3.0/4896=1 HD2 LYS 39 - QD2 LEU 62 OK 11 100 - 11 - 3.0/4896=1 HG2 ARG 84 - QD2 LEU 62 lone 8 100 - 8 - HG3 ARG 84 - QD2 LEU 62 lone 8 100 - 8 - HD2 LYS 73 - QD2 LEU 62 lone 7 78 - 8 - 2.9/5005=1 HD3 LYS 73 - QD2 LEU 62 lone 7 78 - 8 - 2.9/5005=1 HG3 ARG 70 - QD2 LEU 62 lone 6 73 - 8 - 5.0/5834=1 HD2 LYS 32 - QD2 LEU 62 lone 6 78 - 7 - 3.0/5004=1 HD3 LYS 32 - QD2 LEU 62 lone 5 73 - 7 - 3.0/5004=1 Peak 2596 from cnoeabs.peaks (1.57, 0.93, 24.73 ppm; 3.11 A): 2 out of 13 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 HB3 LEU 62 + QD2 LEU 62 OK 78 78 - 100 - 3.1=100 HB3 LEU 29 - QD2 LEU 62 OK 42 93 - 45 - 3.1/2598=5, ~1488=3...(21) HB3 LEU 86 - QD2 LEU 62 OK 31 100 - 31 - 3.1/2598=3, 2575/3.1=2...(13) HG3 ARG 54 - QD2 LEU 62 OK 27 97 - 28 - 1.8/5004=3, 2590=3...(10) HB3 ARG 54 - QD2 LEU 62 OK 23 87 - 26 - 1.8/2594=3, 3.0/5004=3...(8) HG LEU 64 - QD2 LEU 62 OK 15 68 - 23 - 2.1/2646=2, 2590=1...(5) HG2 LYS 39 - QD2 LEU 62 OK 10 87 - 12 - 1.8/4896=1 HD3 LYS 39 - QD2 LEU 62 lone 9 90 - 10 - 3.0/4896=1 HD2 LYS 39 - QD2 LEU 62 lone 9 89 - 10 - 3.0/4896=1 HG3 ARG 84 - QD2 LEU 62 lone 4 65 - 7 - HG2 ARG 84 - QD2 LEU 62 lone 4 65 - 7 - HG3 ARG 23 - QD2 LEU 62 lone 3 71 - 4 - Peak 2597 from cnoeabs.peaks (0.93, 0.93, 24.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 Peak 2598 from cnoeabs.peaks (0.87, 0.93, 24.73 ppm; 2.93 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 - QD2 LEU 62 OK 39 99 - 40 - 2577/3.1=5, 2591/2.1=3...(12) QD1 LEU 86 - QD2 LEU 62 OK 26 93 - 28 - 2577/3.1=3, 2591/2.1=2...(8) HG LEU 51 - QD2 LEU 62 OK 21 87 - 24 - 3.0/5004=3, 2577/3.1=2...(12) QG2 VAL 90 - QD2 LEU 62 lone 3 71 - 3 - QG1 VAL 90 - QD2 LEU 62 lone 2 68 - 3 - Peak 2599 from cnoeabs.peaks (8.82, 0.87, 24.45 ppm; 4.33 A): 3 out of 6 assignments used, quality = 0.99: * H LEU 62 + QD1 LEU 62 OK 95 100 - 95 - 4.8=74, 2571/3.1=24...(15) H THR 37 + QD1 LEU 62 OK 57 98 - 58 - 2592/2.1=13, 2571/3.1=12...(13) H LEU 62 + QD1 LEU 29 OK 56 99 - 57 - 723=12, 249/2.1=9...(15) H LEU 62 - QD1 LEU 86 OK 39 90 - 43 - 723=9, 3.0/2570=6...(14) H THR 37 - QD1 LEU 29 lone 9 96 - 10 - 2571/2577=1, 2564/2570=1...(4) H THR 37 - QD1 LEU 86 lone 5 86 - 6 - 2571/2577=1, 2564/2570=1 Peak 2600 from cnoeabs.peaks (3.92, 0.87, 24.45 ppm; 3.42 A): 3 out of 18 assignments used, quality = 0.96: * HA LEU 62 + QD1 LEU 62 OK 89 100 - 89 - 4.0=63, 2593/2.1=17...(23) HA LEU 62 + QD1 LEU 29 OK 49 99 - 49 - 2570=9, 3.0/2577=7...(16) HA THR 37 + QD1 LEU 62 OK 39 96 - 40 - 2593/2.1=9, 2572/3.1=6...(13) HA LEU 62 - QD1 LEU 86 OK 34 90 - 37 - 2570=6, 3.0/2577=5...(11) HA2 GLY 18 - QD1 LEU 62 OK 17 100 - 17 - 2593/2.1=3, 2572/3.1=2...(7) HA3 GLY 18 - QD1 LEU 62 OK 17 100 - 17 - 2593/2.1=3, 2572/3.1=2...(7) HA THR 37 - QD1 LEU 29 lone 6 94 - 6 - ~4840=1 HA3 GLY 21 - QD1 LEU 62 lone 4 65 - 5 - HA THR 37 - QD1 LEU 86 lone 4 82 - 4 - HA2 GLY 21 - QD1 LEU 62 lone 3 63 - 5 - HA2 GLY 18 - QD1 LEU 29 lone 2 99 - 2 - HA3 GLY 18 - QD1 LEU 29 lone 2 98 - 2 - HA2 GLY 18 - QD1 LEU 86 lone 2 89 - 2 - HA3 GLY 18 - QD1 LEU 86 lone 2 89 - 2 - HA3 GLY 21 - QD1 LEU 29 lone 1 63 - 1 - HA2 GLY 21 - QD1 LEU 29 lone 1 61 - 1 - HA3 GLY 21 - QD1 LEU 86 lone 1 53 - 1 - HA2 GLY 21 - QD1 LEU 86 lone 1 51 - 1 - Peak 2601 from cnoeabs.peaks (1.75, 0.87, 24.45 ppm; 3.00 A): 2 out of 45 assignments used, quality = 0.98: * HB2 LEU 62 + QD1 LEU 62 OK 95 100 - 95 - 3.1=90, 2575/2.1=10...(18) HB2 LEU 62 + QD1 LEU 29 OK 49 99 - 49 - 2577=9, 3.1/2598=5...(18) HB2 LEU 62 - QD1 LEU 86 OK 33 90 - 37 - 2577=6, 3.0/2570=3...(10) HB2 LEU 57 - QD1 LEU 62 OK 24 83 - 30 - ~4599=4, 4982/2.1=4...(11) HB2 ARG 54 - QD1 LEU 62 OK 21 85 - 25 - 2594/2.1=3, 2310/2.1=2...(8) HB2 LEU 43 - QD1 LEU 62 OK 16 78 - 21 - 2594/2.1=2, ~2022=2...(4) HB2 LEU 43 - QD1 LEU 29 OK 16 76 - 21 - 2014/2.1=2, ~2021=2...(5) HG3 ARG 26 - QD1 LEU 62 OK 12 100 - 12 - 4.9/5516=2, 2594/2.1=2...(4) HB2 ARG 84 - QD1 LEU 29 OK 10 80 - 13 - HG3 ARG 71 - QD1 LEU 62 lone 9 100 - 9 - 2594/2.1=1 HG3 ARG 26 - QD1 LEU 29 lone 7 99 - 8 - 4.9/5516=2, 3.7/4805=1 HB ILE 33 - QD1 LEU 62 lone 7 78 - 9 - 4229/4.0=1 HB3 ARG 17 - QD1 LEU 86 lone 6 90 - 7 - HB3 ARG 82 - QD1 LEU 29 lone 6 83 - 8 - HG3 ARG 71 - QD1 LEU 29 lone 6 98 - 6 - HB2 LEU 43 - QD1 LEU 86 lone 5 65 - 8 - 2014/2.1=1 HG2 PRO 34 - QD1 LEU 62 lone 5 95 - 5 - HG3 ARG 26 - QD1 LEU 86 lone 5 90 - 5 - HB2 ARG 54 - QD1 LEU 86 lone 5 71 - 7 - HB2 ARG 84 - QD1 LEU 62 lone 5 83 - 6 - HB ILE 33 - QD1 LEU 29 lone 4 76 - 6 - HG3 ARG 71 - QD1 LEU 86 lone 4 89 - 5 - HB3 LYS 32 - QD1 LEU 62 lone 4 65 - 6 - HB2 LYS 32 - QD1 LEU 62 lone 4 65 - 6 - HB3 ARG 17 - QD1 LEU 62 lone 4 100 - 4 - HB2 ARG 84 - QD1 LEU 86 lone 4 69 - 5 - HB3 LYS 85 - QD1 LEU 86 lone 4 60 - 6 - 387/4.8=2 HB3 LYS 85 - QD1 LEU 29 lone 4 71 - 5 - HG2 PRO 34 - QD1 LEU 86 lone 4 81 - 4 - 1721/4.0=1 HB2 ARG 54 - QD1 LEU 29 lone 3 83 - 4 - HB2 LEU 57 - QD1 LEU 29 lone 3 80 - 4 - HB2 LYS 32 - QD1 LEU 29 lone 3 63 - 5 - HB3 LYS 32 - QD1 LEU 29 lone 3 63 - 5 - HB2 LEU 57 - QD1 LEU 86 lone 3 69 - 4 - HB3 ARG 17 - QD1 LEU 29 lone 2 99 - 2 - HB ILE 33 - QD1 LEU 86 lone 2 65 - 3 - HB2 LYS 32 - QD1 LEU 86 lone 2 53 - 3 - HB3 LYS 32 - QD1 LEU 86 lone 2 53 - 3 - HB3 LYS 85 - QD1 LEU 62 lone 2 73 - 2 - HB3 ARG 82 - QD1 LEU 62 lone 2 85 - 2 - HG2 PRO 34 - QD1 LEU 29 lone 2 93 - 2 - HB3 LYS 83 - QD1 LEU 29 lone 2 58 - 3 - HB3 ARG 82 - QD1 LEU 86 lone 1 71 - 1 - HB3 LYS 83 - QD1 LEU 86 lone 1 48 - 2 - HB3 LYS 83 - QD1 LEU 62 lone 1 60 - 1 - Peak 2602 from cnoeabs.peaks (1.59, 0.87, 24.45 ppm; 2.92 A): 7 out of 51 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 91 100 - 91 - 3.1=82, 1.8/2601=7...(16) HB3 LEU 29 + QD1 LEU 29 OK 89 97 - 92 - 3.1=82, 1500/2.1=10...(15) HG LEU 86 + QD1 LEU 86 OK 85 85 - 100 - 2.1=100 HG LEU 62 + QD1 LEU 62 OK 78 78 - 100 - 2.1=100 HB3 LEU 86 + QD1 LEU 86 OK 51 58 - 89 - 3.1=84, 3529/2.1=4...(12) HB2 LEU 86 + QD1 LEU 86 OK 49 55 - 89 - 3.1=84, ~3549=4...(11) HB3 LEU 62 + QD1 LEU 29 OK 46 99 - 46 - 1.8/2577=7, 1494/2.1=5...(20) HB3 LEU 29 - QD1 LEU 86 OK 43 87 - 50 - 1.8/1488=6, 3.0/6115=4...(23) HG LEU 86 - QD1 LEU 29 OK 43 96 - 46 - 1500/2.1=4, 2.1/3553=3...(26) HB3 LEU 29 - QD1 LEU 62 OK 41 99 - 42 - 1.8/1488=6, 3.0/6115=4...(17) HG LEU 62 - QD1 LEU 29 OK 33 76 - 44 - 2.1/2598=6, 3.0/2577=5...(16) HB3 LEU 86 - QD1 LEU 29 OK 31 69 - 46 - 1500/2.1=4, 1.8/3525=4...(23) HB3 LEU 62 - QD1 LEU 86 OK 29 90 - 32 - 1.8/2577=5, 3.1/2598=3...(10) HB2 LEU 86 - QD1 LEU 29 OK 28 66 - 43 - 3525=3, 3.0/3518=3...(23) HB3 LEU 51 - QD1 LEU 62 OK 26 97 - 27 - 2227=3, ~5004=3...(11) HG LEU 86 - QD1 LEU 62 OK 26 97 - 26 - 3537/2.1=2, ~2598=2...(12) HG3 ARG 54 - QD1 LEU 62 OK 22 96 - 24 - ~5004=2, 2591=2, ~2326=2...(10) HB3 LEU 51 - QD1 LEU 86 OK 21 84 - 25 - 2227=3, 3.1/2248=2...(8) HB3 LEU 51 - QD1 LEU 29 OK 20 95 - 21 - 2227=3, 3.1/2248=2...(8) HG LEU 62 - QD1 LEU 86 OK 18 65 - 29 - 2.1/2598=4, 3.0/2577=3...(6) HB3 LEU 86 - QD1 LEU 62 OK 18 71 - 26 - 1.8/3525=2, 3.0/3518=2...(9) HB2 LEU 86 - QD1 LEU 62 OK 18 68 - 27 - 3525=2, 3.0/3518=2...(9) HG2 ARG 84 - QD1 LEU 29 OK 14 98 - 14 - 1500/2.1=1, 1486/3.1=1 HG3 ARG 84 - QD1 LEU 29 OK 14 98 - 14 - 1500/2.1=1, 1486/3.1=1 HD2 LYS 39 - QD1 LEU 86 OK 11 89 - 12 - ~5206=1 HD3 LYS 39 - QD1 LEU 86 OK 11 88 - 12 - ~5206=1 HD3 LYS 39 - QD1 LEU 62 lone 8 99 - 8 - HD2 LYS 39 - QD1 LEU 62 lone 8 100 - 8 - HD2 LYS 39 - QD1 LEU 29 lone 6 98 - 6 - HD3 LYS 39 - QD1 LEU 29 lone 6 98 - 6 - HG3 ARG 70 - QD1 LEU 29 lone 6 71 - 9 - HG2 ARG 84 - QD1 LEU 62 lone 6 100 - 6 - HG3 ARG 84 - QD1 LEU 62 lone 6 100 - 6 - HG2 ARG 84 - QD1 LEU 86 lone 5 89 - 6 - HG3 ARG 84 - QD1 LEU 86 lone 5 89 - 6 - HG3 ARG 54 - QD1 LEU 86 lone 5 82 - 6 - HG3 ARG 70 - QD1 LEU 86 lone 5 60 - 8 - HG3 ARG 70 - QD1 LEU 62 lone 5 73 - 6 - HD2 LYS 73 - QD1 LEU 62 lone 4 78 - 5 - HD3 LYS 73 - QD1 LEU 62 lone 4 78 - 5 - HG3 ARG 54 - QD1 LEU 29 lone 4 94 - 4 - HD2 LYS 73 - QD1 LEU 29 lone 4 76 - 5 - HD3 LYS 73 - QD1 LEU 29 lone 4 76 - 5 - HD2 LYS 32 - QD1 LEU 62 lone 4 78 - 4 - HD3 LYS 32 - QD1 LEU 62 lone 3 73 - 5 - HD3 LYS 73 - QD1 LEU 86 lone 3 65 - 4 - HD2 LYS 73 - QD1 LEU 86 lone 3 65 - 4 - HD2 LYS 32 - QD1 LEU 29 lone 2 76 - 3 - HD3 LYS 32 - QD1 LEU 29 lone 2 71 - 3 - HD2 LYS 32 - QD1 LEU 86 lone 2 65 - 3 - HD3 LYS 32 - QD1 LEU 86 lone 2 60 - 3 - Peak 2603 from cnoeabs.peaks (1.57, 0.87, 24.45 ppm; 2.77 A): 4 out of 39 assignments used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 HB3 LEU 29 + QD1 LEU 29 OK 77 91 - 85 - 3.1=71, 1494/2.1=9...(15) HB3 LEU 86 + QD1 LEU 86 OK 72 90 - 81 - 3.1=72, 3537/2.1=6...(10) HB3 LEU 62 + QD1 LEU 62 OK 65 78 - 83 - 3.1=71, 1.8/2601=7...(15) HB3 LEU 86 - QD1 LEU 29 OK 42 99 - 42 - 1500/2.1=4, 1.8/3525=3...(19) HG LEU 62 - QD1 LEU 29 OK 39 99 - 40 - 2.1/2598=6, 3.0/2577=4...(15) HB3 LEU 29 - QD1 LEU 86 OK 38 80 - 47 - 1.8/1488=6, 3.0/6115=4...(20) HB3 LEU 29 - QD1 LEU 62 OK 34 93 - 36 - 1.8/1488=5, 3.0/6115=4...(16) HB3 LEU 62 - QD1 LEU 29 OK 31 76 - 41 - 1.8/2577=6, 1494/2.1=4...(14) HG LEU 62 - QD1 LEU 86 OK 26 90 - 29 - 2.1/2598=4, 3.0/2577=3...(10) HB3 LEU 86 - QD1 LEU 62 OK 24 100 - 25 - 1.8/3525=2, 2575/3.1=2...(9) HG3 ARG 54 - QD1 LEU 62 OK 21 97 - 22 - 2591=2, ~5004=2...(11) HB3 LEU 62 - QD1 LEU 86 OK 19 65 - 29 - 1.8/2577=4, 3.1/2598=3...(11) HB3 ARG 54 - QD1 LEU 62 OK 17 87 - 20 - 3.0/5365=2, 1.8/2601=1...(7) HG LEU 64 - QD1 LEU 29 OK 16 66 - 24 - ~1503=2, ~2652=2...(14) HG2 LYS 39 - QD1 LEU 86 OK 11 73 - 15 - ~5206=2, 1869/2.1=1, 3551/2.1=1 HG LEU 64 - QD1 LEU 62 OK 10 68 - 15 - HD3 LYS 39 - QD1 LEU 86 poor 9 76 - 12 - ~5206=1 HD2 LYS 39 - QD1 LEU 86 poor 9 75 - 12 - ~5206=1 HG2 LYS 39 - QD1 LEU 62 lone 8 87 - 9 - HG2 ARG 84 - QD1 LEU 29 poor 8 63 - 12 - 1500/2.1=1 HG3 ARG 84 - QD1 LEU 29 poor 8 63 - 12 - 1500/2.1=1 HG LEU 64 - QD1 LEU 86 poor 7 55 - 13 - HD3 LYS 39 - QD1 LEU 62 lone 6 90 - 7 - HD2 LYS 39 - QD1 LEU 62 lone 6 89 - 7 - HG3 ARG 54 - QD1 LEU 86 lone 5 85 - 6 - HG2 LYS 39 - QD1 LEU 29 lone 5 85 - 5 - HB3 ARG 54 - QD1 LEU 86 lone 5 73 - 6 - HD3 LYS 39 - QD1 LEU 29 lone 5 88 - 5 - HD2 LYS 39 - QD1 LEU 29 lone 5 86 - 5 - HG3 ARG 54 - QD1 LEU 29 lone 3 96 - 3 - HG3 ARG 84 - QD1 LEU 62 lone 3 65 - 5 - HG2 ARG 84 - QD1 LEU 62 lone 3 65 - 5 - HB3 ARG 54 - QD1 LEU 29 lone 3 85 - 3 - HG3 ARG 84 - QD1 LEU 86 lone 2 53 - 4 - HG2 ARG 84 - QD1 LEU 86 lone 2 53 - 4 - HG3 ARG 23 - QD1 LEU 62 lone 2 71 - 2 - HG3 ARG 23 - QD1 LEU 29 lone 2 69 - 2 - HG3 ARG 23 - QD1 LEU 86 lone 1 58 - 2 - Peak 2604 from cnoeabs.peaks (0.93, 0.87, 24.45 ppm; 2.40 A): 1 out of 24 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 QD2 LEU 62 - QD1 LEU 29 OK 25 99 - 26 - 3.1/2577=3, 2.1/2591=2...(9) QD2 LEU 62 - QD1 LEU 86 OK 16 90 - 18 - 3.1/2577=2, 2.1/2591=1...(5) QD1 LEU 64 - QD1 LEU 29 OK 12 69 - 18 - 2652/2.1=2, ~1503=1, 2650/2.1=1 QD2 LEU 43 - QD1 LEU 62 OK 12 92 - 13 - 2576/3.1=2, 5213/2.1=1 QD2 LEU 43 - QD1 LEU 29 OK 12 90 - 14 - 2042/2.1=2, 2039/3.1=1 QG2 ILE 40 - QD1 LEU 62 lone 10 100 - 10 - 4310/4.0=1, 2576/3.1=1 HG12 ILE 68 - QD1 LEU 62 lone 8 98 - 8 - ~4759=1 QD1 LEU 64 - QD1 LEU 62 lone 7 71 - 10 - QD2 LEU 43 - QD1 LEU 86 lone 5 78 - 6 - QG2 VAL 41 - QD1 LEU 62 lone 5 100 - 5 - QD1 LEU 64 - QD1 LEU 86 lone 5 58 - 8 - 2652/2.1=1 QG2 VAL 76 - QD1 LEU 62 lone 3 98 - 3 - QG1 VAL 76 - QD1 LEU 62 lone 3 98 - 3 - HG12 ILE 68 - QD1 LEU 86 lone 3 86 - 3 - 2763/4.9=1 QG2 ILE 40 - QD1 LEU 86 lone 3 90 - 3 - QG2 ILE 40 - QD1 LEU 29 lone 2 99 - 2 - QG2 VAL 41 - QD1 LEU 29 lone 2 98 - 2 - QG2 VAL 76 - QD1 LEU 29 lone 2 96 - 2 - QG1 VAL 76 - QD1 LEU 29 lone 2 96 - 2 - HG12 ILE 68 - QD1 LEU 29 lone 1 96 - 2 - QG2 VAL 41 - QD1 LEU 86 lone 1 89 - 1 - QG1 VAL 76 - QD1 LEU 86 lone 1 86 - 1 - QG2 VAL 76 - QD1 LEU 86 lone 1 86 - 1 - Peak 2605 from cnoeabs.peaks (0.87, 0.87, 24.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 QD1 LEU 29 + QD1 LEU 29 OK 98 98 - 100 QD1 LEU 86 + QD1 LEU 86 OK 80 80 - 100 Peak 2606 from cnoeabs.peaks (7.98, 4.06, 55.02 ppm; 3.50 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 63 + HA ALA 63 OK 100 100 - 100 - 3.0=100 H ALA 30 - HA ALA 63 OK 24 100 - 25 - 4.6/5348=5, 79/3.0=4...(8) H LEU 29 - HA ALA 63 OK 22 68 - 32 - 4.0/5348=6, 908/3.0=5...(11) H GLY 72 - HA ALA 63 OK 16 95 - 17 - 312=4, 2609/2.1=2...(7) H ARG 69 - HA ALA 63 OK 15 100 - 15 - 2609/2.1=2, 940/3.0=2...(5) H ARG 70 - HA ALA 63 OK 11 71 - 16 - 295/3.0=2, 4.1/4684=2...(7) H LYS 73 - HA ALA 63 lone 8 85 - 10 - 789/2.1=2, 4.5/312=2 H VAL 76 - HA ALA 63 lone 5 87 - 6 - 261/3.6=2, 2609/2.1=1 Peak 2607 from cnoeabs.peaks (4.06, 4.06, 55.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 63 + HA ALA 63 OK 100 100 - 100 Peak 2608 from cnoeabs.peaks (1.49, 4.06, 55.02 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 63 + HA ALA 63 OK 100 100 - 100 - 2.1=100 HB3 LEU 52 - HA ALA 63 OK 15 95 - 16 - 263/3.6=4, 726/3.0=3...(5) HB3 LEU 57 - HA ALA 63 OK 11 87 - 12 - 726/3.0=3, 263/3.6=2, ~256=1 HG2 LYS 73 - HA ALA 63 lone 6 99 - 6 - 726/3.0=1 Peak 2609 from cnoeabs.peaks (7.98, 1.49, 17.50 ppm; 3.06 A): 1 out of 8 assignments used, quality = 1.00: * H ALA 63 + QB ALA 63 OK 100 100 - 100 - 2.9=100 H ALA 30 - QB ALA 63 OK 16 100 - 16 - 79/2.9=3, 2606/2.1=3...(5) H LEU 29 - QB ALA 63 OK 13 68 - 20 - 908/2.9=4, 2606/2.1=3...(7) H ARG 69 - QB ALA 63 OK 11 100 - 11 - 940/2.9=2, 2606/2.1=2, 261/3.6=1 H GLY 72 - QB ALA 63 lone 9 95 - 9 - 312/2.1=2, 3.6/2610=2...(4) H ARG 70 - QB ALA 63 lone 7 71 - 10 - 295/2.9=2, 2606/2.1=1...(5) H LYS 73 - QB ALA 63 lone 7 85 - 8 - 789=2, 2606/2.1=1 H VAL 76 - QB ALA 63 lone 5 87 - 5 - 261/3.6=1 Peak 2610 from cnoeabs.peaks (4.06, 1.49, 17.50 ppm; 2.94 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 63 + QB ALA 63 OK 100 100 - 100 - 2.1=100 HA ARG 71 - QB ALA 63 OK 10 93 - 11 - 725/2.9=2, 262/3.6=1, ~775=1 HA GLU 59 - QB ALA 63 poor 9 89 - 11 - 6099/2.9=4, 4645/5787=2 HA ARG 26 - QB ALA 63 lone 7 99 - 7 - 725/2.9=2 HA VAL 90 - QB ALA 63 lone 5 93 - 5 - HD2 PRO 44 - QB ALA 63 lone 3 73 - 4 - HA GLU 25 - QB ALA 63 lone 1 65 - 2 - Peak 2611 from cnoeabs.peaks (1.49, 1.49, 17.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 63 + QB ALA 63 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (7.42, 4.26, 57.87 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 H LEU 52 - HA LEU 64 OK 35 97 - 36 - 264/3.6=6, 2619/3.0=6...(10) H LYS 39 - HA LEU 64 OK 24 65 - 37 - 2626/3.0=4, 2619/3.0=4...(17) Peak 2613 from cnoeabs.peaks (4.26, 4.26, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 Peak 2614 from cnoeabs.peaks (1.97, 4.26, 57.87 ppm; 3.55 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HG LEU 43 + HA LEU 64 OK 55 89 - 63 - 2.1/2618=10, 2.1/2617=7...(25) QE MET 31 - HA LEU 64 OK 37 87 - 43 - 5082/3.0=12, 5081=8...(10) HG LEU 57 - HA LEU 64 OK 26 89 - 29 - ~5025=5, ~5026=5...(14) HB2 ARG 70 - HA LEU 64 OK 23 89 - 26 - 4.1/4693=3, 2628/3.0=2...(10) HB3 ARG 70 - HA LEU 64 OK 23 89 - 26 - 4.1/4693=3, 2628/3.0=2...(10) HG3 PRO 14 - HA LEU 64 OK 17 95 - 18 - 266/3.6=2, 2628/3.0=2...(5) HG2 PRO 14 - HA LEU 64 OK 17 95 - 18 - 266/3.6=2, 2628/3.0=2...(5) HB2 GLN 79 - HA LEU 64 lone 6 100 - 5 - HB3 GLN 79 - HA LEU 64 lone 3 76 - 4 - Peak 2615 from cnoeabs.peaks (1.70, 4.26, 57.87 ppm; 3.47 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 43 - HA LEU 64 OK 35 65 - 54 - 3.9/4694=8, 3.1/2618=8...(24) HB2 LEU 29 - HA LEU 64 OK 31 85 - 36 - 3.1/2617=4, 1487/3.0=4...(14) HG3 ARG 66 - HA LEU 64 OK 29 100 - 29 - 4.9/5789=9, 730/3.0=3...(8) HG LEU 29 - HA LEU 64 OK 27 76 - 36 - 2.1/2617=5, 1499/3.0=3...(17) HG2 ARG 70 - HA LEU 64 OK 21 97 - 22 - 730/3.0=2, 4.9/4693=2...(9) HB2 ARG 82 - HA LEU 64 OK 20 100 - 20 - 5480/4.3=3, 2.9/2616=2...(8) HG2 ARG 23 - HA LEU 64 OK 17 65 - 26 - 1.8/2616=4, ~2630=2...(11) HB3 LYS 13 - HA LEU 64 lone 6 90 - 7 - HB3 LYS 83 - HA LEU 64 lone 5 83 - 6 - HB3 LYS 85 - HA LEU 64 lone 2 71 - 3 - HB2 ARG 84 - HA LEU 64 lone 2 60 - 3 - Peak 2616 from cnoeabs.peaks (1.54, 4.26, 57.87 ppm; 3.71 A): 3 out of 7 assignments used, quality = 0.95: * HG LEU 64 + HA LEU 64 OK 87 100 - 87 - 4.3=66, 2.1/2618=17...(13) HG2 LYS 39 + HA LEU 64 OK 45 99 - 46 - 1863=6, 1.8/1873=6...(17) HG3 ARG 23 + HA LEU 64 OK 31 100 - 31 - 2630/3.0=5, 2623/3.0=5...(9) HG2 ARG 82 - HA LEU 64 OK 20 96 - 20 - 2630/3.0=3, 2623/3.0=3...(9) HG LEU 62 - HA LEU 64 OK 18 68 - 27 - 268/3.6=3, 2.1/2618=3...(12) HB3 LEU 86 - HA LEU 64 OK 17 76 - 22 - 4.6/6135=3, 3.1/2617=3...(11) HB3 ARG 54 - HA LEU 64 OK 11 99 - 11 - 731/3.0=2, 4.1/4694=1...(5) Peak 2617 from cnoeabs.peaks (0.84, 4.26, 57.87 ppm; 3.96 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.9=100 QD1 LEU 43 + HA LEU 64 OK 68 92 - 74 - 2.1/2618=12, 5357=11...(26) QD2 LEU 29 + HA LEU 64 OK 45 100 - 45 - 2631/3.0=6, 2624/3.0=6...(16) QD2 LEU 86 - HA LEU 64 OK 27 96 - 28 - 2631/3.0=3, 2624/3.0=3...(9) QG2 ILE 89 - HA LEU 64 OK 19 100 - 18 - 2631/3.0=2, 2624/3.0=2...(6) Peak 2618 from cnoeabs.peaks (0.95, 4.26, 57.87 ppm; 3.18 A): 5 out of 5 assignments used, quality = 0.94: * QD1 LEU 64 + HA LEU 64 OK 78 100 - 78 - 3.9=55, 2647/3.0=10...(18) QD2 LEU 43 + HA LEU 64 OK 51 97 - 52 - 2632/3.0=6, 2.1/2617=6...(21) QG2 VAL 41 + HA LEU 64 OK 24 83 - 29 - 2.1/6071=5, 4337=4...(10) QD2 LEU 62 + HA LEU 64 OK 16 71 - 22 - 733/3.0=2, 270/3.6=2...(9) QG2 ILE 40 + HA LEU 64 OK 15 71 - 21 - 270/3.6=3, 4.4/4332=2...(9) Peak 2619 from cnoeabs.peaks (7.42, 1.97, 41.01 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.95: * H LEU 64 + HB2 LEU 64 OK 92 100 - 92 - 4.0=78, 2626/1.8=23...(11) H LEU 52 + HB2 LEU 64 OK 35 97 - 36 - 2626/1.8=8, 2612/3.0=6...(9) H LYS 39 - HB2 LEU 64 OK 25 65 - 39 - 2626/1.8=6, 2647/3.1=5...(16) Peak 2620 from cnoeabs.peaks (4.26, 1.97, 41.01 ppm; 4.00 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB2 LEU 64 OK 57 97 - 58 - 2627/1.8=7, 2648/3.1=7...(24) HA ARG 17 - HB2 LEU 64 OK 31 87 - 35 - 3.0/3915=5, 2627/1.8=4...(14) HA ALA 20 - HB2 LEU 64 OK 23 100 - 23 - 3.6/3915=5, 2627/1.8=3...(8) HA ASP 38 - HB2 LEU 64 OK 21 85 - 24 - 3.6/2619=5, 3802/4.0=3...(11) HA LYS 75 - HB2 LEU 64 OK 17 90 - 19 - 4.7/6044=2, 3.6/5016=2...(6) HA THR 15 - HB2 LEU 64 OK 17 93 - 18 - 2627/1.8=2, 3.0/5906=2...(7) HA SER 60 - HB2 LEU 64 OK 15 87 - 18 - 728/4.0=3, 3.6/4656=3...(6) HA GLU 19 - HB2 LEU 64 lone 9 100 - 9 - 2648/3.1=2, 2627/1.8=1 HA LYS 83 - HB2 LEU 64 poor 9 89 - 10 - 2627/1.8=1, 2648/3.1=1 HA ALA 12 - HB2 LEU 64 lone 8 100 - 7 - 2627/1.8=1 HA ALA 77 - HB2 LEU 64 lone 4 65 - 5 - HA THR 88 - HB2 LEU 64 lone 3 83 - 3 - Peak 2621 from cnoeabs.peaks (1.97, 1.97, 41.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 2622 from cnoeabs.peaks (1.70, 1.97, 41.01 ppm; 3.18 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 HB2 LEU 43 - HB2 LEU 64 OK 38 65 - 58 - 3.1/2625=5, 3.1/2624=5...(37) HB2 LEU 29 - HB2 LEU 64 OK 35 85 - 41 - 1487/1.8=5, 3.1/2624=4...(17) HG LEU 29 - HB2 LEU 64 OK 30 76 - 39 - 2.1/2624=5, 1499/1.8=4...(19) HG3 ARG 66 - HB2 LEU 64 OK 26 100 - 26 - 2650/3.1=2, 2615/3.0=2...(10) HG2 ARG 23 - HB2 LEU 64 OK 23 65 - 35 - 1.8/2623=5, 1289/3.0=3...(16) HB2 ARG 82 - HB2 LEU 64 OK 21 100 - 21 - 5480/3.0=3, 2.9/2623=2...(7) HG2 ARG 70 - HB2 LEU 64 OK 20 97 - 21 - 2866=3, 2615/3.0=2...(8) HB3 LYS 13 - HB2 LEU 64 lone 7 90 - 8 - HB3 LYS 83 - HB2 LEU 64 lone 4 83 - 5 - HB3 LYS 85 - HB2 LEU 64 lone 2 71 - 3 - HB2 ARG 84 - HB2 LEU 64 lone 2 60 - 3 - Peak 2623 from cnoeabs.peaks (1.54, 1.97, 41.01 ppm; 3.70 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 HG2 LYS 39 + HB2 LEU 64 OK 53 99 - 54 - 2630/1.8=7, 2616/3.0=6...(19) HG3 ARG 23 + HB2 LEU 64 OK 48 100 - 48 - 2630/1.8=6, 2651/3.1=6...(17) HG2 ARG 82 - HB2 LEU 64 OK 26 96 - 27 - 2630/1.8=4, 2635=3...(11) HG LEU 62 - HB2 LEU 64 OK 23 68 - 33 - 2.1/2625=3, 2630/1.8=3...(12) HB3 LEU 86 - HB2 LEU 64 OK 20 76 - 26 - 3.1/2624=3, 2630/1.8=3...(10) HB3 ARG 54 - HB2 LEU 64 OK 12 99 - 12 - 2630/1.8=1, 2616/3.0=1...(5) Peak 2624 from cnoeabs.peaks (0.84, 1.97, 41.01 ppm; 3.70 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 LEU 43 + HB2 LEU 64 OK 70 92 - 77 - 2631/1.8=9, 2.1/2625=9...(38) QD2 LEU 29 + HB2 LEU 64 OK 51 100 - 51 - 2631/1.8=7, 2652/3.1=5...(21) QD2 LEU 86 - HB2 LEU 64 OK 26 96 - 27 - 2631/1.8=4, 2617/3.0=3...(8) QG2 ILE 89 - HB2 LEU 64 OK 19 100 - 19 - 2631/1.8=3, 2617/3.0=2...(6) Peak 2625 from cnoeabs.peaks (0.95, 1.97, 41.01 ppm; 4.08 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD2 LEU 43 + HB2 LEU 64 OK 81 97 - 84 - 2632/1.8=12, 2646/3.1=11...(37) QG2 VAL 41 - HB2 LEU 64 OK 33 83 - 40 - ~6071=6, 4337/3.0=5...(14) QD2 LEU 62 - HB2 LEU 64 OK 29 71 - 40 - 2632/1.8=4, 733/4.0=3...(16) QG2 ILE 40 - HB2 LEU 64 OK 23 71 - 33 - 270/4.4=4, 2632/1.8=3...(13) Peak 2626 from cnoeabs.peaks (7.42, 1.70, 41.01 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 64 + HB3 LEU 64 OK 92 100 - 92 - 4.0=76, 2619/1.8=22...(13) H LEU 52 + HB3 LEU 64 OK 33 97 - 33 - 2619/1.8=8, 2612/3.0=6...(6) H LYS 39 - HB3 LEU 64 OK 24 65 - 37 - 2619/1.8=6, 3.0/2627=5...(14) Peak 2627 from cnoeabs.peaks (4.26, 1.70, 41.01 ppm; 3.77 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB3 LEU 64 OK 50 97 - 52 - 2648/3.1=6, 2620/1.8=6...(22) HA ARG 17 - HB3 LEU 64 OK 28 87 - 32 - 3.0/3916=4, 2620/1.8=3...(14) HA ALA 20 - HB3 LEU 64 OK 20 100 - 20 - 3.6/3916=5, 2620/1.8=2...(8) HA ASP 38 - HB3 LEU 64 OK 18 85 - 22 - 3.6/2626=4, 2648/3.1=2...(9) HA THR 15 - HB3 LEU 64 OK 14 93 - 15 - 2620/1.8=2, ~5906=2...(6) HA LYS 75 - HB3 LEU 64 OK 13 90 - 15 - 2620/1.8=2, 2648/3.1=2 HA SER 60 - HB3 LEU 64 OK 10 87 - 12 - 728/4.0=2, 2620/1.8=2...(4) HA GLU 19 - HB3 LEU 64 lone 9 100 - 9 - 2648/3.1=1, 2620/1.8=1 HA LYS 83 - HB3 LEU 64 lone 9 89 - 10 - 2.9/360=1, 2620/1.8=1 HA ALA 12 - HB3 LEU 64 lone 7 100 - 7 - HA ALA 77 - HB3 LEU 64 lone 3 65 - 5 - HA THR 88 - HB3 LEU 64 lone 3 83 - 3 - Peak 2628 from cnoeabs.peaks (1.97, 1.70, 41.01 ppm; 3.10 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 HG LEU 43 + HB3 LEU 64 OK 53 89 - 60 - 2.1/2632=7, 2.1/2631=6...(32) QE MET 31 - HB3 LEU 64 OK 35 87 - 41 - 5082/4.0=7, 5074/3.1=6...(15) HG LEU 57 - HB3 LEU 64 OK 25 89 - 28 - 2.1/5026=5, ~5025=5...(14) HB2 ARG 70 - HB3 LEU 64 OK 22 89 - 25 - 3.0/2844=2, 2614/3.0=2...(8) HB3 ARG 70 - HB3 LEU 64 OK 22 89 - 25 - 3.0/2844=2, 2614/3.0=2...(8) HG3 PRO 14 - HB3 LEU 64 OK 16 95 - 17 - 2642/3.1=1, 5023/3.1=1...(4) HG2 PRO 14 - HB3 LEU 64 OK 16 95 - 17 - 2642/3.1=1, 5023/3.1=1...(4) HB2 GLN 79 - HB3 LEU 64 lone 5 100 - 5 - HB3 GLN 79 - HB3 LEU 64 lone 3 76 - 4 - Peak 2629 from cnoeabs.peaks (1.70, 1.70, 41.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 Peak 2630 from cnoeabs.peaks (1.54, 1.70, 41.01 ppm; 3.67 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HG2 LYS 39 + HB3 LEU 64 OK 51 99 - 51 - 2623/1.8=7, 2616/3.0=5...(18) HG3 ARG 23 + HB3 LEU 64 OK 46 100 - 47 - 2623/1.8=6, 2651/3.1=6...(16) HG2 ARG 82 - HB3 LEU 64 OK 26 96 - 27 - 2623/1.8=3, 2616/3.0=2...(12) HG LEU 62 - HB3 LEU 64 OK 20 68 - 30 - 2.1/2632=3, 2623/1.8=3...(12) HB3 LEU 86 - HB3 LEU 64 OK 19 76 - 24 - 3.1/2631=3, 2623/1.8=3...(9) HB3 ARG 54 - HB3 LEU 64 OK 10 99 - 10 - 2623/1.8=2, 2616/3.0=1...(4) Peak 2631 from cnoeabs.peaks (0.84, 1.70, 41.01 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD1 LEU 43 + HB3 LEU 64 OK 71 92 - 77 - 2.1/2632=10, 2624/1.8=10...(38) QD2 LEU 29 + HB3 LEU 64 OK 52 100 - 52 - 2624/1.8=7, 2.1/1499=5...(20) QD2 LEU 86 - HB3 LEU 64 OK 28 96 - 29 - 2624/1.8=4, 2617/3.0=3...(10) QG2 ILE 89 - HB3 LEU 64 OK 20 100 - 20 - 2624/1.8=3, 2617/3.0=2...(8) Peak 2632 from cnoeabs.peaks (0.95, 1.70, 41.01 ppm; 3.85 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD2 LEU 43 + HB3 LEU 64 OK 78 97 - 80 - 2625/1.8=10, 2646/3.1=10...(37) QG2 VAL 41 - HB3 LEU 64 OK 30 83 - 36 - ~6071=5, 4337/3.0=5...(14) QD2 LEU 62 - HB3 LEU 64 OK 24 71 - 34 - 2625/1.8=4, 2618/3.0=3...(13) QG2 ILE 40 - HB3 LEU 64 OK 21 71 - 29 - 270/4.4=3, 2625/1.8=3...(12) Peak 2633 from cnoeabs.peaks (7.42, 1.54, 27.08 ppm; 4.60 A): 2 out of 12 assignments used, quality = 0.99: * H LEU 64 + HG LEU 64 OK 97 100 - 97 - 4.8=86, 2626/3.0=25...(10) H LEU 52 + HG LEU 64 OK 46 97 - 48 - 2647/2.1=10, 2640/2.1=10...(10) H LYS 39 - HG LEU 64 OK 37 65 - 57 - 2647/2.1=8, 3.0/1836=8...(16) H LEU 64 - HG3 ARG 23 OK 32 88 - 37 - 731=6, 4.4/2651=6...(9) H LEU 52 - HG LEU 62 OK 29 61 - 47 - ~5957=15, 197/2.1=8...(8) H LEU 64 - HG LEU 62 OK 28 66 - 42 - 5776/5.0=13, 733/2.1=6...(11) H LEU 64 - HG2 ARG 82 OK 24 95 - 25 - 731=4, 3.0/2616=3...(9) H LYS 39 - HG3 ARG 23 poor 9 51 - 18 - 3.0/1836=3, 595=2...(7) H LYS 39 - HG LEU 62 poor 6 36 - 18 - 5605/4.3=3, 595=2...(7) H LEU 52 - HG3 ARG 23 lone 6 83 - 7 - H LEU 52 - HG2 ARG 82 lone 5 90 - 5 - H LYS 39 - HG2 ARG 82 lone 4 58 - 7 - Peak 2634 from cnoeabs.peaks (4.26, 1.54, 27.08 ppm; 4.25 A): 2 out of 52 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 - 100 - 4.3=99, 2618/2.1=20...(14) HA LYS 39 + HG LEU 64 OK 61 97 - 63 - 1836=10, 2648/2.1=9...(21) HA LEU 64 - HG3 ARG 23 OK 35 88 - 40 - 2616=7, 3.9/2651=6...(10) HA ARG 17 - HG LEU 64 OK 29 87 - 33 - 2648/2.1=4, ~3919=4...(14) HA LEU 64 - HG2 ARG 82 OK 26 95 - 27 - 2616=4, 3.0/2630=3...(10) HA LEU 64 - HG LEU 62 OK 23 66 - 35 - 3.6/268=4, 2616=4...(12) HA ASP 38 - HG LEU 64 OK 22 85 - 26 - 3.6/595=6, 2648/2.1=4...(9) HA LYS 39 - HG3 ARG 23 OK 21 83 - 25 - 1836=4, 1834/3.0=2...(6) HA ALA 20 - HG LEU 64 OK 19 100 - 19 - ~6134=3, 3.6/3917=3...(7) HA THR 15 - HG LEU 64 OK 16 93 - 17 - ~5013=2, ~5015=2...(7) HA LYS 75 - HG LEU 64 OK 16 90 - 17 - 2648/2.1=2, 5027/2.1=2...(5) HA LYS 83 - HG2 ARG 82 OK 15 80 - 19 - ~361=5, ~833=4, ~832=4...(5) HA ARG 17 - HG3 ARG 23 OK 11 71 - 16 - 1152/2.9=1, 1153/2.9=1...(4) HA LYS 39 - HG LEU 62 OK 11 61 - 18 - 1836=2, 3.0/595=2...(6) HA GLU 19 - HG LEU 64 lone 10 100 - 10 - 2648/2.1=2, 5027/2.1=1...(4) HA LYS 83 - HG LEU 64 poor 9 89 - 10 - 2648/2.1=1, 5027/2.1=1...(4) HA LYS 39 - HG2 ARG 82 lone 9 90 - 10 - 1836=1 HA SER 60 - HG LEU 64 poor 9 87 - 11 - 728/4.8=2, 2620/3.0=2...(6) HA ALA 12 - HG LEU 64 lone 8 100 - 8 - ~5162=1, 2648/2.1=1 HA LYS 75 - HG3 ARG 23 poor 8 74 - 11 - 3068/3.0=1, 3068/3.0=1 HA ASP 38 - HG LEU 62 poor 5 49 - 11 - ~5598=2, 5775/5.0=2...(4) HA ARG 17 - HG LEU 62 lone 5 51 - 9 - 1149/3.0=2, 5775/5.0=1, ~486=1 HA ARG 17 - HG2 ARG 82 lone 4 78 - 5 - HA ALA 77 - HG LEU 64 lone 4 65 - 6 - ~5013=1, ~5015=1 HA LYS 75 - HG2 ARG 82 lone 4 82 - 4 - 831/5.0=1 HA THR 15 - HG2 ARG 82 lone 4 85 - 4 - HA SER 60 - HG LEU 62 lone 4 51 - 7 - 5775/5.0=4, 4647/258=1 HA ALA 20 - HG LEU 62 lone 3 66 - 5 - 5494/4.3=2 HA ASP 38 - HG3 ARG 23 lone 3 69 - 4 - 3.6/595=2 HA THR 15 - HG3 ARG 23 lone 3 77 - 4 - 3713/4.9=1 HA GLU 19 - HG3 ARG 23 lone 3 87 - 3 - HA THR 88 - HG LEU 64 lone 3 83 - 3 - HA GLU 19 - HG2 ARG 82 lone 3 95 - 3 - 831/5.0=1 HA LYS 75 - HG LEU 62 lone 3 54 - 5 - HA THR 88 - HG3 ARG 23 lone 3 67 - 4 - HA LYS 83 - HG3 ARG 23 lone 2 73 - 3 - HA ALA 20 - HG3 ARG 23 lone 2 88 - 3 - HA ALA 20 - HG2 ARG 82 lone 2 95 - 2 - HA SER 60 - HG3 ARG 23 lone 2 71 - 3 - HA ASP 38 - HG2 ARG 82 lone 2 77 - 2 - HA LYS 83 - HG LEU 62 lone 2 52 - 3 - HA ALA 12 - HG2 ARG 82 lone 1 95 - 1 - HA GLU 19 - HG LEU 62 lone 1 65 - 2 - HA THR 15 - HG LEU 62 lone 1 56 - 2 - HA ALA 12 - HG3 ARG 23 lone 1 88 - 1 - HA ALA 12 - HG LEU 62 lone 1 65 - 2 - HA SER 60 - HG2 ARG 82 lone 1 78 - 1 - HA THR 88 - HG LEU 62 lone 1 47 - 2 - HA THR 88 - HG2 ARG 82 lone 1 74 - 1 - HA ALA 77 - HG LEU 62 lone 1 36 - 3 - HA ALA 77 - HG2 ARG 82 lone 1 58 - 1 - HA ALA 77 - HG3 ARG 23 lone 1 51 - 1 - Peak 2635 from cnoeabs.peaks (1.97, 1.54, 27.08 ppm; 3.71 A): 3 out of 40 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 HG LEU 43 + HG LEU 64 OK 63 89 - 71 - 5023/2.1=7, 2642/2.1=7...(31) QE MET 31 + HG LEU 64 OK 46 87 - 53 - 5074/2.1=11, 5073/2.1=10...(12) HB2 LEU 64 - HG3 ARG 23 OK 44 88 - 51 - 2623=8, 1.8/2630=6...(17) HG LEU 57 - HG LEU 64 OK 31 89 - 36 - ~5025=6, ~5026=5...(16) HB2 LEU 64 - HG2 ARG 82 OK 27 95 - 29 - 2623=5, 1.8/2630=4...(11) HB3 ARG 70 - HG LEU 64 OK 24 89 - 27 - 5023/2.1=3, 2628/3.0=2...(10) HB2 ARG 70 - HG LEU 64 OK 24 89 - 27 - 5023/2.1=3, 2628/3.0=2...(10) HB2 LEU 64 - HG LEU 62 OK 23 66 - 35 - 2623=4, 2625/2.1=3...(12) HG2 PRO 14 - HG LEU 64 OK 20 95 - 21 - 2642/2.1=2, 5023/2.1=2...(8) HG3 PRO 14 - HG LEU 64 OK 20 95 - 21 - 2642/2.1=2, 5023/2.1=2...(8) HG LEU 57 - HG LEU 62 OK 20 52 - 38 - ~4599=5, 2.1/5325=4...(16) HG LEU 43 - HG LEU 62 OK 18 52 - 34 - 2029/2.1=2, ~2576=2...(18) HB2 GLN 79 - HG LEU 64 lone 6 100 - 6 - HG3 PRO 14 - HG LEU 62 lone 5 57 - 9 - ~5957=3, ~5960=1 HG2 PRO 14 - HG LEU 62 lone 5 57 - 9 - ~5957=3, ~5960=1 HB2 GLN 79 - HG2 ARG 82 lone 5 94 - 5 - 3197/3.8=1 HB2 ARG 70 - HG LEU 62 lone 4 52 - 9 - HB3 ARG 70 - HG LEU 62 lone 4 52 - 9 - HB3 GLN 79 - HG LEU 64 lone 4 76 - 5 - QE MET 31 - HG LEU 62 lone 4 51 - 7 - 5774/5.0=2, 5073/2.1=1 HB3 GLN 79 - HG2 ARG 82 lone 3 68 - 5 - QE MET 31 - HG3 ARG 23 lone 3 71 - 4 - HG LEU 43 - HG3 ARG 23 lone 3 73 - 4 - HG LEU 57 - HG3 ARG 23 lone 3 73 - 4 - QE MET 31 - HG2 ARG 82 lone 2 78 - 3 - HG LEU 43 - HG2 ARG 82 lone 2 80 - 3 - HG LEU 57 - HG2 ARG 82 lone 2 80 - 3 - HB3 ARG 70 - HG2 ARG 82 lone 2 80 - 2 - HB2 ARG 70 - HG2 ARG 82 lone 2 80 - 2 - HG2 PRO 14 - HG2 ARG 82 lone 2 87 - 2 - HG3 PRO 14 - HG2 ARG 82 lone 2 87 - 2 - HG3 PRO 14 - HG3 ARG 23 lone 2 79 - 2 - HG2 PRO 14 - HG3 ARG 23 lone 2 79 - 2 - HB3 ARG 70 - HG3 ARG 23 lone 2 73 - 2 - HB2 ARG 70 - HG3 ARG 23 lone 2 73 - 2 - HB2 GLN 79 - HG3 ARG 23 lone 1 87 - 1 - HB2 GLN 79 - HG LEU 62 lone 1 64 - 2 - HB3 GLN 79 - HG3 ARG 23 lone 1 60 - 1 - HB3 GLN 79 - HG LEU 62 lone 0 43 - 1 - Peak 2636 from cnoeabs.peaks (1.70, 1.54, 27.08 ppm; 2.54 A): 3 out of 48 assignments used, quality = 0.95: HB2 ARG 82 + HG2 ARG 82 OK 70 95 - 74 - 2.9=66, 1.8/5479=9...(7) * HB3 LEU 64 + HG LEU 64 OK 69 100 - 69 - 3.0=62, 3.0/2616=5...(6) HG2 ARG 23 + HG3 ARG 23 OK 51 51 - 100 - 1.8=100 HB2 LEU 43 - HG LEU 64 OK 22 65 - 33 - 3.1/2639=2, 2650/2.1=2...(20) HB3 LEU 64 - HG3 ARG 23 OK 20 88 - 23 - 2630=3, 3.1/2651=3...(7) HB2 LEU 29 - HG LEU 64 OK 19 85 - 23 - 1489/2.1=3, 2650/2.1=2...(7) HG2 ARG 23 - HG LEU 64 OK 17 65 - 26 - 1289=5, ~2651=2, ~2644=2...(12) HG LEU 29 - HG LEU 64 OK 17 76 - 22 - 1503/2.1=2, 1499/3.0=2...(10) HG3 ARG 66 - HG LEU 64 OK 15 100 - 15 - 2650/2.1=2, 2643/2.1=2...(4) HB2 ARG 82 - HG LEU 64 OK 15 100 - 14 - 5480=4, 1.8/5479=2...(5) HB2 LEU 29 - HG LEU 62 OK 14 49 - 29 - 1488/2.1=3, 1486/3.0=2...(8) HB3 LEU 64 - HG2 ARG 82 OK 12 95 - 12 - 2630=2, 1.8/2623=1...(6) HG LEU 29 - HG LEU 62 OK 11 43 - 27 - 6115/2.1=3, 1500/3.0=2...(9) HG2 ARG 70 - HG LEU 64 lone 9 97 - 9 - 2650/2.1=1, 2622/3.0=1 HB3 LEU 64 - HG LEU 62 poor 9 66 - 14 - 2632/2.1=1, 1.8/2623=1...(4) HB2 ARG 82 - HG3 ARG 23 lone 9 87 - 10 - 5480=3 HG3 ARG 66 - HG3 ARG 23 lone 5 88 - 5 - HB2 LEU 29 - HG2 ARG 82 lone 4 77 - 5 - HG2 ARG 23 - HG2 ARG 82 lone 4 58 - 7 - 1289=1 HB2 LEU 43 - HG LEU 62 poor 4 36 - 11 - ~2022=1, 2015/2.1=1 HB3 LYS 83 - HG2 ARG 82 lone 4 74 - 5 - 833/5.0=2 HB3 LYS 13 - HG LEU 64 lone 4 90 - 4 - HG LEU 29 - HG2 ARG 82 lone 3 68 - 4 - HB3 LYS 83 - HG LEU 64 lone 2 83 - 3 - HG2 ARG 70 - HG LEU 62 lone 2 60 - 4 - HB2 LEU 29 - HG3 ARG 23 lone 2 69 - 3 - HG3 ARG 66 - HG LEU 62 lone 2 65 - 2 - HB3 LYS 85 - HG2 ARG 82 lone 1 63 - 2 - 3297/5.0=1 HG LEU 29 - HG3 ARG 23 lone 1 60 - 2 - HB2 ARG 84 - HG2 ARG 82 lone 1 53 - 3 - HB3 LYS 13 - HG2 ARG 82 lone 1 82 - 2 - HG3 ARG 66 - HG2 ARG 82 lone 1 95 - 1 - HB3 LYS 85 - HG LEU 64 lone 1 71 - 2 - HG2 ARG 70 - HG2 ARG 82 lone 1 89 - 1 - HB3 LYS 13 - HG3 ARG 23 lone 1 74 - 1 - HB2 ARG 84 - HG LEU 64 lone 1 60 - 1 - HG2 ARG 70 - HG3 ARG 23 lone 1 81 - 1 - HB2 ARG 84 - HG LEU 62 lone 1 32 - 2 - HB2 ARG 82 - HG LEU 62 lone 1 65 - 1 - HB3 LYS 13 - HG LEU 62 lone 1 54 - 1 - HG2 ARG 23 - HG LEU 62 lone 1 36 - 2 - HB2 LEU 43 - HG3 ARG 23 lone 1 51 - 1 - HB3 LYS 85 - HG LEU 62 lone 1 39 - 2 - HB2 LEU 43 - HG2 ARG 82 lone 1 58 - 1 - HB2 ARG 84 - HG3 ARG 23 lone 1 47 - 1 - HB3 LYS 83 - HG3 ARG 23 lone 0 67 - 1 - HB3 LYS 85 - HG3 ARG 23 lone 0 56 - 1 - HB3 LYS 83 - HG LEU 62 lone 0 47 - 1 - Peak 2637 from cnoeabs.peaks (1.54, 1.54, 27.08 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 HG2 ARG 82 + HG2 ARG 82 OK 88 88 - 100 HG3 ARG 23 + HG3 ARG 23 OK 88 88 - 100 HG LEU 62 - HG LEU 62 OK 37 37 - 100 Peak 2638 from cnoeabs.peaks (0.84, 1.54, 27.08 ppm; 3.97 A): 4 out of 20 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 43 + HG LEU 64 OK 69 92 - 76 - 2652/2.1=11, 2624/3.0=8...(32) QD2 LEU 64 + HG3 ARG 23 OK 52 88 - 60 - 2644=9, 2.1/2651=8...(26) QD2 LEU 29 + HG LEU 64 OK 52 100 - 52 - 2652/2.1=7, 2631/3.0=6...(24) QD2 LEU 29 - HG LEU 62 OK 37 66 - 57 - ~2598=6, ~6115=5...(28) QD2 LEU 86 - HG LEU 64 OK 28 96 - 29 - 2631/3.0=3, 2652/2.1=3...(10) QD2 LEU 64 - HG2 ARG 82 OK 28 95 - 30 - 2644=4, 2.1/2651=3...(11) QD2 LEU 86 - HG LEU 62 OK 24 59 - 41 - ~2598=4, ~2577=3...(21) QD2 LEU 64 - HG LEU 62 OK 21 66 - 32 - 2644=3, 2646/2.1=3...(13) QG2 ILE 89 - HG LEU 64 OK 21 100 - 20 - 2652/2.1=2, 2631/3.0=2...(10) QD1 LEU 43 - HG LEU 62 OK 20 55 - 37 - 5214/3.0=4, 2036/2.1=4...(18) QD2 LEU 29 - HG2 ARG 82 lone 9 95 - 9 - QD2 LEU 29 - HG3 ARG 23 lone 7 88 - 8 - QG2 ILE 89 - HG3 ARG 23 lone 5 87 - 6 - QD2 LEU 86 - HG3 ARG 23 lone 4 80 - 5 - QD1 LEU 43 - HG3 ARG 23 lone 4 76 - 6 - QG2 ILE 89 - HG2 ARG 82 lone 4 95 - 4 - QD1 LEU 43 - HG2 ARG 82 lone 3 84 - 4 - QG2 ILE 89 - HG LEU 62 lone 3 65 - 4 - QD2 LEU 86 - HG2 ARG 82 lone 3 88 - 3 - Peak 2639 from cnoeabs.peaks (0.95, 1.54, 27.08 ppm; 3.26 A): 2 out of 20 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD2 LEU 43 + HG LEU 64 OK 59 97 - 61 - 2646/2.1=10, 2632/3.0=6...(30) QD1 LEU 64 - HG3 ARG 23 OK 43 88 - 49 - 2651=9, 2.1/2644=5...(17) QD2 LEU 62 - HG LEU 62 OK 39 39 - 100 - 2.1=100 QD1 LEU 64 - HG2 ARG 82 OK 20 95 - 21 - 2651=4, 2.1/2644=2...(8) QG2 VAL 41 - HG LEU 64 OK 20 83 - 24 - 2.1/5242=5, 2646/2.1=3...(10) QD2 LEU 62 - HG LEU 64 OK 16 71 - 22 - 2646/2.1=3, 2625/3.0=2...(8) QG2 ILE 40 - HG LEU 64 OK 15 71 - 22 - 2646/2.1=2, 2632/3.0=2...(7) QD2 LEU 43 - HG LEU 62 OK 15 61 - 25 - 2039/3.0=2, 5213/3.0=2...(12) QD1 LEU 64 - HG LEU 62 OK 15 66 - 23 - 2651=3, 2.1/2644=2...(8) QG2 ILE 40 - HG LEU 62 poor 6 39 - 16 - 4310/4.3=2, 2576/3.0=1, ~1932=1 QG2 VAL 41 - HG LEU 62 lone 4 47 - 8 - 2.1/5242=1 QD2 LEU 43 - HG3 ARG 23 lone 3 83 - 4 - QD2 LEU 62 - HG3 ARG 23 lone 2 56 - 4 - QD2 LEU 43 - HG2 ARG 82 lone 2 90 - 2 - QG2 VAL 41 - HG3 ARG 23 lone 2 67 - 3 - QG2 VAL 41 - HG2 ARG 82 lone 2 74 - 2 - QG2 ILE 40 - HG3 ARG 23 lone 1 56 - 3 - QD2 LEU 62 - HG2 ARG 82 lone 1 63 - 2 - QG2 ILE 40 - HG2 ARG 82 lone 1 63 - 2 - Peak 2640 from cnoeabs.peaks (7.42, 0.84, 25.67 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 4.4=100 H LEU 52 + QD2 LEU 64 OK 55 97 - 57 - 2647/2.1=11, 2619/3.1=9...(14) H LYS 39 - QD2 LEU 64 OK 42 65 - 64 - 2647/2.1=9, 4.9/5206=7...(20) Peak 2642 from cnoeabs.peaks (1.97, 0.84, 25.67 ppm; 3.35 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 43 + QD2 LEU 64 OK 58 89 - 66 - 2.1/2646=10, 5023/2.1=6...(31) QE MET 31 + QD2 LEU 64 OK 50 87 - 57 - 5074=14, 3.3/5021=10...(14) HG LEU 57 - QD2 LEU 64 OK 27 89 - 30 - ~5025=4, ~5026=4...(16) HB2 ARG 70 - QD2 LEU 64 OK 20 89 - 22 - 5023/2.1=2, 2628/3.1=2...(9) HB3 ARG 70 - QD2 LEU 64 OK 20 89 - 22 - 5023/2.1=2, 2628/3.1=2...(9) HG3 PRO 14 - QD2 LEU 64 OK 17 95 - 18 - 5023/2.1=2, 2628/3.1=1...(5) HG2 PRO 14 - QD2 LEU 64 OK 17 95 - 18 - 5023/2.1=2, 2628/3.1=1...(5) HB2 GLN 79 - QD2 LEU 64 lone 6 100 - 6 - HB3 GLN 79 - QD2 LEU 64 lone 4 76 - 5 - Peak 2643 from cnoeabs.peaks (1.70, 0.84, 25.67 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 HB2 LEU 29 + QD2 LEU 64 OK 45 85 - 53 - 1489=7, 3.0/1503=5...(23) HB2 LEU 43 - QD2 LEU 64 OK 45 65 - 68 - 3.1/2646=9, 1.8/5029=8...(36) HG LEU 29 - QD2 LEU 64 OK 38 76 - 50 - 1503=6, 3.0/1489=5...(23) HG3 ARG 66 - QD2 LEU 64 OK 36 100 - 37 - 2.8/6103=5, 2650/2.1=4...(12) HG2 ARG 23 - QD2 LEU 64 OK 31 65 - 47 - 1.8/2644=7, 1289/2.1=5...(19) HB2 ARG 82 - QD2 LEU 64 OK 26 100 - 26 - 5480/2.1=5, 2650/2.1=3...(10) HG2 ARG 70 - QD2 LEU 64 OK 22 97 - 22 - 2650/2.1=2, 2622/3.1=2...(9) HB3 LYS 13 - QD2 LEU 64 OK 11 90 - 13 - 3.0/5029=1 HB3 LYS 83 - QD2 LEU 64 lone 6 83 - 7 - 4.3/5015=1 HB3 LYS 85 - QD2 LEU 64 lone 4 71 - 5 - HB2 ARG 84 - QD2 LEU 64 lone 4 60 - 6 - 4.0/5015=1 Peak 2644 from cnoeabs.peaks (1.54, 0.84, 25.67 ppm; 3.65 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 HG2 LYS 39 + QD2 LEU 64 OK 52 99 - 53 - 1.8/5206=7, 2651/2.1=7...(20) HG3 ARG 23 + QD2 LEU 64 OK 51 100 - 52 - 2651/2.1=7, 1.8/5161=5...(22) HG2 ARG 82 - QD2 LEU 64 OK 24 96 - 24 - 2651/2.1=3, 2630/3.1=3...(10) HB3 LEU 86 - QD2 LEU 64 OK 20 76 - 27 - 2651/2.1=2, 1.8/3526=2...(12) HG LEU 62 - QD2 LEU 64 OK 19 68 - 28 - 2.1/2646=3, 2651/2.1=3...(12) HB3 ARG 54 - QD2 LEU 64 OK 11 99 - 11 - 2651/2.1=1, 2623/3.1=1...(5) Peak 2645 from cnoeabs.peaks (0.84, 0.84, 25.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 Peak 2646 from cnoeabs.peaks (0.95, 0.84, 25.67 ppm; 2.85 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 QD2 LEU 43 + QD2 LEU 64 OK 52 97 - 54 - 2042=8, 2632/3.1=5...(24) QG2 VAL 41 - QD2 LEU 64 OK 15 83 - 18 - 2.1/6103=3, ~5242=2...(8) QD2 LEU 62 - QD2 LEU 64 OK 13 71 - 18 - 2625/3.1=1, 2.1/2644=1...(6) QG2 ILE 40 - QD2 LEU 64 OK 12 71 - 17 - 3.2/6103=2, 3.2/5030=2...(6) Peak 2647 from cnoeabs.peaks (7.42, 0.95, 23.35 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 64 + QD1 LEU 64 OK 94 100 - 94 - 4.4=78, 2626/3.1=20...(14) H LEU 52 + QD1 LEU 64 OK 42 97 - 43 - 2640/2.1=8, 2619/3.1=8...(13) H LYS 39 - QD1 LEU 64 OK 34 65 - 52 - 3.0/2648=7, 2640/2.1=6...(17) Peak 2648 from cnoeabs.peaks (4.26, 0.95, 23.35 ppm; 3.04 A): 5 out of 13 assignments used, quality = 0.89: * HA LEU 64 + QD1 LEU 64 OK 73 100 - 73 - 3.9=48, 3.0/2647=9...(18) HA LYS 39 + QD1 LEU 64 OK 37 97 - 38 - 1836/2.1=4, 3.0/2647=3...(16) HA ARG 17 + QD1 LEU 64 OK 16 87 - 19 - 3.0/3919=3, 2627/3.1=2...(9) HA ASP 38 + QD1 LEU 64 OK 15 85 - 17 - 3.6/2647=3, 3.0/5310=2...(9) HA ALA 20 + QD1 LEU 64 OK 12 100 - 12 - 3.6/3919=3, 3.0/6134=2...(4) HA LYS 75 - QD1 LEU 64 poor 10 90 - 11 - 3.6/5012=1 HA THR 15 - QD1 LEU 64 lone 8 93 - 9 - 3.0/5013=1 HA GLU 19 - QD1 LEU 64 lone 8 100 - 8 - 3.6/6134=2 HA LYS 83 - QD1 LEU 64 lone 5 89 - 6 - HA SER 60 - QD1 LEU 64 lone 5 87 - 6 - 728/4.4=1 HA ALA 12 - QD1 LEU 64 lone 4 100 - 4 - HA ALA 77 - QD1 LEU 64 lone 2 65 - 3 - HA THR 88 - QD1 LEU 64 lone 1 83 - 2 - Peak 2650 from cnoeabs.peaks (1.70, 0.95, 23.35 ppm; 3.32 A): 1 out of 12 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.1=100 HB2 LEU 43 - QD1 LEU 64 OK 40 65 - 61 - 3.1/2652=7, 1.8/2022=6...(33) HB2 LEU 29 - QD1 LEU 64 OK 37 85 - 43 - 1489/2.1=5, 3.1/2652=4...(21) HG3 ARG 66 - QD1 LEU 64 OK 34 100 - 34 - 2.8/6102=5, 2643/2.1=3...(14) HG LEU 29 - QD1 LEU 64 OK 30 76 - 40 - 2.1/2652=6, 1503/2.1=4...(17) HG2 ARG 23 - QD1 LEU 64 OK 28 65 - 44 - 1.8/2651=7, 1289/2.1=5...(15) HB2 ARG 82 - QD1 LEU 64 OK 23 100 - 22 - 5480/2.1=5, 2.9/2651=2...(8) HG2 ARG 70 - QD1 LEU 64 OK 20 97 - 21 - 2.9/5023=2, 2.9/5023=2...(7) HB3 LYS 13 - QD1 LEU 64 lone 7 90 - 8 - HB3 LYS 83 - QD1 LEU 64 lone 5 83 - 6 - HB2 ARG 84 - QD1 LEU 64 lone 3 60 - 4 - HB3 LYS 85 - QD1 LEU 64 lone 2 71 - 3 - Peak 2651 from cnoeabs.peaks (1.54, 0.95, 23.35 ppm; 3.08 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 HG3 ARG 23 - QD1 LEU 64 OK 43 100 - 43 - 2639=5, 2644/2.1=5...(16) HG2 LYS 39 - QD1 LEU 64 OK 39 99 - 40 - 2644/2.1=5, 2630/3.1=3...(14) HG2 ARG 82 - QD1 LEU 64 OK 17 96 - 18 - 2639=2, 2644/2.1=2...(7) HG LEU 62 - QD1 LEU 64 OK 15 68 - 22 - 2639=2, 2644/2.1=2...(8) HB3 LEU 86 - QD1 LEU 64 OK 14 76 - 18 - 4.6/6134=2, 3.1/2652=2...(6) HB3 ARG 54 - QD1 LEU 64 lone 7 99 - 7 - Peak 2652 from cnoeabs.peaks (0.84, 0.95, 23.35 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 43 - QD1 LEU 64 OK 43 92 - 47 - 2036=7, 2.1/5023=4...(24) QD2 LEU 29 - QD1 LEU 64 OK 27 100 - 27 - 2624/3.1=2, 2631/3.1=2...(12) QD2 LEU 86 - QD1 LEU 64 OK 13 96 - 13 - 2631/3.1=1, 2624/3.1=1 QG2 ILE 89 - QD1 LEU 64 lone 10 100 - 9 - Peak 2653 from cnoeabs.peaks (0.95, 0.95, 23.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 2654 from cnoeabs.peaks (8.38, 3.63, 67.03 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 65 + HA VAL 65 OK 100 100 - 100 - 3.0=100 H GLY 21 - HA VAL 65 OK 24 100 - 24 - 2669/3.2=5, 2664/3.2=4...(9) H GLY 18 - HA VAL 65 OK 14 87 - 16 - 2669/3.2=3, 2664/3.2=3...(7) H ARG 17 - HA VAL 65 OK 12 99 - 12 - 271/3.6=3, 2669/3.2=2...(5) H ALA 16 - HA VAL 65 lone 2 60 - 3 - Peak 2655 from cnoeabs.peaks (3.63, 3.63, 67.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 65 + HA VAL 65 OK 100 100 - 100 Peak 2656 from cnoeabs.peaks (2.39, 3.63, 67.03 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 65 + HA VAL 65 OK 100 100 - 100 - 3.0=100 HG3 MET 11 + HA VAL 65 OK 47 100 - 47 - 2666/3.2=8, 2671/3.2=8...(13) HG2 GLU 59 - HA VAL 65 lone 8 97 - 8 - 736/3.0=2, 273/3.6=1...(4) HG2 GLU 50 - HA VAL 65 lone 7 87 - 8 - 736/3.0=2, 273/3.6=1...(4) Peak 2657 from cnoeabs.peaks (1.23, 3.63, 67.03 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + HA VAL 65 OK 99 100 - 99 - 3.2=98, 2664/3.0=14...(11) QG2 VAL 65 + HA VAL 65 OK 82 83 - 99 - 3.2=98, 2669/3.0=13...(9) HG13 ILE 40 + HA VAL 65 OK 62 100 - 62 - 2.1/5033=18, 1.8/4704=7...(23) HG13 ILE 33 - HA VAL 65 OK 36 95 - 38 - ~4727=6, ~5795=5...(13) HG2 ARG 69 - HA VAL 65 OK 34 99 - 34 - 1.8/2817=5, 3.0/2801=4...(13) Peak 2658 from cnoeabs.peaks (1.21, 3.63, 67.03 ppm; 3.06 A): 3 out of 7 assignments used, quality = 0.99: * QG2 VAL 65 + HA VAL 65 OK 93 100 - 93 - 3.2=87, 2669/3.0=15...(9) QG1 VAL 65 + HA VAL 65 OK 77 83 - 93 - 3.2=87, 2664/3.0=11...(10) HG13 ILE 40 + HA VAL 65 OK 48 85 - 57 - 2.1/5033=16, 1.8/4704=7...(21) HG LEU 52 - HA VAL 65 OK 41 89 - 46 - ~4728=9, ~4726=9...(13) HG13 ILE 33 - HA VAL 65 OK 34 99 - 35 - ~4727=5, ~5795=5...(13) HG2 ARG 69 - HA VAL 65 OK 18 63 - 29 - 1.8/2817=4, 3.0/2801=4...(12) QG2 THR 15 - HA VAL 65 lone 2 81 - 2 - Peak 2659 from cnoeabs.peaks (8.38, 2.39, 31.50 ppm; 3.57 A): 2 out of 10 assignments used, quality = 0.95: * H VAL 65 + HB VAL 65 OK 92 100 - 92 - 3.8=79, 2669/2.1=25...(8) H VAL 65 + HG3 MET 11 OK 33 100 - 33 - 736=11, 3.0/2656=7...(7) H GLY 21 - HB VAL 65 OK 24 100 - 24 - 2669/2.1=5, 2664/2.1=5...(8) H GLY 18 - HB VAL 65 OK 16 87 - 19 - 2669/2.1=4, 2664/2.1=3...(8) H ARG 17 - HB VAL 65 lone 10 99 - 10 - 2669/2.1=2, 2664/2.1=2...(4) H GLY 21 - HG3 MET 11 lone 3 100 - 3 - H GLY 18 - HG3 MET 11 lone 2 87 - 3 - H ARG 17 - HG3 MET 11 lone 2 99 - 2 - H ALA 16 - HB VAL 65 lone 2 60 - 3 - H ALA 16 - HG3 MET 11 lone 0 60 - 1 - Peak 2660 from cnoeabs.peaks (3.63, 2.39, 31.50 ppm; 3.95 A): 4 out of 8 assignments used, quality = 1.00: * HA VAL 65 + HB VAL 65 OK 100 100 - 100 - 3.0=100 HA ILE 40 + HB VAL 65 OK 61 100 - 61 - 2665/2.1=11, 2670/2.1=11...(17) HA VAL 65 + HG3 MET 11 OK 52 100 - 52 - 2656=14, 3.2/2666=8...(13) HA ARG 69 + HB VAL 65 OK 46 100 - 47 - 2665/2.1=9, 2670/2.1=8...(14) HD3 PRO 14 - HG3 MET 11 OK 33 93 - 36 - 1088/3.0=4, ~974=4...(19) HD3 PRO 14 - HB VAL 65 OK 23 93 - 25 - 2665/2.1=3, 2670/2.1=3...(13) HA ILE 40 - HG3 MET 11 OK 11 100 - 11 - 4.1/4304=2, 2665/2666=1 HA ARG 69 - HG3 MET 11 lone 6 100 - 6 - Peak 2661 from cnoeabs.peaks (2.39, 2.39, 31.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 65 + HB VAL 65 OK 100 100 - 100 HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 2662 from cnoeabs.peaks (1.23, 2.39, 31.50 ppm; 3.19 A): 3 out of 10 assignments used, quality = 1.00: * QG1 VAL 65 + HB VAL 65 OK 100 100 - 100 - 2.1=100 QG2 VAL 65 + HB VAL 65 OK 83 83 - 100 - 2.1=100 HG13 ILE 40 + HB VAL 65 OK 56 100 - 56 - ~5035=9, ~5033=8...(22) QG1 VAL 65 - HG3 MET 11 OK 43 100 - 43 - 2666=12, 2.1/2671=8...(11) HG13 ILE 33 - HB VAL 65 OK 36 95 - 38 - ~4727=10, ~4725=8...(10) QG2 VAL 65 - HG3 MET 11 OK 33 83 - 40 - 2671=9, 2.1/2666=8...(10) HG2 ARG 69 - HB VAL 65 OK 24 99 - 25 - ~2820=3, 2809/3.0=3...(10) HG13 ILE 40 - HG3 MET 11 lone 7 100 - 7 - 2.1/4304=2 HG2 ARG 69 - HG3 MET 11 lone 3 98 - 3 - HG13 ILE 33 - HG3 MET 11 lone 2 94 - 2 - Peak 2663 from cnoeabs.peaks (1.21, 2.39, 31.50 ppm; 3.07 A): 3 out of 14 assignments used, quality = 1.00: * QG2 VAL 65 + HB VAL 65 OK 100 100 - 100 - 2.1=100 QG1 VAL 65 + HB VAL 65 OK 83 83 - 100 - 2.1=100 HG LEU 52 + HB VAL 65 OK 50 89 - 57 - ~4728=13, ~4726=13...(13) HG13 ILE 40 - HB VAL 65 OK 44 85 - 52 - ~5035=8, ~5033=7...(22) QG2 VAL 65 - HG3 MET 11 OK 39 100 - 39 - 2671=10, 2.1/2666=7...(11) HG13 ILE 33 - HB VAL 65 OK 36 99 - 36 - ~4727=9, ~4725=7...(11) QG1 VAL 65 - HG3 MET 11 OK 31 83 - 38 - 2666=9, 2.1/2671=7...(10) HG2 ARG 69 - HB VAL 65 OK 13 63 - 21 - ~2820=3, ~2817=2...(10) HG13 ILE 40 - HG3 MET 11 lone 5 85 - 6 - 2.1/4304=1 HG LEU 52 - HG3 MET 11 lone 5 88 - 5 - 2.1/5963=2 HG13 ILE 33 - HG3 MET 11 lone 2 99 - 2 - QG2 THR 15 - HB VAL 65 lone 2 81 - 2 - HG2 ARG 69 - HG3 MET 11 lone 1 63 - 2 - QG2 THR 15 - HG3 MET 11 lone 0 80 - 1 - Peak 2664 from cnoeabs.peaks (8.38, 1.23, 22.65 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.93: * H VAL 65 + QG1 VAL 65 OK 93 100 - 93 - 4.0=77, 736/2.1=27...(13) H GLY 21 - QG1 VAL 65 OK 21 100 - 21 - 2659/2.1=4, 2654/3.2=4...(7) H GLY 18 - QG1 VAL 65 OK 14 87 - 16 - 2659/2.1=3, 3.0/4723=3...(7) H ARG 17 - QG1 VAL 65 lone 9 99 - 9 - 271/4.1=2, 2654/3.2=2 H ALA 16 - QG1 VAL 65 lone 2 60 - 3 - Peak 2665 from cnoeabs.peaks (3.63, 1.23, 22.65 ppm; 3.35 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 65 + QG1 VAL 65 OK 100 100 - 100 - 3.2=100 HA ILE 40 + QG1 VAL 65 OK 64 100 - 64 - 4.1/5035=10, 1927=8...(23) HA ARG 69 + QG1 VAL 65 OK 49 100 - 49 - 2788=6, 2.9/762=5...(21) HD3 PRO 14 - QG1 VAL 65 OK 18 93 - 20 - 735/4.0=2, 2660/2.1=2...(7) Peak 2666 from cnoeabs.peaks (2.39, 1.23, 22.65 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 65 + QG1 VAL 65 OK 100 100 - 100 - 2.1=100 HG3 MET 11 - QG1 VAL 65 OK 35 100 - 36 - 2662=5, 2656/3.2=5...(11) HG2 GLU 59 - QG1 VAL 65 lone 5 97 - 5 - HG2 GLU 50 - QG1 VAL 65 lone 5 87 - 6 - Peak 2667 from cnoeabs.peaks (1.23, 1.23, 22.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 65 + QG1 VAL 65 OK 100 100 - 100 Peak 2668 from cnoeabs.peaks (1.21, 1.23, 22.65 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG1 VAL 65 + QG1 VAL 65 OK 83 83 - 100 Reference assignment not found: QG2 VAL 65 - QG1 VAL 65 Peak 2669 from cnoeabs.peaks (8.38, 1.21, 23.08 ppm; 3.30 A): 3 out of 5 assignments used, quality = 0.89: * H VAL 65 + QG2 VAL 65 OK 85 100 - 85 - 4.0=57, 736/2.1=23...(13) H GLY 21 + QG2 VAL 65 OK 18 100 - 18 - 2659/2.1=4, 2654/3.2=3...(7) H GLY 18 + QG2 VAL 65 OK 13 87 - 14 - 2659/2.1=3, 3.0/4722=2...(7) H ARG 17 - QG2 VAL 65 lone 8 99 - 8 - 271/4.1=2, 2654/3.2=2 H ALA 16 - QG2 VAL 65 lone 2 60 - 3 - Peak 2670 from cnoeabs.peaks (3.63, 1.21, 23.08 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 65 + QG2 VAL 65 OK 100 100 - 100 - 3.2=100 HA ILE 40 + QG2 VAL 65 OK 54 100 - 54 - 1927/2.1=6, 3.2/4724=6...(22) HA ARG 69 - QG2 VAL 65 OK 42 100 - 42 - 2788/2.1=5, 2660/2.1=4...(19) HD3 PRO 14 - QG2 VAL 65 OK 15 93 - 16 - 735/4.0=2, 2660/2.1=2...(4) Peak 2671 from cnoeabs.peaks (2.39, 1.21, 23.08 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 65 + QG2 VAL 65 OK 100 100 - 100 - 2.1=100 HG3 MET 11 - QG2 VAL 65 OK 36 100 - 36 - 2656/3.2=6, 3921/4.1=5...(11) HG2 GLU 59 - QG2 VAL 65 lone 6 97 - 6 - 2656/3.2=1 HG2 GLU 50 - QG2 VAL 65 lone 5 87 - 6 - Peak 2672 from cnoeabs.peaks (1.23, 1.21, 23.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 65 + QG2 VAL 65 OK 83 83 - 100 Reference assignment not found: QG1 VAL 65 - QG2 VAL 65 Peak 2673 from cnoeabs.peaks (1.21, 1.21, 23.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 65 + QG2 VAL 65 OK 100 100 - 100 Peak 2674 from cnoeabs.peaks (8.59, 3.98, 60.19 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HA ARG 66 OK 100 100 - 100 - 3.0=100 Peak 2675 from cnoeabs.peaks (3.98, 3.98, 60.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 66 + HA ARG 66 OK 100 100 - 100 Peak 2676 from cnoeabs.peaks (1.88, 3.98, 60.19 ppm; 3.85 A): 1 out of 16 assignments used, quality = 1.00: * HB2 ARG 66 + HA ARG 66 OK 100 100 - 100 - 3.0=100 HB2 ARG 26 - HA ARG 66 OK 40 100 - 40 - 2682/3.0=4, 2708/4.1=3...(15) HB3 ARG 26 - HA ARG 66 OK 40 100 - 40 - 2682/3.0=4, 2708/4.1=3...(15) HB ILE 68 - HA ARG 66 OK 27 81 - 33 - 3.9/5809=4, 4.4/5378=4...(13) HB2 MET 11 - HA ARG 66 OK 25 98 - 26 - ~3921=4, ~273=4...(11) HB3 ARG 71 - HA ARG 66 OK 23 78 - 29 - 4.0/304=3, ~5036=3...(10) HB3 PRO 14 - HA ARG 66 OK 22 97 - 23 - 741/3.0=2, 2.3/2678=2...(12) HB2 ARG 71 - HA ARG 66 OK 22 76 - 29 - 4.0/304=3, ~5036=3...(10) HG12 ILE 40 - HA ARG 66 OK 11 60 - 19 - 5617/6072=3, 1.8/4734=3...(7) HB3 ARG 27 - HA ARG 66 poor 8 78 - 10 - HB2 ARG 27 - HA ARG 66 lone 8 76 - 10 - HB3 ARG 23 - HA ARG 66 lone 6 63 - 9 - HB3 PRO 34 - HA ARG 66 lone 5 100 - 5 - HB2 ARG 23 - HA ARG 66 lone 5 60 - 9 - HB2 LYS 39 - HA ARG 66 lone 5 81 - 6 - 2.9/4733=1 HB2 GLN 91 - HA ARG 66 lone 1 81 - 2 - Peak 2677 from cnoeabs.peaks (1.94, 3.98, 60.19 ppm; 3.85 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 66 + HA ARG 66 OK 100 100 - 100 - 3.0=100 HB2 ARG 70 + HA ARG 66 OK 66 95 - 70 - 2.9/2679=7, 2690/3.0=7...(34) HB3 ARG 70 + HA ARG 66 OK 66 95 - 70 - 2.9/2679=7, 2690/3.0=7...(34) HG13 ILE 68 - HA ARG 66 OK 30 87 - 34 - 4.5/5809=4, 742/3.0=4...(16) HB2 MET 31 - HA ARG 66 OK 26 99 - 26 - 3772/3.6=3, 4.7/3924=3...(15) HB VAL 41 - HA ARG 66 OK 15 96 - 15 - 2.1/4336=2, 279/3.6=2...(5) HB2 GLN 79 - HA ARG 66 OK 12 71 - 17 - 1.8/2678=2, ~5038=2...(6) HG LEU 57 - HA ARG 66 lone 9 95 - 10 - 742/3.0=1 Peak 2678 from cnoeabs.peaks (2.01, 3.98, 60.19 ppm; 3.86 A): 1 out of 14 assignments used, quality = 0.96: * HG2 ARG 66 + HA ARG 66 OK 96 100 - 96 - 4.1=85, 5038/3.0=21...(18) HD3 ARG 69 - HA ARG 66 OK 32 83 - 39 - 3.9/4733=7, 3.0/4733=7...(15) HD2 ARG 69 - HA ARG 66 OK 32 83 - 39 - 3.9/4733=7, 3.0/4733=7...(15) HB3 MET 11 - HA ARG 66 OK 26 100 - 26 - ~3921=4, ~273=4...(11) HB3 GLN 79 - HA ARG 66 OK 17 90 - 19 - 5038/3.0=4, 2699=3...(9) QE MET 31 - HA ARG 66 OK 17 81 - 22 - 5079=3, 5087/3.6=3...(10) HG3 PRO 14 - HA ARG 66 OK 14 68 - 21 - 2.3/2676=2, 2710/4.1=2...(10) HG2 PRO 14 - HA ARG 66 OK 14 68 - 21 - 2.3/2676=2, 2710/4.1=2...(10) HB VAL 90 - HA ARG 66 OK 12 99 - 12 - 743/3.0=2, 2710/4.1=1...(5) HG LEU 43 - HA ARG 66 poor 8 78 - 10 - 280/3.6=2, 4609/6072=1 HB2 GLU 87 - HA ARG 66 lone 2 81 - 2 - HB3 GLU 19 - HA ARG 66 lone 2 63 - 3 - HB3 PRO 56 - HA ARG 66 lone 1 81 - 2 - HG2 PRO 56 - HA ARG 66 lone 1 65 - 1 - Peak 2679 from cnoeabs.peaks (1.70, 3.98, 60.19 ppm; 3.81 A): 3 out of 11 assignments used, quality = 0.99: * HG3 ARG 66 + HA ARG 66 OK 95 100 - 95 - 4.1=82, 5039/3.0=23...(18) HG2 ARG 70 + HA ARG 66 OK 61 95 - 65 - 2865=8, 2866/3.0=6...(26) HB3 LEU 64 + HA ARG 66 OK 45 100 - 45 - ~5789=9, 744/3.0=7...(16) HB2 LEU 29 - HA ARG 66 OK 10 81 - 12 - 4.6/4841=1, 4.0/3924=1...(4) HG LEU 29 - HA ARG 66 poor 9 81 - 11 - 744/3.0=1, 1497/3.6=1 HG2 ARG 23 - HA ARG 66 lone 7 71 - 10 - HB2 LEU 43 - HA ARG 66 lone 5 60 - 8 - HB3 LYS 13 - HA ARG 66 lone 4 93 - 5 - HB2 ARG 82 - HA ARG 66 lone 4 100 - 4 - HB3 LYS 83 - HA ARG 66 lone 2 78 - 3 - HB3 LYS 85 - HA ARG 66 lone 2 65 - 3 - Peak 2680 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.65 A): 4 out of 13 assignments used, quality = 1.00: * HD2 ARG 66 + HA ARG 66 OK 95 100 - 95 - 5.2=72, ~5039=18...(29) HD3 ARG 66 + HA ARG 66 OK 95 100 - 95 - 5.2=72, ~5039=18...(29) HD3 ARG 70 + HA ARG 66 OK 69 92 - 75 - 3.0/2679=10, 3.5/2677=7...(44) HD2 ARG 70 + HA ARG 66 OK 66 89 - 75 - 3.0/2679=10, 3.5/2677=7...(45) HD2 ARG 26 - HA ARG 66 OK 41 92 - 45 - 3.5/2676=4, 3.5/2676=4...(16) HD3 ARG 26 - HA ARG 66 OK 41 93 - 44 - 3.5/2676=4, 3.5/2676=4...(16) HD3 ARG 71 - HA ARG 66 OK 22 97 - 23 - 5.8/304=3, 3.5/2676=2...(8) HD3 ARG 27 - HA ARG 66 OK 12 83 - 14 - HD2 ARG 27 - HA ARG 66 OK 12 83 - 14 - HD2 ARG 23 - HA ARG 66 OK 11 73 - 14 - 2.9/2679=1 HD3 ARG 23 - HA ARG 66 OK 11 73 - 14 - 2.9/2679=1 HD2 ARG 17 - HA ARG 66 lone 4 60 - 7 - HD3 ARG 17 - HA ARG 66 lone 4 60 - 7 - Peak 2681 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.65 A): 4 out of 13 assignments used, quality = 1.00: HD2 ARG 66 + HA ARG 66 OK 95 100 - 95 - 5.2=72, ~5039=18...(29) * HD3 ARG 66 + HA ARG 66 OK 95 100 - 95 - 5.2=72, ~5039=18...(29) HD3 ARG 70 + HA ARG 66 OK 66 89 - 75 - 3.0/2679=10, 3.5/2677=7...(44) HD2 ARG 70 + HA ARG 66 OK 64 85 - 75 - 3.0/2679=10, 3.5/2677=7...(45) HD2 ARG 26 - HA ARG 66 OK 42 95 - 45 - 3.5/2676=4, 3.5/2676=4...(16) HD3 ARG 26 - HA ARG 66 OK 42 96 - 44 - 3.5/2676=4, 3.5/2676=4...(16) HD3 ARG 71 - HA ARG 66 OK 22 95 - 23 - 5.8/304=3, 3.5/2676=2...(8) HD3 ARG 27 - HA ARG 66 OK 12 87 - 14 - HD2 ARG 27 - HA ARG 66 OK 12 87 - 14 - HD2 ARG 23 - HA ARG 66 OK 11 78 - 14 - 2.9/2679=1 HD3 ARG 23 - HA ARG 66 OK 11 78 - 14 - 2.9/2679=1 HD2 ARG 17 - HA ARG 66 lone 5 65 - 7 - HD3 ARG 17 - HA ARG 66 lone 5 65 - 7 - Peak 2682 from cnoeabs.peaks (8.59, 1.88, 29.95 ppm; 4.55 A): 1 out of 9 assignments used, quality = 1.00: * H ARG 66 + HB2 ARG 66 OK 100 100 - 100 - 4.0=100 H ARG 66 - HB2 ARG 26 OK 39 100 - 39 - 5036/3.0=7, 741=5...(14) H ARG 66 - HB3 ARG 26 OK 39 99 - 39 - 5036/3.0=7, 741=5...(14) H ARG 66 - HB3 ARG 71 OK 15 57 - 26 - 5036/3.0=8, 3.0/2676=2...(10) H ARG 66 - HB2 ARG 71 OK 14 55 - 26 - 5036/3.0=8, 3.0/2676=2...(10) H ARG 66 - HB3 ARG 27 lone 6 61 - 9 - H ARG 66 - HB3 ARG 23 lone 5 63 - 8 - H ARG 66 - HB2 ARG 27 lone 5 58 - 9 - H ARG 66 - HB2 ARG 23 lone 5 60 - 8 - Peak 2683 from cnoeabs.peaks (3.98, 1.88, 29.95 ppm; 4.15 A): 4 out of 90 assignments used, quality = 1.00: * HA ARG 66 + HB2 ARG 66 OK 100 100 - 100 - 3.0=100 HA ARG 70 + HB2 ARG 66 OK 49 71 - 70 - 2707/2.8=7, 2843/1.8=5...(36) HA ARG 66 + HB2 ARG 26 OK 48 100 - 49 - 2676=6, 2676/1.8=5...(17) HA ARG 66 + HB3 ARG 26 OK 48 99 - 49 - 2676=6, 2676/1.8=5...(17) HA LYS 32 - HB2 ARG 66 OK 27 100 - 27 - 2707/2.8=3, ~91=3...(12) HA ALA 28 - HB2 ARG 26 OK 25 84 - 31 - 2.1/4837=5, ~4837=4...(12) HA ALA 28 - HB3 ARG 26 OK 25 83 - 31 - 2.1/4837=5, ~4837=4...(12) HA ALA 28 - HB3 ARG 27 OK 22 45 - 48 - ~69=9, ~5347=7, 3.0/71=7...(14) HA ALA 28 - HB2 ARG 27 OK 21 43 - 48 - ~69=9, ~5347=7, 3.0/71=7...(14) HA2 GLY 72 - HB3 ARG 71 OK 21 48 - 43 - 3.0/314=8, 6034/4.0=8...(13) HA ARG 66 - HB3 ARG 71 OK 20 57 - 36 - 304/4.0=4, 2676=3...(14) HA2 GLY 72 - HB2 ARG 71 OK 20 47 - 43 - 3.0/314=8, 6034/4.0=8...(13) HA ARG 66 - HB2 ARG 71 OK 20 55 - 36 - 304/4.0=4, ~5036=3...(15) HA VAL 76 - HB2 ARG 66 OK 19 98 - 19 - 6044/1.8=3, 2707/2.8=2...(7) HA2 GLY 72 - HB2 ARG 66 OK 14 93 - 15 - ~5842=2, ~5378=1...(6) HA ALA 28 - HB2 ARG 66 OK 14 85 - 16 - 2.1/4837=2, 4176/1.8=2...(6) HA GLN 61 - HB2 ARG 66 OK 12 96 - 13 - 740/4.0=3, 2707/2.8=1 HA2 GLY 72 - HB2 ARG 26 OK 11 92 - 12 - ~312=2, 3.0/314=1...(5) HA2 GLY 72 - HB3 ARG 26 OK 11 92 - 12 - ~312=2, 3.0/314=1...(6) HA ARG 70 - HB2 ARG 26 poor 10 69 - 14 - 3.6/777=2, 4.7/1367=1 HA ARG 70 - HB3 ARG 26 poor 10 69 - 14 - 3.6/777=2, 4.7/1367=1 HA ARG 70 - HB3 ARG 71 poor 8 33 - 24 - 3.6/777=7, 4.7/2899=3...(8) HA LYS 32 - HB3 ARG 71 poor 8 57 - 14 - 304/4.0=1, 783/4.4=1, 1561/2.8=1 HA LYS 32 - HB2 ARG 26 lone 8 100 - 8 - HA LYS 32 - HB3 ARG 26 lone 8 99 - 8 - HA ARG 66 - HB3 ARG 27 poor 8 61 - 13 - 2676=1 HA ARG 70 - HB2 ARG 71 poor 8 32 - 24 - 3.6/777=7, 4.7/2899=3...(8) HA LYS 32 - HB2 ARG 71 poor 8 55 - 14 - 304/4.0=1, 783/4.4=1, 1561/2.8=1 HA ALA 28 - HB3 ARG 71 poor 8 42 - 18 - ~4181=3, ~4161=2...(7) HA ARG 66 - HB2 ARG 27 poor 7 58 - 13 - 2676=1 HA ALA 28 - HB2 ARG 71 poor 7 40 - 18 - ~4181=3, ~4161=2...(7) HA ARG 66 - HB3 ARG 23 poor 7 63 - 11 - HA ARG 66 - HB2 ARG 23 poor 7 60 - 11 - HA GLU 50 - HB2 ARG 66 lone 6 95 - 6 - 740/4.0=1 HA VAL 76 - HB3 ARG 71 poor 5 53 - 10 - 783/4.4=3, ~340=1 HA2 GLY 21 - HB2 ARG 66 lone 5 71 - 7 - HA VAL 76 - HB2 ARG 71 poor 5 51 - 10 - 783/4.4=3, ~340=1 HA3 GLY 21 - HB2 ARG 66 lone 5 68 - 7 - HA VAL 76 - HB3 ARG 27 lone 5 57 - 8 - 3984/4.3=3, ~340=1 HA VAL 76 - HB2 ARG 27 lone 5 55 - 8 - 3984/4.3=3, ~340=1 HA2 GLY 21 - HB2 ARG 26 lone 4 69 - 6 - HA2 GLY 21 - HB3 ARG 26 lone 4 69 - 6 - HA3 GLY 21 - HB2 ARG 26 lone 4 67 - 6 - HA3 GLY 21 - HB3 ARG 26 lone 4 66 - 6 - HA LYS 32 - HB3 ARG 27 lone 4 61 - 6 - 542/4.3=2 HA ALA 28 - HB3 ARG 23 lone 4 47 - 8 - ~5321=1, 3.0/71=1 HA LYS 32 - HB2 ARG 27 lone 4 58 - 6 - 542/4.3=2 HA2 GLY 72 - HB3 ARG 27 lone 4 52 - 7 - 3.0/314=1 HA ALA 28 - HB2 ARG 23 lone 4 45 - 8 - ~5321=1, 3.0/71=1 HA2 GLY 72 - HB2 ARG 27 lone 3 50 - 7 - 3.0/314=1 HA VAL 76 - HB2 ARG 26 lone 3 97 - 3 - HA VAL 76 - HB3 ARG 26 lone 3 97 - 3 - HA GLN 61 - HB3 ARG 23 lone 3 56 - 5 - HA GLN 61 - HB2 ARG 23 lone 3 53 - 5 - HA GLN 61 - HB3 ARG 27 lone 3 54 - 5 - 542/4.3=1 HA GLN 61 - HB2 ARG 27 lone 3 52 - 5 - 542/4.3=1 HA2 GLY 72 - HB3 ARG 23 lone 3 54 - 5 - HA GLU 50 - HB2 ARG 26 lone 2 93 - 3 - HA GLU 50 - HB3 ARG 26 lone 2 93 - 3 - HA2 GLY 72 - HB2 ARG 23 lone 2 51 - 5 - HA GLN 61 - HB2 ARG 26 lone 2 95 - 2 - HA GLN 61 - HB3 ARG 26 lone 2 94 - 2 - HA ARG 70 - HB3 ARG 27 lone 2 36 - 6 - 3.6/777=1 HA ARG 70 - HB2 ARG 27 lone 2 34 - 6 - 3.6/777=1 HA VAL 76 - HB3 ARG 23 lone 2 59 - 4 - HA VAL 76 - HB2 ARG 23 lone 2 56 - 4 - HA2 GLY 21 - HB3 ARG 27 lone 2 36 - 6 - HA2 GLY 21 - HB2 ARG 27 lone 2 34 - 6 - HA GLU 50 - HB3 ARG 27 lone 2 53 - 4 - HA3 GLY 21 - HB3 ARG 27 lone 2 34 - 6 - HA2 GLY 21 - HB3 ARG 71 lone 2 33 - 6 - HA GLU 50 - HB2 ARG 27 lone 2 51 - 4 - HA3 GLY 21 - HB2 ARG 27 lone 2 33 - 6 - HA2 GLY 21 - HB2 ARG 71 lone 2 32 - 6 - HA3 GLY 21 - HB3 ARG 71 lone 2 32 - 6 - HA3 GLY 21 - HB2 ARG 71 lone 2 31 - 6 - HA ARG 70 - HB3 ARG 23 lone 2 37 - 4 - 4156/4.2=1 HA GLN 61 - HB3 ARG 71 lone 2 51 - 3 - 783/4.4=1 HA ARG 70 - HB2 ARG 23 lone 2 35 - 4 - 4156/4.2=1 HA GLN 61 - HB2 ARG 71 lone 2 49 - 3 - 783/4.4=1 HA LYS 32 - HB3 ARG 23 lone 1 63 - 2 - HA LYS 32 - HB2 ARG 23 lone 1 60 - 2 - HA2 GLY 21 - HB3 ARG 23 lone 1 37 - 3 - HA3 GLY 21 - HB3 ARG 23 lone 1 36 - 3 - HA2 GLY 21 - HB2 ARG 23 lone 1 35 - 3 - HA GLU 50 - HB3 ARG 71 lone 1 50 - 2 - HA GLU 50 - HB3 ARG 23 lone 1 55 - 2 - HA3 GLY 21 - HB2 ARG 23 lone 1 34 - 3 - HA GLU 50 - HB2 ARG 71 lone 1 48 - 2 - HA GLU 50 - HB2 ARG 23 lone 1 52 - 2 - Peak 2684 from cnoeabs.peaks (1.88, 1.88, 29.95 ppm; diagonal): 3 out of 9 assignments used, quality = 1.00: * HB2 ARG 66 + HB2 ARG 66 OK 100 100 - 100 HB2 ARG 26 + HB2 ARG 26 OK 99 99 - 100 HB3 ARG 26 + HB3 ARG 26 OK 99 99 - 100 HB3 ARG 27 - HB3 ARG 27 OK 40 40 - 100 HB3 ARG 71 - HB3 ARG 71 OK 38 38 - 100 HB2 ARG 27 - HB2 ARG 27 OK 37 37 - 100 HB2 ARG 71 - HB2 ARG 71 OK 35 35 - 100 HB3 ARG 23 - HB3 ARG 23 OK 32 32 - 100 HB2 ARG 23 - HB2 ARG 23 OK 29 29 - 100 Peak 2685 from cnoeabs.peaks (1.94, 1.88, 29.95 ppm; 2.78 A): 3 out of 72 assignments used, quality = 1.00: * HB3 ARG 66 + HB2 ARG 66 OK 100 100 - 100 - 1.8=100 HB2 ARG 70 + HB2 ARG 66 OK 47 95 - 50 - 2701/2.8=4, 2709/2.8=4...(19) HB3 ARG 70 + HB2 ARG 66 OK 47 95 - 50 - 2701/2.8=4, 2709/2.8=4...(19) HB3 ARG 66 - HB2 ARG 26 OK 27 100 - 27 - 2.8/2708=2, 3.0/2676=2...(6) HB3 ARG 66 - HB3 ARG 26 OK 27 99 - 27 - 2.8/2708=2, 3.0/2676=2...(6) HG13 ILE 68 - HB2 ARG 66 OK 16 87 - 18 - 2.1/5974=2, 742/4.0=1...(8) HB3 ARG 66 - HB3 ARG 71 OK 13 57 - 23 - 305/4.0=2, 5372/3.0=2...(5) HB2 MET 31 - HB2 ARG 66 OK 13 99 - 13 - 2677/3.0=1, ~1538=1, 3772/4.6=1 HB3 ARG 66 - HB2 ARG 71 OK 13 55 - 23 - 305/4.0=2, 5372/3.0=2...(4) HB2 ARG 70 - HB3 ARG 71 poor 9 50 - 18 - 306/4.0=4, 5372/3.0=2...(4) HB3 ARG 70 - HB3 ARG 71 poor 9 50 - 18 - 306/4.0=4, 5372/3.0=2...(4) HB3 ARG 70 - HB2 ARG 71 poor 9 48 - 18 - 305/4.0=4, 5372/3.0=2...(4) HB2 ARG 70 - HB2 ARG 71 poor 9 48 - 18 - 305/4.0=4, 5372/3.0=2...(4) HB2 ARG 70 - HB2 ARG 26 lone 7 93 - 8 - HB3 ARG 70 - HB2 ARG 26 lone 7 93 - 8 - HB3 ARG 70 - HB3 ARG 26 lone 7 93 - 8 - HB2 ARG 70 - HB3 ARG 26 lone 7 93 - 8 - HB2 GLN 79 - HB2 ARG 66 lone 7 71 - 9 - HB VAL 41 - HB2 ARG 66 lone 6 96 - 6 - HB3 ARG 66 - HB3 ARG 23 lone 4 63 - 6 - HB3 ARG 66 - HB3 ARG 27 lone 4 61 - 6 - HG13 ILE 68 - HB3 ARG 26 lone 4 85 - 4 - HG13 ILE 68 - HB2 ARG 26 lone 4 86 - 4 - HB3 ARG 66 - HB2 ARG 27 lone 4 58 - 6 - HB3 ARG 66 - HB2 ARG 23 lone 4 60 - 6 - HG LEU 57 - HB2 ARG 66 lone 4 95 - 4 - HG13 ILE 68 - HB3 ARG 71 lone 3 43 - 8 - 2.1/5974=2, ~5974=1, ~5927=1 HG13 ILE 68 - HB2 ARG 71 lone 3 42 - 8 - 2.1/5974=2, ~5974=1, ~5927=1 HG13 ILE 68 - HB3 ARG 23 lone 3 48 - 6 - ~4759=1, ~5242=1 HG13 ILE 68 - HB2 ARG 23 lone 3 46 - 6 - ~4759=1, ~5242=1 HG13 ILE 68 - HB3 ARG 27 lone 2 46 - 4 - 2.1/5974=1 HG LEU 57 - HB2 ARG 26 lone 2 93 - 2 - HG13 ILE 68 - HB2 ARG 27 lone 2 45 - 4 - 2.1/5974=1 HG LEU 57 - HB3 ARG 26 lone 2 93 - 2 - HB3 ARG 70 - HB3 ARG 27 lone 2 53 - 3 - HB2 ARG 70 - HB3 ARG 27 lone 2 53 - 3 - HB VAL 41 - HB3 ARG 71 lone 2 51 - 3 - HB3 ARG 70 - HB2 ARG 27 lone 1 51 - 3 - HB2 ARG 70 - HB2 ARG 27 lone 1 51 - 3 - HB2 MET 31 - HB3 ARG 27 lone 1 59 - 2 - HB VAL 41 - HB2 ARG 71 lone 1 49 - 3 - HB2 MET 31 - HB2 ARG 26 lone 1 99 - 1 - HB2 MET 31 - HB3 ARG 26 lone 1 98 - 1 - HB2 MET 31 - HB2 ARG 27 lone 1 57 - 2 - HB VAL 41 - HB2 ARG 26 lone 1 95 - 1 - HB VAL 41 - HB3 ARG 26 lone 1 94 - 1 - HB2 MET 31 - HB3 ARG 71 lone 1 55 - 1 - HB2 MET 31 - HB2 ARG 71 lone 1 53 - 1 - HG LEU 57 - HB3 ARG 71 lone 1 50 - 1 - HG LEU 57 - HB2 ARG 71 lone 1 48 - 1 - HB2 MET 31 - HB3 ARG 23 lone 1 61 - 1 - HB2 MET 31 - HB2 ARG 23 lone 1 58 - 1 - HB3 ARG 70 - HB3 ARG 23 lone 1 55 - 1 - HB2 ARG 70 - HB3 ARG 23 lone 1 55 - 1 - HG LEU 57 - HB3 ARG 27 lone 1 53 - 1 - HB2 GLN 79 - HB2 ARG 26 lone 1 69 - 1 - HB2 GLN 79 - HB3 ARG 26 lone 1 69 - 1 - HB2 ARG 70 - HB2 ARG 23 lone 1 52 - 1 - HB3 ARG 70 - HB2 ARG 23 lone 1 52 - 1 - HG LEU 57 - HB2 ARG 27 lone 1 51 - 1 - HG LEU 57 - HB3 ARG 23 lone 0 55 - 1 - HB VAL 41 - HB3 ARG 27 lone 0 54 - 1 - HB VAL 41 - HB3 ARG 23 lone 0 56 - 1 - HB VAL 41 - HB2 ARG 27 lone 0 52 - 1 - HG LEU 57 - HB2 ARG 23 lone 0 52 - 1 - HB VAL 41 - HB2 ARG 23 lone 0 53 - 1 - HB2 GLN 79 - HB3 ARG 71 lone 0 33 - 1 - HB2 GLN 79 - HB2 ARG 71 lone 0 32 - 1 - HB2 GLN 79 - HB3 ARG 27 lone 0 36 - 1 - HB2 GLN 79 - HB2 ARG 27 lone 0 34 - 1 - HB2 GLN 79 - HB3 ARG 23 lone 0 37 - 0 - HB2 GLN 79 - HB2 ARG 23 lone 0 35 - 0 - Peak 2686 from cnoeabs.peaks (2.01, 1.88, 29.95 ppm; 3.25 A): 1 out of 126 assignments used, quality = 1.00: * HG2 ARG 66 + HB2 ARG 66 OK 100 100 - 100 - 2.8=100 HG2 ARG 66 - HB2 ARG 26 OK 39 100 - 40 - 1.8/2708=4, 2700=3...(13) HG2 ARG 66 - HB3 ARG 26 OK 39 99 - 40 - 1.8/2708=4, 2700=3...(13) HB3 MET 11 - HB2 ARG 66 OK 21 100 - 21 - 969=4, 2710/2.8=2...(7) HG2 ARG 66 - HB3 ARG 71 OK 18 57 - 32 - 5167/3.0=3, 1.8/2708=2...(9) HG2 ARG 66 - HB2 ARG 71 OK 17 55 - 32 - 5167/3.0=3, 1.8/2708=2...(9) HG3 PRO 14 - HB2 ARG 66 OK 17 68 - 25 - 2.3/1102=2, 2.3/1088=2...(9) HG2 PRO 14 - HB2 ARG 66 OK 17 68 - 25 - 2.3/1102=2, 2.3/1088=2...(9) HB3 GLN 79 - HB2 ARG 66 OK 14 90 - 15 - 5038/4.0=2, 2710/2.8=2...(6) HD3 ARG 69 - HB2 ARG 66 OK 13 83 - 16 - 2678/3.0=2, ~4733=2...(8) HD2 ARG 69 - HB2 ARG 66 OK 13 83 - 16 - 2678/3.0=2, ~4733=2...(8) HB VAL 90 - HB2 ARG 66 OK 12 99 - 12 - 969=2, 2710/2.8=1 QE MET 31 - HB2 ARG 66 poor 10 81 - 12 - 5079/3.0=2, 5087/4.6=2...(6) HG2 PRO 14 - HB2 ARG 26 poor 7 67 - 11 - 2.3/1102=1 HG3 PRO 14 - HB2 ARG 26 poor 7 67 - 11 - 2.3/1102=1 HG3 PRO 14 - HB3 ARG 26 poor 7 66 - 11 - 2.3/1102=1 HG2 PRO 14 - HB3 ARG 26 poor 7 66 - 11 - 2.3/1102=1 HG2 ARG 66 - HB3 ARG 27 poor 7 61 - 11 - HG2 ARG 66 - HB3 ARG 23 poor 7 63 - 10 - HG2 ARG 66 - HB2 ARG 27 poor 6 58 - 11 - HG LEU 43 - HB2 ARG 66 lone 6 78 - 8 - HG2 ARG 66 - HB2 ARG 23 poor 6 60 - 10 - HB3 MET 11 - HB2 ARG 26 lone 5 99 - 5 - HB3 MET 11 - HB3 ARG 26 lone 5 99 - 5 - HB VAL 90 - HB3 ARG 26 lone 4 97 - 4 - HB VAL 90 - HB2 ARG 26 lone 4 98 - 4 - HG LEU 43 - HB2 ARG 26 lone 3 77 - 4 - HG LEU 43 - HB3 ARG 26 lone 3 76 - 4 - HB2 GLU 87 - HB2 ARG 26 lone 2 79 - 3 - HB2 GLU 87 - HB3 ARG 26 lone 2 79 - 3 - HB3 GLU 19 - HB2 ARG 26 lone 2 62 - 3 - HB3 GLU 19 - HB3 ARG 26 lone 2 61 - 2 - HB3 GLN 79 - HB2 ARG 26 lone 1 89 - 2 - HB3 GLN 79 - HB3 ARG 26 lone 1 89 - 2 - QE MET 31 - HB3 ARG 27 lone 1 42 - 3 - ~6118=1 QE MET 31 - HB2 ARG 27 lone 1 40 - 3 - ~6118=1 HB2 GLU 87 - HB2 ARG 66 lone 1 81 - 1 - HG LEU 43 - HB3 ARG 71 lone 1 38 - 3 - QE MET 31 - HB2 ARG 26 lone 1 79 - 1 - HG LEU 43 - HB2 ARG 71 lone 1 36 - 3 - QE MET 31 - HB3 ARG 26 lone 1 79 - 1 - HB3 PRO 56 - HB2 ARG 66 lone 1 81 - 1 - HD3 ARG 69 - HB2 ARG 26 lone 1 81 - 1 - HD2 ARG 69 - HB2 ARG 26 lone 1 81 - 1 - HD2 ARG 69 - HB3 ARG 26 lone 1 81 - 1 - HD3 ARG 69 - HB3 ARG 26 lone 1 81 - 1 - HB3 PRO 56 - HB2 ARG 26 lone 1 79 - 1 - HB VAL 90 - HB3 ARG 71 lone 1 54 - 2 - HB3 PRO 56 - HB3 ARG 26 lone 1 79 - 1 - QE MET 31 - HB3 ARG 23 lone 1 44 - 2 - HG LEU 43 - HB3 ARG 27 lone 1 40 - 2 - HB VAL 90 - HB2 ARG 71 lone 1 52 - 2 - HB3 GLU 19 - HB2 ARG 66 lone 1 63 - 1 - HG LEU 43 - HB2 ARG 27 lone 1 39 - 2 - QE MET 31 - HB2 ARG 23 lone 1 42 - 2 - HG LEU 43 - HB3 ARG 23 lone 1 42 - 2 - HG2 PRO 56 - HB2 ARG 66 lone 1 65 - 1 - HG LEU 43 - HB2 ARG 23 lone 1 40 - 2 - HD2 ARG 69 - HB3 ARG 71 lone 1 41 - 1 - HD3 ARG 69 - HB3 ARG 71 lone 1 41 - 1 - HG2 PRO 56 - HB2 ARG 26 lone 1 64 - 1 - HB3 GLN 79 - HB3 ARG 71 lone 1 46 - 1 - HG2 PRO 56 - HB3 ARG 26 lone 1 64 - 1 - HB2 GLU 87 - HB3 ARG 27 lone 1 42 - 1 - HD3 ARG 69 - HB2 ARG 71 lone 1 39 - 1 - HD2 ARG 69 - HB2 ARG 71 lone 1 39 - 1 - HB3 GLN 79 - HB2 ARG 71 lone 1 44 - 1 - HB2 GLU 87 - HB2 ARG 27 lone 1 40 - 1 - HB3 GLN 79 - HB3 ARG 27 lone 0 49 - 1 - HB3 GLN 79 - HB2 ARG 27 lone 0 47 - 1 - HB3 MET 11 - HB3 ARG 71 lone 0 56 - 1 - QE MET 31 - HB3 ARG 71 lone 0 39 - 1 - HB3 MET 11 - HB2 ARG 71 lone 0 54 - 1 - HB VAL 90 - HB3 ARG 27 lone 0 58 - 1 - HB3 GLN 79 - HB3 ARG 23 lone 0 51 - 1 - QE MET 31 - HB2 ARG 71 lone 0 38 - 1 - HB VAL 90 - HB2 ARG 27 lone 0 55 - 1 - HB3 GLN 79 - HB2 ARG 23 lone 0 49 - 1 - HB2 GLU 87 - HB3 ARG 23 lone 0 44 - 1 - HB2 GLU 87 - HB2 ARG 23 lone 0 42 - 1 - HG2 PRO 14 - HB3 ARG 23 lone 0 36 - 1 - HG3 PRO 14 - HB3 ARG 23 lone 0 36 - 1 - HB3 MET 11 - HB3 ARG 27 lone 0 60 - 1 - HB3 GLU 19 - HB3 ARG 23 lone 0 32 - 1 - HB3 MET 11 - HB3 ARG 23 lone 0 62 - 1 - HB3 MET 11 - HB2 ARG 27 lone 0 58 - 1 - HG2 PRO 14 - HB2 ARG 23 lone 0 34 - 1 - HG3 PRO 14 - HB2 ARG 23 lone 0 34 - 1 - HB VAL 90 - HB3 ARG 23 lone 0 60 - 1 - HB3 GLU 19 - HB2 ARG 23 lone 0 31 - 1 - HB3 GLU 19 - HB3 ARG 27 lone 0 31 - 1 - HB3 MET 11 - HB2 ARG 23 lone 0 59 - 0 - HB VAL 90 - HB2 ARG 23 lone 0 57 - 1 - HB2 GLU 87 - HB3 ARG 71 lone 0 39 - 1 - HB3 GLU 19 - HB2 ARG 27 lone 0 30 - 1 - HB2 GLU 87 - HB2 ARG 71 lone 0 38 - 1 - HG3 PRO 14 - HB3 ARG 71 lone 0 32 - 1 - HG2 PRO 14 - HB3 ARG 71 lone 0 32 - 1 - HG2 PRO 14 - HB2 ARG 71 lone 0 31 - 1 - HG3 PRO 14 - HB2 ARG 71 lone 0 31 - 1 - HB3 PRO 56 - HB3 ARG 27 lone 0 42 - 1 - HB3 GLU 19 - HB3 ARG 71 lone 0 29 - 1 - HB3 PRO 56 - HB2 ARG 27 lone 0 40 - 1 - HB3 GLU 19 - HB2 ARG 71 lone 0 28 - 1 - HD2 ARG 69 - HB3 ARG 27 lone 0 43 - 1 - HD3 ARG 69 - HB3 ARG 27 lone 0 43 - 1 - HG2 PRO 14 - HB3 ARG 27 lone 0 34 - 1 - HG3 PRO 14 - HB3 ARG 27 lone 0 34 - 1 - HD2 ARG 69 - HB3 ARG 23 lone 0 45 - 1 - HD3 ARG 69 - HB3 ARG 23 lone 0 45 - 1 - HD3 ARG 69 - HB2 ARG 27 lone 0 42 - 1 - HD2 ARG 69 - HB2 ARG 27 lone 0 42 - 1 - HG2 PRO 14 - HB2 ARG 27 lone 0 33 - 1 - HG3 PRO 14 - HB2 ARG 27 lone 0 33 - 1 - HD3 ARG 69 - HB2 ARG 23 lone 0 43 - 1 - HD2 ARG 69 - HB2 ARG 23 lone 0 43 - 1 - HB3 PRO 56 - HB3 ARG 23 lone 0 44 - 0 - HB3 PRO 56 - HB3 ARG 71 lone 0 39 - 0 - HB3 PRO 56 - HB2 ARG 23 lone 0 42 - 0 - HB3 PRO 56 - HB2 ARG 71 lone 0 38 - 0 - HG2 PRO 56 - HB3 ARG 27 lone 0 33 - 1 - HG2 PRO 56 - HB2 ARG 27 lone 0 31 - 1 - HG2 PRO 56 - HB3 ARG 23 lone 0 34 - 0 - HG2 PRO 56 - HB3 ARG 71 lone 0 30 - 0 - HG2 PRO 56 - HB2 ARG 23 lone 0 32 - 0 - HG2 PRO 56 - HB2 ARG 71 lone 0 29 - 0 - Peak 2687 from cnoeabs.peaks (1.70, 1.88, 29.95 ppm; 3.18 A): 2 out of 99 assignments used, quality = 1.00: * HG3 ARG 66 + HB2 ARG 66 OK 100 100 - 100 - 2.8=100 HG2 ARG 70 + HB2 ARG 66 OK 54 95 - 57 - 2866/1.8=6, 2703/2.8=5...(22) HG3 ARG 66 - HB2 ARG 26 OK 38 100 - 38 - 2708=4, 2708/1.8=3...(12) HG3 ARG 66 - HB3 ARG 26 OK 38 99 - 38 - 2708=4, 2708/1.8=3...(12) HG2 ARG 23 - HB3 ARG 23 OK 37 37 - 100 - 3.0=100 HG2 ARG 23 - HB2 ARG 23 OK 35 35 - 100 - 3.0=100 HB3 LEU 64 - HB2 ARG 66 OK 29 100 - 29 - 2679/3.0=4, 744/4.0=4...(11) HB3 LEU 64 - HB3 ARG 23 OK 19 63 - 31 - 2630/3.0=4, 3.1/5022=3...(11) HB3 LEU 64 - HB2 ARG 23 OK 19 60 - 31 - 2630/3.0=4, 3.1/5022=3...(11) HG3 ARG 66 - HB3 ARG 71 OK 18 57 - 31 - 307/4.0=3, 2708=3...(8) HG3 ARG 66 - HB2 ARG 71 OK 17 55 - 31 - 307/4.0=3, 5395/3.0=2...(8) HG2 ARG 70 - HB3 ARG 71 OK 13 50 - 26 - 307/4.0=5, 5395/3.0=3...(4) HG2 ARG 70 - HB2 ARG 71 OK 12 48 - 25 - 307/4.0=5, 5395/3.0=3...(4) HG2 ARG 70 - HB2 ARG 26 OK 11 93 - 12 - 5395/3.0=1 HG2 ARG 70 - HB3 ARG 26 OK 11 93 - 12 - 5395/3.0=1 HB2 LEU 29 - HB2 ARG 26 OK 11 79 - 14 - 5348/3.0=3, 4.6/4194=2...(4) HB2 LEU 29 - HB3 ARG 26 OK 11 79 - 14 - 5348/3.0=3, 4.6/4194=2...(4) HG2 ARG 23 - HB3 ARG 27 poor 10 36 - 28 - 1285/3.0=3, 1287/1.8=2...(9) HG LEU 29 - HB2 ARG 26 poor 10 79 - 12 - ~5348=1, 5929/3.0=1, ~5349=1 HG LEU 29 - HB3 ARG 26 poor 10 79 - 12 - ~5348=1, 5929/3.0=1, ~5349=1 HG2 ARG 23 - HB2 ARG 27 poor 10 34 - 28 - 1285/3.0=3, 1287/1.8=2...(9) HB2 LEU 29 - HB2 ARG 66 poor 9 81 - 12 - 4.6/4194=1 HG LEU 29 - HB2 ARG 66 poor 9 81 - 11 - HB3 LEU 64 - HB3 ARG 27 poor 8 60 - 13 - 3.1/5028=2, 3.1/5022=1, ~5028=1 HB3 LEU 64 - HB2 ARG 27 poor 8 58 - 13 - 3.1/5028=2, 3.1/5022=1, ~5028=1 HB2 ARG 82 - HB3 ARG 23 poor 7 63 - 12 - 5480/3.0=2, 5889/3.5=1 HB3 LEU 64 - HB2 ARG 26 lone 7 100 - 7 - HB3 LEU 64 - HB3 ARG 26 lone 7 99 - 7 - HB2 ARG 82 - HB2 ARG 23 poor 7 60 - 12 - 5480/3.0=2, 5889/3.5=1 HG3 ARG 66 - HB3 ARG 27 poor 6 61 - 10 - HG3 ARG 66 - HB3 ARG 23 lone 6 63 - 10 - HG2 ARG 23 - HB2 ARG 66 lone 6 71 - 9 - HG3 ARG 66 - HB2 ARG 27 poor 6 58 - 10 - HG3 ARG 66 - HB2 ARG 23 lone 6 60 - 10 - HB3 LEU 64 - HB3 ARG 71 lone 5 57 - 9 - 307/4.0=1, 5395/3.0=1 HB3 LEU 64 - HB2 ARG 71 lone 5 55 - 9 - 307/4.0=1, 5395/3.0=1 HB2 LEU 29 - HB3 ARG 71 poor 5 39 - 13 - 5348/3.0=3, 307/4.0=2...(4) HB2 LEU 29 - HB2 ARG 71 poor 5 38 - 13 - 5348/3.0=3, 307/4.0=2...(4) HB3 LYS 13 - HB2 ARG 66 lone 5 93 - 5 - 4.8/1088=1, 4.8/1081=1 HG2 ARG 23 - HB3 ARG 71 poor 4 33 - 13 - 1287/1.8=1 HG2 ARG 23 - HB2 ARG 71 poor 4 32 - 13 - 1287/1.8=1 HG2 ARG 23 - HB2 ARG 26 lone 4 69 - 6 - HG2 ARG 23 - HB3 ARG 26 lone 4 69 - 6 - HG LEU 29 - HB3 ARG 71 poor 4 39 - 10 - ~5348=1, 5929/3.0=1 HG LEU 29 - HB2 ARG 71 poor 4 38 - 10 - ~5348=1, 5929/3.0=1 HB2 LEU 43 - HB2 ARG 66 lone 4 60 - 6 - HB2 ARG 82 - HB2 ARG 66 lone 3 100 - 3 - HB2 ARG 82 - HB3 ARG 71 lone 2 57 - 4 - HG2 ARG 70 - HB3 ARG 27 lone 2 53 - 4 - HB2 ARG 82 - HB2 ARG 71 lone 2 55 - 4 - HG2 ARG 70 - HB2 ARG 27 lone 2 51 - 4 - HB2 LEU 43 - HB2 ARG 26 lone 2 59 - 3 - HB3 LYS 13 - HB2 ARG 26 lone 2 92 - 2 - HB2 ARG 82 - HB2 ARG 26 lone 2 100 - 2 - HB2 LEU 43 - HB3 ARG 26 lone 2 58 - 3 - HB3 LYS 13 - HB3 ARG 26 lone 2 92 - 2 - HB2 ARG 82 - HB3 ARG 26 lone 2 99 - 2 - HB2 LEU 29 - HB3 ARG 27 lone 1 42 - 3 - HB2 LEU 29 - HB2 ARG 27 lone 1 40 - 3 - HB3 LYS 83 - HB2 ARG 66 lone 1 78 - 2 - HB2 LEU 29 - HB3 ARG 23 lone 1 44 - 3 - HB3 LYS 13 - HB3 ARG 23 lone 1 54 - 2 - HB2 LEU 29 - HB2 ARG 23 lone 1 42 - 3 - HB2 ARG 82 - HB3 ARG 27 lone 1 60 - 2 - HG LEU 29 - HB3 ARG 23 lone 1 44 - 3 - HB3 LYS 13 - HB2 ARG 23 lone 1 51 - 2 - HB2 ARG 82 - HB2 ARG 27 lone 1 58 - 2 - HB3 LYS 85 - HB2 ARG 66 lone 1 65 - 2 - HG LEU 29 - HB2 ARG 23 lone 1 42 - 3 - HG LEU 29 - HB3 ARG 27 lone 1 42 - 3 - HG LEU 29 - HB2 ARG 27 lone 1 40 - 3 - HG2 ARG 70 - HB3 ARG 23 lone 1 55 - 2 - HB3 LYS 83 - HB2 ARG 26 lone 1 77 - 1 - HB3 LYS 83 - HB3 ARG 26 lone 1 76 - 1 - HG2 ARG 70 - HB2 ARG 23 lone 1 52 - 2 - HB3 LYS 85 - HB2 ARG 26 lone 1 64 - 1 - HB3 LYS 85 - HB3 ARG 26 lone 1 64 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 1 30 - 3 - HB3 LYS 85 - HB2 ARG 71 lone 1 29 - 3 - HB2 LEU 43 - HB3 ARG 71 lone 1 27 - 3 - HB2 LEU 43 - HB2 ARG 71 lone 1 26 - 3 - HB2 LEU 43 - HB3 ARG 27 lone 1 29 - 2 - HB3 LYS 13 - HB3 ARG 71 lone 1 48 - 1 - HB2 LEU 43 - HB2 ARG 27 lone 1 28 - 2 - HB3 LYS 83 - HB3 ARG 71 lone 1 38 - 2 - HB3 LYS 13 - HB2 ARG 71 lone 1 47 - 1 - HB3 LYS 83 - HB2 ARG 71 lone 1 36 - 2 - HB3 LYS 13 - HB3 ARG 27 lone 1 52 - 1 - HB3 LYS 13 - HB2 ARG 27 lone 1 50 - 1 - HB3 LYS 83 - HB3 ARG 23 lone 0 42 - 1 - HB2 LEU 43 - HB3 ARG 23 lone 0 31 - 2 - HB3 LYS 83 - HB2 ARG 23 lone 0 40 - 1 - HB3 LYS 83 - HB3 ARG 27 lone 0 40 - 1 - HB2 LEU 43 - HB2 ARG 23 lone 0 29 - 2 - HB3 LYS 83 - HB2 ARG 27 lone 0 39 - 1 - HB3 LYS 85 - HB3 ARG 27 lone 0 33 - 1 - HB3 LYS 85 - HB2 ARG 27 lone 0 31 - 1 - HB3 LYS 85 - HB3 ARG 23 lone 0 34 - 1 - HB3 LYS 85 - HB2 ARG 23 lone 0 32 - 1 - Peak 2688 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 8 out of 117 assignments used, quality = 1.00: * HD2 ARG 66 + HB2 ARG 66 OK 89 100 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD3 ARG 66 + HB2 ARG 66 OK 89 100 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD3 ARG 26 + HB2 ARG 26 OK 83 92 - 90 - 3.5=83, 2948/3.0=2...(16) HD3 ARG 26 + HB3 ARG 26 OK 82 92 - 90 - 3.5=83, 2948/3.0=2...(16) HD2 ARG 26 + HB2 ARG 26 OK 81 91 - 90 - 3.5=83, 532/3.9=2...(16) HD2 ARG 26 + HB3 ARG 26 OK 81 90 - 90 - 3.5=83, 532/3.9=2...(16) HD3 ARG 70 + HB2 ARG 66 OK 53 92 - 58 - ~2867=3, ~2866=3...(43) HD2 ARG 70 + HB2 ARG 66 OK 51 89 - 58 - ~2867=3, ~2866=3...(43) HD3 ARG 71 - HB3 ARG 71 OK 45 52 - 87 - 3.5=78, 2948/2.8=3...(19) HD3 ARG 71 - HB2 ARG 71 OK 43 50 - 87 - 3.5=78, 2948/2.8=3...(19) HD3 ARG 27 - HB3 ARG 27 OK 38 43 - 88 - 3.5=78, 3.0/1449=2...(28) HD2 ARG 27 - HB3 ARG 27 OK 38 43 - 88 - 3.5=78, 3.0/1449=2...(28) HD2 ARG 27 - HB2 ARG 27 OK 37 42 - 88 - 3.5=78, 3.0/1449=2...(28) HD3 ARG 27 - HB2 ARG 27 OK 37 42 - 88 - 3.5=78, 3.0/1449=2...(28) HD2 ARG 66 - HB2 ARG 26 OK 36 100 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB2 ARG 26 OK 36 100 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB3 ARG 26 OK 36 99 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 36 99 - 36 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 23 - HB3 ARG 23 OK 35 39 - 89 - 3.5=78, 2.9/1287=6...(23) HD2 ARG 23 - HB3 ARG 23 OK 35 39 - 89 - 3.5=78, 2.9/1287=6...(23) HD3 ARG 23 - HB2 ARG 23 OK 33 37 - 89 - 3.5=78, 2.9/1287=6...(23) HD2 ARG 23 - HB2 ARG 23 OK 33 37 - 89 - 3.5=78, 2.9/1287=6...(23) HD3 ARG 71 - HB2 ARG 26 OK 29 96 - 31 - ~2929=2, 3.0/2931=2...(9) HD3 ARG 71 - HB3 ARG 26 OK 29 95 - 31 - ~2929=2, 3.0/2931=1...(9) HD2 ARG 26 - HB2 ARG 66 OK 26 92 - 29 - 3.0/1393=2, 2713/2.8=2...(7) HD3 ARG 26 - HB2 ARG 66 OK 26 93 - 28 - 3.0/1393=2, 2713/2.8=2...(8) HD3 ARG 26 - HB3 ARG 71 OK 21 48 - 44 - 2935/2.8=2, 3.0/1392=2...(11) HD2 ARG 26 - HB3 ARG 71 OK 21 47 - 44 - 2935/2.8=2, 3.0/1392=2...(10) HD3 ARG 26 - HB2 ARG 71 OK 20 47 - 44 - 2935/2.8=2, 3.0/1392=2...(11) HD2 ARG 26 - HB2 ARG 71 OK 20 46 - 44 - 2935/2.8=2, 3.0/1392=2...(10) HD2 ARG 66 - HB3 ARG 71 OK 18 57 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 66 - HB3 ARG 71 OK 18 57 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD2 ARG 66 - HB2 ARG 71 OK 17 55 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 66 - HB2 ARG 71 OK 17 55 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 27 - HB2 ARG 26 OK 17 81 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 17 81 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 17 81 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD3 ARG 27 - HB3 ARG 26 OK 17 81 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD3 ARG 26 - HB3 ARG 27 OK 16 52 - 31 - 3.0/1392=2, 5382/4.1=2 HD2 ARG 26 - HB3 ARG 27 OK 15 50 - 31 - 3.0/1392=2, 5382/4.1=2 HD3 ARG 26 - HB2 ARG 27 OK 15 50 - 31 - 3.0/1392=2, 5382/4.1=2 HD2 ARG 26 - HB2 ARG 27 OK 15 49 - 31 - 3.0/1392=2, 5382/4.1=2 HD3 ARG 70 - HB3 ARG 71 OK 11 47 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD2 ARG 70 - HB3 ARG 71 OK 11 45 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD3 ARG 70 - HB2 ARG 71 OK 11 46 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD3 ARG 71 - HB2 ARG 66 OK 11 97 - 11 - HD2 ARG 70 - HB2 ARG 71 OK 10 43 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD3 ARG 23 - HB3 ARG 27 poor 10 37 - 26 - ~1285=2, 2.9/1287=2...(7) HD2 ARG 23 - HB3 ARG 27 poor 10 37 - 26 - ~1285=2, 2.9/1287=2...(7) HD2 ARG 23 - HB2 ARG 27 poor 9 36 - 26 - ~1285=2, 2.9/1287=2...(7) HD3 ARG 23 - HB2 ARG 27 poor 9 36 - 26 - ~1285=2, 2.9/1287=2...(7) HD3 ARG 70 - HB2 ARG 26 lone 9 91 - 10 - HD3 ARG 70 - HB3 ARG 26 lone 9 90 - 10 - HD2 ARG 70 - HB2 ARG 26 poor 9 87 - 10 - HD2 ARG 70 - HB3 ARG 26 poor 9 87 - 10 - HD3 ARG 71 - HB3 ARG 27 poor 8 55 - 15 - 3.0/2931=1 HD3 ARG 71 - HB2 ARG 27 poor 8 53 - 15 - 3.0/2931=1 HD3 ARG 17 - HB2 ARG 26 poor 8 59 - 14 - HD2 ARG 17 - HB2 ARG 26 poor 8 59 - 14 - HD2 ARG 17 - HB3 ARG 26 poor 8 58 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 8 58 - 14 - HD3 ARG 27 - HB2 ARG 66 lone 7 83 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 7 83 - 8 - HD3 ARG 27 - HB3 ARG 23 poor 7 45 - 15 - 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 poor 7 45 - 15 - 5300/4.2=1 HD2 ARG 66 - HB3 ARG 27 poor 6 61 - 10 - HD2 ARG 27 - HB2 ARG 23 poor 6 43 - 15 - 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 poor 6 43 - 15 - 5300/4.2=1 HD2 ARG 66 - HB3 ARG 23 lone 6 63 - 10 - HD3 ARG 66 - HB3 ARG 27 poor 6 60 - 10 - HD3 ARG 27 - HB3 ARG 71 poor 6 41 - 15 - HD2 ARG 27 - HB3 ARG 71 poor 6 41 - 15 - HD3 ARG 66 - HB3 ARG 23 lone 6 63 - 10 - HD2 ARG 66 - HB2 ARG 27 poor 6 58 - 10 - HD2 ARG 23 - HB2 ARG 66 lone 6 73 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 6 73 - 8 - HD3 ARG 66 - HB2 ARG 27 poor 6 58 - 10 - HD2 ARG 27 - HB2 ARG 71 poor 6 39 - 15 - HD3 ARG 27 - HB2 ARG 71 poor 6 39 - 15 - HD2 ARG 66 - HB2 ARG 23 lone 6 60 - 10 - HD2 ARG 17 - HB3 ARG 71 poor 6 27 - 22 - ~2934=1 HD3 ARG 17 - HB3 ARG 71 poor 6 27 - 22 - ~2934=1 HD3 ARG 66 - HB2 ARG 23 lone 6 60 - 9 - HD2 ARG 17 - HB2 ARG 71 poor 6 26 - 22 - ~2934=1 HD3 ARG 17 - HB2 ARG 71 poor 6 26 - 22 - ~2934=1 HD3 ARG 23 - HB2 ARG 26 lone 5 72 - 7 - HD2 ARG 23 - HB2 ARG 26 lone 5 72 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 5 72 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 5 72 - 7 - HD3 ARG 26 - HB3 ARG 23 lone 5 54 - 8 - HD2 ARG 23 - HB3 ARG 71 poor 5 35 - 13 - HD3 ARG 23 - HB3 ARG 71 poor 5 35 - 13 - HD2 ARG 26 - HB3 ARG 23 lone 4 52 - 8 - HD3 ARG 26 - HB2 ARG 23 lone 4 51 - 8 - HD2 ARG 23 - HB2 ARG 71 poor 4 33 - 13 - HD3 ARG 23 - HB2 ARG 71 poor 4 33 - 13 - HD3 ARG 71 - HB3 ARG 23 lone 4 57 - 7 - HD2 ARG 26 - HB2 ARG 23 lone 4 50 - 8 - HD3 ARG 71 - HB2 ARG 23 lone 4 54 - 7 - HD3 ARG 17 - HB3 ARG 27 poor 3 29 - 12 - HD2 ARG 17 - HB3 ARG 27 poor 3 29 - 12 - HD2 ARG 17 - HB2 ARG 27 poor 3 28 - 12 - HD3 ARG 17 - HB2 ARG 27 poor 3 28 - 12 - HD3 ARG 17 - HB2 ARG 66 lone 3 60 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 3 60 - 4 - HD3 ARG 17 - HB3 ARG 23 lone 2 31 - 7 - HD2 ARG 17 - HB3 ARG 23 lone 2 31 - 7 - HD2 ARG 17 - HB2 ARG 23 lone 2 29 - 7 - HD3 ARG 17 - HB2 ARG 23 lone 2 29 - 7 - HD3 ARG 70 - HB3 ARG 27 lone 2 50 - 3 - HD3 ARG 70 - HB2 ARG 27 lone 2 49 - 3 - HD2 ARG 70 - HB3 ARG 27 lone 2 48 - 3 - HD2 ARG 70 - HB2 ARG 27 lone 2 46 - 3 - HD3 ARG 70 - HB3 ARG 23 lone 1 52 - 2 - HD3 ARG 70 - HB2 ARG 23 lone 1 50 - 2 - HD2 ARG 70 - HB3 ARG 23 lone 1 50 - 2 - HD2 ARG 70 - HB2 ARG 23 lone 1 47 - 2 - Peak 2689 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 8 out of 117 assignments used, quality = 1.00: * HD3 ARG 66 + HB2 ARG 66 OK 89 100 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD2 ARG 66 + HB2 ARG 66 OK 89 100 - 89 - 3.4=84, ~2701=5, ~2707=3...(15) HD3 ARG 26 + HB2 ARG 26 OK 85 95 - 90 - 3.5=83, 532/3.9=2...(16) HD3 ARG 26 + HB3 ARG 26 OK 84 94 - 90 - 3.5=83, 532/3.9=2...(16) HD2 ARG 26 + HB2 ARG 26 OK 84 93 - 90 - 3.5=83, 532/3.9=2...(16) HD2 ARG 26 + HB3 ARG 26 OK 83 93 - 90 - 3.5=83, 532/3.9=2...(16) HD3 ARG 70 + HB2 ARG 66 OK 51 89 - 58 - ~2867=3, ~2866=3...(43) HD2 ARG 70 + HB2 ARG 66 OK 49 85 - 58 - ~2867=3, ~2866=3...(43) HD3 ARG 71 - HB3 ARG 71 OK 43 50 - 87 - 3.5=78, 2948/2.8=3...(19) HD3 ARG 71 - HB2 ARG 71 OK 41 48 - 87 - 3.5=78, 2948/2.8=3...(19) HD3 ARG 27 - HB3 ARG 27 OK 41 46 - 88 - 3.5=78, 5382/4.1=2...(28) HD2 ARG 27 - HB3 ARG 27 OK 41 46 - 88 - 3.5=78, 5382/4.1=2...(28) HD2 ARG 27 - HB2 ARG 27 OK 39 45 - 88 - 3.5=78, 5382/4.1=2...(28) HD3 ARG 27 - HB2 ARG 27 OK 39 45 - 88 - 3.5=78, 5382/4.1=2...(28) HD2 ARG 23 - HB3 ARG 23 OK 37 42 - 89 - 3.5=78, 2.9/1287=6...(23) HD3 ARG 23 - HB3 ARG 23 OK 37 42 - 89 - 3.5=78, 2.9/1287=6...(23) HD2 ARG 66 - HB2 ARG 26 OK 36 100 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB2 ARG 26 OK 36 100 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB3 ARG 26 OK 36 99 - 37 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 66 - HB3 ARG 26 OK 36 99 - 36 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 23 - HB2 ARG 23 OK 36 40 - 89 - 3.5=78, 2.9/1287=6...(23) HD3 ARG 23 - HB2 ARG 23 OK 36 40 - 89 - 3.5=78, 2.9/1287=6...(23) HD3 ARG 71 - HB2 ARG 26 OK 29 93 - 31 - ~2929=2, 3.0/2931=2...(9) HD3 ARG 71 - HB3 ARG 26 OK 29 93 - 31 - ~2929=2, 3.0/2931=1...(9) HD2 ARG 26 - HB2 ARG 66 OK 27 95 - 29 - 3.0/1393=2, 2713/2.8=2...(7) HD3 ARG 26 - HB2 ARG 66 OK 26 96 - 28 - 3.0/1393=2, 2713/2.8=2...(8) HD3 ARG 26 - HB3 ARG 71 OK 22 51 - 44 - 2935/2.8=2, 3.0/1392=2...(11) HD2 ARG 26 - HB3 ARG 71 OK 22 50 - 44 - 3.0/1392=2, 2935/2.8=2...(9) HD3 ARG 26 - HB2 ARG 71 OK 21 49 - 44 - 2935/2.8=2, 3.0/1392=2...(11) HD2 ARG 26 - HB2 ARG 71 OK 21 48 - 44 - 2935/2.8=2, 3.0/1392=2...(10) HD2 ARG 66 - HB3 ARG 71 OK 18 57 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 66 - HB3 ARG 71 OK 18 57 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 27 - HB2 ARG 26 OK 18 86 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD2 ARG 27 - HB2 ARG 26 OK 18 86 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD2 ARG 27 - HB3 ARG 26 OK 18 85 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD3 ARG 27 - HB3 ARG 26 OK 18 85 - 21 - 5382/4.6=2, 532/3.9=1...(4) HD2 ARG 66 - HB2 ARG 71 OK 17 55 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 66 - HB2 ARG 71 OK 17 55 - 32 - 2935/2.8=2, 3.0/2708=2...(11) HD3 ARG 26 - HB3 ARG 27 OK 17 54 - 31 - 3.0/1392=2, 5382/4.1=2 HD2 ARG 26 - HB3 ARG 27 OK 16 53 - 31 - 3.0/1392=2, 5382/4.1=2 HD3 ARG 26 - HB2 ARG 27 OK 16 52 - 31 - 5382/4.1=2, 3.0/1392=2 HD2 ARG 26 - HB2 ARG 27 OK 16 51 - 31 - 5382/4.1=2, 3.0/1392=2 HD3 ARG 70 - HB3 ARG 71 OK 11 45 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD3 ARG 23 - HB3 ARG 27 OK 11 40 - 27 - ~1285=2, 2.9/1287=2...(7) HD2 ARG 23 - HB3 ARG 27 OK 11 40 - 27 - ~1285=2, 2.9/1287=2...(7) HD3 ARG 71 - HB2 ARG 66 OK 11 95 - 11 - HD3 ARG 70 - HB2 ARG 71 OK 10 43 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD2 ARG 23 - HB2 ARG 27 OK 10 39 - 27 - ~1285=2, 2.9/1287=2...(7) HD3 ARG 23 - HB2 ARG 27 OK 10 39 - 27 - ~1285=2, 2.9/1287=2...(7) HD2 ARG 70 - HB3 ARG 71 OK 10 42 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD2 ARG 70 - HB2 ARG 71 poor 10 40 - 24 - 2935/2.8=2, 5833/4.0=2...(6) HD2 ARG 17 - HB2 ARG 26 poor 9 64 - 14 - HD3 ARG 17 - HB2 ARG 26 poor 9 64 - 14 - HD3 ARG 17 - HB3 ARG 26 poor 9 64 - 14 - HD2 ARG 17 - HB3 ARG 26 poor 9 64 - 14 - HD3 ARG 70 - HB2 ARG 26 lone 9 87 - 10 - HD3 ARG 70 - HB3 ARG 26 lone 9 87 - 10 - HD2 ARG 70 - HB2 ARG 26 poor 8 84 - 10 - HD2 ARG 70 - HB3 ARG 26 poor 8 83 - 10 - HD3 ARG 71 - HB3 ARG 27 poor 8 53 - 15 - 3.0/2931=1 HD3 ARG 71 - HB2 ARG 27 poor 8 51 - 15 - 3.0/2931=1 HD3 ARG 27 - HB2 ARG 66 lone 7 87 - 8 - HD2 ARG 27 - HB2 ARG 66 lone 7 87 - 8 - HD3 ARG 27 - HB3 ARG 23 poor 7 48 - 15 - 5300/4.2=1 HD2 ARG 27 - HB3 ARG 23 poor 7 48 - 15 - 5300/4.2=1 HD3 ARG 27 - HB2 ARG 23 poor 7 46 - 15 - 5300/4.2=1 HD2 ARG 27 - HB2 ARG 23 poor 7 46 - 15 - 5300/4.2=1 HD3 ARG 27 - HB3 ARG 71 poor 7 43 - 15 - HD2 ARG 27 - HB3 ARG 71 poor 7 43 - 15 - HD3 ARG 17 - HB3 ARG 71 poor 7 30 - 22 - ~2934=1 HD2 ARG 17 - HB3 ARG 71 poor 7 30 - 22 - ~2934=1 HD3 ARG 23 - HB2 ARG 66 lone 6 78 - 8 - HD2 ARG 23 - HB2 ARG 66 lone 6 78 - 8 - HD2 ARG 27 - HB2 ARG 71 poor 6 42 - 15 - HD3 ARG 27 - HB2 ARG 71 poor 6 42 - 15 - HD3 ARG 17 - HB2 ARG 71 poor 6 29 - 22 - ~2934=1 HD2 ARG 17 - HB2 ARG 71 poor 6 29 - 22 - ~2934=1 HD2 ARG 66 - HB3 ARG 27 poor 6 60 - 10 - HD2 ARG 66 - HB3 ARG 23 lone 6 63 - 10 - HD3 ARG 66 - HB3 ARG 27 poor 6 61 - 10 - HD3 ARG 66 - HB3 ARG 23 lone 6 63 - 10 - HD2 ARG 66 - HB2 ARG 27 poor 6 58 - 10 - HD3 ARG 66 - HB2 ARG 27 poor 6 58 - 10 - HD2 ARG 66 - HB2 ARG 23 lone 6 60 - 10 - HD3 ARG 66 - HB2 ARG 23 lone 6 60 - 10 - HD3 ARG 23 - HB2 ARG 26 lone 6 77 - 7 - HD2 ARG 23 - HB2 ARG 26 lone 6 77 - 7 - HD3 ARG 23 - HB3 ARG 26 lone 6 76 - 7 - HD2 ARG 23 - HB3 ARG 26 lone 6 76 - 7 - HD2 ARG 23 - HB3 ARG 71 poor 5 38 - 13 - HD3 ARG 23 - HB3 ARG 71 poor 5 38 - 13 - HD3 ARG 26 - HB3 ARG 23 lone 5 56 - 8 - HD2 ARG 23 - HB2 ARG 71 poor 5 36 - 13 - HD3 ARG 23 - HB2 ARG 71 poor 5 36 - 13 - HD2 ARG 26 - HB3 ARG 23 lone 5 55 - 8 - HD3 ARG 26 - HB2 ARG 23 lone 5 53 - 8 - HD2 ARG 26 - HB2 ARG 23 lone 4 52 - 8 - HD3 ARG 71 - HB3 ARG 23 lone 4 55 - 7 - HD3 ARG 71 - HB2 ARG 23 lone 4 52 - 7 - HD3 ARG 17 - HB3 ARG 27 poor 4 33 - 12 - HD2 ARG 17 - HB3 ARG 27 poor 4 33 - 12 - HD3 ARG 17 - HB2 ARG 27 poor 4 31 - 12 - HD2 ARG 17 - HB2 ARG 27 poor 4 31 - 12 - HD2 ARG 17 - HB2 ARG 66 lone 3 65 - 4 - HD3 ARG 17 - HB2 ARG 66 lone 3 65 - 4 - HD2 ARG 17 - HB3 ARG 23 lone 3 34 - 7 - HD3 ARG 17 - HB3 ARG 23 lone 3 34 - 7 - HD3 ARG 17 - HB2 ARG 23 lone 2 32 - 7 - HD2 ARG 17 - HB2 ARG 23 lone 2 32 - 7 - HD3 ARG 70 - HB3 ARG 27 lone 2 48 - 3 - HD3 ARG 70 - HB2 ARG 27 lone 1 46 - 3 - HD2 ARG 70 - HB3 ARG 27 lone 1 45 - 3 - HD2 ARG 70 - HB2 ARG 27 lone 1 43 - 3 - HD3 ARG 70 - HB3 ARG 23 lone 1 50 - 2 - HD3 ARG 70 - HB2 ARG 23 lone 1 47 - 2 - HD2 ARG 70 - HB3 ARG 23 lone 1 47 - 2 - HD2 ARG 70 - HB2 ARG 23 lone 1 45 - 2 - Peak 2690 from cnoeabs.peaks (8.59, 1.94, 29.95 ppm; 4.44 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 4.0=100 H ARG 66 + HB3 ARG 70 OK 62 89 - 70 - 742=9, 742/1.8=9...(27) H ARG 66 + HB2 ARG 70 OK 62 89 - 70 - 742=9, 742/1.8=9...(27) Peak 2691 from cnoeabs.peaks (3.98, 1.94, 29.95 ppm; 3.64 A): 5 out of 30 assignments used, quality = 1.00: * HA ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 3.0=100 HA ARG 66 + HB3 ARG 70 OK 59 89 - 66 - 2677=9, 2677/1.8=7...(29) HA ARG 66 + HB2 ARG 70 OK 59 89 - 66 - 2677=9, 2677/1.8=7...(29) HA ARG 70 + HB3 ARG 70 OK 57 57 - 100 - 3.0=100 HA ARG 70 + HB2 ARG 70 OK 57 57 - 100 - 3.0=100 HA ARG 70 - HB3 ARG 66 OK 41 71 - 58 - 2843=5, 2707/2.8=5...(30) HA LYS 32 - HB3 ARG 66 OK 21 100 - 21 - 3.0/91=3, 2707/2.8=2...(10) HA LYS 32 - HB2 ARG 70 OK 19 89 - 21 - 1554/4.1=3, 3.0/91=2...(8) HA LYS 32 - HB3 ARG 70 OK 19 89 - 21 - 1554/4.1=3, 3.0/91=2...(8) HA VAL 76 - HB3 ARG 66 OK 15 98 - 15 - 6044=2, 2707/2.8=2...(4) HA ALA 28 - HB3 ARG 66 OK 12 85 - 15 - 2707/2.8=1, ~4837=1...(5) HA2 GLY 72 - HB3 ARG 66 OK 12 93 - 13 - 3.0/5842=2, 2707/2.8=1, ~5378=1 HA2 GLY 72 - HB2 ARG 70 OK 12 79 - 15 - 6034/4.4=5, 3.0/5842=4...(4) HA2 GLY 72 - HB3 ARG 70 OK 12 79 - 15 - 6034/4.4=5, 3.0/5842=4...(4) HA GLN 61 - HB3 ARG 66 OK 11 96 - 12 - 740/4.0=2, 2707/2.8=1 HA VAL 76 - HB3 ARG 70 OK 11 85 - 13 - 3156/4.1=3, 6044/1.8=2...(4) HA VAL 76 - HB2 ARG 70 OK 11 85 - 13 - 3156/4.1=3, 6044/1.8=2...(4) HA GLU 50 - HB3 ARG 66 lone 5 95 - 5 - HA2 GLY 21 - HB3 ARG 66 lone 4 71 - 5 - HA3 GLY 21 - HB3 ARG 66 lone 4 68 - 5 - HA ALA 28 - HB2 ARG 70 lone 4 70 - 5 - 3761/4.1=1 HA ALA 28 - HB3 ARG 70 lone 4 70 - 5 - 3761/4.1=1 HA GLN 61 - HB2 ARG 70 lone 3 81 - 4 - HA GLN 61 - HB3 ARG 70 lone 3 81 - 4 - HA GLU 50 - HB2 ARG 70 lone 1 80 - 2 - HA GLU 50 - HB3 ARG 70 lone 1 80 - 2 - HA2 GLY 21 - HB3 ARG 70 lone 1 57 - 1 - HA2 GLY 21 - HB2 ARG 70 lone 1 57 - 1 - HA3 GLY 21 - HB3 ARG 70 lone 1 55 - 1 - HA3 GLY 21 - HB2 ARG 70 lone 1 55 - 1 - Peak 2692 from cnoeabs.peaks (1.88, 1.94, 29.95 ppm; 2.49 A): 1 out of 48 assignments used, quality = 1.00: * HB2 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 1.8=100 HB2 ARG 66 - HB3 ARG 70 OK 35 89 - 39 - 2.8/2701=3, 2.8/2709=3...(14) HB2 ARG 66 - HB2 ARG 70 OK 35 89 - 39 - 2.8/2701=3, 2.8/2709=3...(14) HB3 ARG 26 - HB3 ARG 66 OK 20 100 - 20 - 2708/2.8=2, 2676/3.0=1...(4) HB2 ARG 26 - HB3 ARG 66 OK 20 100 - 20 - 2708/2.8=2, 2676/3.0=1...(4) HB3 ARG 71 - HB3 ARG 66 OK 13 78 - 17 - 4.0/305=2, 3.0/5372=1 HB2 ARG 71 - HB3 ARG 66 OK 13 76 - 17 - 4.0/305=2, 3.0/5372=1 HB3 PRO 14 - HB3 ARG 66 OK 12 97 - 13 - HB ILE 68 - HB3 ARG 66 OK 10 81 - 13 - 3.9/756=1 HB2 MET 11 - HB3 ARG 66 poor 10 98 - 10 - 965/2.8=1, ~969=1, 1.8/2694=1 HB3 ARG 71 - HB2 ARG 70 poor 8 64 - 13 - 4.0/306=3, 3.0/5372=1 HB3 ARG 71 - HB3 ARG 70 poor 8 64 - 13 - 4.0/306=3, 3.0/5372=1 HB2 ARG 71 - HB3 ARG 70 poor 8 61 - 13 - 4.0/306=3, 3.0/5372=1 HB2 ARG 71 - HB2 ARG 70 poor 8 61 - 13 - 4.0/306=3, 3.0/5372=1 HB2 ARG 26 - HB3 ARG 70 lone 5 88 - 6 - HB2 ARG 26 - HB2 ARG 70 lone 5 88 - 6 - HB3 ARG 26 - HB3 ARG 70 lone 5 88 - 6 - HB3 ARG 26 - HB2 ARG 70 lone 5 88 - 6 - HB3 ARG 27 - HB3 ARG 66 lone 4 78 - 5 - HB2 ARG 27 - HB3 ARG 66 lone 4 76 - 5 - HB3 ARG 23 - HB3 ARG 66 lone 3 63 - 4 - HB2 ARG 23 - HB3 ARG 66 lone 3 60 - 4 - HB3 PRO 34 - HB3 ARG 66 lone 2 100 - 2 - HG12 ILE 40 - HB3 ARG 66 lone 2 60 - 3 - HB2 LYS 39 - HB3 ARG 66 lone 1 81 - 2 - HB3 ARG 27 - HB3 ARG 70 lone 1 64 - 2 - HB3 ARG 27 - HB2 ARG 70 lone 1 64 - 2 - HB2 ARG 27 - HB3 ARG 70 lone 1 61 - 2 - HB2 ARG 27 - HB2 ARG 70 lone 1 61 - 2 - HB3 PRO 14 - HB2 ARG 70 lone 1 83 - 1 - HB3 PRO 14 - HB3 ARG 70 lone 1 83 - 1 - HB ILE 68 - HB3 ARG 70 lone 1 66 - 2 - HB ILE 68 - HB2 ARG 70 lone 1 66 - 2 - HB2 LYS 39 - HB2 ARG 70 lone 1 66 - 1 - HB2 LYS 39 - HB3 ARG 70 lone 1 66 - 1 - HB2 MET 11 - HB3 ARG 70 lone 1 85 - 1 - HB2 MET 11 - HB2 ARG 70 lone 1 85 - 1 - HB3 PRO 34 - HB3 ARG 70 lone 1 89 - 1 - HB3 PRO 34 - HB2 ARG 70 lone 1 89 - 1 - HB2 GLN 91 - HB3 ARG 66 lone 0 81 - 1 - HB3 ARG 23 - HB2 ARG 70 lone 0 50 - 1 - HB3 ARG 23 - HB3 ARG 70 lone 0 50 - 1 - HB2 ARG 23 - HB2 ARG 70 lone 0 48 - 1 - HB2 ARG 23 - HB3 ARG 70 lone 0 48 - 1 - HG12 ILE 40 - HB2 ARG 70 lone 0 48 - 0 - HG12 ILE 40 - HB3 ARG 70 lone 0 48 - 0 - HB2 GLN 91 - HB3 ARG 70 lone 0 66 - 0 - HB2 GLN 91 - HB2 ARG 70 lone 0 66 - 0 - Peak 2693 from cnoeabs.peaks (1.94, 1.94, 29.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 66 + HB3 ARG 66 OK 100 100 - 100 HB3 ARG 70 + HB3 ARG 70 OK 80 80 - 100 HB2 ARG 70 + HB2 ARG 70 OK 80 80 - 100 Peak 2694 from cnoeabs.peaks (2.01, 1.94, 29.95 ppm; 3.11 A): 3 out of 42 assignments used, quality = 1.00: * HG2 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 2.8=100 HG2 ARG 66 + HB3 ARG 70 OK 57 89 - 64 - 2701=8, 2701/1.8=7...(31) HG2 ARG 66 + HB2 ARG 70 OK 57 89 - 64 - 2701=8, 2701/1.8=7...(31) HB3 MET 11 - HB3 ARG 66 OK 18 100 - 18 - 969/1.8=3, 2710/2.8=2...(8) HG3 PRO 14 - HB3 ARG 66 OK 14 68 - 21 - 2710/2.8=2, ~1088=1...(6) HG2 PRO 14 - HB3 ARG 66 OK 14 68 - 21 - 2710/2.8=2, ~1088=1...(6) HB3 GLN 79 - HB3 ARG 66 OK 13 90 - 14 - 5038/4.0=2, 2710/2.8=2...(4) HD2 ARG 69 - HB3 ARG 66 OK 12 83 - 15 - 2678/3.0=2, ~4733=2...(5) HD3 ARG 69 - HB3 ARG 66 OK 12 83 - 15 - 2678/3.0=2, ~4733=2...(5) QE MET 31 - HB3 ARG 66 OK 12 81 - 15 - 3.3/1550=2, 3.3/1544=2...(6) HB VAL 90 - HB3 ARG 66 OK 11 99 - 11 - 2710/2.8=1, 969/1.8=1 HG LEU 43 - HB3 ARG 66 lone 6 78 - 7 - QE MET 31 - HB3 ARG 70 lone 4 66 - 6 - QE MET 31 - HB2 ARG 70 lone 4 66 - 6 - HB3 GLN 79 - HB2 ARG 70 lone 4 75 - 5 - HB3 GLN 79 - HB3 ARG 70 lone 4 75 - 5 - HD3 ARG 69 - HB3 ARG 70 lone 3 68 - 5 - ~5983=1 HD2 ARG 69 - HB2 ARG 70 lone 3 68 - 5 - ~5983=1 HD3 ARG 69 - HB2 ARG 70 lone 3 68 - 5 - ~5983=1 HD2 ARG 69 - HB3 ARG 70 lone 3 68 - 5 - ~5983=1 HG LEU 43 - HB3 ARG 70 lone 3 64 - 4 - HG LEU 43 - HB2 ARG 70 lone 3 64 - 4 - HB3 PRO 56 - HB3 ARG 66 lone 1 81 - 1 - HB3 MET 11 - HB2 ARG 70 lone 1 88 - 1 - HB3 MET 11 - HB3 ARG 70 lone 1 88 - 1 - HB VAL 90 - HB3 ARG 70 lone 1 86 - 1 - HB VAL 90 - HB2 ARG 70 lone 1 86 - 1 - HB2 GLU 87 - HB3 ARG 66 lone 1 81 - 1 - HG2 PRO 14 - HB2 ARG 70 lone 1 55 - 1 - HG2 PRO 14 - HB3 ARG 70 lone 1 55 - 1 - HG3 PRO 14 - HB3 ARG 70 lone 1 55 - 1 - HG3 PRO 14 - HB2 ARG 70 lone 1 55 - 1 - HB3 GLU 19 - HB3 ARG 66 lone 1 63 - 1 - HB3 PRO 56 - HB3 ARG 70 lone 1 66 - 1 - HB3 PRO 56 - HB2 ARG 70 lone 1 66 - 1 - HG2 PRO 56 - HB3 ARG 66 lone 1 65 - 1 - HB2 GLU 87 - HB3 ARG 70 lone 0 66 - 1 - HB2 GLU 87 - HB2 ARG 70 lone 0 66 - 1 - HB3 GLU 19 - HB3 ARG 70 lone 0 50 - 1 - HB3 GLU 19 - HB2 ARG 70 lone 0 50 - 1 - HG2 PRO 56 - HB2 ARG 70 lone 0 52 - 1 - HG2 PRO 56 - HB3 ARG 70 lone 0 52 - 1 - Peak 2695 from cnoeabs.peaks (1.70, 1.94, 29.95 ppm; 3.46 A): 6 out of 33 assignments used, quality = 1.00: * HG3 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 2.8=100 HG2 ARG 70 + HB2 ARG 70 OK 80 80 - 100 - 2.9=100 HG2 ARG 70 + HB3 ARG 70 OK 80 80 - 100 - 2.9=100 HG3 ARG 66 + HB2 ARG 70 OK 64 89 - 73 - 2709=9, 1.8/2701=7...(36) HG3 ARG 66 + HB3 ARG 70 OK 64 89 - 73 - 2709=9, 1.8/2701=7...(36) HG2 ARG 70 + HB3 ARG 66 OK 63 95 - 66 - 2866=9, 2703/2.8=6...(29) HB3 LEU 64 - HB3 ARG 66 OK 37 100 - 37 - 2679/3.0=4, 744/4.0=4...(13) HB3 LEU 64 - HB2 ARG 70 OK 26 89 - 30 - 2628/1.8=3, 2844/3.0=2...(11) HB3 LEU 64 - HB3 ARG 70 OK 26 89 - 30 - 2628/1.8=3, 2844/3.0=2...(11) HB2 LEU 29 - HB3 ARG 66 OK 11 81 - 14 - 2703/2.8=1, 1487/2.8=1 HG LEU 29 - HB3 ARG 66 OK 11 81 - 13 - 2703/2.8=1 HB2 LEU 29 - HB3 ARG 70 poor 9 66 - 14 - 307/4.4=2, 1483/4.1=2 HB2 LEU 29 - HB2 ARG 70 poor 9 66 - 14 - 307/4.4=2, 1483/4.1=2 HG2 ARG 23 - HB3 ARG 66 poor 9 71 - 12 - HG LEU 29 - HB3 ARG 70 poor 7 66 - 11 - 1497/4.1=1, 1499/2.9=1 HG LEU 29 - HB2 ARG 70 poor 7 66 - 11 - 1497/4.1=1, 1499/2.9=1 HB2 LEU 43 - HB3 ARG 66 lone 5 60 - 8 - HB3 LYS 85 - HB3 ARG 70 lone 5 52 - 9 - 2844/3.0=1, ~5061=1...(4) HB3 LYS 85 - HB2 ARG 70 lone 5 52 - 9 - 2844/3.0=1, ~5061=1...(4) HB2 ARG 82 - HB3 ARG 66 lone 4 100 - 4 - HB3 LYS 13 - HB3 ARG 66 lone 4 93 - 4 - HB2 LEU 43 - HB2 ARG 70 lone 3 48 - 6 - HB2 LEU 43 - HB3 ARG 70 lone 3 48 - 6 - HB2 ARG 82 - HB2 ARG 70 lone 3 89 - 3 - HB2 ARG 82 - HB3 ARG 70 lone 3 89 - 3 - HB3 LYS 83 - HB2 ARG 70 lone 2 64 - 3 - HB3 LYS 83 - HB3 ARG 70 lone 2 64 - 3 - HB3 LYS 13 - HB2 ARG 70 lone 2 79 - 3 - HB3 LYS 13 - HB3 ARG 70 lone 2 79 - 3 - HB3 LYS 83 - HB3 ARG 66 lone 2 78 - 2 - HB3 LYS 85 - HB3 ARG 66 lone 2 65 - 2 - HG2 ARG 23 - HB2 ARG 70 lone 1 57 - 2 - HG2 ARG 23 - HB3 ARG 70 lone 1 57 - 2 - Peak 2696 from cnoeabs.peaks (3.19, 1.94, 29.95 ppm; 3.71 A): 12 out of 39 assignments used, quality = 1.00: * HD2 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 77 77 - 100 - 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 77 77 - 100 - 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 74 74 - 100 - 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 74 74 - 100 - 3.5=100 HD2 ARG 66 + HB3 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB2 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB2 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 70 + HB3 ARG 66 OK 60 92 - 66 - 3.0/2867=6, 2712/2.8=3...(37) HD2 ARG 70 + HB3 ARG 66 OK 59 89 - 66 - 3.0/2866=6, 2712/2.8=3...(38) HD3 ARG 26 - HB3 ARG 66 OK 39 93 - 42 - 2713/2.8=2, 2705/2.8=2...(18) HD2 ARG 26 - HB3 ARG 66 OK 39 92 - 42 - 2713/2.8=2, 2705/2.8=2...(18) HD3 ARG 71 - HB3 ARG 66 OK 22 97 - 23 - 5.8/306=2, 4.7/5372=2...(6) HD3 ARG 71 - HB3 ARG 70 OK 20 83 - 24 - 5.8/305=4, 4.7/5372=2...(6) HD3 ARG 71 - HB2 ARG 70 OK 20 83 - 24 - 5.8/305=4, 4.7/5372=2...(6) HD2 ARG 27 - HB3 ARG 66 OK 11 83 - 13 - HD3 ARG 27 - HB3 ARG 66 OK 11 83 - 13 - HD3 ARG 26 - HB2 ARG 70 OK 11 79 - 13 - 5833/4.4=1 HD3 ARG 26 - HB3 ARG 70 OK 11 79 - 13 - 5833/4.4=1 HD2 ARG 26 - HB2 ARG 70 OK 10 77 - 14 - 5833/4.4=1 HD2 ARG 26 - HB3 ARG 70 OK 10 77 - 14 - 5833/4.4=1 HD2 ARG 23 - HB3 ARG 66 OK 10 73 - 14 - HD3 ARG 23 - HB3 ARG 66 OK 10 73 - 14 - HD2 ARG 17 - HB3 ARG 66 lone 4 60 - 7 - HD3 ARG 17 - HB3 ARG 66 lone 4 60 - 7 - HD2 ARG 27 - HB3 ARG 70 lone 3 68 - 5 - HD2 ARG 27 - HB2 ARG 70 lone 3 68 - 5 - HD3 ARG 27 - HB3 ARG 70 lone 3 68 - 5 - HD3 ARG 27 - HB2 ARG 70 lone 3 68 - 5 - HD3 ARG 17 - HB2 ARG 70 lone 3 48 - 6 - HD3 ARG 17 - HB3 ARG 70 lone 3 48 - 6 - HD2 ARG 17 - HB2 ARG 70 lone 3 48 - 6 - HD2 ARG 17 - HB3 ARG 70 lone 3 48 - 6 - HD3 ARG 23 - HB2 ARG 70 lone 1 59 - 2 - HD3 ARG 23 - HB3 ARG 70 lone 1 59 - 2 - HD2 ARG 23 - HB2 ARG 70 lone 1 59 - 2 - HD2 ARG 23 - HB3 ARG 70 lone 1 59 - 2 - Peak 2697 from cnoeabs.peaks (3.19, 1.94, 29.95 ppm; 3.71 A): 12 out of 39 assignments used, quality = 1.00: * HD3 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 3.4=100 HD2 ARG 66 + HB3 ARG 66 OK 100 100 - 100 - 3.4=100 HD3 ARG 70 + HB2 ARG 70 OK 74 74 - 100 - 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 74 74 - 100 - 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 70 70 - 100 - 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 70 70 - 100 - 3.5=100 HD3 ARG 66 + HB2 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB2 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB3 ARG 70 OK 65 89 - 74 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 70 + HB3 ARG 66 OK 58 89 - 66 - 3.0/2866=6, 2712/2.8=3...(37) HD2 ARG 70 + HB3 ARG 66 OK 56 85 - 66 - 3.0/2866=6, 2712/2.8=3...(38) HD3 ARG 26 - HB3 ARG 66 OK 40 96 - 42 - 2713/2.8=2, 2705/2.8=2...(18) HD2 ARG 26 - HB3 ARG 66 OK 40 95 - 42 - 2713/2.8=2, 2705/2.8=2...(18) HD3 ARG 71 - HB3 ARG 66 OK 21 95 - 23 - 5.8/306=2, 4.7/5372=2...(6) HD3 ARG 71 - HB2 ARG 70 OK 19 80 - 24 - 5.8/306=4, 4.7/5372=2...(5) HD3 ARG 71 - HB3 ARG 70 OK 19 80 - 24 - 5.8/306=4, 4.7/5372=2...(5) HD2 ARG 27 - HB3 ARG 66 OK 12 87 - 13 - HD3 ARG 27 - HB3 ARG 66 OK 12 87 - 13 - HD2 ARG 23 - HB3 ARG 66 OK 11 78 - 14 - HD3 ARG 23 - HB3 ARG 66 OK 11 78 - 14 - HD2 ARG 26 - HB3 ARG 70 OK 11 80 - 14 - 5833/4.4=1 HD2 ARG 26 - HB2 ARG 70 OK 11 80 - 14 - 5833/4.4=1 HD3 ARG 26 - HB3 ARG 70 OK 11 81 - 13 - 5833/4.4=1 HD3 ARG 26 - HB2 ARG 70 OK 11 81 - 13 - 5833/4.4=1 HD2 ARG 17 - HB3 ARG 66 lone 4 65 - 7 - HD3 ARG 17 - HB3 ARG 66 lone 4 65 - 7 - HD2 ARG 27 - HB3 ARG 70 lone 4 72 - 5 - HD2 ARG 27 - HB2 ARG 70 lone 4 72 - 5 - HD3 ARG 27 - HB3 ARG 70 lone 4 72 - 5 - HD3 ARG 27 - HB2 ARG 70 lone 4 72 - 5 - HD3 ARG 17 - HB2 ARG 70 lone 3 52 - 6 - HD3 ARG 17 - HB3 ARG 70 lone 3 52 - 6 - HD2 ARG 17 - HB2 ARG 70 lone 3 52 - 6 - HD2 ARG 17 - HB3 ARG 70 lone 3 52 - 6 - HD3 ARG 23 - HB2 ARG 70 lone 1 64 - 2 - HD3 ARG 23 - HB3 ARG 70 lone 1 64 - 2 - HD2 ARG 23 - HB2 ARG 70 lone 1 64 - 2 - HD2 ARG 23 - HB3 ARG 70 lone 1 64 - 2 - Peak 2699 from cnoeabs.peaks (3.98, 2.01, 28.91 ppm; 3.62 A): 3 out of 20 assignments used, quality = 0.97: * HA ARG 66 + HG2 ARG 66 OK 90 100 - 90 - 4.1=70, 3.0/5038=18...(15) HA VAL 76 + HB3 GLN 79 OK 44 85 - 51 - 16044/1.8=28, 5852/3.0=9...(12) HA ARG 70 + HG2 ARG 66 OK 40 71 - 56 - 2707/1.8=6, 3.0/2701=6...(24) HA LYS 32 - HG2 ARG 66 OK 17 100 - 16 - 2707/1.8=3, 3.0/3927=2...(6) HA ARG 66 - HB3 GLN 79 OK 15 89 - 17 - 3.0/5038=3, 2678=3...(8) HA VAL 76 - HG2 ARG 66 OK 11 98 - 12 - 2707/1.8=2, 6044/2.8=2 HA ALA 28 - HG2 ARG 66 poor 9 85 - 10 - 2707/1.8=2, 4176/2.8=1 HA GLN 61 - HG2 ARG 66 lone 8 96 - 9 - 740/4.9=2, 2707/1.8=1 HA2 GLY 72 - HG2 ARG 66 lone 7 93 - 8 - ~5842=1, 2707/1.8=1 HA GLN 61 - HB3 GLN 79 lone 5 81 - 6 - 6011/1.8=1 HA ALA 28 - HB3 GLN 79 lone 4 70 - 5 - HA GLU 50 - HG2 ARG 66 lone 3 95 - 4 - HA2 GLY 21 - HG2 ARG 66 lone 3 71 - 4 - HA3 GLY 21 - HG2 ARG 66 lone 3 68 - 4 - HA LYS 32 - HB3 GLN 79 lone 2 89 - 2 - HA ARG 70 - HB3 GLN 79 lone 2 57 - 4 - HA GLU 50 - HB3 GLN 79 lone 2 80 - 2 - HA2 GLY 72 - HB3 GLN 79 lone 2 79 - 2 - HA2 GLY 21 - HB3 GLN 79 lone 1 57 - 2 - HA3 GLY 21 - HB3 GLN 79 lone 1 55 - 2 - Peak 2700 from cnoeabs.peaks (1.88, 2.01, 28.91 ppm; 4.06 A): 3 out of 32 assignments used, quality = 1.00: * HB2 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 2.8=100 HB2 ARG 26 + HG2 ARG 66 OK 56 100 - 57 - 2708/1.8=5, 2686=4...(22) HB3 ARG 26 + HG2 ARG 66 OK 56 100 - 57 - 2708/1.8=5, 2686=4...(22) HB3 ARG 71 - HG2 ARG 66 OK 36 78 - 46 - 3.0/5167=5, 2708/1.8=3...(14) HB2 ARG 71 - HG2 ARG 66 OK 35 76 - 46 - 3.0/5167=5, 2708/1.8=3...(15) HB3 PRO 14 - HG2 ARG 66 OK 30 97 - 31 - 2708/1.8=3, ~2710=2...(16) HB2 MET 11 - HG2 ARG 66 OK 27 98 - 27 - 965=3, ~2710=3...(14) HB ILE 68 - HG2 ARG 66 OK 25 81 - 31 - ~5251=4, 2708/1.8=2...(15) HB2 ARG 66 - HB3 GLN 79 OK 21 89 - 23 - 4.0/5038=3, 2.8/2710=2...(6) HB3 ARG 27 - HG2 ARG 66 OK 13 78 - 17 - 2708/1.8=1 HB2 ARG 27 - HG2 ARG 66 OK 13 76 - 16 - 2708/1.8=1 HB3 PRO 14 - HB3 GLN 79 OK 12 83 - 13 - 1.8/1103=1, 1110/1.8=1 HB3 ARG 23 - HG2 ARG 66 OK 10 63 - 16 - 3.0/2703=1 HB2 ARG 23 - HG2 ARG 66 poor 10 60 - 16 - 3.0/2703=1 HB3 PRO 34 - HG2 ARG 66 lone 6 100 - 6 - HG12 ILE 40 - HG2 ARG 66 lone 5 60 - 9 - 741/4.9=1 HB2 LYS 39 - HG2 ARG 66 lone 3 81 - 4 - HB2 MET 11 - HB3 GLN 79 lone 2 85 - 3 - HB2 ARG 26 - HB3 GLN 79 lone 2 88 - 3 - HB3 ARG 26 - HB3 GLN 79 lone 2 88 - 3 - HB2 GLN 91 - HG2 ARG 66 lone 2 81 - 3 - HB ILE 68 - HB3 GLN 79 lone 2 66 - 3 - HB3 PRO 34 - HB3 GLN 79 lone 1 89 - 2 - HB2 LYS 39 - HB3 GLN 79 lone 1 66 - 2 - HB3 ARG 71 - HB3 GLN 79 lone 1 64 - 2 - HB2 ARG 71 - HB3 GLN 79 lone 1 61 - 2 - HB3 ARG 27 - HB3 GLN 79 lone 1 64 - 2 - HB2 ARG 27 - HB3 GLN 79 lone 1 61 - 2 - HG12 ILE 40 - HB3 GLN 79 lone 1 48 - 2 - HB2 GLN 91 - HB3 GLN 79 lone 1 66 - 1 - HB3 ARG 23 - HB3 GLN 79 lone 1 50 - 1 - HB2 ARG 23 - HB3 GLN 79 lone 1 48 - 1 - Peak 2701 from cnoeabs.peaks (1.94, 2.01, 28.91 ppm; 2.40 A): 4 out of 16 assignments used, quality = 0.95: * HB3 ARG 66 + HG2 ARG 66 OK 70 100 - 70 - 2.8=62, 4.0/5038=5...(8) HB2 GLN 79 + HB3 GLN 79 OK 57 57 - 100 - 1.8=100 HB2 ARG 70 + HG2 ARG 66 OK 36 95 - 39 - 2694=3, 1.8/2694=3...(13) HB3 ARG 70 + HG2 ARG 66 OK 36 95 - 39 - 2694=3, 1.8/2694=3...(13) HG13 ILE 68 - HG2 ARG 66 poor 9 87 - 10 - ~5251=1, 2709/1.8=1 HB2 MET 31 - HG2 ARG 66 lone 7 99 - 7 - HB3 ARG 66 - HB3 GLN 79 lone 7 89 - 7 - HB2 GLN 79 - HG2 ARG 66 lone 4 71 - 5 - HB VAL 41 - HG2 ARG 66 lone 3 96 - 3 - HG LEU 57 - HG2 ARG 66 lone 2 95 - 2 - HB3 ARG 70 - HB3 GLN 79 lone 2 80 - 2 - HB2 ARG 70 - HB3 GLN 79 lone 2 80 - 2 - HB2 MET 31 - HB3 GLN 79 lone 1 87 - 1 - HG LEU 57 - HB3 GLN 79 lone 1 80 - 1 - HG13 ILE 68 - HB3 GLN 79 lone 1 72 - 1 - HB VAL 41 - HB3 GLN 79 lone 0 81 - 0 - Peak 2702 from cnoeabs.peaks (2.01, 2.01, 28.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 66 + HG2 ARG 66 OK 100 100 - 100 HB3 GLN 79 + HB3 GLN 79 OK 75 75 - 100 Peak 2703 from cnoeabs.peaks (1.70, 2.01, 28.91 ppm; 3.40 A): 2 out of 22 assignments used, quality = 1.00: * HG3 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 1.8=100 HG2 ARG 70 + HG2 ARG 66 OK 56 95 - 60 - 2.9/2701=5, 2.9/2701=5...(28) HB3 LEU 64 - HG2 ARG 66 OK 27 100 - 27 - 2679/4.1=3, 744/4.9=3...(12) HG3 ARG 66 - HB3 GLN 79 OK 14 89 - 16 - 2710=3, 4.9/5038=2...(5) HB2 LEU 29 - HG2 ARG 66 OK 10 81 - 13 - 1487/1.8=1 HG LEU 29 - HG2 ARG 66 poor 10 81 - 12 - 1499/1.8=1 HG2 ARG 23 - HG2 ARG 66 poor 7 71 - 10 - HB2 ARG 82 - HB3 GLN 79 lone 7 89 - 8 - 3235/3.0=2 HB2 LEU 43 - HG2 ARG 66 lone 5 60 - 8 - HB3 LEU 64 - HB3 GLN 79 lone 5 89 - 5 - HB3 LYS 13 - HG2 ARG 66 lone 3 93 - 3 - HG2 ARG 70 - HB3 GLN 79 lone 3 80 - 4 - HB2 ARG 82 - HG2 ARG 66 lone 3 100 - 3 - HB3 LYS 83 - HB3 GLN 79 lone 2 64 - 3 - HB3 LYS 13 - HB3 GLN 79 lone 2 79 - 2 - HB3 LYS 85 - HB3 GLN 79 lone 1 52 - 3 - HB2 LEU 43 - HB3 GLN 79 lone 1 48 - 3 - HB3 LYS 83 - HG2 ARG 66 lone 1 78 - 2 - HB3 LYS 85 - HG2 ARG 66 lone 1 65 - 2 - HB2 LEU 29 - HB3 GLN 79 lone 1 66 - 1 - HG LEU 29 - HB3 GLN 79 lone 1 66 - 1 - HG2 ARG 23 - HB3 GLN 79 lone 1 57 - 1 - Peak 2704 from cnoeabs.peaks (3.19, 2.01, 28.91 ppm; 4.16 A): 4 out of 26 assignments used, quality = 1.00: * HD2 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG2 ARG 66 OK 67 92 - 73 - 3.0/2703=8, 3.5/2701=6...(48) HD2 ARG 70 + HG2 ARG 66 OK 65 89 - 74 - 3.0/2703=8, 3.5/2701=6...(48) HD2 ARG 26 - HG2 ARG 66 OK 42 92 - 46 - 2713/1.8=3, 3.5/2700=3...(17) HD3 ARG 26 - HG2 ARG 66 OK 42 93 - 46 - 2713/1.8=3, 3.5/2700=3...(17) HD3 ARG 71 - HG2 ARG 66 OK 24 97 - 25 - 4.7/5167=4, 3.5/2700=2...(5) HD2 ARG 66 - HB3 GLN 79 OK 16 89 - 17 - 3.0/2710=2, 6.2/5038=2...(5) HD3 ARG 66 - HB3 GLN 79 OK 16 89 - 17 - 3.0/2710=2, 6.2/5038=2...(5) HD2 ARG 27 - HG2 ARG 66 OK 12 83 - 14 - 2713/1.8=1 HD3 ARG 27 - HG2 ARG 66 OK 12 83 - 14 - 2713/1.8=1 HD3 ARG 23 - HG2 ARG 66 OK 11 73 - 15 - 2.9/2703=1 HD2 ARG 23 - HG2 ARG 66 OK 11 73 - 15 - 2.9/2703=1 HD3 ARG 17 - HG2 ARG 66 lone 4 60 - 7 - HD2 ARG 17 - HG2 ARG 66 lone 4 60 - 7 - HD3 ARG 70 - HB3 GLN 79 lone 4 77 - 5 - HD2 ARG 70 - HB3 GLN 79 lone 4 74 - 5 - HD3 ARG 26 - HB3 GLN 79 lone 2 79 - 2 - HD2 ARG 26 - HB3 GLN 79 lone 2 77 - 2 - HD3 ARG 71 - HB3 GLN 79 lone 1 83 - 2 - HD2 ARG 27 - HB3 GLN 79 lone 1 68 - 1 - HD3 ARG 27 - HB3 GLN 79 lone 1 68 - 1 - HD2 ARG 23 - HB3 GLN 79 lone 1 59 - 1 - HD3 ARG 23 - HB3 GLN 79 lone 1 59 - 1 - HD3 ARG 17 - HB3 GLN 79 lone 1 48 - 1 - HD2 ARG 17 - HB3 GLN 79 lone 1 48 - 1 - Peak 2705 from cnoeabs.peaks (3.19, 2.01, 28.91 ppm; 4.16 A): 4 out of 26 assignments used, quality = 1.00: * HD3 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 + HG2 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG2 ARG 66 OK 65 89 - 73 - 3.0/2703=8, 3.5/2701=6...(48) HD2 ARG 70 + HG2 ARG 66 OK 62 85 - 74 - 3.0/2703=8, 3.5/2701=6...(48) HD2 ARG 26 - HG2 ARG 66 OK 43 95 - 46 - 2713/1.8=3, 3.5/2700=3...(17) HD3 ARG 26 - HG2 ARG 66 OK 43 96 - 46 - 2713/1.8=3, 3.5/2700=3...(17) HD3 ARG 71 - HG2 ARG 66 OK 23 95 - 25 - 4.7/5167=4, 3.5/2700=2...(5) HD3 ARG 66 - HB3 GLN 79 OK 16 89 - 17 - 3.0/2710=2, 6.2/5038=2...(5) HD2 ARG 66 - HB3 GLN 79 OK 15 89 - 17 - 3.0/2710=2, 6.2/5038=2...(5) HD2 ARG 27 - HG2 ARG 66 OK 13 87 - 14 - 2713/1.8=1 HD3 ARG 27 - HG2 ARG 66 OK 13 87 - 14 - 2713/1.8=1 HD3 ARG 23 - HG2 ARG 66 OK 12 78 - 15 - 2.9/2703=1 HD2 ARG 23 - HG2 ARG 66 OK 12 78 - 15 - 2.9/2703=1 HD3 ARG 17 - HG2 ARG 66 lone 5 65 - 7 - HD2 ARG 17 - HG2 ARG 66 lone 5 65 - 7 - HD3 ARG 70 - HB3 GLN 79 lone 4 74 - 5 - HD2 ARG 70 - HB3 GLN 79 lone 4 70 - 5 - HD3 ARG 26 - HB3 GLN 79 lone 2 81 - 2 - HD2 ARG 26 - HB3 GLN 79 lone 2 80 - 2 - HD3 ARG 71 - HB3 GLN 79 lone 1 80 - 2 - HD3 ARG 23 - HB3 GLN 79 lone 1 64 - 1 - HD2 ARG 23 - HB3 GLN 79 lone 1 64 - 1 - HD2 ARG 27 - HB3 GLN 79 lone 1 72 - 1 - HD3 ARG 27 - HB3 GLN 79 lone 1 72 - 1 - HD3 ARG 17 - HB3 GLN 79 lone 1 52 - 1 - HD2 ARG 17 - HB3 GLN 79 lone 1 52 - 1 - Peak 2707 from cnoeabs.peaks (3.98, 1.70, 28.91 ppm; 4.02 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 66 + HG3 ARG 66 OK 99 100 - 99 - 4.1=96, 3.0/5039=26...(18) HA ARG 70 + HG3 ARG 66 OK 46 71 - 65 - 2844=8, 3.0/2709=7...(27) HA LYS 32 - HG3 ARG 66 OK 21 100 - 21 - 3.0/5802=3, 2699/1.8=3...(7) HA VAL 76 - HG3 ARG 66 OK 14 98 - 14 - 6044/2.8=2, 2699/1.8=2...(4) HA ALA 28 - HG3 ARG 66 OK 12 85 - 14 - 3.6/5802=2, 4176/2.8=1...(4) HA GLN 61 - HG3 ARG 66 poor 10 96 - 10 - 740/4.9=2, 2699/1.8=1 HA2 GLY 72 - HG3 ARG 66 lone 9 93 - 10 - ~5842=2, 2699/1.8=1 HA GLU 50 - HG3 ARG 66 lone 4 95 - 4 - HA2 GLY 21 - HG3 ARG 66 lone 4 71 - 6 - HA3 GLY 21 - HG3 ARG 66 lone 4 68 - 6 - Peak 2708 from cnoeabs.peaks (1.88, 1.70, 28.91 ppm; 3.73 A): 3 out of 16 assignments used, quality = 1.00: * HB2 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 2.8=100 HB2 ARG 26 + HG3 ARG 66 OK 48 100 - 48 - 2700/1.8=4, 3.0/5395=3...(17) HB3 ARG 26 + HG3 ARG 66 OK 48 100 - 48 - 2700/1.8=4, 3.0/5395=3...(17) HB3 ARG 71 - HG3 ARG 66 OK 31 78 - 40 - 4.0/307=4, 3.0/5395=4...(13) HB2 ARG 71 - HG3 ARG 66 OK 30 76 - 40 - 4.0/307=4, 3.0/5395=4...(13) HB3 PRO 14 - HG3 ARG 66 OK 28 97 - 30 - 2.3/2710=3, 2.3/2710=3...(14) HB ILE 68 - HG3 ARG 66 OK 21 81 - 26 - 3.2/5251=4, 2.9/2709=2...(10) HB2 MET 11 - HG3 ARG 66 OK 21 98 - 21 - 1.8/2710=3, 965/1.8=3...(10) HB3 ARG 27 - HG3 ARG 66 OK 11 78 - 14 - HB2 ARG 27 - HG3 ARG 66 OK 11 76 - 14 - HB3 ARG 23 - HG3 ARG 66 poor 9 63 - 14 - HB2 ARG 23 - HG3 ARG 66 poor 8 60 - 14 - HB3 PRO 34 - HG3 ARG 66 lone 5 100 - 5 - HG12 ILE 40 - HG3 ARG 66 lone 5 60 - 8 - 5617/5966=2 HB2 LYS 39 - HG3 ARG 66 lone 3 81 - 4 - HB2 GLN 91 - HG3 ARG 66 lone 1 81 - 1 - Peak 2709 from cnoeabs.peaks (1.94, 1.70, 28.91 ppm; 3.78 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 2.8=100 HB2 ARG 70 + HG3 ARG 66 OK 73 95 - 78 - 2701/1.8=8, 3.0/2844=6...(54) HB3 ARG 70 + HG3 ARG 66 OK 73 95 - 78 - 2701/1.8=8, 3.0/2844=6...(54) HG13 ILE 68 - HG3 ARG 66 OK 26 87 - 30 - 2.1/5251=5, ~5252=3...(13) HB2 MET 31 - HG3 ARG 66 OK 20 99 - 20 - 4.7/5802=2, 2677/4.1=2...(13) HB2 GLN 79 - HG3 ARG 66 OK 11 71 - 16 - 1.8/2710=3, 6011/4.1=1 HB VAL 41 - HG3 ARG 66 lone 9 96 - 9 - HG LEU 57 - HG3 ARG 66 lone 7 95 - 7 - Peak 2710 from cnoeabs.peaks (2.01, 1.70, 28.91 ppm; 3.24 A): 1 out of 14 assignments used, quality = 1.00: * HG2 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 1.8=100 HB3 MET 11 - HG3 ARG 66 OK 17 100 - 17 - 969/2.8=3, ~965=2...(6) HG3 PRO 14 - HG3 ARG 66 OK 15 68 - 22 - 2.3/2708=2, 2.3/5907=1...(5) HG2 PRO 14 - HG3 ARG 66 OK 15 68 - 22 - 2.3/2708=2, 2.3/5907=1...(5) HB3 GLN 79 - HG3 ARG 66 OK 13 90 - 14 - 2703=2, 5038/4.9=1 HB VAL 90 - HG3 ARG 66 OK 11 99 - 11 - QE MET 31 - HG3 ARG 66 poor 9 81 - 12 - 5079/4.1=1 HD2 ARG 69 - HG3 ARG 66 poor 9 83 - 10 - 2678/4.1=2, 4787/5966=2 HD3 ARG 69 - HG3 ARG 66 poor 9 83 - 10 - 2678/4.1=2, 4787/5966=2 HG LEU 43 - HG3 ARG 66 lone 7 78 - 8 - HB3 PRO 56 - HG3 ARG 66 lone 1 81 - 1 - HB2 GLU 87 - HG3 ARG 66 lone 1 81 - 1 - HB3 GLU 19 - HG3 ARG 66 lone 1 63 - 1 - HG2 PRO 56 - HG3 ARG 66 lone 1 65 - 1 - Peak 2711 from cnoeabs.peaks (1.70, 1.70, 28.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 66 + HG3 ARG 66 OK 100 100 - 100 Peak 2712 from cnoeabs.peaks (3.19, 1.70, 28.91 ppm; 4.07 A): 4 out of 13 assignments used, quality = 1.00: * HD2 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG3 ARG 66 OK 66 92 - 72 - 3.5/2709=7, 3.5/2709=7...(46) HD2 ARG 70 + HG3 ARG 66 OK 64 89 - 72 - 3.5/2709=7, 3.5/2709=7...(46) HD3 ARG 26 - HG3 ARG 66 OK 40 93 - 44 - 3.5/2708=4, 3.5/2708=4...(15) HD2 ARG 26 - HG3 ARG 66 OK 40 92 - 44 - 3.5/2708=4, 3.5/2708=4...(15) HD3 ARG 71 - HG3 ARG 66 OK 25 97 - 26 - 4.7/5165=3, 5.8/307=3...(6) HD3 ARG 27 - HG3 ARG 66 OK 12 83 - 14 - HD2 ARG 27 - HG3 ARG 66 OK 12 83 - 14 - HD2 ARG 23 - HG3 ARG 66 OK 11 73 - 15 - HD3 ARG 23 - HG3 ARG 66 OK 11 73 - 15 - HD2 ARG 17 - HG3 ARG 66 lone 4 60 - 7 - HD3 ARG 17 - HG3 ARG 66 lone 4 60 - 7 - Peak 2713 from cnoeabs.peaks (3.19, 1.70, 28.91 ppm; 4.07 A): 4 out of 13 assignments used, quality = 1.00: * HD3 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 + HG3 ARG 66 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG3 ARG 66 OK 63 89 - 72 - 3.5/2709=7, 3.5/2709=7...(46) HD2 ARG 70 + HG3 ARG 66 OK 61 85 - 72 - 3.5/2709=7, 3.5/2709=7...(46) HD2 ARG 26 - HG3 ARG 66 OK 42 95 - 44 - 3.5/2708=4, 3.5/2708=4...(15) HD3 ARG 26 - HG3 ARG 66 OK 42 96 - 44 - 3.5/2708=4, 3.5/2708=4...(15) HD3 ARG 71 - HG3 ARG 66 OK 24 95 - 26 - 4.7/5165=3, 5.8/307=3...(6) HD3 ARG 27 - HG3 ARG 66 OK 12 87 - 14 - HD2 ARG 27 - HG3 ARG 66 OK 12 87 - 14 - HD2 ARG 23 - HG3 ARG 66 OK 12 78 - 15 - HD3 ARG 23 - HG3 ARG 66 OK 12 78 - 15 - HD2 ARG 17 - HG3 ARG 66 lone 5 65 - 7 - HD3 ARG 17 - HG3 ARG 66 lone 5 65 - 7 - Peak 2715 from cnoeabs.peaks (3.98, 3.19, 43.48 ppm; 5.26 A): 8 out of 130 assignments used, quality = 1.00: * HA ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 5.2=100 HA ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 5.2=100 HA ARG 66 + HD3 ARG 70 OK 76 92 - 83 - 2679/3.0=11, 2677/3.5=9...(47) HA ARG 66 + HD2 ARG 70 OK 74 89 - 84 - 2679/3.0=11, 2677/3.5=9...(48) HA ARG 70 + HD3 ARG 70 OK 59 60 - 99 - 5.3=98, 2865/3.0=12...(23) HA ARG 70 + HD2 ARG 66 OK 57 71 - 80 - 2707/3.0=9, 2699/3.0=7...(46) HA ARG 70 + HD3 ARG 66 OK 56 71 - 80 - 2707/3.0=9, 2699/3.0=7...(46) HA ARG 70 + HD2 ARG 70 OK 56 57 - 99 - 5.3=98, 2865/3.0=12...(23) HA ARG 66 - HD3 ARG 26 OK 29 53 - 54 - 2676/3.5=5, 2676/3.5=5...(20) HA LYS 32 - HD2 ARG 66 OK 29 100 - 28 - 2707/3.0=4, ~5802=3...(11) HA LYS 32 - HD3 ARG 66 OK 29 100 - 28 - 2707/3.0=4, ~5802=3...(11) HA ARG 66 - HD2 ARG 26 OK 28 52 - 55 - 2676/3.5=5, 2676/3.5=5...(20) HA LYS 32 - HD3 ARG 70 OK 25 92 - 28 - 1554/6.3=3, ~2864=3...(9) HA LYS 32 - HD2 ARG 70 OK 24 89 - 28 - 1554/6.3=3, ~2864=3...(9) HA VAL 76 - HD2 ARG 66 OK 20 98 - 20 - 6044/3.4=3, 2707/3.0=3...(5) HA VAL 76 - HD3 ARG 66 OK 20 98 - 20 - 6044/3.4=3, 2707/3.0=3...(5) HA ARG 66 - HD3 ARG 71 OK 16 56 - 29 - 304/5.8=4, 2676/3.5=3...(11) HA VAL 76 - HD3 ARG 70 OK 15 88 - 17 - 3156/6.3=3, 6044/3.5=3...(4) HA2 GLY 72 - HD3 ARG 71 OK 15 48 - 31 - 6034/5.8=9, ~5841=6...(8) HA VAL 76 - HD2 ARG 70 OK 14 84 - 17 - 3156/6.3=3, 6044/3.5=3...(4) HA ALA 28 - HD2 ARG 66 OK 14 85 - 17 - 2707/3.0=2, 4176/3.4=2...(7) HA ALA 28 - HD3 ARG 66 OK 14 85 - 17 - 2707/3.0=2, 4176/3.4=2...(7) HA2 GLY 72 - HD2 ARG 66 OK 13 93 - 14 - ~5842=3, 2707/3.0=2...(4) HA2 GLY 72 - HD3 ARG 66 OK 13 93 - 14 - ~5842=3, 2707/3.0=2...(4) HA GLN 61 - HD2 ARG 66 OK 12 96 - 12 - 740/6.2=3, 2707/3.0=2...(5) HA GLN 61 - HD3 ARG 66 OK 12 95 - 12 - 740/6.2=3, 2707/3.0=2...(5) HA ALA 28 - HD3 ARG 26 OK 10 39 - 26 - ~4837=5, ~4180=3...(13) HA2 GLY 72 - HD3 ARG 70 poor 10 82 - 12 - ~5842=5, ~5840=3 HA ALA 28 - HD2 ARG 26 poor 10 38 - 26 - ~4837=5, ~4180=3...(12) HA LYS 32 - HD3 ARG 71 poor 10 56 - 17 - 1561/3.0=2, 304/5.8=1...(4) HA ARG 70 - HD3 ARG 71 poor 10 33 - 29 - 3.6/5833=6, 4.7/2903=4...(13) HA2 GLY 72 - HD2 ARG 70 poor 9 78 - 12 - ~5842=5, ~5840=3 HA ARG 66 - HD3 ARG 27 poor 8 45 - 18 - 2681=1, 2681/1.8=1 HA ARG 66 - HD2 ARG 27 poor 8 45 - 18 - 2681=1, 2681/1.8=1 HA ARG 66 - HD3 ARG 23 poor 7 38 - 19 - 2679/2.9=1, 2681=1, 2681/1.8=1 HA ARG 66 - HD2 ARG 23 poor 7 38 - 19 - 2679/2.9=1, 2681=1, 2681/1.8=1 HA ALA 28 - HD3 ARG 27 poor 7 33 - 21 - ~73=3, 3.0/5528=3...(9) HA ALA 28 - HD2 ARG 27 poor 7 33 - 21 - ~73=3, 3.0/5528=3...(9) HA2 GLY 21 - HD2 ARG 66 lone 7 71 - 9 - HA2 GLY 21 - HD3 ARG 66 lone 7 71 - 9 - HA3 GLY 21 - HD2 ARG 66 lone 6 68 - 9 - HA3 GLY 21 - HD3 ARG 66 lone 6 68 - 9 - HA ARG 70 - HD3 ARG 26 poor 5 31 - 18 - 3.6/5833=3, 4.7/2903=2...(4) HA ARG 70 - HD2 ARG 26 poor 5 30 - 18 - 3.6/5833=3, 4.7/2903=2...(4) HA GLU 50 - HD2 ARG 66 lone 5 95 - 5 - 740/6.2=1 HA GLU 50 - HD3 ARG 66 lone 5 94 - 5 - 740/6.2=1 HA ALA 28 - HD3 ARG 71 poor 5 42 - 12 - ~4180=1, ~73=1, ~72=1 HA ALA 28 - HD3 ARG 70 lone 5 73 - 7 - 3761/6.3=1 HA LYS 32 - HD3 ARG 26 lone 5 53 - 9 - HA ALA 28 - HD2 ARG 70 lone 5 69 - 7 - 3761/6.3=1 HA LYS 32 - HD2 ARG 26 lone 5 52 - 9 - HA2 GLY 72 - HD3 ARG 26 lone 4 45 - 10 - ~5841=2, ~5840=2, ~314=1 HA2 GLY 72 - HD2 ARG 26 lone 4 44 - 10 - ~5841=2, ~5840=2, ~314=1 HA VAL 76 - HD3 ARG 71 lone 3 53 - 7 - 5853/3.5=1, 5853/3.5=1 HA ARG 66 - HD2 ARG 17 lone 3 30 - 10 - HA ARG 66 - HD3 ARG 17 lone 3 30 - 10 - HA GLN 61 - HD3 ARG 70 lone 3 84 - 3 - HA2 GLY 21 - HD3 ARG 26 lone 3 31 - 9 - HA2 GLY 21 - HD2 ARG 26 lone 3 30 - 9 - HA GLN 61 - HD2 ARG 70 lone 3 81 - 3 - HA3 GLY 21 - HD3 ARG 26 lone 3 30 - 9 - HA3 GLY 21 - HD2 ARG 26 lone 3 29 - 9 - HA GLU 50 - HD3 ARG 70 lone 2 83 - 3 - HA GLU 50 - HD2 ARG 70 lone 2 80 - 3 - HA2 GLY 21 - HD3 ARG 71 lone 2 33 - 7 - HA LYS 32 - HD2 ARG 27 lone 2 45 - 5 - HA LYS 32 - HD3 ARG 27 lone 2 45 - 5 - HA GLN 61 - HD3 ARG 23 lone 2 34 - 6 - 2527/2.9=1, ~712=1 HA GLN 61 - HD2 ARG 23 lone 2 34 - 6 - 2527/2.9=1, ~712=1 HA3 GLY 21 - HD3 ARG 71 lone 2 32 - 7 - HA ALA 28 - HD2 ARG 23 lone 2 28 - 8 - ~5321=2, 3.0/5528=1 HA ALA 28 - HD3 ARG 23 lone 2 28 - 8 - ~5321=2, 3.0/5528=1 HA LYS 32 - HD2 ARG 17 lone 2 30 - 7 - HA LYS 32 - HD3 ARG 17 lone 2 30 - 7 - HA ARG 70 - HD2 ARG 27 lone 2 26 - 8 - 3.6/5833=1 HA ARG 70 - HD3 ARG 27 lone 2 26 - 8 - 3.6/5833=1 HA VAL 76 - HD2 ARG 27 lone 2 42 - 5 - HA VAL 76 - HD3 ARG 27 lone 2 42 - 5 - HA VAL 76 - HD3 ARG 26 lone 2 50 - 4 - HA2 GLY 21 - HD3 ARG 27 lone 2 26 - 8 - HA2 GLY 21 - HD2 ARG 27 lone 2 26 - 8 - HA VAL 76 - HD2 ARG 26 lone 2 48 - 4 - HA3 GLY 21 - HD3 ARG 27 lone 2 24 - 8 - HA3 GLY 21 - HD2 ARG 27 lone 2 24 - 8 - HA2 GLY 21 - HD3 ARG 70 lone 2 60 - 3 - HA3 GLY 21 - HD3 ARG 70 lone 2 57 - 3 - HA2 GLY 21 - HD2 ARG 70 lone 2 57 - 3 - HA2 GLY 21 - HD2 ARG 17 lone 2 17 - 9 - ~5286=1 HA2 GLY 21 - HD3 ARG 17 lone 2 17 - 9 - ~5286=1 HA GLU 50 - HD3 ARG 26 lone 2 46 - 3 - HA3 GLY 21 - HD2 ARG 70 lone 2 54 - 3 - HA GLU 50 - HD2 ARG 26 lone 2 45 - 3 - HA GLN 61 - HD2 ARG 27 lone 1 40 - 4 - HA GLN 61 - HD3 ARG 27 lone 1 40 - 4 - HA3 GLY 21 - HD3 ARG 17 lone 2 16 - 9 - ~5286=1 HA3 GLY 21 - HD2 ARG 17 lone 2 16 - 9 - ~5286=1 HA GLN 61 - HD3 ARG 26 lone 1 47 - 3 - HA GLN 61 - HD3 ARG 71 lone 1 50 - 3 - HA GLN 61 - HD2 ARG 26 lone 1 46 - 3 - HA ALA 28 - HD2 ARG 17 lone 1 21 - 6 - HA ALA 28 - HD3 ARG 17 lone 1 21 - 6 - HA ARG 70 - HD3 ARG 17 lone 1 17 - 8 - 2845/3.0=1, 2845/3.0=1 HA ARG 70 - HD2 ARG 17 lone 1 17 - 8 - 2845/3.0=1, 2845/3.0=1 HA VAL 76 - HD2 ARG 23 lone 1 36 - 4 - HA VAL 76 - HD3 ARG 23 lone 1 36 - 4 - HA GLU 50 - HD3 ARG 71 lone 1 49 - 3 - HA2 GLY 72 - HD2 ARG 27 lone 1 38 - 3 - HA2 GLY 72 - HD3 ARG 27 lone 1 38 - 3 - HA2 GLY 72 - HD3 ARG 23 lone 1 32 - 4 - HA2 GLY 72 - HD2 ARG 23 lone 1 32 - 4 - HA LYS 32 - HD2 ARG 23 lone 1 38 - 3 - HA LYS 32 - HD3 ARG 23 lone 1 38 - 3 - HA2 GLY 21 - HD3 ARG 23 lone 1 22 - 5 - HA2 GLY 21 - HD2 ARG 23 lone 1 22 - 5 - HA3 GLY 21 - HD2 ARG 23 lone 1 21 - 5 - HA3 GLY 21 - HD3 ARG 23 lone 1 21 - 5 - HA GLN 61 - HD3 ARG 17 lone 1 26 - 4 - 5758/5.6=2 HA GLN 61 - HD2 ARG 17 lone 1 26 - 4 - 5758/5.6=2 HA GLU 50 - HD2 ARG 27 lone 1 39 - 2 - HA GLU 50 - HD3 ARG 27 lone 1 39 - 2 - HA ARG 70 - HD3 ARG 23 lone 1 22 - 4 - HA ARG 70 - HD2 ARG 23 lone 1 22 - 4 - HA2 GLY 72 - HD3 ARG 17 lone 1 25 - 3 - HA2 GLY 72 - HD2 ARG 17 lone 1 25 - 3 - HA GLU 50 - HD2 ARG 23 lone 1 33 - 2 - HA GLU 50 - HD3 ARG 23 lone 1 33 - 2 - HA VAL 76 - HD3 ARG 17 lone 1 28 - 3 - HA VAL 76 - HD2 ARG 17 lone 1 28 - 3 - HA GLU 50 - HD2 ARG 17 lone 1 26 - 3 - HA GLU 50 - HD3 ARG 17 lone 1 26 - 3 - Peak 2716 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 3 out of 208 assignments used, quality = 0.96: * HB2 ARG 66 + HD2 ARG 66 OK 72 100 - 72 - 3.4=62, ~2701=4, ~2707=3...(15) HB2 ARG 66 + HD3 ARG 66 OK 72 100 - 72 - 3.4=62, ~2701=4, ~2707=3...(15) HB2 ARG 66 + HD3 ARG 70 OK 45 92 - 49 - 2692/3.5=2, 2692/3.5=2...(25) HB2 ARG 66 - HD2 ARG 70 OK 43 89 - 49 - 2692/3.5=2, 2692/3.5=2...(23) HB2 ARG 26 - HD3 ARG 26 OK 38 52 - 73 - 3.5=61, 3.9/532=2...(7) HB3 ARG 26 - HD3 ARG 26 OK 38 52 - 73 - 3.5=61, 3.9/532=2...(7) HB2 ARG 26 - HD2 ARG 26 OK 37 51 - 73 - 3.5=61, 3.9/532=2...(7) HB3 ARG 26 - HD2 ARG 26 OK 37 51 - 73 - 3.5=61, 3.9/532=2...(7) HB2 ARG 26 - HD2 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 26 - HD3 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 71 - HD3 ARG 71 OK 26 37 - 70 - 3.5=58, 2917/3.0=2...(12) HB2 ARG 71 - HD3 ARG 71 OK 25 36 - 70 - 3.5=58, 2917/3.0=2...(12) HB3 ARG 27 - HD2 ARG 27 OK 21 29 - 73 - 3.5=57, 3.0/1420=2...(11) HB3 ARG 27 - HD3 ARG 27 OK 21 29 - 73 - 3.5=57, 3.0/1420=2...(11) HB3 ARG 71 - HD2 ARG 66 OK 21 78 - 27 - 2.8/2935=2, 2708/3.0=1...(8) HB3 ARG 71 - HD3 ARG 66 OK 21 78 - 27 - 2.8/2935=2, 2708/3.0=1...(7) HB2 ARG 27 - HD3 ARG 27 OK 20 28 - 73 - 3.5=57, 3.0/1421=2...(11) HB2 ARG 27 - HD2 ARG 27 OK 20 28 - 73 - 3.5=57, 3.0/1421=2...(11) HB2 ARG 71 - HD2 ARG 66 OK 20 76 - 27 - 2.8/2935=2, 2708/3.0=1...(8) HB2 ARG 71 - HD3 ARG 66 OK 20 76 - 27 - 2.8/2935=2, 2708/3.0=1...(7) HB3 ARG 23 - HD2 ARG 23 OK 14 19 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB3 ARG 23 - HD3 ARG 23 OK 14 19 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB2 ARG 26 - HD3 ARG 71 OK 14 56 - 25 - ~2929=2, 1379/3.0=1, 3.0/1397=1 HB3 ARG 26 - HD3 ARG 71 OK 14 55 - 25 - ~2929=2, 1379/3.0=1, 3.0/1397=1 HB3 PRO 14 - HD2 ARG 66 OK 13 97 - 14 - 2708/3.0=1 HB3 PRO 14 - HD3 ARG 66 OK 13 96 - 14 - 2708/3.0=1 HB2 ARG 23 - HD3 ARG 23 OK 13 18 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB2 ARG 23 - HD2 ARG 23 OK 13 18 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB3 ARG 71 - HD3 ARG 70 OK 13 66 - 19 - 2.8/2935=2, 4.0/5833=1...(5) HB3 ARG 71 - HD2 ARG 70 OK 12 63 - 20 - 2.8/2935=2, 4.0/5833=1...(5) HB2 ARG 71 - HD3 ARG 70 OK 12 64 - 19 - 2.8/2935=2, 4.0/5833=1...(5) HB3 ARG 71 - HD3 ARG 26 OK 12 35 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 71 - HD2 ARG 70 OK 12 61 - 20 - 2.8/2935=2, 4.0/5833=1...(5) HB3 ARG 71 - HD2 ARG 26 OK 12 34 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 71 - HD3 ARG 26 OK 12 34 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 66 - HD2 ARG 26 OK 12 52 - 23 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 66 - HD3 ARG 26 OK 12 53 - 22 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD2 ARG 26 OK 12 33 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 MET 11 - HD2 ARG 66 OK 10 98 - 10 - 965/3.0=2 HB2 MET 11 - HD3 ARG 66 OK 10 98 - 10 - 965/3.0=2 HB ILE 68 - HD2 ARG 66 poor 10 81 - 12 - ~5251=1 HB ILE 68 - HD3 ARG 66 poor 10 80 - 12 - ~5251=1 HB3 ARG 27 - HD3 ARG 26 poor 8 35 - 24 - 1392/3.0=1, 4.1/5382=1 HB3 ARG 27 - HD2 ARG 26 poor 8 34 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 27 - HD3 ARG 26 poor 8 34 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 27 - HD2 ARG 26 poor 8 33 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 26 - HD2 ARG 27 poor 7 44 - 17 - 4.6/5382=1 HB2 ARG 26 - HD3 ARG 27 poor 7 44 - 17 - 4.6/5382=1 HB3 ARG 26 - HD3 ARG 27 poor 7 44 - 17 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 7 44 - 17 - 4.6/5382=1 HB2 ARG 26 - HD3 ARG 70 lone 7 91 - 7 - HB3 ARG 26 - HD3 ARG 70 lone 7 91 - 7 - HB3 ARG 27 - HD2 ARG 66 lone 7 78 - 8 - HB2 ARG 26 - HD2 ARG 70 lone 7 88 - 7 - HB3 ARG 26 - HD2 ARG 70 lone 7 87 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 7 78 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 6 76 - 8 - HB2 ARG 27 - HD3 ARG 66 lone 6 76 - 8 - HB3 ARG 23 - HD2 ARG 66 lone 5 63 - 8 - HB3 ARG 27 - HD2 ARG 23 poor 5 25 - 21 - ~1285=1 HB3 ARG 27 - HD3 ARG 23 poor 5 25 - 21 - ~1285=1 HB3 ARG 23 - HD3 ARG 66 lone 5 63 - 8 - HB2 ARG 23 - HD2 ARG 66 lone 5 60 - 8 - HB2 ARG 27 - HD3 ARG 23 poor 5 24 - 21 - ~1285=1 HB2 ARG 27 - HD2 ARG 23 poor 5 24 - 21 - ~1285=1 HB2 ARG 66 - HD3 ARG 71 lone 5 56 - 8 - HB2 ARG 23 - HD3 ARG 66 lone 5 60 - 8 - HB3 ARG 27 - HD3 ARG 71 poor 4 37 - 11 - HB2 ARG 27 - HD3 ARG 71 poor 4 36 - 11 - HB3 PRO 34 - HD3 ARG 26 lone 4 53 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 4 52 - 8 - HB3 ARG 71 - HD2 ARG 27 poor 3 29 - 12 - HB3 ARG 71 - HD3 ARG 27 poor 3 29 - 12 - HB3 PRO 34 - HD3 ARG 71 lone 3 56 - 6 - HB2 ARG 71 - HD2 ARG 27 poor 3 28 - 12 - HB2 ARG 71 - HD3 ARG 27 poor 3 28 - 12 - HB2 ARG 26 - HD3 ARG 17 poor 3 29 - 11 - HB2 ARG 26 - HD2 ARG 17 poor 3 29 - 11 - HB3 ARG 26 - HD3 ARG 17 poor 3 29 - 11 - HB3 ARG 26 - HD2 ARG 17 poor 3 29 - 11 - HB3 ARG 71 - HD2 ARG 17 poor 3 19 - 16 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 poor 3 19 - 16 - ~2934=1 HB2 ARG 71 - HD2 ARG 17 poor 3 18 - 16 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 poor 3 18 - 16 - ~2934=1 HB2 ARG 66 - HD2 ARG 27 lone 3 45 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 3 45 - 6 - HB ILE 68 - HD3 ARG 71 lone 3 39 - 7 - ~5985=5 HB3 ARG 23 - HD2 ARG 27 poor 3 22 - 12 - 4.2/5300=1 HB3 ARG 23 - HD3 ARG 27 poor 3 22 - 12 - 4.2/5300=1 HB3 ARG 71 - HD2 ARG 23 lone 2 25 - 10 - HB3 ARG 71 - HD3 ARG 23 lone 2 25 - 10 - HB2 ARG 23 - HD2 ARG 27 poor 2 21 - 12 - 4.2/5300=1 HB2 ARG 23 - HD3 ARG 27 poor 2 21 - 12 - 4.2/5300=1 HB2 ARG 66 - HD3 ARG 23 lone 2 38 - 6 - HB2 ARG 66 - HD2 ARG 23 lone 2 38 - 6 - HB2 ARG 71 - HD3 ARG 23 lone 2 24 - 10 - HB2 ARG 71 - HD2 ARG 23 lone 2 24 - 10 - HB3 PRO 34 - HD2 ARG 66 lone 2 100 - 2 - HB3 PRO 34 - HD3 ARG 66 lone 2 100 - 2 - HB2 ARG 26 - HD2 ARG 23 lone 2 38 - 5 - HB2 ARG 26 - HD3 ARG 23 lone 2 38 - 5 - HB3 ARG 26 - HD3 ARG 23 lone 2 38 - 5 - HB3 ARG 26 - HD2 ARG 23 lone 2 38 - 5 - HB3 ARG 23 - HD3 ARG 26 lone 2 27 - 6 - HB3 ARG 27 - HD3 ARG 70 lone 2 66 - 3 - HB3 ARG 23 - HD2 ARG 26 lone 2 26 - 6 - HB3 ARG 27 - HD2 ARG 17 lone 2 19 - 9 - HB3 ARG 27 - HD3 ARG 17 lone 2 19 - 9 - HB2 ARG 27 - HD3 ARG 70 lone 2 64 - 2 - HB3 ARG 27 - HD2 ARG 70 lone 2 63 - 3 - HB2 ARG 23 - HD3 ARG 26 lone 2 25 - 6 - HB2 ARG 23 - HD2 ARG 26 lone 2 25 - 6 - HB2 ARG 27 - HD2 ARG 17 lone 2 18 - 9 - HB2 ARG 27 - HD3 ARG 17 lone 2 18 - 9 - HB2 ARG 27 - HD2 ARG 70 lone 2 61 - 3 - HB3 ARG 23 - HD3 ARG 71 lone 2 29 - 5 - HB3 PRO 14 - HD3 ARG 70 lone 2 86 - 2 - HB3 PRO 14 - HD3 ARG 26 lone 1 48 - 3 - HB3 PRO 14 - HD2 ARG 70 lone 1 82 - 2 - HB2 ARG 23 - HD3 ARG 71 lone 1 27 - 5 - HB ILE 68 - HD3 ARG 70 lone 1 69 - 2 - HB3 PRO 14 - HD2 ARG 26 lone 1 47 - 3 - HG12 ILE 40 - HD2 ARG 66 lone 1 60 - 2 - HG12 ILE 40 - HD3 ARG 66 lone 1 60 - 2 - HB ILE 68 - HD2 ARG 70 lone 1 65 - 2 - HB2 LYS 39 - HD3 ARG 66 lone 1 80 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 81 - 1 - HB2 LYS 39 - HD2 ARG 23 lone 1 26 - 5 - HB2 LYS 39 - HD3 ARG 23 lone 1 26 - 5 - HB2 ARG 66 - HD2 ARG 17 lone 1 30 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 1 30 - 3 - HB2 GLN 91 - HD3 ARG 26 lone 1 36 - 2 - HB3 ARG 23 - HD3 ARG 17 lone 1 14 - 6 - HB3 ARG 23 - HD2 ARG 17 lone 1 14 - 6 - HB2 GLN 91 - HD2 ARG 26 lone 1 36 - 2 - HB2 ARG 23 - HD2 ARG 17 lone 1 14 - 6 - HB2 ARG 23 - HD3 ARG 17 lone 1 14 - 6 - HB ILE 68 - HD3 ARG 26 lone 1 36 - 2 - HB2 MET 11 - HD3 ARG 70 lone 1 88 - 1 - HB ILE 68 - HD2 ARG 26 lone 1 36 - 2 - HB ILE 68 - HD2 ARG 23 lone 1 26 - 3 - HB ILE 68 - HD3 ARG 23 lone 1 26 - 3 - HB2 MET 11 - HD3 ARG 26 lone 1 50 - 1 - HB2 MET 11 - HD2 ARG 70 lone 1 84 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 48 - 1 - HB3 ARG 23 - HD3 ARG 70 lone 1 52 - 1 - HB3 PRO 34 - HD3 ARG 70 lone 1 92 - 1 - HB3 PRO 34 - HD2 ARG 70 lone 1 88 - 1 - HB2 ARG 23 - HD3 ARG 70 lone 1 50 - 1 - HB3 ARG 23 - HD2 ARG 70 lone 1 50 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 45 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 45 - 1 - HB2 GLN 91 - HD2 ARG 66 lone 1 81 - 1 - HB2 ARG 23 - HD2 ARG 70 lone 1 47 - 1 - HB2 GLN 91 - HD3 ARG 66 lone 1 80 - 1 - HB2 LYS 39 - HD3 ARG 70 lone 1 69 - 1 - HB2 LYS 39 - HD2 ARG 70 lone 0 65 - 1 - HB2 LYS 39 - HD3 ARG 71 lone 0 39 - 1 - HG12 ILE 40 - HD3 ARG 70 lone 0 50 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 0 38 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 0 38 - 1 - HG12 ILE 40 - HD2 ARG 70 lone 0 47 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 0 36 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 0 36 - 1 - HB2 GLN 91 - HD3 ARG 70 lone 0 69 - 0 - HB3 PRO 14 - HD3 ARG 71 lone 0 51 - 0 - HB2 GLN 91 - HD2 ARG 70 lone 0 65 - 0 - HB2 MET 11 - HD3 ARG 71 lone 0 53 - 0 - HB3 PRO 14 - HD3 ARG 27 lone 0 40 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 0 40 - 1 - HB3 PRO 14 - HD2 ARG 23 lone 0 35 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 0 35 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 0 30 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 0 30 - 1 - HB ILE 68 - HD3 ARG 27 lone 0 30 - 1 - HB ILE 68 - HD2 ARG 27 lone 0 30 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 0 30 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 0 30 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 0 25 - 1 - HG12 ILE 40 - HD2 ARG 26 lone 0 25 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 0 30 - 1 - HB2 GLN 91 - HD2 ARG 27 lone 0 30 - 1 - HB2 MET 11 - HD2 ARG 27 lone 0 42 - 0 - HB2 MET 11 - HD3 ARG 27 lone 0 42 - 0 - HB2 LYS 39 - HD2 ARG 17 lone 0 20 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 0 20 - 1 - HB2 GLN 91 - HD2 ARG 23 lone 0 26 - 1 - HB2 GLN 91 - HD3 ARG 23 lone 0 26 - 1 - HB2 GLN 91 - HD3 ARG 71 lone 0 39 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 27 - 1 - HB2 MET 11 - HD3 ARG 23 lone 0 36 - 0 - HB2 MET 11 - HD2 ARG 23 lone 0 36 - 0 - HB3 PRO 14 - HD3 ARG 17 lone 0 27 - 0 - HB3 PRO 14 - HD2 ARG 17 lone 0 27 - 0 - HB2 MET 11 - HD3 ARG 17 lone 0 28 - 0 - HB2 MET 11 - HD2 ARG 17 lone 0 28 - 0 - HB ILE 68 - HD2 ARG 17 lone 0 20 - 1 - HB ILE 68 - HD3 ARG 17 lone 0 20 - 1 - HG12 ILE 40 - HD2 ARG 27 lone 0 21 - 0 - HG12 ILE 40 - HD3 ARG 27 lone 0 21 - 0 - HG12 ILE 40 - HD3 ARG 23 lone 0 18 - 0 - HG12 ILE 40 - HD2 ARG 23 lone 0 18 - 0 - HB2 GLN 91 - HD2 ARG 17 lone 0 20 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 20 - 0 - HG12 ILE 40 - HD2 ARG 17 lone 0 14 - 0 - HG12 ILE 40 - HD3 ARG 17 lone 0 14 - 0 - Peak 2717 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.40 A): 12 out of 104 assignments used, quality = 1.00: * HB3 ARG 66 + HD2 ARG 66 OK 98 100 - 98 - 3.4=96, 2701/3.0=10...(21) HB3 ARG 66 + HD3 ARG 66 OK 98 100 - 98 - 3.4=96, 2701/3.0=10...(21) HB2 ARG 70 + HD3 ARG 70 OK 79 83 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB3 ARG 70 + HD3 ARG 70 OK 79 83 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB2 ARG 70 + HD2 ARG 70 OK 76 80 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB3 ARG 70 + HD2 ARG 70 OK 76 80 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB2 ARG 70 + HD2 ARG 66 OK 63 95 - 67 - 2701/3.0=5, 2709/3.0=5...(42) HB3 ARG 70 + HD2 ARG 66 OK 63 95 - 67 - 2701/3.0=5, 2709/3.0=5...(42) HB3 ARG 70 + HD3 ARG 66 OK 63 94 - 67 - 2701/3.0=5, 2709/3.0=5...(45) HB2 ARG 70 + HD3 ARG 66 OK 63 94 - 67 - 2701/3.0=5, 2709/3.0=5...(45) HB3 ARG 66 + HD3 ARG 70 OK 53 92 - 58 - 2867/3.0=5, 2.8/2712=3...(35) HB3 ARG 66 + HD2 ARG 70 OK 52 89 - 59 - 2867/3.0=5, 2.8/2712=3...(35) HB3 ARG 66 - HD3 ARG 26 OK 20 53 - 37 - 2.8/2713=2, 2.8/2705=2...(15) HB3 ARG 66 - HD2 ARG 26 OK 19 52 - 37 - 2.8/2713=2, 2.8/2705=2...(15) HG13 ILE 68 - HD2 ARG 66 OK 18 87 - 20 - ~5251=2, 2709/3.0=2...(8) HG13 ILE 68 - HD3 ARG 66 OK 18 87 - 20 - ~5251=2, 2709/3.0=2...(8) HB2 MET 31 - HD2 ARG 66 OK 11 99 - 11 - 2709/3.0=2, 2701/3.0=1 HB2 MET 31 - HD3 ARG 66 OK 11 99 - 11 - 2709/3.0=2, 2701/3.0=1 HB3 ARG 66 - HD3 ARG 71 OK 11 56 - 19 - 306/5.8=2, 5372/4.7=2...(5) HB3 ARG 70 - HD3 ARG 71 OK 10 49 - 21 - 306/5.8=3, 5372/4.7=2...(4) HB2 ARG 70 - HD3 ARG 71 OK 10 49 - 21 - 306/5.8=3, 5372/4.7=2...(4) HB2 GLN 79 - HD2 ARG 66 poor 8 71 - 11 - HB2 GLN 79 - HD3 ARG 66 poor 8 71 - 11 - HB VAL 41 - HD2 ARG 66 lone 5 96 - 6 - HB VAL 41 - HD3 ARG 66 lone 5 95 - 6 - HB2 ARG 70 - HD3 ARG 26 poor 5 46 - 12 - 4.4/5833=1 HB3 ARG 70 - HD3 ARG 26 poor 5 46 - 12 - 4.4/5833=1 HB2 ARG 70 - HD2 ARG 26 poor 5 45 - 12 - 4.4/5833=1 HB3 ARG 70 - HD2 ARG 26 poor 5 45 - 12 - 4.4/5833=1 HB3 ARG 66 - HD3 ARG 27 poor 5 45 - 11 - HB3 ARG 66 - HD2 ARG 27 poor 5 45 - 11 - HB3 ARG 66 - HD2 ARG 23 poor 5 38 - 12 - HB3 ARG 66 - HD3 ARG 23 poor 5 38 - 12 - HB2 MET 31 - HD3 ARG 70 lone 4 90 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 87 - 4 - HG LEU 57 - HD2 ARG 66 lone 4 95 - 4 - HG LEU 57 - HD3 ARG 66 lone 4 94 - 4 - HG LEU 57 - HD3 ARG 70 lone 3 83 - 4 - HG LEU 57 - HD2 ARG 70 lone 3 80 - 4 - HB VAL 41 - HD3 ARG 70 lone 3 84 - 4 - HG13 ILE 68 - HD3 ARG 70 lone 3 75 - 4 - 5817/6.3=2 HB VAL 41 - HD2 ARG 70 lone 3 81 - 3 - HG13 ILE 68 - HD2 ARG 70 lone 3 71 - 4 - 5817/6.3=2 HG13 ILE 68 - HD2 ARG 23 lone 2 29 - 6 - ~4759=2, ~5242=2 HG13 ILE 68 - HD3 ARG 23 lone 2 29 - 6 - ~4759=2, ~5242=2 HB2 GLN 79 - HD3 ARG 70 lone 2 60 - 3 - HB3 ARG 66 - HD3 ARG 17 lone 2 30 - 5 - HB3 ARG 66 - HD2 ARG 17 lone 2 30 - 5 - HB2 GLN 79 - HD2 ARG 70 lone 2 57 - 3 - HB2 ARG 70 - HD3 ARG 27 lone 2 39 - 4 - HB2 ARG 70 - HD2 ARG 27 lone 2 39 - 4 - HB3 ARG 70 - HD3 ARG 27 lone 2 39 - 4 - HB3 ARG 70 - HD2 ARG 27 lone 2 39 - 4 - HB VAL 41 - HD3 ARG 71 lone 1 50 - 3 - ~4345=1 HB3 ARG 70 - HD3 ARG 17 lone 1 26 - 5 - HB3 ARG 70 - HD2 ARG 17 lone 1 26 - 5 - HB2 ARG 70 - HD2 ARG 17 lone 1 26 - 5 - HB2 ARG 70 - HD3 ARG 17 lone 1 26 - 5 - HG13 ILE 68 - HD3 ARG 26 lone 1 40 - 3 - HG13 ILE 68 - HD2 ARG 26 lone 1 39 - 3 - HG LEU 57 - HD3 ARG 26 lone 1 46 - 2 - HG LEU 57 - HD2 ARG 26 lone 1 45 - 2 - HG13 ILE 68 - HD3 ARG 71 lone 1 43 - 2 - HG LEU 57 - HD3 ARG 71 lone 1 49 - 2 - HB2 MET 31 - HD3 ARG 26 lone 1 52 - 1 - HB2 MET 31 - HD2 ARG 26 lone 1 50 - 1 - HB2 MET 31 - HD3 ARG 71 lone 1 55 - 1 - HB VAL 41 - HD3 ARG 26 lone 1 47 - 1 - HB VAL 41 - HD2 ARG 26 lone 1 46 - 1 - HB3 ARG 70 - HD2 ARG 23 lone 1 33 - 2 - HB3 ARG 70 - HD3 ARG 23 lone 1 33 - 2 - HB2 ARG 70 - HD3 ARG 23 lone 1 33 - 2 - HB2 ARG 70 - HD2 ARG 23 lone 1 33 - 2 - HG LEU 57 - HD2 ARG 23 lone 1 33 - 2 - HG LEU 57 - HD3 ARG 23 lone 1 33 - 2 - HG LEU 57 - HD3 ARG 27 lone 0 39 - 1 - HG LEU 57 - HD2 ARG 27 lone 0 39 - 1 - HB2 MET 31 - HD3 ARG 27 lone 0 43 - 1 - HB2 MET 31 - HD2 ARG 27 lone 0 43 - 1 - HB VAL 41 - HD3 ARG 27 lone 0 40 - 1 - HB VAL 41 - HD2 ARG 27 lone 0 40 - 1 - HB VAL 41 - HD2 ARG 23 lone 0 34 - 1 - HB VAL 41 - HD3 ARG 23 lone 0 34 - 1 - HG13 ILE 68 - HD3 ARG 27 lone 0 34 - 1 - HG13 ILE 68 - HD2 ARG 27 lone 0 34 - 1 - HB2 MET 31 - HD3 ARG 23 lone 0 37 - 1 - HB2 MET 31 - HD2 ARG 23 lone 0 37 - 1 - HB2 GLN 79 - HD3 ARG 26 lone 0 31 - 1 - HB2 GLN 79 - HD2 ARG 26 lone 0 30 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 0 33 - 1 - HB VAL 41 - HD2 ARG 17 lone 0 26 - 1 - HB VAL 41 - HD3 ARG 17 lone 0 26 - 1 - HG LEU 57 - HD3 ARG 17 lone 0 26 - 1 - HG LEU 57 - HD2 ARG 17 lone 0 26 - 1 - HB2 MET 31 - HD2 ARG 17 lone 0 29 - 1 - HB2 MET 31 - HD3 ARG 17 lone 0 29 - 1 - HB2 GLN 79 - HD3 ARG 27 lone 0 26 - 1 - HB2 GLN 79 - HD2 ARG 27 lone 0 26 - 1 - HB2 GLN 79 - HD2 ARG 23 lone 0 22 - 1 - HB2 GLN 79 - HD3 ARG 23 lone 0 22 - 1 - HG13 ILE 68 - HD2 ARG 17 lone 0 22 - 1 - HG13 ILE 68 - HD3 ARG 17 lone 0 22 - 1 - HB2 GLN 79 - HD2 ARG 17 lone 0 17 - 1 - HB2 GLN 79 - HD3 ARG 17 lone 0 17 - 1 - Peak 2718 from cnoeabs.peaks (2.01, 3.19, 43.48 ppm; 3.63 A): 4 out of 182 assignments used, quality = 1.00: * HG2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 66 + HD3 ARG 70 OK 58 92 - 63 - 2703/3.0=6, 2701/3.5=5...(31) HG2 ARG 66 + HD2 ARG 70 OK 56 89 - 64 - 2703/3.0=6, 2701/3.5=5...(31) HG2 ARG 66 - HD3 ARG 26 OK 20 53 - 38 - 2705=3, 1.8/2713=3...(11) HG2 ARG 66 - HD2 ARG 26 OK 20 52 - 39 - 2705=3, 1.8/2713=3...(11) HB3 MET 11 - HD2 ARG 66 OK 17 100 - 17 - 969/3.4=3, 2710/3.0=3...(6) HB3 MET 11 - HD3 ARG 66 OK 17 100 - 17 - 969/3.4=3, 2710/3.0=3...(6) HG2 PRO 14 - HD2 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG3 PRO 14 - HD2 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG2 PRO 14 - HD3 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG3 PRO 14 - HD3 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HB VAL 90 - HD2 ARG 66 OK 14 99 - 14 - 2710/3.0=2, ~5373=1, 969/3.4=1 HB VAL 90 - HD3 ARG 66 OK 14 99 - 14 - 2710/3.0=2, ~5373=1, 969/3.4=1 HB3 GLN 79 - HD3 ARG 66 OK 12 90 - 14 - 2710/3.0=2, 5038/6.2=1 HB3 GLN 79 - HD2 ARG 66 OK 12 90 - 14 - 2710/3.0=2, 5038/6.2=1 HG2 ARG 66 - HD3 ARG 71 OK 11 56 - 20 - 5167/4.7=3, 2700/3.5=2...(6) HD3 ARG 69 - HD2 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD2 ARG 69 - HD2 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD2 ARG 69 - HD3 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD3 ARG 69 - HD3 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 QE MET 31 - HD2 ARG 66 lone 7 81 - 9 - 2710/3.0=1, 5079/5.2=1 QE MET 31 - HD3 ARG 66 lone 7 80 - 9 - 2710/3.0=1, 5079/5.2=1 HG LEU 43 - HD2 ARG 66 lone 7 78 - 8 - 2710/3.0=1 HG LEU 43 - HD3 ARG 66 lone 7 78 - 8 - 2710/3.0=1 HG2 ARG 66 - HD3 ARG 27 poor 5 45 - 12 - HG2 ARG 66 - HD2 ARG 27 poor 5 45 - 12 - HG2 ARG 66 - HD3 ARG 23 poor 5 38 - 12 - HG2 ARG 66 - HD2 ARG 23 poor 5 38 - 12 - HB3 GLN 79 - HD3 ARG 70 lone 3 78 - 4 - HB3 GLN 79 - HD2 ARG 70 lone 3 75 - 4 - HG LEU 43 - HD3 ARG 70 lone 3 66 - 5 - HG LEU 43 - HD2 ARG 70 lone 3 63 - 5 - QE MET 31 - HD3 ARG 70 lone 2 69 - 3 - QE MET 31 - HD2 ARG 70 lone 2 65 - 3 - HD2 ARG 69 - HD3 ARG 70 lone 2 71 - 3 - HD3 ARG 69 - HD3 ARG 70 lone 2 71 - 3 - HD2 ARG 69 - HD2 ARG 70 lone 2 67 - 3 - HD3 ARG 69 - HD2 ARG 70 lone 2 67 - 3 - HG2 ARG 66 - HD2 ARG 17 lone 2 30 - 6 - HG2 ARG 66 - HD3 ARG 17 lone 2 30 - 6 - HB3 MET 11 - HD3 ARG 26 lone 2 52 - 3 - HB3 MET 11 - HD2 ARG 26 lone 2 51 - 3 - HB VAL 90 - HD3 ARG 70 lone 2 89 - 2 - HB VAL 90 - HD3 ARG 26 lone 2 50 - 3 - HB VAL 90 - HD2 ARG 26 lone 2 49 - 3 - HB VAL 90 - HD2 ARG 70 lone 1 85 - 2 - HG3 PRO 14 - HD3 ARG 26 lone 1 30 - 5 - HG2 PRO 14 - HD3 ARG 26 lone 1 30 - 5 - HG2 PRO 14 - HD2 ARG 26 lone 1 29 - 5 - HG3 PRO 14 - HD2 ARG 26 lone 1 29 - 5 - HB3 MET 11 - HD3 ARG 70 lone 1 91 - 1 - HB3 MET 11 - HD2 ARG 70 lone 1 88 - 1 - HB3 PRO 56 - HD2 ARG 66 lone 1 81 - 1 - HB3 PRO 56 - HD3 ARG 66 lone 1 80 - 1 - HG LEU 43 - HD3 ARG 26 lone 1 35 - 3 - HG LEU 43 - HD2 ARG 26 lone 1 34 - 3 - HB2 GLU 87 - HD2 ARG 66 lone 1 81 - 1 - HB2 GLU 87 - HD3 ARG 66 lone 1 80 - 1 - HB VAL 90 - HD3 ARG 71 lone 1 54 - 2 - HG3 PRO 14 - HD3 ARG 70 lone 1 57 - 2 - HG2 PRO 14 - HD3 ARG 70 lone 1 57 - 2 - HG2 PRO 14 - HD2 ARG 70 lone 1 54 - 2 - HG3 PRO 14 - HD2 ARG 70 lone 1 54 - 2 - HB3 GLU 19 - HD2 ARG 66 lone 1 63 - 1 - HB3 GLU 19 - HD3 ARG 66 lone 1 63 - 1 - HG LEU 43 - HD3 ARG 71 lone 1 37 - 2 - HB2 GLU 87 - HD3 ARG 26 lone 1 36 - 2 - HG2 PRO 56 - HD2 ARG 66 lone 1 65 - 1 - HG2 PRO 56 - HD3 ARG 66 lone 1 65 - 1 - HB2 GLU 87 - HD2 ARG 26 lone 1 36 - 2 - HB3 GLN 79 - HD3 ARG 26 lone 1 43 - 2 - HB3 GLN 79 - HD2 ARG 26 lone 1 42 - 2 - HB3 GLU 19 - HD3 ARG 26 lone 1 27 - 3 - HB3 GLU 19 - HD2 ARG 26 lone 1 26 - 2 - HB3 GLN 79 - HD3 ARG 71 lone 1 46 - 1 - HB2 GLU 87 - HD3 ARG 70 lone 1 69 - 1 - HB2 GLU 87 - HD2 ARG 70 lone 1 65 - 1 - HB3 MET 11 - HD3 ARG 71 lone 1 56 - 1 - HB3 PRO 56 - HD3 ARG 70 lone 1 69 - 1 - HB3 PRO 56 - HD2 ARG 70 lone 0 65 - 1 - HD3 ARG 69 - HD3 ARG 26 lone 0 38 - 1 - HD2 ARG 69 - HD3 ARG 26 lone 0 38 - 1 - HD2 ARG 69 - HD2 ARG 26 lone 0 37 - 1 - HD3 ARG 69 - HD2 ARG 26 lone 0 37 - 1 - QE MET 31 - HD3 ARG 26 lone 0 36 - 1 - HB3 GLU 19 - HD3 ARG 70 lone 0 52 - 1 - QE MET 31 - HD2 ARG 26 lone 0 36 - 1 - QE MET 31 - HD2 ARG 23 lone 0 26 - 2 - QE MET 31 - HD3 ARG 23 lone 0 26 - 2 - HB3 GLU 19 - HD2 ARG 70 lone 0 50 - 1 - HB VAL 90 - HD2 ARG 27 lone 0 42 - 1 - HB VAL 90 - HD3 ARG 27 lone 0 42 - 1 - HD2 ARG 69 - HD3 ARG 71 lone 0 40 - 1 - HD3 ARG 69 - HD3 ARG 71 lone 0 40 - 1 - HB3 PRO 56 - HD3 ARG 26 lone 0 36 - 1 - HG LEU 43 - HD3 ARG 27 lone 0 29 - 1 - HG LEU 43 - HD2 ARG 27 lone 0 29 - 1 - HB3 PRO 56 - HD2 ARG 26 lone 0 36 - 1 - HG2 PRO 56 - HD3 ARG 70 lone 0 55 - 1 - HG LEU 43 - HD3 ARG 23 lone 0 25 - 2 - HG LEU 43 - HD2 ARG 23 lone 0 25 - 2 - QE MET 31 - HD3 ARG 71 lone 0 39 - 1 - HG2 PRO 56 - HD2 ARG 70 lone 0 52 - 1 - HB3 MET 11 - HD3 ARG 27 lone 0 44 - 1 - HB3 MET 11 - HD2 ARG 27 lone 0 44 - 1 - HB3 GLN 79 - HD3 ARG 27 lone 0 36 - 1 - HB3 GLN 79 - HD2 ARG 27 lone 0 36 - 1 - HB3 GLN 79 - HD3 ARG 23 lone 0 31 - 1 - HB3 GLN 79 - HD2 ARG 23 lone 0 31 - 1 - HB2 GLU 87 - HD3 ARG 71 lone 0 39 - 1 - HB VAL 90 - HD2 ARG 23 lone 0 36 - 1 - HB VAL 90 - HD3 ARG 23 lone 0 36 - 1 - QE MET 31 - HD2 ARG 27 lone 0 30 - 1 - QE MET 31 - HD3 ARG 27 lone 0 30 - 1 - HB2 GLU 87 - HD3 ARG 27 lone 0 30 - 1 - HB2 GLU 87 - HD2 ARG 27 lone 0 30 - 1 - HB3 MET 11 - HD2 ARG 23 lone 0 38 - 1 - HB3 MET 11 - HD3 ARG 23 lone 0 38 - 1 - HB3 GLU 19 - HD3 ARG 71 lone 0 29 - 1 - HG2 PRO 56 - HD3 ARG 26 lone 0 28 - 1 - HG2 PRO 56 - HD2 ARG 26 lone 0 27 - 1 - HB3 GLU 19 - HD2 ARG 27 lone 0 22 - 1 - HB3 GLU 19 - HD3 ARG 27 lone 0 22 - 1 - HG3 PRO 14 - HD3 ARG 71 lone 0 32 - 1 - HG2 PRO 14 - HD3 ARG 71 lone 0 32 - 1 - HG2 PRO 14 - HD3 ARG 23 lone 0 21 - 1 - HG2 PRO 14 - HD2 ARG 23 lone 0 21 - 1 - HG3 PRO 14 - HD3 ARG 23 lone 0 21 - 1 - HG3 PRO 14 - HD2 ARG 23 lone 0 21 - 1 - HB3 GLU 19 - HD2 ARG 17 lone 0 14 - 2 - HB3 GLU 19 - HD3 ARG 17 lone 0 14 - 2 - HB3 PRO 56 - HD3 ARG 71 lone 0 39 - 1 - HG LEU 43 - HD2 ARG 17 lone 0 19 - 1 - HG LEU 43 - HD3 ARG 17 lone 0 19 - 1 - HB VAL 90 - HD3 ARG 17 lone 0 28 - 1 - HB VAL 90 - HD2 ARG 17 lone 0 28 - 1 - HD2 ARG 69 - HD2 ARG 27 lone 0 31 - 1 - HD2 ARG 69 - HD3 ARG 27 lone 0 31 - 1 - HD3 ARG 69 - HD2 ARG 27 lone 0 31 - 1 - HD3 ARG 69 - HD3 ARG 27 lone 0 31 - 1 - HB3 PRO 56 - HD3 ARG 27 lone 0 30 - 1 - HB3 PRO 56 - HD2 ARG 27 lone 0 30 - 1 - QE MET 31 - HD2 ARG 17 lone 0 20 - 1 - QE MET 31 - HD3 ARG 17 lone 0 20 - 1 - HB2 GLU 87 - HD3 ARG 23 lone 0 26 - 1 - HB2 GLU 87 - HD2 ARG 23 lone 0 26 - 1 - HB3 MET 11 - HD2 ARG 17 lone 0 29 - 1 - HB3 MET 11 - HD3 ARG 17 lone 0 29 - 1 - HB3 GLN 79 - HD3 ARG 17 lone 0 24 - 1 - HB3 GLN 79 - HD2 ARG 17 lone 0 24 - 1 - HD2 ARG 69 - HD3 ARG 23 lone 0 27 - 1 - HD3 ARG 69 - HD3 ARG 23 lone 0 27 - 1 - HD3 ARG 69 - HD2 ARG 23 lone 0 27 - 1 - HD2 ARG 69 - HD2 ARG 23 lone 0 27 - 1 - HG2 PRO 56 - HD3 ARG 71 lone 0 30 - 1 - HB3 GLU 19 - HD3 ARG 23 lone 0 19 - 1 - HB3 GLU 19 - HD2 ARG 23 lone 0 19 - 1 - HG2 PRO 14 - HD2 ARG 27 lone 0 24 - 1 - HG2 PRO 14 - HD3 ARG 27 lone 0 24 - 1 - HG3 PRO 14 - HD3 ARG 27 lone 0 24 - 1 - HG3 PRO 14 - HD2 ARG 27 lone 0 24 - 1 - HB3 PRO 56 - HD3 ARG 23 lone 0 26 - 1 - HB3 PRO 56 - HD2 ARG 23 lone 0 26 - 1 - HB2 GLU 87 - HD3 ARG 17 lone 0 20 - 1 - HB2 GLU 87 - HD2 ARG 17 lone 0 20 - 1 - HG2 PRO 56 - HD3 ARG 27 lone 0 23 - 1 - HG2 PRO 56 - HD2 ARG 27 lone 0 23 - 1 - HD2 ARG 69 - HD2 ARG 17 lone 0 21 - 1 - HD2 ARG 69 - HD3 ARG 17 lone 0 21 - 1 - HD3 ARG 69 - HD3 ARG 17 lone 0 21 - 1 - HD3 ARG 69 - HD2 ARG 17 lone 0 21 - 1 - HG2 PRO 56 - HD2 ARG 23 lone 0 20 - 1 - HG2 PRO 56 - HD3 ARG 23 lone 0 20 - 1 - HB3 PRO 56 - HD2 ARG 17 lone 0 20 - 1 - HB3 PRO 56 - HD3 ARG 17 lone 0 20 - 1 - HG2 PRO 14 - HD2 ARG 17 lone 0 16 - 1 - HG2 PRO 14 - HD3 ARG 17 lone 0 16 - 1 - HG3 PRO 14 - HD3 ARG 17 lone 0 16 - 1 - HG3 PRO 14 - HD2 ARG 17 lone 0 16 - 1 - HG2 PRO 56 - HD2 ARG 17 lone 0 15 - 1 - HG2 PRO 56 - HD3 ARG 17 lone 0 15 - 1 - Peak 2719 from cnoeabs.peaks (1.70, 3.19, 43.48 ppm; 3.18 A): 7 out of 143 assignments used, quality = 1.00: * HG3 ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 83 83 - 100 - 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 80 80 - 100 - 3.0=100 HG2 ARG 70 + HD2 ARG 66 OK 48 95 - 51 - 2871=5, 2703/3.0=5...(19) HG2 ARG 70 + HD3 ARG 66 OK 47 94 - 51 - 2703/3.0=5, 2871=5...(19) HG3 ARG 66 + HD3 ARG 70 OK 46 92 - 50 - 2709/3.5=4, 2709/3.5=4...(22) HG3 ARG 66 - HD2 ARG 70 OK 45 89 - 51 - 2709/3.5=4, 2709/3.5=4...(22) HB3 LEU 64 - HD2 ARG 66 OK 22 100 - 22 - 2703/3.0=2, 3.1/5019=2...(7) HB3 LEU 64 - HD3 ARG 66 OK 22 100 - 22 - 2703/3.0=2, 3.1/5019=2...(7) HG2 ARG 23 - HD2 ARG 23 OK 22 22 - 100 - 2.9=100 HG2 ARG 23 - HD3 ARG 23 OK 22 22 - 100 - 2.9=100 HG3 ARG 66 - HD3 ARG 26 OK 15 53 - 29 - 2708/3.5=2, 2708/3.5=2...(9) HG3 ARG 66 - HD2 ARG 26 OK 15 52 - 29 - 2708/3.5=2, 2708/3.5=2...(9) HB3 LEU 64 - HD3 ARG 70 OK 14 92 - 15 - 2628/3.5=2, 2628/3.5=2 HB3 LEU 64 - HD2 ARG 70 OK 13 88 - 15 - 2628/3.5=2, 2628/3.5=2 HB3 LEU 64 - HD3 ARG 23 OK 10 38 - 27 - 2630/2.9=4, 3.1/5019=3...(9) HB3 LEU 64 - HD2 ARG 23 OK 10 38 - 27 - 2630/2.9=4, 3.1/5019=3...(9) HG2 ARG 70 - HD3 ARG 71 poor 9 49 - 18 - 307/5.8=3, 2869/3.0=2...(4) HG3 ARG 66 - HD3 ARG 71 poor 8 56 - 15 - 5395/4.7=2, 307/5.8=2...(5) HG LEU 29 - HD2 ARG 66 lone 7 81 - 9 - HG LEU 29 - HD3 ARG 66 lone 7 80 - 9 - HB2 LEU 29 - HD2 ARG 66 lone 7 81 - 9 - HB2 LEU 29 - HD3 ARG 66 lone 7 80 - 9 - HG2 ARG 23 - HD2 ARG 66 lone 7 71 - 9 - HG2 ARG 23 - HD3 ARG 66 lone 7 71 - 9 - HB2 LEU 29 - HD3 ARG 70 lone 6 69 - 9 - HG LEU 29 - HD3 ARG 70 lone 6 69 - 8 - 1499/3.0=1 HB2 LEU 29 - HD2 ARG 70 lone 6 65 - 9 - HG LEU 29 - HD2 ARG 70 lone 5 65 - 8 - 1499/3.0=1 HB2 ARG 82 - HD3 ARG 23 poor 4 38 - 11 - 5480/2.9=2, 5889/1.8=2 HB2 ARG 82 - HD2 ARG 23 poor 4 38 - 11 - 5480/2.9=2, 5889/1.8=2 HG2 ARG 70 - HD3 ARG 26 lone 4 46 - 9 - HG2 ARG 70 - HD2 ARG 26 lone 4 45 - 9 - HG3 ARG 66 - HD3 ARG 27 lone 4 45 - 8 - HG3 ARG 66 - HD2 ARG 27 lone 4 45 - 8 - HG2 ARG 23 - HD3 ARG 27 poor 4 26 - 15 - 1285/5.4=2, 1287/3.5=1...(6) HG2 ARG 23 - HD2 ARG 27 poor 4 26 - 15 - 1285/5.4=2, 1287/3.5=1...(6) HG3 ARG 66 - HD2 ARG 23 lone 4 38 - 9 - HG3 ARG 66 - HD3 ARG 23 lone 4 38 - 9 - HB2 LEU 43 - HD2 ARG 66 lone 3 60 - 5 - HB2 LEU 43 - HD3 ARG 66 lone 3 60 - 5 - HB3 LEU 64 - HD3 ARG 26 lone 3 53 - 5 - HB3 LEU 64 - HD2 ARG 26 lone 3 52 - 5 - HB3 LEU 64 - HD3 ARG 27 lone 3 45 - 6 - HB3 LEU 64 - HD2 ARG 27 lone 3 45 - 6 - HB3 LEU 64 - HD2 ARG 17 lone 3 30 - 9 - 3916/5.6=1, 2627/5.0=1 HB3 LEU 64 - HD3 ARG 17 lone 3 30 - 9 - 3916/5.6=1, 2627/5.0=1 HG2 ARG 23 - HD3 ARG 26 lone 2 31 - 7 - HG2 ARG 23 - HD2 ARG 26 lone 2 30 - 7 - HB2 ARG 82 - HD2 ARG 66 lone 2 100 - 2 - HB2 ARG 82 - HD3 ARG 66 lone 2 100 - 2 - HG2 ARG 23 - HD3 ARG 71 lone 2 33 - 6 - HB2 ARG 82 - HD3 ARG 71 lone 2 56 - 4 - HB2 LEU 29 - HD3 ARG 71 lone 2 39 - 5 - 5348/4.7=2, 307/5.8=1 HB2 LEU 29 - HD3 ARG 26 lone 2 36 - 6 - 5348/4.8=2 HB2 LEU 29 - HD2 ARG 26 lone 2 36 - 6 - 5348/4.8=2 HB3 LEU 64 - HD3 ARG 71 lone 2 56 - 3 - HB3 LYS 85 - HD3 ARG 70 lone 2 55 - 3 - HG LEU 29 - HD2 ARG 26 lone 2 36 - 5 - HG LEU 29 - HD3 ARG 26 lone 2 36 - 5 - HB3 LYS 85 - HD2 ARG 70 lone 2 52 - 3 - HB2 LEU 43 - HD3 ARG 70 lone 2 50 - 3 - HB3 LYS 13 - HD2 ARG 66 lone 2 93 - 2 - HB3 LYS 13 - HD3 ARG 66 lone 2 93 - 2 - HB2 LEU 43 - HD2 ARG 70 lone 2 47 - 3 - HB2 ARG 82 - HD3 ARG 70 lone 1 92 - 2 - HB2 ARG 82 - HD2 ARG 70 lone 1 89 - 2 - HG3 ARG 66 - HD3 ARG 17 lone 1 30 - 4 - HG3 ARG 66 - HD2 ARG 17 lone 1 30 - 4 - HG LEU 29 - HD3 ARG 71 lone 1 39 - 3 - HG2 ARG 70 - HD2 ARG 27 lone 1 39 - 3 - HG2 ARG 70 - HD3 ARG 27 lone 1 39 - 3 - HB3 LYS 13 - HD3 ARG 70 lone 1 82 - 1 - HB3 LYS 83 - HD3 ARG 70 lone 1 66 - 2 - HG2 ARG 23 - HD3 ARG 17 lone 1 17 - 6 - HG2 ARG 23 - HD2 ARG 17 lone 1 17 - 6 - HB3 LYS 13 - HD2 ARG 70 lone 1 78 - 1 - HB3 LYS 83 - HD2 ARG 70 lone 1 63 - 2 - HG2 ARG 70 - HD3 ARG 17 lone 1 26 - 4 - HG2 ARG 70 - HD2 ARG 17 lone 1 26 - 4 - HB2 ARG 82 - HD3 ARG 26 lone 1 53 - 2 - HB2 ARG 82 - HD2 ARG 26 lone 1 52 - 2 - HB3 LYS 83 - HD2 ARG 66 lone 1 78 - 1 - HB3 LYS 83 - HD3 ARG 66 lone 1 78 - 1 - HG2 ARG 23 - HD3 ARG 70 lone 1 60 - 1 - HG2 ARG 23 - HD2 ARG 70 lone 1 57 - 1 - HB2 ARG 82 - HD2 ARG 17 lone 1 30 - 2 - HB2 ARG 82 - HD3 ARG 17 lone 1 30 - 2 - HB3 LYS 85 - HD2 ARG 66 lone 1 65 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 1 65 - 1 - HB2 LEU 29 - HD2 ARG 23 lone 1 26 - 3 - HB2 LEU 29 - HD3 ARG 23 lone 1 26 - 3 - HB2 ARG 82 - HD2 ARG 27 lone 1 45 - 1 - HB2 ARG 82 - HD3 ARG 27 lone 1 45 - 1 - HB3 LYS 85 - HD3 ARG 71 lone 1 30 - 2 - HG LEU 29 - HD3 ARG 23 lone 1 26 - 2 - HG LEU 29 - HD2 ARG 23 lone 1 26 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 1 25 - 2 - HB2 LEU 43 - HD2 ARG 26 lone 1 25 - 2 - HB3 LYS 13 - HD3 ARG 23 lone 0 32 - 1 - HB3 LYS 13 - HD2 ARG 23 lone 0 32 - 1 - HB2 LEU 29 - HD2 ARG 27 lone 0 30 - 2 - HB2 LEU 29 - HD3 ARG 27 lone 0 30 - 2 - HG LEU 29 - HD3 ARG 27 lone 0 30 - 2 - HG LEU 29 - HD2 ARG 27 lone 0 30 - 2 - HB2 LEU 43 - HD3 ARG 71 lone 0 27 - 2 - HB3 LYS 13 - HD3 ARG 71 lone 0 48 - 1 - HB3 LYS 83 - HD3 ARG 71 lone 0 37 - 1 - HG2 ARG 70 - HD2 ARG 23 lone 0 33 - 1 - HG2 ARG 70 - HD3 ARG 23 lone 0 33 - 1 - HB3 LYS 13 - HD3 ARG 26 lone 0 45 - 1 - HB3 LYS 13 - HD2 ARG 26 lone 0 44 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 35 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 0 34 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 0 28 - 1 - HB2 LEU 29 - HD3 ARG 17 lone 0 20 - 1 - HB2 LEU 29 - HD2 ARG 17 lone 0 20 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 0 27 - 1 - HG LEU 29 - HD2 ARG 17 lone 0 20 - 1 - HG LEU 29 - HD3 ARG 17 lone 0 20 - 1 - HB3 LYS 13 - HD2 ARG 27 lone 0 38 - 1 - HB3 LYS 13 - HD3 ARG 27 lone 0 38 - 1 - HB3 LYS 83 - HD3 ARG 27 lone 0 29 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 29 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 0 25 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 0 25 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 0 18 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 0 18 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 0 21 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 0 21 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 0 19 - 1 - HB3 LYS 83 - HD2 ARG 17 lone 0 19 - 1 - HB3 LYS 85 - HD3 ARG 17 lone 0 15 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 0 15 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 0 23 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 0 23 - 1 - HB3 LYS 13 - HD3 ARG 17 lone 0 25 - 1 - HB3 LYS 13 - HD2 ARG 17 lone 0 25 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 0 20 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 0 20 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 0 14 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 0 14 - 1 - Peak 2720 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 6 out of 13 assignments used, quality = 1.00: * HD2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 HD3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 80 80 - 100 HD2 ARG 70 + HD2 ARG 70 OK 73 73 - 100 HD3 ARG 71 + HD3 ARG 71 OK 51 51 - 100 HD3 ARG 26 + HD3 ARG 26 OK 45 45 - 100 HD2 ARG 26 - HD2 ARG 26 OK 43 43 - 100 HD3 ARG 27 - HD3 ARG 27 OK 31 31 - 100 HD2 ARG 27 - HD2 ARG 27 OK 31 31 - 100 HD2 ARG 23 - HD2 ARG 23 OK 23 23 - 100 HD3 ARG 23 - HD3 ARG 23 OK 23 23 - 100 HD2 ARG 17 - HD2 ARG 17 OK 14 14 - 100 HD3 ARG 17 - HD3 ARG 17 OK 14 14 - 100 Peak 2721 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 7 out of 13 assignments used, quality = 1.00: HD3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 77 77 - 100 HD2 ARG 70 + HD2 ARG 70 OK 69 69 - 100 HD3 ARG 71 + HD3 ARG 71 OK 49 49 - 100 HD3 ARG 26 + HD3 ARG 26 OK 47 47 - 100 HD2 ARG 26 + HD2 ARG 26 OK 45 45 - 100 HD3 ARG 27 - HD3 ARG 27 OK 34 34 - 100 HD2 ARG 27 - HD2 ARG 27 OK 34 34 - 100 HD2 ARG 23 - HD2 ARG 23 OK 25 25 - 100 HD3 ARG 23 - HD3 ARG 23 OK 25 25 - 100 HD2 ARG 17 - HD2 ARG 17 OK 15 15 - 100 HD3 ARG 17 - HD3 ARG 17 OK 15 15 - 100 Reference assignment not found: HD3 ARG 66 - HD2 ARG 66 Peak 2723 from cnoeabs.peaks (3.98, 3.19, 43.48 ppm; 5.26 A): 8 out of 130 assignments used, quality = 1.00: * HA ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 5.2=100 HA ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 5.2=100 HA ARG 66 + HD3 ARG 70 OK 74 89 - 83 - 2679/3.0=11, 2677/3.5=9...(47) HA ARG 66 + HD2 ARG 70 OK 71 85 - 84 - 2679/3.0=11, 2677/3.5=9...(48) HA ARG 70 + HD3 ARG 66 OK 56 71 - 80 - 2707/3.0=9, 2699/3.0=7...(46) HA ARG 70 + HD2 ARG 66 OK 56 71 - 80 - 2707/3.0=9, 2699/3.0=7...(46) HA ARG 70 + HD3 ARG 70 OK 56 57 - 99 - 5.3=98, 2865/3.0=12...(23) HA ARG 70 + HD2 ARG 70 OK 53 53 - 99 - 5.3=98, 2865/3.0=12...(23) HA ARG 66 - HD3 ARG 26 OK 30 55 - 54 - 2676/3.5=5, 2676/3.5=5...(20) HA ARG 66 - HD2 ARG 26 OK 30 54 - 55 - 2676/3.5=5, 2676/3.5=5...(20) HA LYS 32 - HD2 ARG 66 OK 28 100 - 28 - 2707/3.0=4, ~5802=3...(11) HA LYS 32 - HD3 ARG 66 OK 28 100 - 28 - 2707/3.0=4, ~5802=3...(11) HA LYS 32 - HD3 ARG 70 OK 24 89 - 28 - 1554/6.3=3, ~2864=3...(9) HA LYS 32 - HD2 ARG 70 OK 23 85 - 28 - 1554/6.3=3, ~2864=3...(9) HA VAL 76 - HD3 ARG 66 OK 20 98 - 20 - 6044/3.4=3, 2707/3.0=3...(5) HA VAL 76 - HD2 ARG 66 OK 20 98 - 20 - 6044/3.4=3, 2707/3.0=3...(5) HA ARG 66 - HD3 ARG 71 OK 16 54 - 29 - 304/5.8=4, 2676/3.5=3...(11) HA ALA 28 - HD3 ARG 66 OK 14 85 - 17 - 2707/3.0=2, 4176/3.4=2...(7) HA VAL 76 - HD3 ARG 70 OK 14 84 - 17 - 3156/6.3=3, 6044/3.5=3...(4) HA ALA 28 - HD2 ARG 66 OK 14 85 - 17 - 2707/3.0=2, 4176/3.4=2...(7) HA2 GLY 72 - HD3 ARG 71 OK 14 46 - 31 - 6034/5.8=9, ~5841=6...(8) HA VAL 76 - HD2 ARG 70 OK 14 81 - 17 - 3156/6.3=3, 6044/3.5=3...(4) HA2 GLY 72 - HD3 ARG 66 OK 13 93 - 14 - ~5842=3, 2707/3.0=2...(4) HA2 GLY 72 - HD2 ARG 66 OK 13 93 - 14 - ~5842=3, 2707/3.0=2...(4) HA GLN 61 - HD3 ARG 66 OK 12 96 - 12 - 740/6.2=3, 2707/3.0=2...(5) HA GLN 61 - HD2 ARG 66 OK 12 95 - 12 - 740/6.2=3, 2707/3.0=2...(5) HA ALA 28 - HD3 ARG 26 OK 11 41 - 26 - ~4837=5, ~4180=3...(13) HA ALA 28 - HD2 ARG 26 OK 10 40 - 26 - ~4837=5, ~4180=3...(12) HA2 GLY 72 - HD3 ARG 70 poor 9 78 - 12 - ~5842=5, ~5840=3 HA LYS 32 - HD3 ARG 71 poor 9 54 - 17 - 1561/3.0=2, 304/5.8=1...(4) HA2 GLY 72 - HD2 ARG 70 poor 9 74 - 12 - ~5842=5, ~5840=3 HA ARG 66 - HD2 ARG 27 poor 9 48 - 18 - 2681=1, 2681/1.8=1 HA ARG 66 - HD3 ARG 27 poor 9 48 - 18 - 2681=1, 2681/1.8=1 HA ARG 70 - HD3 ARG 71 poor 9 32 - 28 - 3.6/5833=6, 4.7/2903=4...(11) HA ARG 66 - HD2 ARG 23 poor 8 42 - 19 - 2679/2.9=1, 2681=1, 2681/1.8=1 HA ARG 66 - HD3 ARG 23 poor 8 42 - 19 - 2679/2.9=1, 2681=1, 2681/1.8=1 HA ALA 28 - HD2 ARG 27 poor 7 35 - 21 - 3.0/5528=3, ~73=3...(9) HA ALA 28 - HD3 ARG 27 poor 7 35 - 21 - 3.0/5528=3, ~73=3...(9) HA2 GLY 21 - HD3 ARG 66 lone 7 71 - 9 - HA2 GLY 21 - HD2 ARG 66 lone 7 71 - 9 - HA3 GLY 21 - HD3 ARG 66 lone 6 68 - 9 - HA3 GLY 21 - HD2 ARG 66 lone 6 68 - 9 - HA ARG 70 - HD3 ARG 26 poor 6 32 - 18 - 3.6/5833=3, 4.7/2903=2...(4) HA ARG 70 - HD2 ARG 26 poor 6 32 - 18 - 3.6/5833=3, 4.7/2903=2...(4) HA GLU 50 - HD3 ARG 66 lone 5 95 - 5 - 740/6.2=1 HA GLU 50 - HD2 ARG 66 lone 5 94 - 5 - 740/6.2=1 HA LYS 32 - HD3 ARG 26 lone 5 55 - 9 - HA LYS 32 - HD2 ARG 26 lone 5 54 - 9 - HA ALA 28 - HD3 ARG 71 poor 5 40 - 12 - ~4180=1, ~73=1, ~72=1 HA ALA 28 - HD3 ARG 70 lone 5 69 - 7 - 3761/6.3=1 HA2 GLY 72 - HD3 ARG 26 lone 5 47 - 10 - ~5841=2, ~5840=2, ~314=1 HA2 GLY 72 - HD2 ARG 26 lone 4 46 - 10 - ~5841=2, ~5840=2, ~314=1 HA ALA 28 - HD2 ARG 70 lone 4 66 - 7 - 3761/6.3=1 HA VAL 76 - HD3 ARG 71 lone 3 51 - 6 - 5853/3.5=1, 5853/3.5=1 HA ARG 66 - HD3 ARG 17 lone 3 33 - 10 - HA ARG 66 - HD2 ARG 17 lone 3 33 - 10 - HA2 GLY 21 - HD3 ARG 26 lone 3 32 - 9 - HA2 GLY 21 - HD2 ARG 26 lone 3 32 - 9 - HA3 GLY 21 - HD3 ARG 26 lone 3 31 - 9 - HA3 GLY 21 - HD2 ARG 26 lone 3 30 - 9 - HA GLN 61 - HD3 ARG 70 lone 3 81 - 3 - HA GLN 61 - HD2 ARG 70 lone 2 77 - 3 - HA LYS 32 - HD3 ARG 27 lone 2 48 - 5 - HA LYS 32 - HD2 ARG 27 lone 2 48 - 5 - HA GLU 50 - HD3 ARG 70 lone 2 80 - 3 - HA GLN 61 - HD2 ARG 23 lone 2 37 - 6 - 2527/2.9=1, ~712=1 HA GLN 61 - HD3 ARG 23 lone 2 37 - 6 - 2527/2.9=1, ~712=1 HA ALA 28 - HD3 ARG 23 lone 2 30 - 8 - ~5321=2, 3.0/5528=1 HA ALA 28 - HD2 ARG 23 lone 2 30 - 8 - ~5321=2, 3.0/5528=1 HA GLU 50 - HD2 ARG 70 lone 2 76 - 3 - HA LYS 32 - HD3 ARG 17 lone 2 33 - 7 - HA LYS 32 - HD2 ARG 17 lone 2 33 - 7 - HA2 GLY 21 - HD3 ARG 71 lone 2 32 - 7 - HA ARG 70 - HD3 ARG 27 lone 2 28 - 8 - 3.6/5833=1 HA ARG 70 - HD2 ARG 27 lone 2 28 - 8 - 3.6/5833=1 HA2 GLY 21 - HD2 ARG 27 lone 2 28 - 8 - HA2 GLY 21 - HD3 ARG 27 lone 2 28 - 8 - HA VAL 76 - HD3 ARG 27 lone 2 45 - 5 - HA VAL 76 - HD2 ARG 27 lone 2 45 - 5 - HA3 GLY 21 - HD3 ARG 71 lone 2 30 - 7 - HA VAL 76 - HD3 ARG 26 lone 2 52 - 4 - HA3 GLY 21 - HD2 ARG 27 lone 2 26 - 8 - HA3 GLY 21 - HD3 ARG 27 lone 2 26 - 8 - HA VAL 76 - HD2 ARG 26 lone 2 51 - 4 - HA2 GLY 21 - HD3 ARG 17 lone 2 19 - 10 - ~5286=1 HA2 GLY 21 - HD2 ARG 17 lone 2 19 - 10 - ~5286=1 HA3 GLY 21 - HD3 ARG 17 lone 2 18 - 10 - ~5286=1 HA3 GLY 21 - HD2 ARG 17 lone 2 18 - 10 - ~5286=1 HA GLU 50 - HD3 ARG 26 lone 2 48 - 3 - HA GLN 61 - HD2 ARG 27 lone 2 42 - 4 - HA GLN 61 - HD3 ARG 27 lone 2 42 - 4 - HA2 GLY 21 - HD3 ARG 70 lone 2 57 - 3 - HA GLU 50 - HD2 ARG 26 lone 2 47 - 3 - HA GLN 61 - HD3 ARG 26 lone 2 49 - 3 - HA3 GLY 21 - HD3 ARG 70 lone 2 54 - 3 - HA ALA 28 - HD2 ARG 17 lone 2 24 - 6 - HA ALA 28 - HD3 ARG 17 lone 2 24 - 6 - HA ARG 70 - HD3 ARG 17 lone 2 19 - 8 - 2845/3.0=1, 2845/3.0=1 HA ARG 70 - HD2 ARG 17 lone 2 19 - 8 - 2845/3.0=1, 2845/3.0=1 HA GLN 61 - HD2 ARG 26 lone 1 48 - 3 - HA2 GLY 21 - HD2 ARG 70 lone 1 53 - 3 - HA VAL 76 - HD3 ARG 23 lone 1 39 - 4 - HA VAL 76 - HD2 ARG 23 lone 1 39 - 4 - HA3 GLY 21 - HD2 ARG 70 lone 1 51 - 3 - HA GLN 61 - HD3 ARG 71 lone 1 48 - 3 - HA2 GLY 72 - HD3 ARG 27 lone 1 40 - 3 - HA2 GLY 72 - HD2 ARG 27 lone 1 40 - 3 - HA2 GLY 72 - HD3 ARG 23 lone 1 35 - 4 - HA2 GLY 72 - HD2 ARG 23 lone 1 35 - 4 - HA GLU 50 - HD3 ARG 71 lone 1 47 - 3 - HA LYS 32 - HD2 ARG 23 lone 1 42 - 3 - HA LYS 32 - HD3 ARG 23 lone 1 42 - 3 - HA2 GLY 21 - HD2 ARG 23 lone 1 24 - 5 - HA2 GLY 21 - HD3 ARG 23 lone 1 24 - 5 - HA3 GLY 21 - HD2 ARG 23 lone 1 23 - 5 - HA3 GLY 21 - HD3 ARG 23 lone 1 23 - 5 - HA GLN 61 - HD3 ARG 17 lone 1 29 - 4 - 5758/5.6=2 HA GLN 61 - HD2 ARG 17 lone 1 29 - 4 - 5758/5.6=2 HA ARG 70 - HD3 ARG 23 lone 1 24 - 4 - HA ARG 70 - HD2 ARG 23 lone 1 24 - 4 - HA GLU 50 - HD2 ARG 27 lone 1 41 - 2 - HA GLU 50 - HD3 ARG 27 lone 1 41 - 2 - HA2 GLY 72 - HD2 ARG 17 lone 1 28 - 3 - HA2 GLY 72 - HD3 ARG 17 lone 1 28 - 3 - HA GLU 50 - HD3 ARG 23 lone 1 36 - 2 - HA GLU 50 - HD2 ARG 23 lone 1 36 - 2 - HA VAL 76 - HD2 ARG 17 lone 1 31 - 3 - HA VAL 76 - HD3 ARG 17 lone 1 31 - 3 - HA GLU 50 - HD3 ARG 17 lone 1 28 - 3 - HA GLU 50 - HD2 ARG 17 lone 1 28 - 3 - Peak 2724 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 2.94 A): 3 out of 208 assignments used, quality = 0.96: * HB2 ARG 66 + HD3 ARG 66 OK 72 100 - 72 - 3.4=62, ~2701=4, ~2707=3...(15) HB2 ARG 66 + HD2 ARG 66 OK 72 100 - 72 - 3.4=62, ~2701=4, ~2707=3...(15) HB2 ARG 66 + HD3 ARG 70 OK 43 89 - 49 - 2692/3.5=2, 2692/3.5=2...(25) HB2 ARG 66 - HD2 ARG 70 OK 41 85 - 49 - 2692/3.5=2, 2692/3.5=2...(23) HB2 ARG 26 - HD3 ARG 26 OK 40 55 - 73 - 3.5=61, 3.9/532=2...(7) HB3 ARG 26 - HD3 ARG 26 OK 40 54 - 73 - 3.5=61, 3.9/532=2...(7) HB2 ARG 26 - HD2 ARG 26 OK 39 54 - 73 - 3.5=61, 3.9/532=2...(7) HB3 ARG 26 - HD2 ARG 26 OK 39 53 - 73 - 3.5=61, 3.9/532=2...(7) HB2 ARG 26 - HD2 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB2 ARG 26 - HD3 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD2 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 26 - HD3 ARG 66 OK 29 100 - 29 - 2708/3.0=2, 2700/3.0=2...(6) HB3 ARG 71 - HD3 ARG 71 OK 25 36 - 70 - 3.5=58, 2917/3.0=2...(12) HB2 ARG 71 - HD3 ARG 71 OK 24 35 - 70 - 3.5=58, 2917/3.0=2...(12) HB3 ARG 27 - HD2 ARG 27 OK 23 31 - 73 - 3.5=57, 3.0/1421=2...(11) HB3 ARG 27 - HD3 ARG 27 OK 23 31 - 73 - 3.5=57, 3.0/1421=2...(11) HB2 ARG 27 - HD3 ARG 27 OK 22 30 - 73 - 3.5=57, 3.0/1420=2...(11) HB2 ARG 27 - HD2 ARG 27 OK 22 30 - 73 - 3.5=57, 3.0/1420=2...(11) HB3 ARG 71 - HD2 ARG 66 OK 21 78 - 27 - 2.8/2935=2, 2708/3.0=1...(7) HB3 ARG 71 - HD3 ARG 66 OK 21 78 - 27 - 2.8/2935=2, 2708/3.0=1...(7) HB2 ARG 71 - HD2 ARG 66 OK 20 76 - 27 - 2.8/2935=2, 2708/3.0=1...(7) HB2 ARG 71 - HD3 ARG 66 OK 20 76 - 26 - 2.8/2935=2, 2708/3.0=1...(7) HB3 ARG 23 - HD3 ARG 23 OK 15 20 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB3 ARG 23 - HD2 ARG 23 OK 15 20 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB2 ARG 23 - HD2 ARG 23 OK 14 19 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB2 ARG 23 - HD3 ARG 23 OK 14 19 - 73 - 3.5=58, ~1285=4, ~1286=4...(15) HB3 PRO 14 - HD3 ARG 66 OK 13 97 - 14 - 2708/3.0=1 HB3 PRO 14 - HD2 ARG 66 OK 13 96 - 14 - 2708/3.0=1 HB2 ARG 26 - HD3 ARG 71 OK 13 54 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB3 ARG 26 - HD3 ARG 71 OK 13 53 - 25 - ~2929=2, 3.0/1397=1, 1379/3.0=1 HB3 ARG 71 - HD3 ARG 26 OK 13 37 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB3 ARG 71 - HD2 ARG 26 OK 13 36 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 71 - HD3 ARG 26 OK 12 35 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 66 - HD2 ARG 26 OK 12 54 - 23 - 1393/3.0=1, 2.8/2713=1 HB3 ARG 71 - HD3 ARG 70 OK 12 63 - 19 - 2.8/2935=2, 4.0/5833=1...(5) HB2 ARG 66 - HD3 ARG 26 OK 12 55 - 22 - 1393/3.0=1, 2.8/2713=1 HB2 ARG 71 - HD2 ARG 26 OK 12 35 - 35 - 2.8/2935=2, 1392/3.0=2...(5) HB2 ARG 71 - HD3 ARG 70 OK 12 61 - 19 - 2.8/2935=2, 4.0/5833=1...(5) HB3 ARG 71 - HD2 ARG 70 OK 12 60 - 20 - 2.8/2935=2, 4.0/5833=1...(5) HB2 ARG 71 - HD2 ARG 70 OK 11 58 - 20 - 2.8/2935=2, 4.0/5833=1...(5) HB2 MET 11 - HD3 ARG 66 OK 10 98 - 10 - 965/3.0=2 HB2 MET 11 - HD2 ARG 66 OK 10 98 - 10 - 965/3.0=2 HB ILE 68 - HD3 ARG 66 poor 10 81 - 12 - ~5251=1 HB ILE 68 - HD2 ARG 66 poor 10 80 - 12 - ~5251=1 HB3 ARG 27 - HD3 ARG 26 poor 9 37 - 24 - 1392/3.0=1, 4.1/5382=1 HB3 ARG 27 - HD2 ARG 26 poor 9 36 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 27 - HD3 ARG 26 poor 9 35 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 27 - HD2 ARG 26 poor 8 35 - 24 - 1392/3.0=1, 4.1/5382=1 HB2 ARG 26 - HD3 ARG 27 poor 8 47 - 17 - 4.6/5382=1 HB2 ARG 26 - HD2 ARG 27 poor 8 47 - 17 - 4.6/5382=1 HB3 ARG 26 - HD3 ARG 27 poor 8 47 - 17 - 4.6/5382=1 HB3 ARG 26 - HD2 ARG 27 poor 8 47 - 17 - 4.6/5382=1 HB3 ARG 27 - HD2 ARG 66 lone 7 78 - 8 - HB2 ARG 26 - HD3 ARG 70 lone 7 88 - 7 - HB3 ARG 26 - HD3 ARG 70 lone 7 87 - 7 - HB3 ARG 27 - HD3 ARG 66 lone 7 78 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 6 76 - 8 - HB2 ARG 27 - HD3 ARG 66 lone 6 76 - 8 - HB2 ARG 26 - HD2 ARG 70 lone 6 84 - 7 - HB3 ARG 26 - HD2 ARG 70 lone 6 84 - 7 - HB3 ARG 27 - HD3 ARG 23 poor 6 27 - 21 - ~1285=1 HB3 ARG 27 - HD2 ARG 23 poor 6 27 - 21 - ~1285=1 HB2 ARG 27 - HD2 ARG 23 poor 5 26 - 21 - ~1285=1 HB2 ARG 27 - HD3 ARG 23 poor 5 26 - 21 - ~1285=1 HB3 ARG 23 - HD2 ARG 66 lone 5 63 - 8 - HB3 ARG 23 - HD3 ARG 66 lone 5 63 - 8 - HB2 ARG 23 - HD2 ARG 66 lone 5 60 - 8 - HB2 ARG 23 - HD3 ARG 66 lone 5 60 - 8 - HB2 ARG 66 - HD3 ARG 71 lone 5 54 - 8 - HB3 PRO 34 - HD3 ARG 26 lone 4 55 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 4 54 - 8 - HB3 ARG 27 - HD3 ARG 71 poor 4 36 - 11 - HB2 ARG 27 - HD3 ARG 71 poor 4 35 - 11 - HB3 ARG 71 - HD3 ARG 27 poor 4 31 - 12 - HB3 ARG 71 - HD2 ARG 27 poor 4 31 - 12 - HB2 ARG 71 - HD3 ARG 27 poor 4 30 - 12 - HB2 ARG 71 - HD2 ARG 27 poor 4 30 - 12 - HB2 ARG 26 - HD3 ARG 17 poor 3 33 - 11 - HB2 ARG 26 - HD2 ARG 17 poor 3 33 - 11 - HB3 ARG 26 - HD2 ARG 17 poor 3 32 - 11 - HB3 ARG 26 - HD3 ARG 17 poor 3 32 - 11 - HB3 ARG 71 - HD2 ARG 17 poor 3 21 - 17 - ~2934=1 HB3 ARG 71 - HD3 ARG 17 poor 3 21 - 17 - ~2934=1 HB3 PRO 34 - HD3 ARG 71 lone 3 54 - 6 - HB2 ARG 71 - HD2 ARG 17 poor 3 20 - 16 - ~2934=1 HB2 ARG 71 - HD3 ARG 17 poor 3 20 - 16 - ~2934=1 HB2 ARG 66 - HD2 ARG 27 lone 3 48 - 6 - HB2 ARG 66 - HD3 ARG 27 lone 3 48 - 6 - HB3 ARG 23 - HD2 ARG 27 poor 3 24 - 12 - 4.2/5300=1 HB3 ARG 23 - HD3 ARG 27 poor 3 24 - 12 - 4.2/5300=1 HB3 ARG 71 - HD2 ARG 23 lone 3 27 - 10 - HB3 ARG 71 - HD3 ARG 23 lone 3 27 - 10 - HB2 ARG 23 - HD2 ARG 27 poor 3 23 - 12 - 4.2/5300=1 HB2 ARG 23 - HD3 ARG 27 poor 3 23 - 12 - 4.2/5300=1 HB ILE 68 - HD3 ARG 71 lone 3 37 - 7 - ~5985=5 HB2 ARG 71 - HD3 ARG 23 lone 3 26 - 10 - HB2 ARG 71 - HD2 ARG 23 lone 3 26 - 10 - HB2 ARG 66 - HD2 ARG 23 lone 3 42 - 6 - HB2 ARG 66 - HD3 ARG 23 lone 3 42 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 2 41 - 6 - HB2 ARG 26 - HD3 ARG 23 lone 2 41 - 6 - HB3 ARG 26 - HD2 ARG 23 lone 2 41 - 6 - HB3 ARG 26 - HD3 ARG 23 lone 2 41 - 6 - HB3 PRO 34 - HD2 ARG 66 lone 2 100 - 2 - HB3 PRO 34 - HD3 ARG 66 lone 2 100 - 2 - HB3 ARG 27 - HD2 ARG 17 lone 2 21 - 9 - HB3 ARG 27 - HD3 ARG 17 lone 2 21 - 9 - HB3 ARG 23 - HD3 ARG 26 lone 2 28 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 2 27 - 6 - HB2 ARG 27 - HD3 ARG 17 lone 2 20 - 9 - HB2 ARG 27 - HD2 ARG 17 lone 2 20 - 9 - HB2 ARG 23 - HD3 ARG 26 lone 2 27 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 2 26 - 6 - HB3 ARG 27 - HD3 ARG 70 lone 2 63 - 2 - HB2 ARG 27 - HD3 ARG 70 lone 2 61 - 2 - HB3 PRO 14 - HD3 ARG 26 lone 2 50 - 3 - HB3 ARG 27 - HD2 ARG 70 lone 2 60 - 3 - HB3 PRO 14 - HD2 ARG 26 lone 2 49 - 3 - HB2 ARG 27 - HD2 ARG 70 lone 1 58 - 2 - HB3 ARG 23 - HD3 ARG 71 lone 1 27 - 5 - HB3 PRO 14 - HD3 ARG 70 lone 1 82 - 2 - HB2 ARG 23 - HD3 ARG 71 lone 1 26 - 5 - HB3 PRO 14 - HD2 ARG 70 lone 1 78 - 2 - HG12 ILE 40 - HD3 ARG 66 lone 1 60 - 2 - HB ILE 68 - HD3 ARG 70 lone 1 65 - 2 - HG12 ILE 40 - HD2 ARG 66 lone 1 60 - 2 - HB2 LYS 39 - HD2 ARG 23 lone 1 28 - 5 - HB2 LYS 39 - HD3 ARG 23 lone 1 28 - 5 - HB ILE 68 - HD2 ARG 70 lone 1 62 - 2 - HB2 LYS 39 - HD3 ARG 66 lone 1 81 - 1 - HB2 LYS 39 - HD2 ARG 66 lone 1 80 - 1 - HB2 ARG 66 - HD2 ARG 17 lone 1 33 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 1 33 - 3 - HB3 ARG 23 - HD2 ARG 17 lone 1 16 - 6 - HB3 ARG 23 - HD3 ARG 17 lone 1 16 - 6 - HB2 GLN 91 - HD3 ARG 26 lone 1 38 - 2 - HB2 ARG 23 - HD3 ARG 17 lone 1 15 - 6 - HB2 ARG 23 - HD2 ARG 17 lone 1 15 - 6 - HB2 GLN 91 - HD2 ARG 26 lone 1 37 - 2 - HB ILE 68 - HD3 ARG 23 lone 1 28 - 3 - HB ILE 68 - HD2 ARG 23 lone 1 28 - 3 - HB ILE 68 - HD3 ARG 26 lone 1 38 - 2 - HB ILE 68 - HD2 ARG 26 lone 1 37 - 2 - HB2 MET 11 - HD3 ARG 26 lone 1 52 - 1 - HB2 MET 11 - HD2 ARG 26 lone 1 51 - 1 - HB2 MET 11 - HD3 ARG 70 lone 1 84 - 1 - HB2 MET 11 - HD2 ARG 70 lone 1 81 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 48 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 48 - 1 - HB3 PRO 34 - HD3 ARG 70 lone 1 88 - 1 - HB3 ARG 23 - HD3 ARG 70 lone 1 50 - 1 - HB3 PRO 34 - HD2 ARG 70 lone 1 85 - 1 - HB2 ARG 23 - HD3 ARG 70 lone 1 47 - 1 - HB2 GLN 91 - HD3 ARG 66 lone 1 81 - 1 - HB2 GLN 91 - HD2 ARG 66 lone 1 80 - 1 - HB3 ARG 23 - HD2 ARG 70 lone 1 47 - 1 - HB2 ARG 23 - HD2 ARG 70 lone 1 44 - 1 - HB2 LYS 39 - HD3 ARG 70 lone 0 65 - 1 - HB2 LYS 39 - HD2 ARG 70 lone 0 62 - 1 - HB2 LYS 39 - HD3 ARG 71 lone 0 37 - 1 - HB3 PRO 34 - HD3 ARG 23 lone 0 42 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 0 42 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 0 38 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 0 37 - 1 - HG12 ILE 40 - HD3 ARG 70 lone 0 47 - 1 - HG12 ILE 40 - HD2 ARG 70 lone 0 44 - 1 - HB2 GLN 91 - HD3 ARG 70 lone 0 65 - 0 - HB3 PRO 14 - HD3 ARG 71 lone 0 49 - 0 - HB2 GLN 91 - HD2 ARG 70 lone 0 62 - 0 - HB3 PRO 34 - HD3 ARG 17 lone 0 33 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 0 33 - 1 - HB3 PRO 14 - HD2 ARG 23 lone 0 37 - 1 - HB3 PRO 14 - HD3 ARG 23 lone 0 37 - 1 - HB3 PRO 14 - HD2 ARG 27 lone 0 43 - 1 - HB3 PRO 14 - HD3 ARG 27 lone 0 43 - 1 - HB2 MET 11 - HD3 ARG 71 lone 0 51 - 0 - HB ILE 68 - HD3 ARG 27 lone 0 33 - 1 - HB ILE 68 - HD2 ARG 27 lone 0 33 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 0 33 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 0 33 - 1 - HG12 ILE 40 - HD3 ARG 26 lone 0 27 - 1 - HG12 ILE 40 - HD2 ARG 26 lone 0 26 - 1 - HB2 GLN 91 - HD3 ARG 27 lone 0 33 - 1 - HB2 GLN 91 - HD2 ARG 27 lone 0 33 - 1 - HB2 MET 11 - HD3 ARG 27 lone 0 45 - 0 - HB2 MET 11 - HD2 ARG 27 lone 0 45 - 0 - HB2 LYS 39 - HD2 ARG 17 lone 0 22 - 1 - HB2 LYS 39 - HD3 ARG 17 lone 0 22 - 1 - HB2 GLN 91 - HD3 ARG 23 lone 0 28 - 1 - HB2 GLN 91 - HD2 ARG 23 lone 0 28 - 1 - HB2 MET 11 - HD2 ARG 23 lone 0 39 - 0 - HB2 MET 11 - HD3 ARG 23 lone 0 39 - 0 - HB2 GLN 91 - HD3 ARG 71 lone 0 37 - 0 - HG12 ILE 40 - HD3 ARG 71 lone 0 26 - 1 - HB3 PRO 14 - HD3 ARG 17 lone 0 30 - 0 - HB3 PRO 14 - HD2 ARG 17 lone 0 30 - 0 - HB2 MET 11 - HD2 ARG 17 lone 0 31 - 0 - HB2 MET 11 - HD3 ARG 17 lone 0 31 - 0 - HB ILE 68 - HD3 ARG 17 lone 0 22 - 1 - HB ILE 68 - HD2 ARG 17 lone 0 22 - 1 - HG12 ILE 40 - HD2 ARG 27 lone 0 23 - 0 - HG12 ILE 40 - HD3 ARG 27 lone 0 23 - 0 - HG12 ILE 40 - HD2 ARG 23 lone 0 19 - 0 - HG12 ILE 40 - HD3 ARG 23 lone 0 19 - 0 - HB2 GLN 91 - HD3 ARG 17 lone 0 22 - 0 - HB2 GLN 91 - HD2 ARG 17 lone 0 22 - 0 - HG12 ILE 40 - HD3 ARG 17 lone 0 15 - 0 - HG12 ILE 40 - HD2 ARG 17 lone 0 15 - 0 - Peak 2725 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.40 A): 12 out of 104 assignments used, quality = 1.00: * HB3 ARG 66 + HD3 ARG 66 OK 98 100 - 98 - 3.4=96, 2701/3.0=10...(21) HB3 ARG 66 + HD2 ARG 66 OK 98 100 - 98 - 3.4=96, 2701/3.0=10...(21) HB2 ARG 70 + HD3 ARG 70 OK 76 80 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB3 ARG 70 + HD3 ARG 70 OK 76 80 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB3 ARG 70 + HD2 ARG 70 OK 72 76 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB2 ARG 70 + HD2 ARG 70 OK 72 76 - 95 - 3.5=93, ~2865=5, ~2844=3...(13) HB3 ARG 70 + HD3 ARG 66 OK 63 95 - 67 - 2701/3.0=5, 2709/3.0=5...(45) HB2 ARG 70 + HD3 ARG 66 OK 63 95 - 67 - 2701/3.0=5, 2709/3.0=5...(45) HB3 ARG 70 + HD2 ARG 66 OK 63 94 - 67 - 2701/3.0=5, 2709/3.0=5...(42) HB2 ARG 70 + HD2 ARG 66 OK 63 94 - 67 - 2701/3.0=5, 2709/3.0=5...(42) HB3 ARG 66 + HD3 ARG 70 OK 51 89 - 58 - 2867/3.0=5, 2.8/2712=3...(35) HB3 ARG 66 + HD2 ARG 70 OK 49 85 - 59 - 2867/3.0=5, 2.8/2712=3...(35) HB3 ARG 66 - HD3 ARG 26 OK 20 55 - 37 - 2.8/2713=2, 2.8/2705=2...(15) HB3 ARG 66 - HD2 ARG 26 OK 20 54 - 37 - 2.8/2713=2, 2.8/2705=2...(15) HG13 ILE 68 - HD3 ARG 66 OK 18 87 - 20 - ~5251=2, 2709/3.0=2...(8) HG13 ILE 68 - HD2 ARG 66 OK 18 87 - 20 - ~5251=2, 2709/3.0=2...(8) HB2 MET 31 - HD3 ARG 66 OK 11 99 - 11 - 2709/3.0=2, 2701/3.0=1 HB2 MET 31 - HD2 ARG 66 OK 11 99 - 11 - 2709/3.0=2, 2701/3.0=1 HB3 ARG 66 - HD3 ARG 71 OK 10 54 - 19 - 305/5.8=2, 5372/4.7=2...(5) HB3 ARG 70 - HD3 ARG 71 poor 10 47 - 21 - 306/5.8=3, 5372/4.7=2...(4) HB2 ARG 70 - HD3 ARG 71 poor 10 47 - 21 - 306/5.8=3, 5372/4.7=2...(4) HB2 GLN 79 - HD3 ARG 66 poor 8 71 - 11 - HB2 GLN 79 - HD2 ARG 66 poor 8 71 - 11 - HB2 ARG 70 - HD3 ARG 26 poor 6 48 - 12 - 4.4/5833=1 HB3 ARG 70 - HD3 ARG 26 poor 6 48 - 12 - 4.4/5833=1 HB2 ARG 70 - HD2 ARG 26 poor 6 47 - 12 - 4.4/5833=1 HB3 ARG 70 - HD2 ARG 26 poor 6 47 - 12 - 4.4/5833=1 HB VAL 41 - HD3 ARG 66 lone 5 96 - 6 - HB VAL 41 - HD2 ARG 66 lone 5 95 - 6 - HB3 ARG 66 - HD3 ARG 27 poor 5 48 - 11 - HB3 ARG 66 - HD2 ARG 27 poor 5 48 - 11 - HB3 ARG 66 - HD2 ARG 23 poor 5 42 - 12 - HB3 ARG 66 - HD3 ARG 23 poor 5 42 - 12 - HB2 MET 31 - HD3 ARG 70 lone 4 87 - 4 - HG LEU 57 - HD3 ARG 66 lone 4 95 - 4 - HG LEU 57 - HD2 ARG 66 lone 4 94 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 83 - 4 - HG LEU 57 - HD3 ARG 70 lone 3 80 - 4 - HG LEU 57 - HD2 ARG 70 lone 3 76 - 4 - HB VAL 41 - HD3 ARG 70 lone 3 81 - 4 - HG13 ILE 68 - HD3 ARG 70 lone 3 71 - 4 - 5817/6.3=2 HB VAL 41 - HD2 ARG 70 lone 3 77 - 3 - HG13 ILE 68 - HD2 ARG 70 lone 3 68 - 4 - 5817/6.3=2 HG13 ILE 68 - HD3 ARG 23 lone 2 31 - 6 - ~4759=2, ~5242=2 HG13 ILE 68 - HD2 ARG 23 lone 2 31 - 6 - ~4759=2, ~5242=2 HB3 ARG 66 - HD3 ARG 17 lone 2 33 - 6 - HB3 ARG 66 - HD2 ARG 17 lone 2 33 - 6 - HB2 ARG 70 - HD3 ARG 27 lone 2 41 - 4 - HB2 ARG 70 - HD2 ARG 27 lone 2 41 - 4 - HB3 ARG 70 - HD3 ARG 27 lone 2 41 - 4 - HB3 ARG 70 - HD2 ARG 27 lone 2 41 - 4 - HB2 GLN 79 - HD3 ARG 70 lone 2 57 - 3 - HB2 GLN 79 - HD2 ARG 70 lone 2 53 - 3 - HB3 ARG 70 - HD2 ARG 17 lone 2 28 - 5 - HB2 ARG 70 - HD2 ARG 17 lone 2 28 - 5 - HB2 ARG 70 - HD3 ARG 17 lone 2 28 - 5 - HB3 ARG 70 - HD3 ARG 17 lone 2 28 - 5 - HG13 ILE 68 - HD3 ARG 26 lone 1 42 - 3 - HB VAL 41 - HD3 ARG 71 lone 1 48 - 3 - ~4345=1 HG13 ILE 68 - HD2 ARG 26 lone 1 41 - 3 - HG LEU 57 - HD3 ARG 26 lone 1 48 - 2 - HG LEU 57 - HD2 ARG 26 lone 1 47 - 2 - HG13 ILE 68 - HD3 ARG 71 lone 1 41 - 2 - HB2 MET 31 - HD3 ARG 26 lone 1 54 - 1 - HG LEU 57 - HD3 ARG 71 lone 1 47 - 2 - HB2 MET 31 - HD2 ARG 26 lone 1 53 - 1 - HB2 MET 31 - HD3 ARG 71 lone 1 53 - 1 - HB VAL 41 - HD3 ARG 26 lone 1 49 - 1 - HB VAL 41 - HD2 ARG 26 lone 1 48 - 1 - HB2 ARG 70 - HD3 ARG 23 lone 1 36 - 2 - HB3 ARG 70 - HD2 ARG 23 lone 1 36 - 2 - HB3 ARG 70 - HD3 ARG 23 lone 1 36 - 2 - HB2 ARG 70 - HD2 ARG 23 lone 1 36 - 2 - HG LEU 57 - HD3 ARG 23 lone 1 36 - 2 - HG LEU 57 - HD2 ARG 23 lone 1 36 - 2 - HG LEU 57 - HD3 ARG 27 lone 1 41 - 1 - HG LEU 57 - HD2 ARG 27 lone 1 41 - 1 - HB2 MET 31 - HD3 ARG 27 lone 0 46 - 1 - HB2 MET 31 - HD2 ARG 27 lone 0 46 - 1 - HB VAL 41 - HD3 ARG 27 lone 0 42 - 1 - HB VAL 41 - HD2 ARG 27 lone 0 42 - 1 - HB VAL 41 - HD2 ARG 23 lone 0 37 - 1 - HB VAL 41 - HD3 ARG 23 lone 0 37 - 1 - HG13 ILE 68 - HD2 ARG 27 lone 0 36 - 1 - HG13 ILE 68 - HD3 ARG 27 lone 0 36 - 1 - HB2 MET 31 - HD2 ARG 23 lone 0 40 - 1 - HB2 MET 31 - HD3 ARG 23 lone 0 40 - 1 - HB2 GLN 79 - HD3 ARG 26 lone 0 32 - 1 - HB2 GLN 79 - HD2 ARG 26 lone 0 32 - 1 - HB VAL 41 - HD3 ARG 17 lone 0 29 - 1 - HB VAL 41 - HD2 ARG 17 lone 0 29 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 0 32 - 1 - HG LEU 57 - HD2 ARG 17 lone 0 28 - 1 - HG LEU 57 - HD3 ARG 17 lone 0 28 - 1 - HB2 MET 31 - HD2 ARG 17 lone 0 32 - 1 - HB2 MET 31 - HD3 ARG 17 lone 0 32 - 1 - HB2 GLN 79 - HD3 ARG 27 lone 0 28 - 1 - HB2 GLN 79 - HD2 ARG 27 lone 0 28 - 1 - HB2 GLN 79 - HD2 ARG 23 lone 0 24 - 1 - HB2 GLN 79 - HD3 ARG 23 lone 0 24 - 1 - HG13 ILE 68 - HD3 ARG 17 lone 0 25 - 1 - HG13 ILE 68 - HD2 ARG 17 lone 0 25 - 1 - HB2 GLN 79 - HD2 ARG 17 lone 0 19 - 1 - HB2 GLN 79 - HD3 ARG 17 lone 0 19 - 1 - Peak 2726 from cnoeabs.peaks (2.01, 3.19, 43.48 ppm; 3.63 A): 4 out of 182 assignments used, quality = 1.00: * HG2 ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 66 + HD3 ARG 70 OK 56 89 - 63 - 2703/3.0=6, 2701/3.5=5...(31) HG2 ARG 66 + HD2 ARG 70 OK 54 85 - 64 - 2703/3.0=6, 2701/3.5=5...(31) HG2 ARG 66 - HD3 ARG 26 OK 21 55 - 38 - 2705=3, 1.8/2713=3...(11) HG2 ARG 66 - HD2 ARG 26 OK 21 54 - 39 - 2705=3, 1.8/2713=3...(11) HB3 MET 11 - HD2 ARG 66 OK 17 100 - 17 - 969/3.4=3, 2710/3.0=3...(6) HB3 MET 11 - HD3 ARG 66 OK 17 100 - 17 - 969/3.4=3, 2710/3.0=3...(6) HG2 PRO 14 - HD3 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG3 PRO 14 - HD3 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG2 PRO 14 - HD2 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HG3 PRO 14 - HD2 ARG 66 OK 15 68 - 22 - 2710/3.0=2, ~2710=1...(8) HB VAL 90 - HD2 ARG 66 OK 14 99 - 14 - 2710/3.0=2, ~5373=1, 969/3.4=1 HB VAL 90 - HD3 ARG 66 OK 14 99 - 14 - 2710/3.0=2, ~5373=1, 969/3.4=1 HB3 GLN 79 - HD3 ARG 66 OK 12 90 - 14 - 2710/3.0=2, 5038/6.2=1 HB3 GLN 79 - HD2 ARG 66 OK 12 90 - 14 - 2710/3.0=2, 5038/6.2=1 HG2 ARG 66 - HD3 ARG 71 OK 11 54 - 20 - 5167/4.7=3, 2700/3.5=2...(6) HD2 ARG 69 - HD2 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD3 ARG 69 - HD2 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD3 ARG 69 - HD3 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 HD2 ARG 69 - HD3 ARG 66 lone 8 83 - 10 - 2678/5.2=2, 2710/3.0=1 QE MET 31 - HD3 ARG 66 lone 7 81 - 9 - 2710/3.0=1, 5079/5.2=1 QE MET 31 - HD2 ARG 66 lone 7 80 - 9 - 2710/3.0=1, 5079/5.2=1 HG LEU 43 - HD3 ARG 66 lone 7 78 - 8 - 2710/3.0=1 HG LEU 43 - HD2 ARG 66 lone 7 78 - 8 - 2710/3.0=1 HG2 ARG 66 - HD2 ARG 27 poor 6 48 - 12 - HG2 ARG 66 - HD3 ARG 27 poor 6 48 - 12 - HG2 ARG 66 - HD2 ARG 23 poor 5 42 - 12 - HG2 ARG 66 - HD3 ARG 23 poor 5 42 - 12 - HB3 GLN 79 - HD3 ARG 70 lone 3 75 - 4 - HG LEU 43 - HD3 ARG 70 lone 3 63 - 5 - HB3 GLN 79 - HD2 ARG 70 lone 3 71 - 4 - HG LEU 43 - HD2 ARG 70 lone 3 60 - 5 - QE MET 31 - HD3 ARG 70 lone 2 65 - 3 - QE MET 31 - HD2 ARG 70 lone 2 62 - 3 - HD2 ARG 69 - HD3 ARG 70 lone 2 67 - 3 - HD3 ARG 69 - HD3 ARG 70 lone 2 67 - 3 - HG2 ARG 66 - HD3 ARG 17 lone 2 33 - 6 - HG2 ARG 66 - HD2 ARG 17 lone 2 33 - 6 - HD3 ARG 69 - HD2 ARG 70 lone 2 64 - 3 - HD2 ARG 69 - HD2 ARG 70 lone 2 64 - 3 - HB3 MET 11 - HD3 ARG 26 lone 2 55 - 3 - HB3 MET 11 - HD2 ARG 26 lone 2 54 - 3 - HB VAL 90 - HD3 ARG 26 lone 2 53 - 3 - HB VAL 90 - HD2 ARG 26 lone 2 52 - 3 - HB VAL 90 - HD3 ARG 70 lone 1 85 - 2 - HG2 PRO 14 - HD3 ARG 26 lone 2 31 - 5 - HG3 PRO 14 - HD3 ARG 26 lone 2 31 - 5 - HG2 PRO 14 - HD2 ARG 26 lone 1 30 - 5 - HG3 PRO 14 - HD2 ARG 26 lone 1 30 - 5 - HB VAL 90 - HD2 ARG 70 lone 1 81 - 2 - HB3 MET 11 - HD3 ARG 70 lone 1 88 - 1 - HG LEU 43 - HD3 ARG 26 lone 1 37 - 3 - HB3 MET 11 - HD2 ARG 70 lone 1 84 - 1 - HG LEU 43 - HD2 ARG 26 lone 1 36 - 3 - HB3 PRO 56 - HD3 ARG 66 lone 1 81 - 1 - HB3 PRO 56 - HD2 ARG 66 lone 1 80 - 1 - HB2 GLU 87 - HD3 ARG 66 lone 1 81 - 1 - HB2 GLU 87 - HD2 ARG 66 lone 1 80 - 1 - HB VAL 90 - HD3 ARG 71 lone 1 52 - 2 - HG2 PRO 14 - HD3 ARG 70 lone 1 54 - 2 - HG3 PRO 14 - HD3 ARG 70 lone 1 54 - 2 - HB3 GLU 19 - HD3 ARG 66 lone 1 63 - 1 - HB3 GLU 19 - HD2 ARG 66 lone 1 63 - 1 - HB2 GLU 87 - HD3 ARG 26 lone 1 38 - 2 - HG2 PRO 14 - HD2 ARG 70 lone 1 51 - 2 - HG3 PRO 14 - HD2 ARG 70 lone 1 51 - 2 - HB2 GLU 87 - HD2 ARG 26 lone 1 37 - 2 - HG LEU 43 - HD3 ARG 71 lone 1 36 - 2 - HG2 PRO 56 - HD3 ARG 66 lone 1 65 - 1 - HG2 PRO 56 - HD2 ARG 66 lone 1 65 - 1 - HB3 GLN 79 - HD3 ARG 26 lone 1 45 - 2 - HB3 GLN 79 - HD2 ARG 26 lone 1 44 - 2 - HB3 GLU 19 - HD3 ARG 26 lone 1 28 - 3 - HB3 GLU 19 - HD2 ARG 26 lone 1 27 - 3 - HB3 GLN 79 - HD3 ARG 71 lone 1 44 - 1 - HB2 GLU 87 - HD3 ARG 70 lone 1 65 - 1 - HB3 MET 11 - HD3 ARG 71 lone 1 54 - 1 - HB2 GLU 87 - HD2 ARG 70 lone 0 62 - 1 - HB3 PRO 56 - HD3 ARG 70 lone 0 65 - 1 - HD2 ARG 69 - HD3 ARG 26 lone 0 40 - 1 - HD3 ARG 69 - HD3 ARG 26 lone 0 40 - 1 - HD3 ARG 69 - HD2 ARG 26 lone 0 39 - 1 - HD2 ARG 69 - HD2 ARG 26 lone 0 39 - 1 - HB3 PRO 56 - HD2 ARG 70 lone 0 62 - 1 - QE MET 31 - HD3 ARG 26 lone 0 38 - 1 - QE MET 31 - HD2 ARG 23 lone 0 28 - 2 - QE MET 31 - HD3 ARG 23 lone 0 28 - 2 - QE MET 31 - HD2 ARG 26 lone 0 37 - 1 - HB VAL 90 - HD3 ARG 27 lone 0 45 - 1 - HB VAL 90 - HD2 ARG 27 lone 0 45 - 1 - HG LEU 43 - HD2 ARG 27 lone 0 31 - 1 - HG LEU 43 - HD3 ARG 27 lone 0 31 - 1 - HG LEU 43 - HD2 ARG 23 lone 0 27 - 2 - HG LEU 43 - HD3 ARG 23 lone 0 27 - 2 - HB3 PRO 56 - HD3 ARG 26 lone 0 38 - 1 - HB3 PRO 56 - HD2 ARG 26 lone 0 37 - 1 - HB3 GLU 19 - HD3 ARG 70 lone 0 50 - 1 - HD2 ARG 69 - HD3 ARG 71 lone 0 39 - 1 - HD3 ARG 69 - HD3 ARG 71 lone 0 39 - 1 - HB3 GLU 19 - HD2 ARG 70 lone 0 47 - 1 - HB3 MET 11 - HD3 ARG 27 lone 0 47 - 1 - HB3 MET 11 - HD2 ARG 27 lone 0 47 - 1 - HB3 GLN 79 - HD3 ARG 27 lone 0 38 - 1 - HB3 GLN 79 - HD2 ARG 27 lone 0 38 - 1 - HG2 PRO 56 - HD3 ARG 70 lone 0 52 - 1 - HB3 GLN 79 - HD2 ARG 23 lone 0 33 - 1 - HB3 GLN 79 - HD3 ARG 23 lone 0 33 - 1 - QE MET 31 - HD3 ARG 71 lone 0 37 - 1 - HG2 PRO 56 - HD2 ARG 70 lone 0 49 - 1 - HB VAL 90 - HD2 ARG 23 lone 0 39 - 1 - HB VAL 90 - HD3 ARG 23 lone 0 39 - 1 - QE MET 31 - HD2 ARG 27 lone 0 33 - 1 - QE MET 31 - HD3 ARG 27 lone 0 33 - 1 - HB2 GLU 87 - HD2 ARG 27 lone 0 33 - 1 - HB2 GLU 87 - HD3 ARG 27 lone 0 33 - 1 - HB3 MET 11 - HD3 ARG 23 lone 0 41 - 1 - HB3 MET 11 - HD2 ARG 23 lone 0 41 - 1 - HB2 GLU 87 - HD3 ARG 71 lone 0 37 - 1 - HB3 GLU 19 - HD2 ARG 17 lone 0 16 - 2 - HB3 GLU 19 - HD3 ARG 17 lone 0 16 - 2 - HG2 PRO 56 - HD3 ARG 26 lone 0 29 - 1 - HB3 GLU 19 - HD2 ARG 27 lone 0 24 - 1 - HB3 GLU 19 - HD3 ARG 27 lone 0 24 - 1 - HG3 PRO 14 - HD2 ARG 23 lone 0 23 - 1 - HG3 PRO 14 - HD3 ARG 23 lone 0 23 - 1 - HG2 PRO 14 - HD2 ARG 23 lone 0 23 - 1 - HG2 PRO 14 - HD3 ARG 23 lone 0 23 - 1 - HG2 PRO 56 - HD2 ARG 26 lone 0 29 - 1 - HB3 GLU 19 - HD3 ARG 71 lone 0 27 - 1 - HG LEU 43 - HD2 ARG 17 lone 0 21 - 1 - HG LEU 43 - HD3 ARG 17 lone 0 21 - 1 - HB VAL 90 - HD3 ARG 17 lone 0 31 - 1 - HB VAL 90 - HD2 ARG 17 lone 0 31 - 1 - HG3 PRO 14 - HD3 ARG 71 lone 0 30 - 1 - HG2 PRO 14 - HD3 ARG 71 lone 0 30 - 1 - HD2 ARG 69 - HD2 ARG 27 lone 0 34 - 1 - HD2 ARG 69 - HD3 ARG 27 lone 0 34 - 1 - HD3 ARG 69 - HD2 ARG 27 lone 0 34 - 1 - HD3 ARG 69 - HD3 ARG 27 lone 0 34 - 1 - HB3 PRO 56 - HD3 ARG 71 lone 0 37 - 1 - HB3 PRO 56 - HD3 ARG 27 lone 0 33 - 1 - HB3 PRO 56 - HD2 ARG 27 lone 0 33 - 1 - QE MET 31 - HD2 ARG 17 lone 0 22 - 1 - QE MET 31 - HD3 ARG 17 lone 0 22 - 1 - HB2 GLU 87 - HD2 ARG 23 lone 0 28 - 1 - HB2 GLU 87 - HD3 ARG 23 lone 0 28 - 1 - HB3 MET 11 - HD2 ARG 17 lone 0 33 - 1 - HB3 MET 11 - HD3 ARG 17 lone 0 33 - 1 - HB3 GLN 79 - HD2 ARG 17 lone 0 26 - 1 - HB3 GLN 79 - HD3 ARG 17 lone 0 26 - 1 - HD2 ARG 69 - HD3 ARG 23 lone 0 29 - 1 - HD3 ARG 69 - HD3 ARG 23 lone 0 29 - 1 - HD2 ARG 69 - HD2 ARG 23 lone 0 29 - 1 - HD3 ARG 69 - HD2 ARG 23 lone 0 29 - 1 - HB3 GLU 19 - HD3 ARG 23 lone 0 20 - 1 - HB3 GLU 19 - HD2 ARG 23 lone 0 20 - 1 - HG3 PRO 14 - HD2 ARG 27 lone 0 26 - 1 - HG2 PRO 14 - HD3 ARG 27 lone 0 26 - 1 - HG2 PRO 14 - HD2 ARG 27 lone 0 26 - 1 - HG3 PRO 14 - HD3 ARG 27 lone 0 26 - 1 - HG2 PRO 56 - HD3 ARG 71 lone 0 29 - 1 - HB3 PRO 56 - HD2 ARG 23 lone 0 28 - 1 - HB3 PRO 56 - HD3 ARG 23 lone 0 28 - 1 - HB2 GLU 87 - HD2 ARG 17 lone 0 22 - 1 - HB2 GLU 87 - HD3 ARG 17 lone 0 22 - 1 - HG2 PRO 56 - HD3 ARG 27 lone 0 25 - 1 - HG2 PRO 56 - HD2 ARG 27 lone 0 25 - 1 - HD3 ARG 69 - HD2 ARG 17 lone 0 23 - 1 - HD2 ARG 69 - HD3 ARG 17 lone 0 23 - 1 - HD2 ARG 69 - HD2 ARG 17 lone 0 23 - 1 - HD3 ARG 69 - HD3 ARG 17 lone 0 23 - 1 - HB3 PRO 56 - HD2 ARG 17 lone 0 22 - 1 - HB3 PRO 56 - HD3 ARG 17 lone 0 22 - 1 - HG2 PRO 56 - HD3 ARG 23 lone 0 22 - 1 - HG2 PRO 56 - HD2 ARG 23 lone 0 22 - 1 - HG2 PRO 14 - HD3 ARG 17 lone 0 18 - 1 - HG2 PRO 14 - HD2 ARG 17 lone 0 18 - 1 - HG3 PRO 14 - HD2 ARG 17 lone 0 18 - 1 - HG3 PRO 14 - HD3 ARG 17 lone 0 18 - 1 - HG2 PRO 56 - HD3 ARG 17 lone 0 17 - 1 - HG2 PRO 56 - HD2 ARG 17 lone 0 17 - 1 - Peak 2727 from cnoeabs.peaks (1.70, 3.19, 43.48 ppm; 3.18 A): 6 out of 143 assignments used, quality = 1.00: * HG3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 - 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 100 100 - 100 - 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 80 80 - 100 - 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 76 76 - 100 - 3.0=100 HG2 ARG 70 + HD3 ARG 66 OK 47 95 - 50 - 2703/3.0=5, 2871=5...(19) HG2 ARG 70 + HD2 ARG 66 OK 47 94 - 50 - 2703/3.0=5, 2871=5...(19) HG3 ARG 66 - HD3 ARG 70 OK 44 89 - 50 - 2709/3.5=4, 2709/3.5=4...(22) HG3 ARG 66 - HD2 ARG 70 OK 43 85 - 51 - 2709/3.5=4, 2709/3.5=4...(22) HG2 ARG 23 - HD2 ARG 23 OK 24 24 - 100 - 2.9=100 HG2 ARG 23 - HD3 ARG 23 OK 24 24 - 100 - 2.9=100 HB3 LEU 64 - HD3 ARG 66 OK 22 100 - 22 - 2703/3.0=2, 3.1/5019=2...(7) HB3 LEU 64 - HD2 ARG 66 OK 22 100 - 22 - 2703/3.0=2, 3.1/5019=2...(7) HG3 ARG 66 - HD3 ARG 26 OK 16 55 - 29 - 2708/3.5=2, 2708/3.5=2...(9) HG3 ARG 66 - HD2 ARG 26 OK 16 54 - 29 - 2708/3.5=2, 2708/3.5=2...(9) HB3 LEU 64 - HD3 ARG 70 OK 13 88 - 15 - 2628/3.5=2, 2628/3.5=2 HB3 LEU 64 - HD2 ARG 70 OK 13 85 - 15 - 2628/3.5=2, 2628/3.5=2 HB3 LEU 64 - HD3 ARG 23 OK 11 42 - 27 - 2630/2.9=4, 3.1/5019=3...(10) HB3 LEU 64 - HD2 ARG 23 OK 11 42 - 27 - 2630/2.9=4, 3.1/5019=3...(10) HG2 ARG 70 - HD3 ARG 71 poor 9 47 - 18 - 307/5.8=3, 2869/3.0=2...(4) HG3 ARG 66 - HD3 ARG 71 poor 8 54 - 15 - 5395/4.7=2, 307/5.8=2...(5) HG LEU 29 - HD3 ARG 66 lone 7 81 - 9 - HB2 LEU 29 - HD3 ARG 66 lone 7 81 - 9 - HG LEU 29 - HD2 ARG 66 lone 7 80 - 9 - HB2 LEU 29 - HD2 ARG 66 lone 7 80 - 9 - HG2 ARG 23 - HD2 ARG 66 lone 7 71 - 9 - HG2 ARG 23 - HD3 ARG 66 lone 7 71 - 9 - HB2 LEU 29 - HD3 ARG 70 lone 6 65 - 9 - HG LEU 29 - HD3 ARG 70 lone 5 65 - 8 - 1499/3.0=1 HB2 LEU 29 - HD2 ARG 70 lone 5 62 - 8 - HG LEU 29 - HD2 ARG 70 lone 5 62 - 8 - 1499/3.0=1 HB2 ARG 82 - HD2 ARG 23 poor 5 42 - 11 - 5480/2.9=2, 5889/1.8=2 HB2 ARG 82 - HD3 ARG 23 poor 5 42 - 11 - 5480/2.9=2, 5889/1.8=2 HG2 ARG 70 - HD3 ARG 26 lone 4 48 - 9 - HG2 ARG 70 - HD2 ARG 26 lone 4 47 - 9 - HG3 ARG 66 - HD3 ARG 27 lone 4 48 - 8 - HG3 ARG 66 - HD2 ARG 27 lone 4 48 - 8 - HG2 ARG 23 - HD2 ARG 27 poor 4 28 - 15 - 1285/5.4=2, 1290=1...(6) HG2 ARG 23 - HD3 ARG 27 poor 4 28 - 15 - 1285/5.4=2, 1290=1...(6) HG3 ARG 66 - HD2 ARG 23 lone 4 42 - 9 - HG3 ARG 66 - HD3 ARG 23 lone 4 42 - 9 - HB2 LEU 43 - HD3 ARG 66 lone 3 60 - 5 - HB2 LEU 43 - HD2 ARG 66 lone 3 60 - 5 - HB3 LEU 64 - HD3 ARG 26 lone 3 55 - 5 - HB3 LEU 64 - HD3 ARG 17 lone 3 33 - 9 - 3916/5.6=1, 2627/5.0=1 HB3 LEU 64 - HD2 ARG 17 lone 3 33 - 9 - 3916/5.6=1, 2627/5.0=1 HB3 LEU 64 - HD2 ARG 26 lone 3 54 - 5 - HB3 LEU 64 - HD3 ARG 27 lone 3 48 - 6 - HB3 LEU 64 - HD2 ARG 27 lone 3 48 - 6 - HG2 ARG 23 - HD3 ARG 26 lone 2 32 - 7 - HG2 ARG 23 - HD2 ARG 26 lone 2 32 - 7 - HB2 LEU 29 - HD3 ARG 26 lone 2 38 - 6 - 5348/4.8=2 HB2 LEU 29 - HD2 ARG 26 lone 2 37 - 6 - 5348/4.8=2 HB2 ARG 82 - HD2 ARG 66 lone 2 100 - 2 - HB2 ARG 82 - HD3 ARG 66 lone 2 100 - 2 - HG2 ARG 23 - HD3 ARG 71 lone 2 32 - 6 - HB2 ARG 82 - HD3 ARG 71 lone 2 54 - 4 - HB2 LEU 29 - HD3 ARG 71 lone 2 37 - 5 - 5348/4.7=2, 307/5.8=1 HG LEU 29 - HD2 ARG 26 lone 2 37 - 5 - HG LEU 29 - HD3 ARG 26 lone 2 38 - 5 - HB3 LEU 64 - HD3 ARG 71 lone 2 54 - 3 - HB3 LYS 85 - HD3 ARG 70 lone 2 52 - 3 - HB3 LYS 13 - HD3 ARG 66 lone 2 93 - 2 - HB3 LYS 13 - HD2 ARG 66 lone 2 93 - 2 - HB3 LYS 85 - HD2 ARG 70 lone 2 49 - 3 - HB2 LEU 43 - HD3 ARG 70 lone 2 47 - 3 - HB2 LEU 43 - HD2 ARG 70 lone 2 44 - 3 - HB2 ARG 82 - HD3 ARG 70 lone 1 89 - 2 - HB2 ARG 82 - HD2 ARG 70 lone 1 85 - 2 - HG3 ARG 66 - HD3 ARG 17 lone 1 33 - 4 - HG3 ARG 66 - HD2 ARG 17 lone 1 33 - 4 - HG2 ARG 70 - HD3 ARG 27 lone 1 41 - 3 - HG2 ARG 70 - HD2 ARG 27 lone 1 41 - 3 - HG2 ARG 23 - HD3 ARG 17 lone 1 19 - 6 - HG2 ARG 23 - HD2 ARG 17 lone 1 19 - 6 - HG LEU 29 - HD3 ARG 71 lone 1 37 - 3 - HG2 ARG 70 - HD2 ARG 17 lone 1 28 - 4 - HG2 ARG 70 - HD3 ARG 17 lone 1 28 - 4 - HB3 LYS 13 - HD3 ARG 70 lone 1 78 - 1 - HB3 LYS 83 - HD3 ARG 70 lone 1 63 - 2 - HB2 ARG 82 - HD3 ARG 26 lone 1 55 - 2 - HB3 LYS 13 - HD2 ARG 70 lone 1 74 - 1 - HB2 ARG 82 - HD2 ARG 26 lone 1 54 - 2 - HB3 LYS 83 - HD2 ARG 70 lone 1 60 - 2 - HB3 LYS 83 - HD3 ARG 66 lone 1 78 - 1 - HB3 LYS 83 - HD2 ARG 66 lone 1 78 - 1 - HB2 ARG 82 - HD3 ARG 17 lone 1 33 - 3 - HB2 ARG 82 - HD2 ARG 17 lone 1 33 - 3 - HG2 ARG 23 - HD3 ARG 70 lone 1 57 - 1 - HG2 ARG 23 - HD2 ARG 70 lone 1 53 - 1 - HB2 LEU 29 - HD2 ARG 23 lone 1 28 - 3 - HB2 LEU 29 - HD3 ARG 23 lone 1 28 - 3 - HB2 ARG 82 - HD2 ARG 27 lone 1 48 - 1 - HB2 ARG 82 - HD3 ARG 27 lone 1 48 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 1 65 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 1 65 - 1 - HG LEU 29 - HD2 ARG 23 lone 1 28 - 2 - HG LEU 29 - HD3 ARG 23 lone 1 28 - 2 - HB3 LYS 85 - HD3 ARG 71 lone 1 29 - 2 - HB2 LEU 43 - HD3 ARG 26 lone 1 27 - 2 - HB2 LEU 43 - HD2 ARG 26 lone 1 26 - 2 - HB3 LYS 13 - HD3 ARG 23 lone 1 35 - 1 - HB3 LYS 13 - HD2 ARG 23 lone 1 35 - 1 - HB2 LEU 29 - HD3 ARG 27 lone 1 33 - 2 - HB2 LEU 29 - HD2 ARG 27 lone 1 33 - 2 - HG LEU 29 - HD3 ARG 27 lone 1 33 - 2 - HG LEU 29 - HD2 ARG 27 lone 1 33 - 2 - HG2 ARG 70 - HD3 ARG 23 lone 0 36 - 1 - HG2 ARG 70 - HD2 ARG 23 lone 0 36 - 1 - HB2 LEU 43 - HD3 ARG 71 lone 0 26 - 2 - HB3 LYS 13 - HD3 ARG 71 lone 0 46 - 1 - HB3 LYS 83 - HD3 ARG 71 lone 0 36 - 1 - HB3 LYS 13 - HD3 ARG 26 lone 0 47 - 1 - HB3 LYS 13 - HD2 ARG 26 lone 0 46 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 37 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 0 36 - 1 - HB2 LEU 29 - HD3 ARG 17 lone 0 22 - 1 - HB2 LEU 29 - HD2 ARG 17 lone 0 22 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 0 29 - 1 - HG LEU 29 - HD3 ARG 17 lone 0 22 - 1 - HG LEU 29 - HD2 ARG 17 lone 0 22 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 0 29 - 1 - HB3 LYS 13 - HD3 ARG 27 lone 0 40 - 1 - HB3 LYS 13 - HD2 ARG 27 lone 0 40 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 0 27 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 0 27 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 31 - 1 - HB3 LYS 83 - HD3 ARG 27 lone 0 31 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 0 19 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 0 19 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 0 23 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 0 23 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 0 21 - 1 - HB3 LYS 83 - HD2 ARG 17 lone 0 21 - 1 - HB3 LYS 85 - HD3 ARG 17 lone 0 17 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 0 17 - 1 - HB3 LYS 13 - HD3 ARG 17 lone 0 28 - 1 - HB3 LYS 13 - HD2 ARG 17 lone 0 28 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 0 25 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 0 25 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 0 22 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 0 22 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 0 15 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 0 15 - 1 - Peak 2728 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 7 out of 13 assignments used, quality = 1.00: HD3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 77 77 - 100 HD2 ARG 70 + HD2 ARG 70 OK 69 69 - 100 HD3 ARG 71 + HD3 ARG 71 OK 49 49 - 100 HD3 ARG 26 + HD3 ARG 26 OK 47 47 - 100 HD2 ARG 26 + HD2 ARG 26 OK 45 45 - 100 HD3 ARG 27 - HD3 ARG 27 OK 34 34 - 100 HD2 ARG 27 - HD2 ARG 27 OK 34 34 - 100 HD2 ARG 23 - HD2 ARG 23 OK 25 25 - 100 HD3 ARG 23 - HD3 ARG 23 OK 25 25 - 100 HD2 ARG 17 - HD2 ARG 17 OK 15 15 - 100 HD3 ARG 17 - HD3 ARG 17 OK 15 15 - 100 Reference assignment not found: HD2 ARG 66 - HD3 ARG 66 Peak 2729 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 7 out of 13 assignments used, quality = 1.00: * HD3 ARG 66 + HD3 ARG 66 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 73 73 - 100 HD2 ARG 70 + HD2 ARG 70 OK 66 66 - 100 HD3 ARG 26 + HD3 ARG 26 OK 49 49 - 100 HD2 ARG 26 + HD2 ARG 26 OK 47 47 - 100 HD3 ARG 71 + HD3 ARG 71 OK 47 47 - 100 HD3 ARG 27 - HD3 ARG 27 OK 36 36 - 100 HD2 ARG 27 - HD2 ARG 27 OK 36 36 - 100 HD2 ARG 23 - HD2 ARG 23 OK 27 27 - 100 HD3 ARG 23 - HD3 ARG 23 OK 27 27 - 100 HD2 ARG 17 - HD2 ARG 17 OK 17 17 - 100 HD3 ARG 17 - HD3 ARG 17 OK 17 17 - 100 Peak 2730 from cnoeabs.peaks (7.93, 4.48, 57.73 ppm; 3.45 A): 1 out of 12 assignments used, quality = 1.00: * H ASP 67 + HA ASP 67 OK 100 100 - 100 - 3.0=100 H ARG 70 - HA ASP 67 OK 38 78 - 49 - 4792=14, 5826/3.6=7...(14) H ASP 67 - HA ASP 46 OK 21 90 - 23 - 748=7, 3.9/2735=3...(9) H LYS 32 - HA ASP 67 OK 13 97 - 13 - 2734/3.0=2, 2738/3.0=2 H LEU 29 - HA ASP 67 lone 7 81 - 8 - 284/3.6=1, 4.6/6057=1 H ARG 70 - HA ASP 46 lone 6 64 - 9 - 4792=2, 4.6/5838=1...(4) H ILE 33 - HA ASP 67 lone 4 71 - 6 - ~1644=1 H VAL 76 - HA ASP 67 lone 3 60 - 6 - 284/3.6=1 H LYS 32 - HA ASP 46 lone 2 84 - 3 - H LEU 29 - HA ASP 46 lone 2 66 - 2 - H ILE 33 - HA ASP 46 lone 1 57 - 2 - H VAL 76 - HA ASP 46 lone 1 48 - 1 - Peak 2731 from cnoeabs.peaks (4.48, 4.48, 57.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 67 + HA ASP 67 OK 100 100 - 100 HA ASP 46 + HA ASP 46 OK 76 76 - 100 Peak 2732 from cnoeabs.peaks (2.90, 4.48, 57.73 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASP 67 + HA ASP 67 OK 100 100 - 100 - 3.0=100 HB2 ASN 49 - HA ASP 46 OK 43 90 - 48 - 4488=9, 1.8/5360=9...(13) HB2 ASN 49 - HA ASP 67 OK 35 100 - 35 - 4488=7, 1.8/5360=6...(11) HB3 PHE 35 - HA ASP 67 OK 29 95 - 31 - 1.8/2733=7, 2740/3.0=5...(13) HB3 PHE 48 - HA ASP 46 OK 21 76 - 28 - 4.3/4489=6, 2149/3.0=5...(6) HB2 ASP 67 - HA ASP 46 OK 20 90 - 22 - 2735=6, 1.8/2739=5...(9) HB3 PHE 48 - HA ASP 67 OK 11 90 - 12 - 4.3/4489=3 HB3 PHE 35 - HA ASP 46 lone 3 81 - 4 - Peak 2733 from cnoeabs.peaks (2.84, 4.48, 57.73 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASP 67 + HA ASP 67 OK 100 100 - 100 - 3.0=100 HB2 PHE 35 - HA ASP 67 OK 34 95 - 36 - 2737/3.0=7, 750/3.0=6...(13) HB3 ASP 67 - HA ASP 46 OK 21 90 - 23 - 2739=7, 1.8/2735=6...(9) HB2 PHE 35 - HA ASP 46 lone 2 81 - 3 - HB2 ASN 74 - HA ASP 67 lone 1 65 - 2 - HB2 ASN 74 - HA ASP 46 lone 0 53 - 1 - Peak 2734 from cnoeabs.peaks (7.93, 2.90, 41.70 ppm; 3.49 A): 2 out of 6 assignments used, quality = 0.88: * H ASP 67 + HB2 ASP 67 OK 85 100 - 85 - 3.9=70, 750/1.8=30...(7) H ARG 70 + HB2 ASP 67 OK 21 78 - 27 - 4792/3.0=10, 5826/4.6=6...(6) H LYS 32 - HB2 ASP 67 lone 9 97 - 9 - 2738/1.8=2, 2730/3.0=2 H LEU 29 - HB2 ASP 67 lone 5 81 - 6 - 2738/1.8=1, 284/4.6=1 H VAL 76 - HB2 ASP 67 lone 3 60 - 5 - 2738/1.8=1 H ILE 33 - HB2 ASP 67 lone 2 71 - 3 - Peak 2735 from cnoeabs.peaks (4.48, 2.90, 41.70 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 67 + HB2 ASP 67 OK 100 100 - 100 - 3.0=100 HA ASP 46 - HB2 ASP 67 OK 24 90 - 26 - 2739/1.8=6, 2732=4...(11) HA ASP 24 - HB2 ASP 67 lone 8 97 - 8 - 2739/1.8=2, 748/3.9=1 HA PRO 14 - HB2 ASP 67 lone 5 78 - 6 - 748/3.9=2, 2739/1.8=1, 285/4.6=1 HA TYR 81 - HB2 ASP 67 lone 3 89 - 3 - HA SER 22 - HB2 ASP 67 lone 1 60 - 1 - Peak 2736 from cnoeabs.peaks (2.90, 2.90, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 67 + HB2 ASP 67 OK 100 100 - 100 Peak 2737 from cnoeabs.peaks (2.84, 2.90, 41.70 ppm; 2.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 67 + HB2 ASP 67 OK 100 100 - 100 - 1.8=100 HB2 PHE 35 - HB2 ASP 67 OK 29 95 - 30 - 1744=6, 2.6/4537=4...(12) HB2 ASN 74 - HB2 ASP 67 lone 0 65 - 1 - Peak 2738 from cnoeabs.peaks (7.93, 2.84, 41.70 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.89: * H ASP 67 + HB3 ASP 67 OK 86 100 - 86 - 3.9=72, 749/1.8=27...(7) H ARG 70 + HB3 ASP 67 OK 19 78 - 24 - 4792/3.0=10, 5826/4.6=6...(4) H LYS 32 - HB3 ASP 67 lone 9 97 - 9 - 2734/1.8=3, 2730/3.0=2 H LEU 29 - HB3 ASP 67 lone 5 81 - 6 - 2734/1.8=1, 284/4.6=1 H VAL 76 - HB3 ASP 67 lone 3 60 - 6 - H ILE 33 - HB3 ASP 67 lone 2 71 - 3 - Peak 2739 from cnoeabs.peaks (4.48, 2.84, 41.70 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 67 + HB3 ASP 67 OK 100 100 - 100 - 3.0=100 HA ASP 46 - HB3 ASP 67 OK 23 90 - 25 - 2733=7, 2735/1.8=6...(10) HA ASP 24 - HB3 ASP 67 lone 7 97 - 7 - 2735/1.8=2, 748/3.9=1 HA PRO 14 - HB3 ASP 67 lone 5 78 - 6 - 748/3.9=2, 285/4.6=1, 2735/1.8=1 HA TYR 81 - HB3 ASP 67 lone 3 89 - 3 - HA SER 22 - HB3 ASP 67 lone 1 60 - 1 - Peak 2740 from cnoeabs.peaks (2.90, 2.84, 41.70 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 67 + HB3 ASP 67 OK 100 100 - 100 - 1.8=100 HB3 PHE 35 - HB3 ASP 67 OK 27 95 - 29 - 1749=7, 2.6/4536=4...(13) HB2 ASN 49 - HB3 ASP 67 OK 16 100 - 16 - 4488/3.0=3, ~5360=2...(5) HB3 PHE 48 - HB3 ASP 67 lone 4 90 - 4 - Peak 2741 from cnoeabs.peaks (2.84, 2.84, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 67 + HB3 ASP 67 OK 100 100 - 100 Peak 2742 from cnoeabs.peaks (8.44, 3.51, 65.41 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 68 + HA ILE 68 OK 100 100 - 100 - 3.0=100 H GLU 87 - HA ILE 68 OK 31 93 - 33 - 2749/3.0=7, 2756/3.2=5...(10) H ALA 20 - HA ILE 68 OK 28 92 - 30 - 2749/3.0=6, 2756/3.2=5...(9) Peak 2743 from cnoeabs.peaks (3.51, 3.51, 65.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + HA ILE 68 OK 100 100 - 100 Peak 2744 from cnoeabs.peaks (1.90, 3.51, 65.41 ppm; 3.50 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 68 + HA ILE 68 OK 100 100 - 100 - 3.0=100 HG12 ILE 40 + HA ILE 68 OK 65 99 - 66 - ~5249=10, ~5246=8...(24) HG13 ILE 68 + HA ILE 68 OK 60 65 - 91 - 4.0=65, 1.8/2764=29...(18) HB3 PRO 14 - HA ILE 68 OK 16 97 - 16 - 2758/3.2=2, 290/3.6=2...(8) HB3 GLU 87 - HA ILE 68 OK 13 97 - 13 - 4.0/2742=4, ~3555=1...(4) HB2 ARG 66 - HA ILE 68 OK 13 81 - 16 - 753/3.0=3, ~5809=2...(7) HB3 PRO 34 - HA ILE 68 OK 11 76 - 14 - ~5249=2, 1.8/4748=2...(4) HB2 GLU 19 - HA ILE 68 OK 11 95 - 11 - 4.6/2742=3 HB3 ARG 26 - HA ILE 68 lone 6 90 - 7 - HB2 ARG 26 - HA ILE 68 lone 6 89 - 7 - HB2 MET 11 - HA ILE 68 lone 3 96 - 3 - HB2 GLN 91 - HA ILE 68 lone 2 100 - 2 - Peak 2745 from cnoeabs.peaks (0.81, 3.51, 65.41 ppm; 3.22 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 68 + HA ILE 68 OK 100 100 - 100 - 3.2=100 QD1 ILE 68 + HA ILE 68 OK 50 63 - 80 - 4.1=47, 2.1/2764=23...(17) QG1 VAL 41 - HA ILE 68 OK 41 95 - 43 - 2752/3.0=5, 2.1/2746=5...(16) QD1 ILE 89 - HA ILE 68 lone 10 100 - 10 - 291/3.6=1, 2752/3.0=1, 754/3.0=1 QD1 LEU 43 - HA ILE 68 poor 9 81 - 11 - 754/3.0=2, 2752/3.0=1 QD2 LEU 86 - HA ILE 68 lone 6 73 - 8 - 4.9/2742=2 Peak 2746 from cnoeabs.peaks (0.92, 3.51, 65.41 ppm; 3.50 A): 3 out of 10 assignments used, quality = 0.98: * HG12 ILE 68 + HA ILE 68 OK 90 100 - 90 - 4.0=66, 2.1/2748=15...(19) QG2 ILE 40 + HA ILE 68 OK 69 98 - 70 - 5616/3.0=11, 4298/3.2=9...(28) QG2 VAL 41 + HA ILE 68 OK 49 93 - 52 - 2.1/2748=8, 1982/3.2=7...(17) QG2 VAL 76 - HA ILE 68 OK 16 100 - 16 - 292/3.6=3, 755/3.0=2...(7) QG1 VAL 76 - HA ILE 68 OK 16 100 - 16 - 292/3.6=3, 755/3.0=2...(7) QD2 LEU 62 - HA ILE 68 OK 13 98 - 13 - 3910/3.6=2, 2760/3.2=2...(6) QD2 LEU 43 - HA ILE 68 poor 9 73 - 12 - 2.1/2745=2, 2760/3.2=1...(4) HG LEU 51 - HA ILE 68 lone 2 60 - 4 - QG1 VAL 90 - HA ILE 68 lone 2 81 - 2 - QG2 VAL 90 - HA ILE 68 lone 2 78 - 2 - Peak 2747 from cnoeabs.peaks (1.92, 3.51, 65.41 ppm; 3.49 A): 4 out of 9 assignments used, quality = 0.99: * HG13 ILE 68 + HA ILE 68 OK 91 100 - 91 - 4.0=65, 1.8/2764=29...(18) HB ILE 68 + HA ILE 68 OK 65 65 - 100 - 3.0=100 HG12 ILE 40 + HA ILE 68 OK 54 85 - 64 - ~5249=10, ~5246=8...(24) HB VAL 41 + HA ILE 68 OK 49 99 - 50 - 2.1/2748=8, 1972/3.2=8...(16) HB3 ARG 66 - HA ILE 68 OK 16 87 - 19 - 756/3.0=4, ~5809=2...(7) HB3 GLU 87 - HA ILE 68 OK 12 90 - 13 - 4.0/2742=4, ~3555=1, ~3558=1 HB2 GLU 19 - HA ILE 68 OK 10 93 - 11 - 4.6/2742=3 HB2 MET 31 - HA ILE 68 lone 5 96 - 5 - 756/3.0=1 HB2 GLN 91 - HA ILE 68 lone 1 65 - 2 - Peak 2748 from cnoeabs.peaks (0.78, 3.51, 65.41 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.97: * QD1 ILE 68 + HA ILE 68 OK 87 100 - 87 - 4.1=55, 2.1/2764=25...(17) QG2 ILE 68 + HA ILE 68 OK 63 63 - 100 - 3.2=100 QG1 VAL 41 + HA ILE 68 OK 45 92 - 49 - 2755/3.0=7, 294/3.6=6...(16) Peak 2749 from cnoeabs.peaks (8.44, 1.90, 38.07 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.95: * H ILE 68 + HB ILE 68 OK 95 100 - 95 - 3.9=84, 754/2.1=17...(17) H GLU 87 - HB ILE 68 OK 36 93 - 39 - 868=7, 2770/2.9=6...(9) H ALA 20 - HB ILE 68 OK 31 92 - 34 - 2756/2.1=6, 2770/2.9=6...(9) Peak 2750 from cnoeabs.peaks (3.51, 1.90, 38.07 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + HB ILE 68 OK 100 100 - 100 - 3.0=100 Peak 2751 from cnoeabs.peaks (1.90, 1.90, 38.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 68 + HB ILE 68 OK 100 100 - 100 Peak 2752 from cnoeabs.peaks (0.81, 1.90, 38.07 ppm; 3.19 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 68 + HB ILE 68 OK 100 100 - 100 - 2.1=100 QD1 ILE 68 + HB ILE 68 OK 61 63 - 98 - 3.2=96, ~2764=10...(13) QG1 VAL 41 + HB ILE 68 OK 53 95 - 56 - 1976/2.9=6, 2766/2.9=6...(23) QD1 LEU 43 - HB ILE 68 OK 14 81 - 17 - 2766/2.9=2, 2773/2.9=1...(6) QD1 ILE 89 - HB ILE 68 OK 11 100 - 10 - 2745/3.0=1, 2766/2.9=1 QD2 LEU 86 - HB ILE 68 lone 6 73 - 8 - 4.9/2749=3 Peak 2753 from cnoeabs.peaks (0.92, 1.90, 38.07 ppm; 3.62 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 68 + HB ILE 68 OK 100 100 - 100 - 2.9=100 QG2 ILE 40 + HB ILE 68 OK 88 98 - 90 - 3.0/5246=15, 4298/2.1=13...(41) QG2 VAL 41 + HB ILE 68 OK 67 93 - 72 - 1982/2.1=10, 2.1/2755=9...(29) QD2 LEU 62 - HB ILE 68 OK 22 98 - 22 - 2760/2.1=2, ~4759=2...(8) QG2 VAL 76 - HB ILE 68 OK 21 100 - 21 - 292/4.4=2, 2760/2.1=2...(8) QG1 VAL 76 - HB ILE 68 OK 21 100 - 21 - 292/4.4=2, 2760/2.1=2...(8) QD2 LEU 43 - HB ILE 68 OK 15 73 - 21 - 2.1/2752=2, 2760/2.1=2...(6) HG LEU 51 - HB ILE 68 lone 5 60 - 8 - 2.1/5178=1, ~4520=1 QG1 VAL 90 - HB ILE 68 lone 3 81 - 4 - QG2 VAL 90 - HB ILE 68 lone 3 78 - 3 - Peak 2754 from cnoeabs.peaks (1.92, 1.90, 38.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HB ILE 68 + HB ILE 68 OK 65 65 - 100 Reference assignment not found: HG13 ILE 68 - HB ILE 68 Peak 2755 from cnoeabs.peaks (0.78, 1.90, 38.07 ppm; 3.30 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HB ILE 68 OK 100 100 - 100 - 3.2=100 QG2 ILE 68 + HB ILE 68 OK 63 63 - 100 - 2.1=100 QG1 VAL 41 + HB ILE 68 OK 55 92 - 59 - 2776/2.9=7, 2769/2.9=7...(22) Peak 2756 from cnoeabs.peaks (8.44, 0.81, 17.06 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 68 + QG2 ILE 68 OK 100 100 - 100 - 4.0=100 H GLU 87 - QG2 ILE 68 OK 39 93 - 41 - 2749/2.1=9, 2770/3.2=7...(7) H ALA 20 - QG2 ILE 68 OK 36 92 - 39 - 2749/2.1=8, 2770/3.2=7...(8) Peak 2757 from cnoeabs.peaks (3.51, 0.81, 17.06 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + QG2 ILE 68 OK 100 100 - 100 - 3.2=100 Peak 2758 from cnoeabs.peaks (1.90, 0.81, 17.06 ppm; 3.16 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 68 + QG2 ILE 68 OK 100 100 - 100 - 2.1=100 HG12 ILE 40 + QG2 ILE 68 OK 76 99 - 77 - 2.1/5249=22, 2.9/4753=10...(31) HG13 ILE 68 + QG2 ILE 68 OK 65 65 - 99 - 3.2=97, 1.8/2760=12...(14) HB3 PRO 14 - QG2 ILE 68 OK 21 97 - 21 - 3.0/4751=2, 2779/2.9=2...(9) HB2 ARG 66 - QG2 ILE 68 OK 16 81 - 20 - 4.6/5803=3, 753/4.0=2...(5) HB3 PRO 34 - QG2 ILE 68 OK 14 76 - 18 - 2.3/5249=6, ~5246=2...(5) HB3 GLU 87 - QG2 ILE 68 lone 10 97 - 10 - 4.0/2756=3, ~3558=1 HB2 GLU 19 - QG2 ILE 68 lone 8 95 - 8 - 4.6/2756=2 HB3 ARG 26 - QG2 ILE 68 lone 6 90 - 7 - HB2 ARG 26 - QG2 ILE 68 lone 6 89 - 7 - HB2 MET 11 - QG2 ILE 68 lone 4 96 - 5 - HB2 GLN 91 - QG2 ILE 68 lone 2 100 - 2 - Peak 2759 from cnoeabs.peaks (0.81, 0.81, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 68 + QG2 ILE 68 OK 100 100 - 100 Peak 2760 from cnoeabs.peaks (0.92, 0.81, 17.06 ppm; 2.73 A): 3 out of 10 assignments used, quality = 0.97: * HG12 ILE 68 + QG2 ILE 68 OK 79 100 - 79 - 3.2=63, 2764/3.2=12...(14) QG2 ILE 40 + QG2 ILE 68 OK 70 98 - 71 - 3.0/5249=13, 4298=10...(30) QG2 VAL 41 + QG2 ILE 68 OK 54 93 - 58 - 1982=11, 2.1/1972=6...(30) QD2 LEU 62 - QG2 ILE 68 OK 14 98 - 14 - 2753/2.1=1, ~4759=1, 2781/2.9=1 QG2 VAL 76 - QG2 ILE 68 OK 13 100 - 13 - 292/4.1=1, 2753/2.1=1 QG1 VAL 76 - QG2 ILE 68 OK 13 100 - 13 - 292/4.1=1, 2753/2.1=1 QD2 LEU 43 - QG2 ILE 68 OK 11 73 - 15 - 2042=1 HG LEU 51 - QG2 ILE 68 lone 2 60 - 4 - QG1 VAL 90 - QG2 ILE 68 lone 1 81 - 2 - QG2 VAL 90 - QG2 ILE 68 lone 1 78 - 2 - Peak 2761 from cnoeabs.peaks (1.92, 0.81, 17.06 ppm; 3.24 A): 4 out of 9 assignments used, quality = 1.00: * HG13 ILE 68 + QG2 ILE 68 OK 100 100 - 100 - 3.2=100 HB VAL 41 + QG2 ILE 68 OK 68 99 - 68 - 1972=12, 2.1/1982=9...(30) HG12 ILE 40 + QG2 ILE 68 OK 66 85 - 77 - 2.1/5249=23, 2.9/4753=11...(30) HB ILE 68 + QG2 ILE 68 OK 65 65 - 100 - 2.1=100 HB3 ARG 66 - QG2 ILE 68 OK 21 87 - 24 - 4.6/5803=3, 756/4.0=2...(9) HB3 GLU 87 - QG2 ILE 68 lone 9 90 - 10 - 4.0/2756=3, ~3558=1 HB2 MET 31 - QG2 ILE 68 lone 9 96 - 9 - HB2 GLU 19 - QG2 ILE 68 lone 8 93 - 9 - 4.6/2756=2 HB2 GLN 91 - QG2 ILE 68 lone 1 65 - 1 - Peak 2762 from cnoeabs.peaks (0.78, 0.81, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: QG2 ILE 68 + QG2 ILE 68 OK 63 63 - 100 Reference assignment not found: QD1 ILE 68 - QG2 ILE 68 Peak 2763 from cnoeabs.peaks (8.44, 0.92, 28.80 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.98: * H ILE 68 + HG12 ILE 68 OK 98 100 - 98 - 4.5=84, 3.0/2764=33...(16) H GLU 87 - HG12 ILE 68 OK 38 93 - 40 - 2770/1.8=10, 2777/2.1=8...(7) H ALA 20 - HG12 ILE 68 OK 35 92 - 38 - 2770/1.8=9, 2777/2.1=8...(9) Peak 2764 from cnoeabs.peaks (3.51, 0.92, 28.80 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 68 + HG12 ILE 68 OK 99 100 - 99 - 4.0=99 Peak 2765 from cnoeabs.peaks (1.90, 0.92, 28.80 ppm; 3.42 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 68 + HG12 ILE 68 OK 100 100 - 100 - 2.9=100 HG12 ILE 40 + HG12 ILE 68 OK 77 99 - 79 - ~5247=14, ~5249=10...(29) HG13 ILE 68 + HG12 ILE 68 OK 65 65 - 100 - 1.8=100 HB3 PRO 14 - HG12 ILE 68 OK 21 97 - 21 - 2779/2.1=3, ~5252=3...(9) HB2 ARG 66 - HG12 ILE 68 OK 20 81 - 25 - 4.0/4732=3, ~5251=2...(11) HB3 PRO 34 - HG12 ILE 68 OK 12 76 - 16 - ~5247=3, ~5249=2...(5) HB3 GLU 87 - HG12 ILE 68 OK 11 97 - 11 - 4.0/2763=3, ~3558=1 HB2 GLU 19 - HG12 ILE 68 lone 9 95 - 10 - 4.6/2763=3 HB3 ARG 26 - HG12 ILE 68 lone 7 90 - 7 - HB2 ARG 26 - HG12 ILE 68 lone 6 89 - 7 - HB2 MET 11 - HG12 ILE 68 lone 5 96 - 5 - HB2 GLN 91 - HG12 ILE 68 lone 2 100 - 2 - Peak 2766 from cnoeabs.peaks (0.81, 0.92, 28.80 ppm; 3.44 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 68 + HG12 ILE 68 OK 100 100 - 100 - 3.2=100 QG1 VAL 41 + HG12 ILE 68 OK 63 95 - 67 - 1976/1.8=9, 1978=8...(22) QD1 ILE 68 + HG12 ILE 68 OK 63 63 - 100 - 2.1=100 QD1 LEU 43 - HG12 ILE 68 OK 17 81 - 21 - ~5252=2, 2773/1.8=2...(5) QD1 ILE 89 - HG12 ILE 68 OK 12 100 - 11 - 2773/1.8=2, 2752/2.9=1 QD2 LEU 86 - HG12 ILE 68 lone 7 73 - 9 - 4.9/2763=3, ~4759=1 Peak 2767 from cnoeabs.peaks (0.92, 0.92, 28.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 68 + HG12 ILE 68 OK 100 100 - 100 Peak 2768 from cnoeabs.peaks (1.92, 0.92, 28.80 ppm; 3.35 A): 4 out of 9 assignments used, quality = 1.00: * HG13 ILE 68 + HG12 ILE 68 OK 100 100 - 100 - 1.8=100 HB VAL 41 + HG12 ILE 68 OK 67 99 - 67 - 1973=10, 1972/2.1=9...(23) HB ILE 68 + HG12 ILE 68 OK 65 65 - 100 - 2.9=100 HG12 ILE 40 + HG12 ILE 68 OK 64 85 - 75 - ~5247=13, ~5249=9...(29) HB3 ARG 66 - HG12 ILE 68 OK 24 87 - 27 - 4.0/4732=3, ~5251=2...(12) HB3 GLU 87 - HG12 ILE 68 lone 9 90 - 10 - 4.0/2763=3, ~3558=1 HB2 GLU 19 - HG12 ILE 68 lone 9 93 - 9 - 4.6/2763=3 HB2 MET 31 - HG12 ILE 68 lone 8 96 - 8 - HB2 GLN 91 - HG12 ILE 68 lone 1 65 - 2 - Peak 2769 from cnoeabs.peaks (0.78, 0.92, 28.80 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HG12 ILE 68 OK 100 100 - 100 - 2.1=100 QG2 ILE 68 + HG12 ILE 68 OK 63 63 - 100 - 3.2=100 QG1 VAL 41 + HG12 ILE 68 OK 61 92 - 67 - 2776/1.8=10, 1978=8...(22) Peak 2770 from cnoeabs.peaks (8.44, 1.92, 28.80 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.96: * H ILE 68 + HG13 ILE 68 OK 93 100 - 93 - 4.5=64, 2777/2.1=20...(20) H GLU 87 + HG13 ILE 68 OK 38 93 - 41 - 2777/2.1=7, 2763/1.8=7...(9) H ALA 20 - HG13 ILE 68 OK 34 92 - 37 - 2777/2.1=7, 2763/1.8=7...(10) Peak 2771 from cnoeabs.peaks (3.51, 1.92, 28.80 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + HG13 ILE 68 OK 100 100 - 100 - 4.0=100 Peak 2772 from cnoeabs.peaks (1.90, 1.92, 28.80 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HG13 ILE 68 + HG13 ILE 68 OK 65 65 - 100 Reference assignment not found: HB ILE 68 - HG13 ILE 68 Peak 2773 from cnoeabs.peaks (0.81, 1.92, 28.80 ppm; 3.36 A): 3 out of 6 assignments used, quality = 1.00: * QG2 ILE 68 + HG13 ILE 68 OK 100 100 - 100 - 3.2=100 QG1 VAL 41 + HG13 ILE 68 OK 63 95 - 67 - 1976=11, 2.1/1981=9...(22) QD1 ILE 68 + HG13 ILE 68 OK 63 63 - 100 - 2.1=100 QD1 LEU 43 - HG13 ILE 68 OK 15 81 - 18 - 2766/1.8=2, ~5252=2...(5) QD1 ILE 89 - HG13 ILE 68 OK 10 100 - 10 - 2766/1.8=2, 2752/2.9=1 QD2 LEU 86 - HG13 ILE 68 lone 6 73 - 9 - 4.9/2770=3 Peak 2774 from cnoeabs.peaks (0.92, 1.92, 28.80 ppm; 3.30 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 68 + HG13 ILE 68 OK 100 100 - 100 - 1.8=100 QG2 ILE 40 + HG13 ILE 68 OK 80 98 - 82 - ~5247=9, 2781/2.1=9...(41) QG2 VAL 41 + HG13 ILE 68 OK 64 93 - 69 - 1981=11, 2.1/2776=9...(24) QD2 LEU 62 - HG13 ILE 68 OK 18 98 - 19 - ~4759=3, ~5242=2...(7) QG2 VAL 76 - HG13 ILE 68 OK 18 100 - 18 - 3.9/5817=2, 2781/2.1=2...(6) QG1 VAL 76 - HG13 ILE 68 OK 18 100 - 18 - 3.9/5817=2, 2781/2.1=2...(6) QD2 LEU 43 - HG13 ILE 68 OK 13 73 - 17 - ~5252=2, 2.1/2773=2...(6) HG LEU 51 - HG13 ILE 68 lone 3 60 - 6 - QG1 VAL 90 - HG13 ILE 68 lone 2 81 - 2 - QG2 VAL 90 - HG13 ILE 68 lone 2 78 - 2 - Peak 2775 from cnoeabs.peaks (1.92, 1.92, 28.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 68 + HG13 ILE 68 OK 100 100 - 100 Peak 2776 from cnoeabs.peaks (0.78, 1.92, 28.80 ppm; 3.33 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HG13 ILE 68 OK 100 100 - 100 - 2.1=100 QG2 ILE 68 + HG13 ILE 68 OK 63 63 - 100 - 3.2=100 QG1 VAL 41 + HG13 ILE 68 OK 61 92 - 66 - 1976=11, 2769/1.8=9...(22) Peak 2777 from cnoeabs.peaks (8.44, 0.78, 13.95 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.96: * H ILE 68 + QD1 ILE 68 OK 91 100 - 91 - 5.0=53, 2770/2.1=21...(19) H GLU 87 + QD1 ILE 68 OK 33 93 - 36 - 2770/2.1=8, 2763/2.1=7...(7) H ALA 20 + QD1 ILE 68 OK 31 92 - 34 - 2770/2.1=8, 2763/2.1=7...(8) Peak 2778 from cnoeabs.peaks (3.51, 0.78, 13.95 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + QD1 ILE 68 OK 100 100 - 100 - 4.1=100 Peak 2779 from cnoeabs.peaks (1.90, 0.78, 13.95 ppm; 3.04 A): 3 out of 12 assignments used, quality = 0.99: * HB ILE 68 + QD1 ILE 68 OK 91 100 - 91 - 3.2=84, 3.0/2748=9...(13) HG12 ILE 40 + QD1 ILE 68 OK 68 99 - 69 - 2.1/5247=20, ~5249=8...(27) HG13 ILE 68 + QD1 ILE 68 OK 65 65 - 100 - 2.1=100 HB3 PRO 14 - QD1 ILE 68 OK 22 97 - 22 - 2.3/5252=3, 2.3/5252=3...(5) HB2 ARG 66 - QD1 ILE 68 OK 15 81 - 19 - 2.8/5251=3, 2.8/5252=2...(7) HB3 PRO 34 - QD1 ILE 68 OK 11 76 - 14 - 2.3/5247=5, ~5249=2...(4) HB3 GLU 87 - QD1 ILE 68 lone 8 97 - 8 - 4.0/2777=3 HB3 ARG 26 - QD1 ILE 68 lone 7 90 - 8 - 4.6/5377=1 HB2 GLU 19 - QD1 ILE 68 lone 7 95 - 8 - 4.6/2777=2 HB2 ARG 26 - QD1 ILE 68 lone 7 89 - 8 - 4.6/5377=1 HB2 MET 11 - QD1 ILE 68 lone 4 96 - 4 - HB2 GLN 91 - QD1 ILE 68 lone 2 100 - 1 - Peak 2780 from cnoeabs.peaks (0.81, 0.78, 13.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: QD1 ILE 68 + QD1 ILE 68 OK 63 63 - 100 Reference assignment not found: QG2 ILE 68 - QD1 ILE 68 Peak 2781 from cnoeabs.peaks (0.92, 0.78, 13.95 ppm; 2.94 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 68 + QD1 ILE 68 OK 100 100 - 100 - 2.1=100 QG2 ILE 40 + QD1 ILE 68 OK 71 98 - 72 - 3.0/5247=15, 4298/2.9=7...(36) QG2 VAL 41 + QD1 ILE 68 OK 58 93 - 62 - 1982=10, 2.1/1972=7...(27) QD2 LEU 62 - QD1 ILE 68 OK 16 98 - 16 - 2.1/4759=4, 2774/2.1=1...(4) QG2 VAL 76 - QD1 ILE 68 OK 13 100 - 13 - 2774/2.1=1, 2760/2.9=1 QG1 VAL 76 - QD1 ILE 68 OK 13 100 - 13 - 2774/2.1=1, 2760/2.9=1 QD2 LEU 43 - QD1 ILE 68 OK 11 73 - 15 - 2.1/5252=3, 2760/2.9=1 HG LEU 51 - QD1 ILE 68 lone 3 60 - 5 - 3.0/4758=1 QG1 VAL 90 - QD1 ILE 68 lone 1 81 - 2 - QG2 VAL 90 - QD1 ILE 68 lone 1 78 - 2 - Peak 2782 from cnoeabs.peaks (1.92, 0.78, 13.95 ppm; 3.05 A): 4 out of 9 assignments used, quality = 1.00: * HG13 ILE 68 + QD1 ILE 68 OK 100 100 - 100 - 2.1=100 HB VAL 41 + QD1 ILE 68 OK 62 99 - 62 - 1972=11, 2.1/1982=8...(25) HB ILE 68 + QD1 ILE 68 OK 60 65 - 91 - 3.2=84, 3.0/2748=9...(12) HG12 ILE 40 + QD1 ILE 68 OK 57 85 - 68 - 2.1/5247=20, ~5249=8...(27) HB3 ARG 66 - QD1 ILE 68 OK 19 87 - 22 - 2.8/5251=3, 1.8/5974=3...(7) HB3 GLU 87 - QD1 ILE 68 lone 7 90 - 8 - 4.0/2777=3 HB2 GLU 19 - QD1 ILE 68 lone 7 93 - 7 - 4.6/2777=2 HB2 MET 31 - QD1 ILE 68 lone 6 96 - 7 - HB2 GLN 91 - QD1 ILE 68 lone 1 65 - 1 - Peak 2783 from cnoeabs.peaks (0.78, 0.78, 13.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 68 + QD1 ILE 68 OK 100 100 - 100 Peak 2784 from cnoeabs.peaks (7.98, 3.63, 59.20 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 69 + HA ARG 69 OK 100 100 - 100 - 2.9=100 H GLY 72 + HA ARG 69 OK 65 99 - 65 - 15492=31, 4.7/5837=7...(18) H LYS 73 - HA ARG 69 OK 40 93 - 43 - 4.5/15492=16, 787/3.0=4...(10) H VAL 76 - HA ARG 69 OK 37 76 - 49 - 940/2.9=5, 2792/3.0=5...(21) H ALA 63 - HA ARG 69 OK 16 100 - 16 - 295/3.6=3, 940/2.9=2...(6) H ALA 30 - HA ARG 69 OK 13 100 - 13 - 79/3.6=4, 2792/3.0=1, 2800/3.0=1 Peak 2785 from cnoeabs.peaks (3.63, 3.63, 59.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 69 + HA ARG 69 OK 100 100 - 100 Peak 2786 from cnoeabs.peaks (1.80, 3.63, 59.20 ppm; 4.02 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 69 + HA ARG 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 75 - HA ARG 69 OK 41 92 - 45 - 760/2.9=5, 4.6/3940=5...(21) HB2 LYS 73 - HA ARG 69 OK 34 83 - 42 - 4.0/2784=4, 760/2.9=4...(17) HB3 LYS 73 - HA ARG 69 OK 29 71 - 41 - 4.0/2784=4, 2.9/2789=3...(16) HB2 LYS 13 - HA ARG 69 OK 25 95 - 26 - 1.8/4819=4, 3.0/4816=2...(11) HB2 LYS 85 - HA ARG 69 OK 23 100 - 23 - 2802/3.0=2, 760/2.9=2...(7) HB3 LYS 39 - HA ARG 69 OK 20 83 - 24 - 4.4/602=5, 2802/3.0=2...(7) HB ILE 89 - HA ARG 69 OK 12 81 - 15 - 3.2/4767=2, ~5274=1...(5) HB3 LYS 32 - HA ARG 69 OK 12 60 - 19 - 4.0/3940=2, 3.0/5048=2...(8) HB2 LYS 32 - HA ARG 69 OK 12 60 - 19 - 4.0/3940=2, 3.0/5048=2...(8) HB3 ARG 84 - HA ARG 69 lone 8 100 - 8 - 297/3.6=2, 760/2.9=1 HB2 LYS 83 - HA ARG 69 lone 7 81 - 8 - HB2 PRO 34 - HA ARG 69 lone 4 76 - 5 - Peak 2787 from cnoeabs.peaks (1.39, 3.63, 59.20 ppm; 3.58 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 69 + HA ARG 69 OK 100 100 - 100 - 3.0=100 HG3 ARG 69 + HA ARG 69 OK 78 87 - 90 - 3.9=79, 763/2.9=7...(20) HG3 LYS 75 - HA ARG 69 OK 34 100 - 35 - 4.9/3940=3, 2.7/2786=3...(12) HG2 LYS 75 - HA ARG 69 OK 34 100 - 35 - 4.9/3940=3, 2.7/2786=3...(12) HG3 LYS 73 - HA ARG 69 OK 28 99 - 29 - 2.9/2786=3, 761/2.9=2...(11) HG3 LYS 39 - HA ARG 69 OK 13 97 - 13 - 2.9/2786=1, 2795/3.0=1 HG2 LYS 85 - HA ARG 69 OK 12 89 - 14 - 2.9/2786=2, 300/3.6=1...(4) HG2 LYS 13 - HA ARG 69 poor 9 60 - 15 - 3.0/4819=3, 3.0/2786=2 QB ALA 53 - HA ARG 69 lone 7 100 - 7 - QB ALA 20 - HA ARG 69 lone 6 89 - 7 - ~288=2, 763/2.9=1 QB ALA 77 - HA ARG 69 lone 5 85 - 6 - ~5433=1 QB ALA 78 - HA ARG 69 lone 3 99 - 3 - HG2 LYS 83 - HA ARG 69 lone 3 68 - 4 - Peak 2788 from cnoeabs.peaks (1.24, 3.63, 59.20 ppm; 4.09 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HA ARG 69 OK 100 100 - 100 - 3.9=100 HG13 ILE 40 + HA ARG 69 OK 76 98 - 77 - 1951=11, 2.1/1958=10...(24) QG1 VAL 65 + HA ARG 69 OK 66 99 - 67 - 2665=10, 2.1/2670=9...(23) QG2 VAL 65 - HA ARG 69 OK 37 63 - 59 - 2.1/2665=9, 2670=6...(19) HG13 ILE 33 - HA ARG 69 OK 14 81 - 17 - 2796/3.0=2, 2804/3.0=2...(6) Peak 2789 from cnoeabs.peaks (1.38, 3.63, 59.20 ppm; 3.46 A): 2 out of 13 assignments used, quality = 0.98: HB3 ARG 69 + HA ARG 69 OK 87 87 - 100 - 3.0=100 * HG3 ARG 69 + HA ARG 69 OK 85 100 - 85 - 3.9=71, 763/2.9=8...(20) HG3 LYS 75 - HA ARG 69 OK 30 95 - 32 - 2.7/2786=3, 4.9/3940=3...(12) HG2 LYS 75 - HA ARG 69 OK 30 95 - 32 - 2.7/2786=3, 4.9/3940=3...(12) HG3 LYS 73 - HA ARG 69 OK 26 97 - 27 - 2.9/2786=2, 763/2.9=2...(9) HG2 LYS 85 - HA ARG 69 OK 13 100 - 13 - 2.9/2786=2, 300/3.6=1...(4) QB ALA 20 - HA ARG 69 lone 7 100 - 7 - ~288=2, 763/2.9=1 HG3 LYS 39 - HA ARG 69 poor 7 63 - 11 - 2.9/2786=1 QB ALA 77 - HA ARG 69 lone 6 100 - 6 - ~5433=1 QB ALA 53 - HA ARG 69 lone 5 90 - 6 - HG2 LYS 83 - HA ARG 69 lone 4 99 - 4 - QB ALA 78 - HA ARG 69 lone 3 97 - 3 - QB ALA 16 - HA ARG 69 lone 1 89 - 1 - Peak 2792 from cnoeabs.peaks (7.98, 1.80, 29.46 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.97: * H ARG 69 + HB2 ARG 69 OK 93 100 - 93 - 4.0=85, 761/1.8=13...(12) H GLY 72 + HB2 ARG 69 OK 54 99 - 55 - 15492/3.0=23, 2800/1.8=8...(15) H VAL 76 - HB2 ARG 69 OK 41 76 - 54 - 341=7, 3.0/5047=6...(22) H LYS 73 - HB2 ARG 69 OK 34 93 - 37 - 3.6/5844=6, 787=5...(11) H ALA 63 - HB2 ARG 69 OK 13 100 - 13 - 295/4.3=2, 2800/1.8=2...(6) H ALA 30 - HB2 ARG 69 OK 12 100 - 12 - 79/4.3=3, 2800/1.8=2...(4) Peak 2793 from cnoeabs.peaks (3.63, 1.80, 29.46 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: * HA ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 3.0=100 HA ILE 40 + HB2 ARG 69 OK 70 100 - 70 - 3.2/4303=13, 2801/1.8=10...(25) HA VAL 65 + HB2 ARG 69 OK 56 100 - 56 - 2801/1.8=8, 759/4.0=7...(20) HD3 PRO 14 - HB2 ARG 69 OK 33 96 - 34 - 4820=8, 2801/1.8=4...(13) Peak 2794 from cnoeabs.peaks (1.80, 1.80, 29.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 69 + HB2 ARG 69 OK 100 100 - 100 Peak 2795 from cnoeabs.peaks (1.39, 1.80, 29.46 ppm; 3.34 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 1.8=100 HG3 ARG 69 + HB2 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 LYS 75 - HB2 ARG 69 OK 32 100 - 32 - 4.9/3941=3, 2787/3.0=2...(14) HG2 LYS 75 - HB2 ARG 69 OK 32 100 - 32 - 4.9/3941=3, 2787/3.0=2...(14) HG3 LYS 73 - HB2 ARG 69 OK 24 99 - 24 - 2787/3.0=2, 4.9/2792=2...(8) HG3 LYS 39 - HB2 ARG 69 OK 15 97 - 15 - ~1867=1 HG2 LYS 85 - HB2 ARG 69 OK 12 89 - 14 - ~2802=1 HG2 LYS 13 - HB2 ARG 69 poor 9 60 - 15 - 3.0/1011=2, ~4819=1, 1021=1 QB ALA 53 - HB2 ARG 69 lone 7 100 - 7 - QB ALA 20 - HB2 ARG 69 lone 4 89 - 5 - QB ALA 77 - HB2 ARG 69 lone 4 85 - 5 - QB ALA 78 - HB2 ARG 69 lone 3 99 - 3 - HG2 LYS 83 - HB2 ARG 69 lone 3 68 - 4 - Peak 2796 from cnoeabs.peaks (1.24, 1.80, 29.46 ppm; 3.81 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 3.0=100 HG13 ILE 40 + HB2 ARG 69 OK 67 98 - 68 - 3.2/4303=11, 2804/1.8=9...(26) QG1 VAL 65 + HB2 ARG 69 OK 54 99 - 55 - 2804/1.8=7, 2665/3.0=7...(22) QG2 VAL 65 - HB2 ARG 69 OK 29 63 - 46 - 3.2/2793=5, ~2804=5...(19) HG13 ILE 33 - HB2 ARG 69 OK 15 81 - 19 - 2804/1.8=2, 2820/3.0=2...(7) Peak 2797 from cnoeabs.peaks (1.38, 1.80, 29.46 ppm; 3.28 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 3.0=100 HB3 ARG 69 + HB2 ARG 69 OK 87 87 - 100 - 1.8=100 HG3 LYS 75 - HB2 ARG 69 OK 29 95 - 31 - 4.9/3941=3, 2789/3.0=2...(12) HG2 LYS 75 - HB2 ARG 69 OK 29 95 - 31 - 4.9/3941=3, 2789/3.0=2...(12) HG3 LYS 73 - HB2 ARG 69 OK 22 97 - 23 - 2789/3.0=2, 4.9/2792=2...(8) HG2 LYS 85 - HB2 ARG 69 OK 14 100 - 14 - 2789/3.0=1, ~2802=1 HG3 LYS 39 - HB2 ARG 69 poor 8 63 - 13 - ~1867=1 QB ALA 53 - HB2 ARG 69 lone 5 90 - 6 - QB ALA 77 - HB2 ARG 69 lone 5 100 - 5 - QB ALA 20 - HB2 ARG 69 lone 5 100 - 5 - HG2 LYS 83 - HB2 ARG 69 lone 5 99 - 5 - QB ALA 78 - HB2 ARG 69 lone 3 97 - 3 - QB ALA 16 - HB2 ARG 69 lone 1 89 - 1 - Peak 2799 from cnoeabs.peaks (2.03, 1.80, 29.46 ppm; 4.27 A): 3 out of 16 assignments used, quality = 1.00: * HD3 ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 3.9=100 HD2 ARG 69 + HB2 ARG 69 OK 100 100 - 100 - 3.9=100 HB VAL 76 + HB2 ARG 69 OK 53 93 - 57 - 3.0/5047=8, 4.0/3941=7...(21) HB2 GLU 50 - HB2 ARG 69 OK 34 97 - 36 - 2807/1.8=3, 3.0/5047=3...(20) HB3 GLU 50 - HB2 ARG 69 OK 34 97 - 36 - 2807/1.8=3, 3.0/5047=3...(20) HG2 ARG 66 - HB2 ARG 69 OK 14 83 - 17 - 4.1/5047=4, 3927/4.3=3...(7) HB VAL 90 - HB2 ARG 69 lone 7 96 - 7 - HG2 PRO 56 - HB2 ARG 69 lone 6 99 - 6 - HB3 GLU 19 - HB2 ARG 69 lone 6 99 - 6 - 5820/4.0=1 HB3 PRO 56 - HB2 ARG 69 lone 6 100 - 6 - HB2 GLU 25 - HB2 ARG 69 lone 5 76 - 7 - HB3 GLU 25 - HB2 ARG 69 lone 5 73 - 7 - HG2 PRO 44 - HB2 ARG 69 lone 5 89 - 5 - HB2 GLU 87 - HB2 ARG 69 lone 5 100 - 5 - 5820/4.0=1 HB3 GLN 91 - HB2 ARG 69 lone 2 97 - 2 - HB3 MET 11 - HB2 ARG 69 lone 2 73 - 3 - Peak 2800 from cnoeabs.peaks (7.98, 1.39, 29.46 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 69 + HB3 ARG 69 OK 99 100 - 99 - 4.0=98, 760/1.8=16...(12) H GLY 72 + HB3 ARG 69 OK 61 99 - 62 - 15492/3.0=26, 2792/1.8=9...(16) H VAL 76 - HB3 ARG 69 OK 42 76 - 56 - 2792/1.8=7, 3.0/4766=6...(23) H LYS 73 - HB3 ARG 69 OK 40 93 - 43 - 790=7, 787/1.8=6...(13) H ALA 63 - HB3 ARG 69 OK 15 100 - 15 - 295/4.3=3, 2792/1.8=2...(6) H ALA 30 - HB3 ARG 69 OK 13 100 - 13 - 79/4.3=3, 2792/1.8=2...(5) Peak 2801 from cnoeabs.peaks (3.63, 1.39, 29.46 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: * HA ARG 69 + HB3 ARG 69 OK 100 100 - 100 - 3.0=100 HA ILE 40 + HB3 ARG 69 OK 68 100 - 68 - 2793/1.8=10, 3.2/4302=10...(23) HA VAL 65 + HB3 ARG 69 OK 55 100 - 55 - 2793/1.8=8, 759/4.0=7...(18) HD3 PRO 14 - HB3 ARG 69 OK 28 96 - 29 - 4820/1.8=6, 759/4.0=3...(10) Peak 2802 from cnoeabs.peaks (1.80, 1.39, 29.46 ppm; 3.59 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 69 + HB3 ARG 69 OK 100 100 - 100 - 1.8=100 HB3 LYS 75 - HB3 ARG 69 OK 34 92 - 37 - 4.6/3942=4, 2786/3.0=3...(16) HB2 LYS 73 - HB3 ARG 69 OK 30 83 - 37 - 4.0/2800=3, 2818/3.0=3...(14) HB3 LYS 73 - HB3 ARG 69 OK 25 71 - 35 - 4.0/2800=3, 2818/3.0=2...(14) HB2 LYS 85 - HB3 ARG 69 OK 22 100 - 21 - 2818/3.0=2, 2786/3.0=2...(6) HB2 LYS 13 - HB3 ARG 69 OK 20 95 - 20 - ~4819=2, 2786/3.0=2...(7) HB3 LYS 39 - HB3 ARG 69 OK 18 83 - 22 - 4.4/6077=2, 2786/3.0=1...(8) HB3 LYS 32 - HB3 ARG 69 OK 11 60 - 17 - 3.0/4766=2, 4.0/3942=2...(4) HB2 LYS 32 - HB3 ARG 69 OK 11 60 - 17 - 3.0/4766=2, 4.0/3942=2...(4) HB ILE 89 - HB3 ARG 69 OK 10 81 - 12 - 3.2/5274=2 HB3 ARG 84 - HB3 ARG 69 lone 7 100 - 7 - 297/4.3=1 HB2 LYS 83 - HB3 ARG 69 lone 6 81 - 7 - HB2 PRO 34 - HB3 ARG 69 lone 3 76 - 4 - Peak 2803 from cnoeabs.peaks (1.39, 1.39, 29.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 69 + HB3 ARG 69 OK 100 100 - 100 Peak 2804 from cnoeabs.peaks (1.24, 1.39, 29.46 ppm; 3.80 A): 3 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB3 ARG 69 OK 100 100 - 100 - 3.0=100 HG13 ILE 40 + HB3 ARG 69 OK 64 98 - 66 - 2796/1.8=9, 3.2/4302=8...(25) QG1 VAL 65 + HB3 ARG 69 OK 50 99 - 51 - 2796/1.8=7, 2665/3.0=7...(19) QG2 VAL 65 - HB3 ARG 69 OK 27 63 - 44 - 3.2/2801=5, ~2796=5...(18) HG13 ILE 33 - HB3 ARG 69 OK 14 81 - 17 - 2796/1.8=2, 2820/3.0=2...(7) Peak 2805 from cnoeabs.peaks (1.38, 1.39, 29.46 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HB3 ARG 69 + HB3 ARG 69 OK 87 87 - 100 Reference assignment not found: HG3 ARG 69 - HB3 ARG 69 Peak 2807 from cnoeabs.peaks (2.03, 1.39, 29.46 ppm; 4.60 A): 3 out of 16 assignments used, quality = 1.00: * HD3 ARG 69 + HB3 ARG 69 OK 100 100 - 100 - 3.9=100 HD2 ARG 69 + HB3 ARG 69 OK 100 100 - 100 - 3.9=100 HB VAL 76 + HB3 ARG 69 OK 61 93 - 65 - 3.0/4766=8, 4.0/3942=7...(24) HB2 GLU 50 - HB3 ARG 69 OK 41 97 - 43 - 3.0/4502=5, 3.0/4938=4...(22) HB3 GLU 50 - HB3 ARG 69 OK 41 97 - 43 - 3.0/4502=5, 3.0/4938=4...(22) HG2 ARG 66 - HB3 ARG 69 OK 17 83 - 21 - 4.1/4733=9, 3927/4.3=4...(7) HB3 GLU 19 - HB3 ARG 69 lone 9 99 - 9 - 4.6/499=2, 5820/4.0=1 HB VAL 90 - HB3 ARG 69 lone 7 96 - 7 - HG2 PRO 56 - HB3 ARG 69 lone 7 99 - 7 - HB3 PRO 56 - HB3 ARG 69 lone 7 100 - 7 - HB2 GLU 25 - HB3 ARG 69 lone 6 76 - 8 - HG2 PRO 44 - HB3 ARG 69 lone 6 89 - 6 - HB3 GLU 25 - HB3 ARG 69 lone 6 73 - 8 - HB2 GLU 87 - HB3 ARG 69 lone 6 100 - 6 - 5820/4.0=1 HB3 GLN 91 - HB3 ARG 69 lone 3 97 - 3 - HB3 MET 11 - HB3 ARG 69 lone 2 73 - 3 - Peak 2808 from cnoeabs.peaks (7.98, 1.24, 27.02 ppm; 4.48 A): 2 out of 12 assignments used, quality = 0.98: * H ARG 69 + HG2 ARG 69 OK 96 100 - 96 - 4.7=87, 760/3.0=15...(17) H GLY 72 + HG2 ARG 69 OK 60 99 - 61 - 15492/3.9=27, 2816/1.8=9...(15) H VAL 76 - HG2 ARG 69 OK 44 76 - 59 - 2816/1.8=7, 2792/3.0=6...(21) H LYS 73 - HG2 ARG 69 OK 33 93 - 36 - 2816/1.8=6, 787/3.0=6...(11) H ALA 63 - HG2 ARG 69 OK 17 100 - 17 - 2816/1.8=2, 2792/3.0=2...(5) H ARG 69 - HG13 ILE 33 OK 13 63 - 21 - 762=3, 4.0/2796=2...(9) H ALA 30 - HG2 ARG 69 OK 12 100 - 12 - 2792/3.0=2, 2816/1.8=2...(4) H ALA 30 - HG13 ILE 33 poor 8 63 - 13 - 553/1.8=2, ~1683=1, ~1520=1 H ALA 63 - HG13 ILE 33 poor 7 62 - 11 - 3.6/4999=4, 4.7/4697=2 H GLY 72 - HG13 ILE 33 lone 5 60 - 8 - H LYS 73 - HG13 ILE 33 lone 3 54 - 6 - H VAL 76 - HG13 ILE 33 lone 3 41 - 6 - Peak 2809 from cnoeabs.peaks (3.63, 1.24, 27.02 ppm; 4.16 A): 3 out of 8 assignments used, quality = 1.00: * HA ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.9=100 HA ILE 40 + HG2 ARG 69 OK 71 100 - 71 - 2817/1.8=11, 1927=10...(22) HA VAL 65 + HG2 ARG 69 OK 53 100 - 53 - 2817/1.8=8, 2801/3.0=7...(18) HA VAL 65 - HG13 ILE 33 OK 39 63 - 61 - ~4727=13, ~4725=10...(15) HA ILE 40 - HG13 ILE 33 OK 22 62 - 36 - ~4224=5, 1927=4...(12) HD3 PRO 14 - HG2 ARG 69 OK 21 96 - 21 - 4820/3.0=5, 2801/3.0=3...(7) HA ARG 69 - HG13 ILE 33 OK 12 63 - 18 - 2788=2, 3.0/2796=2...(6) HD3 PRO 14 - HG13 ILE 33 lone 3 56 - 5 - Peak 2810 from cnoeabs.peaks (1.80, 1.24, 27.02 ppm; 3.56 A): 1 out of 26 assignments used, quality = 1.00: * HB2 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 75 - HG2 ARG 69 OK 28 92 - 31 - 4.6/3943=4, 2818/1.8=4...(13) HB2 PRO 34 - HG13 ILE 33 OK 27 41 - 67 - ~4851=10, ~4860=8...(26) HB2 LYS 73 - HG2 ARG 69 OK 23 83 - 28 - 2818/1.8=3, 2802/3.0=3...(10) HB3 LYS 73 - HG2 ARG 69 OK 20 71 - 28 - 2818/1.8=3, 2802/3.0=2...(8) HB ILE 89 - HG13 ILE 33 OK 19 44 - 43 - ~6122=5, ~5560=4...(20) HB2 LYS 85 - HG2 ARG 69 OK 16 100 - 16 - 2818/1.8=2, 2802/3.0=2...(4) HB3 LYS 39 - HG2 ARG 69 OK 13 83 - 16 - 4.4/606=3, 2818/1.8=2...(4) HB2 LYS 13 - HG2 ARG 69 OK 13 95 - 14 - 2802/3.0=2, 2818/1.8=2 HB2 ARG 69 - HG13 ILE 33 OK 11 63 - 17 - 2796=2, 1.8/2804=2...(5) HB3 LYS 32 - HG2 ARG 69 poor 9 60 - 15 - 4.0/3943=2, 3.0/4776=1...(6) HB2 LYS 32 - HG2 ARG 69 poor 9 60 - 15 - 4.0/3943=2, 3.0/4776=1...(6) HB2 LYS 13 - HG13 ILE 33 poor 8 55 - 15 - ~4222=2, ~1014=1...(4) HB2 LYS 32 - HG13 ILE 33 poor 8 31 - 27 - 4.3/575=6, ~5543=3...(12) HB3 LYS 32 - HG13 ILE 33 poor 8 31 - 27 - 4.3/575=6, ~5543=3...(12) HB ILE 89 - HG2 ARG 69 lone 8 81 - 10 - 2818/1.8=1 HB3 ARG 84 - HG2 ARG 69 lone 5 100 - 5 - HB2 LYS 83 - HG2 ARG 69 lone 5 81 - 6 - HB2 PRO 34 - HG2 ARG 69 lone 2 76 - 3 - HB2 LYS 85 - HG13 ILE 33 lone 2 63 - 3 - HB3 LYS 39 - HG13 ILE 33 lone 2 46 - 4 - 4.4/606=2 HB2 LYS 73 - HG13 ILE 33 lone 2 46 - 4 - HB3 LYS 75 - HG13 ILE 33 lone 2 53 - 3 - HB3 LYS 73 - HG13 ILE 33 lone 1 37 - 4 - HB3 ARG 84 - HG13 ILE 33 lone 1 63 - 1 - HB2 LYS 83 - HG13 ILE 33 lone 1 44 - 1 - Peak 2811 from cnoeabs.peaks (1.39, 1.24, 27.02 ppm; 2.96 A): 2 out of 26 assignments used, quality = 1.00: * HB3 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 HG3 ARG 69 + HG2 ARG 69 OK 87 87 - 100 - 1.8=100 HG3 LYS 75 - HG2 ARG 69 OK 20 100 - 21 - 4.9/3943=2, 2795/3.0=2...(7) HG2 LYS 75 - HG2 ARG 69 OK 20 100 - 21 - 4.9/3943=2, 2795/3.0=2...(7) HG3 LYS 73 - HG2 ARG 69 OK 15 99 - 16 - 2795/3.0=1, 2.9/2810=1...(5) HG3 LYS 39 - HG2 ARG 69 lone 8 97 - 8 - HG2 LYS 85 - HG2 ARG 69 lone 7 89 - 8 - HB3 ARG 69 - HG13 ILE 33 poor 7 63 - 11 - 2804=1, 1.8/2796=1, 3.0/2820=1 HG3 ARG 69 - HG13 ILE 33 poor 6 49 - 12 - 2820=2, 3.0/2796=1 QB ALA 53 - HG2 ARG 69 lone 5 100 - 5 - HG2 LYS 13 - HG2 ARG 69 lone 4 60 - 7 - HG2 LYS 13 - HG13 ILE 33 poor 4 31 - 12 - 1024/1.8=1, ~1683=1 QB ALA 77 - HG2 ARG 69 lone 3 85 - 4 - QB ALA 20 - HG2 ARG 69 lone 3 89 - 4 - QB ALA 78 - HG2 ARG 69 lone 2 99 - 2 - HG2 LYS 83 - HG2 ARG 69 lone 2 68 - 2 - HG3 LYS 39 - HG13 ILE 33 lone 2 58 - 3 - HG2 LYS 75 - HG13 ILE 33 lone 1 62 - 2 - HG3 LYS 75 - HG13 ILE 33 lone 1 62 - 2 - HG3 LYS 73 - HG13 ILE 33 lone 1 61 - 2 - QB ALA 53 - HG13 ILE 33 lone 1 63 - 2 - HG2 LYS 85 - HG13 ILE 33 lone 1 50 - 2 - QB ALA 20 - HG13 ILE 33 lone 0 50 - 1 - QB ALA 78 - HG13 ILE 33 lone 0 61 - 0 - HG2 LYS 83 - HG13 ILE 33 lone 0 36 - 1 - QB ALA 77 - HG13 ILE 33 lone 0 47 - 0 - Peak 2812 from cnoeabs.peaks (1.24, 1.24, 27.02 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 69 + HG2 ARG 69 OK 100 100 - 100 HG13 ILE 33 - HG13 ILE 33 OK 44 44 - 100 Peak 2813 from cnoeabs.peaks (1.38, 1.24, 27.02 ppm; 2.95 A): 2 out of 26 assignments used, quality = 1.00: * HG3 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 1.8=100 HB3 ARG 69 + HG2 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 LYS 75 - HG2 ARG 69 OK 19 95 - 20 - 4.9/3943=2, 2797/3.0=2...(7) HG2 LYS 75 - HG2 ARG 69 OK 19 95 - 20 - 4.9/3943=2, 2797/3.0=2...(7) HG3 LYS 73 - HG2 ARG 69 OK 15 97 - 16 - 2797/3.0=1, 2.9/2810=1...(5) HG2 LYS 85 - HG2 ARG 69 lone 9 100 - 9 - HG3 ARG 69 - HG13 ILE 33 poor 8 63 - 13 - 2820=2, 3.0/2796=1 HB3 ARG 69 - HG13 ILE 33 poor 5 49 - 10 - 1.8/2796=1, 3.0/2820=1, 2804=1 HG3 LYS 39 - HG2 ARG 69 lone 5 63 - 7 - QB ALA 77 - HG2 ARG 69 lone 4 100 - 4 - QB ALA 53 - HG2 ARG 69 lone 4 90 - 5 - QB ALA 20 - HG2 ARG 69 lone 4 100 - 4 - HG2 LYS 83 - HG2 ARG 69 lone 3 99 - 3 - QB ALA 78 - HG2 ARG 69 lone 2 97 - 2 - HG2 LYS 85 - HG13 ILE 33 lone 1 63 - 2 - HG3 LYS 73 - HG13 ILE 33 lone 1 57 - 2 - HG3 LYS 75 - HG13 ILE 33 lone 1 55 - 2 - HG2 LYS 75 - HG13 ILE 33 lone 1 55 - 2 - QB ALA 53 - HG13 ILE 33 lone 1 51 - 2 - QB ALA 16 - HG2 ARG 69 lone 1 89 - 1 - QB ALA 16 - HG13 ILE 33 lone 1 50 - 1 - HG3 LYS 39 - HG13 ILE 33 lone 1 33 - 2 - QB ALA 20 - HG13 ILE 33 lone 1 63 - 1 - HG2 LYS 83 - HG13 ILE 33 lone 0 60 - 1 - QB ALA 77 - HG13 ILE 33 lone 0 63 - 0 - QB ALA 78 - HG13 ILE 33 lone 0 57 - 0 - Peak 2814 from cnoeabs.peaks (2.03, 1.24, 27.02 ppm; 4.04 A): 3 out of 32 assignments used, quality = 1.00: * HD2 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 HD3 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 HB VAL 76 + HG2 ARG 69 OK 48 93 - 52 - 4.0/3943=6, 2822/1.8=5...(23) HB3 GLU 50 - HG2 ARG 69 OK 30 97 - 31 - 2823/1.8=3, 2799/3.0=2...(15) HB2 GLU 50 - HG2 ARG 69 OK 30 97 - 31 - 2823/1.8=3, 2799/3.0=2...(15) HG2 ARG 66 - HG2 ARG 69 OK 12 83 - 14 - 4.9/274=3, 4.1/4776=2...(6) HD3 ARG 69 - HG13 ILE 33 OK 11 63 - 17 - 3.0/2820=2, 3.9/2796=2...(7) HD2 ARG 69 - HG13 ILE 33 OK 11 63 - 17 - 3.0/2820=2, 3.9/2796=2...(7) HB3 GLU 19 - HG2 ARG 69 lone 6 99 - 6 - HB3 PRO 56 - HG2 ARG 69 lone 6 100 - 5 - HG2 PRO 56 - HG2 ARG 69 lone 6 99 - 5 - HB VAL 90 - HG2 ARG 69 lone 5 96 - 5 - HB2 GLU 25 - HG2 ARG 69 lone 5 76 - 6 - HG2 PRO 44 - HG2 ARG 69 lone 5 89 - 5 - HB3 GLU 25 - HG2 ARG 69 lone 4 73 - 6 - HB2 GLU 87 - HG2 ARG 69 lone 4 100 - 4 - HG2 PRO 44 - HG13 ILE 33 lone 4 50 - 8 - ~4224=2, ~4403=1, ~4400=1 HB3 GLU 50 - HG13 ILE 33 lone 4 58 - 7 - ~4503=2, ~4227=1 HB2 GLU 50 - HG13 ILE 33 lone 4 58 - 7 - ~4503=2, ~4227=1 HG2 ARG 66 - HG13 ILE 33 lone 4 46 - 8 - ~4222=2, 4.9/274=1...(4) HB VAL 76 - HG13 ILE 33 lone 2 54 - 4 - HB3 MET 11 - HG2 ARG 69 lone 2 73 - 3 - HB3 GLN 91 - HG2 ARG 69 lone 2 97 - 2 - HB2 GLU 87 - HG13 ILE 33 lone 1 63 - 2 - HB3 GLU 19 - HG13 ILE 33 lone 1 60 - 1 - HB VAL 90 - HG13 ILE 33 lone 1 56 - 1 - HB2 GLU 25 - HG13 ILE 33 lone 1 41 - 2 - HB3 PRO 56 - HG13 ILE 33 lone 1 63 - 1 - HB3 GLU 25 - HG13 ILE 33 lone 1 39 - 2 - HG2 PRO 56 - HG13 ILE 33 lone 1 61 - 1 - HB3 MET 11 - HG13 ILE 33 lone 1 39 - 1 - HB3 GLN 91 - HG13 ILE 33 lone 1 58 - 1 - Peak 2815 from cnoeabs.peaks (2.03, 1.24, 27.02 ppm; 4.04 A): 3 out of 32 assignments used, quality = 1.00: HD2 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 * HD3 ARG 69 + HG2 ARG 69 OK 100 100 - 100 - 3.0=100 HB VAL 76 + HG2 ARG 69 OK 48 93 - 52 - 4.0/3943=6, 2822/1.8=5...(23) HB3 GLU 50 - HG2 ARG 69 OK 30 97 - 31 - 2823/1.8=3, 2799/3.0=2...(15) HB2 GLU 50 - HG2 ARG 69 OK 30 97 - 31 - 2823/1.8=3, 2799/3.0=2...(15) HG2 ARG 66 - HG2 ARG 69 OK 12 83 - 14 - 4.9/274=3, 4.1/4776=2...(6) HD3 ARG 69 - HG13 ILE 33 OK 11 63 - 17 - 3.0/2820=2, 3.9/2796=2...(7) HD2 ARG 69 - HG13 ILE 33 OK 11 63 - 17 - 3.0/2820=2, 3.9/2796=2...(7) HB3 GLU 19 - HG2 ARG 69 lone 6 99 - 6 - HB3 PRO 56 - HG2 ARG 69 lone 6 100 - 5 - HG2 PRO 56 - HG2 ARG 69 lone 6 99 - 5 - HB VAL 90 - HG2 ARG 69 lone 5 96 - 5 - HB2 GLU 25 - HG2 ARG 69 lone 5 76 - 6 - HG2 PRO 44 - HG2 ARG 69 lone 5 89 - 5 - HB3 GLU 25 - HG2 ARG 69 lone 4 73 - 6 - HB2 GLU 87 - HG2 ARG 69 lone 4 100 - 4 - HG2 PRO 44 - HG13 ILE 33 lone 4 50 - 8 - ~4224=2, ~4403=1, ~4400=1 HB3 GLU 50 - HG13 ILE 33 lone 4 58 - 7 - ~4503=2, ~4227=1 HB2 GLU 50 - HG13 ILE 33 lone 4 58 - 7 - ~4503=2, ~4227=1 HG2 ARG 66 - HG13 ILE 33 lone 4 46 - 8 - ~4222=2, 4.9/274=1...(4) HB VAL 76 - HG13 ILE 33 lone 2 54 - 4 - HB3 MET 11 - HG2 ARG 69 lone 2 73 - 3 - HB3 GLN 91 - HG2 ARG 69 lone 2 97 - 2 - HB2 GLU 87 - HG13 ILE 33 lone 1 63 - 2 - HB3 GLU 19 - HG13 ILE 33 lone 1 60 - 1 - HB VAL 90 - HG13 ILE 33 lone 1 56 - 1 - HB2 GLU 25 - HG13 ILE 33 lone 1 41 - 2 - HB3 PRO 56 - HG13 ILE 33 lone 1 63 - 1 - HB3 GLU 25 - HG13 ILE 33 lone 1 39 - 2 - HG2 PRO 56 - HG13 ILE 33 lone 1 61 - 1 - HB3 MET 11 - HG13 ILE 33 lone 1 39 - 1 - HB3 GLN 91 - HG13 ILE 33 lone 1 58 - 1 - Peak 2816 from cnoeabs.peaks (7.98, 1.38, 27.02 ppm; 4.43 A): 3 out of 6 assignments used, quality = 0.99: * H ARG 69 + HG3 ARG 69 OK 95 100 - 95 - 4.7=85, 762/1.8=16...(15) H GLY 72 + HG3 ARG 69 OK 63 99 - 64 - 15492/3.9=27, 2792/3.0=8...(16) H VAL 76 + HG3 ARG 69 OK 48 76 - 63 - 2792/3.0=6, 5066=6...(24) H LYS 73 - HG3 ARG 69 OK 40 93 - 43 - 787/3.0=6, 790=5...(13) H ALA 63 - HG3 ARG 69 OK 16 100 - 15 - 2808/1.8=2, 2792/3.0=2...(5) H ALA 30 - HG3 ARG 69 OK 12 100 - 12 - 2792/3.0=2, 2800/3.0=2...(4) Peak 2817 from cnoeabs.peaks (3.63, 1.38, 27.02 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.9=100 HA ILE 40 + HG3 ARG 69 OK 60 100 - 60 - 2809/1.8=8, 2793/3.0=8...(21) HA VAL 65 - HG3 ARG 69 OK 44 100 - 44 - 2801/3.0=6, 2793/3.0=6...(15) HD3 PRO 14 - HG3 ARG 69 OK 18 96 - 18 - 4820/3.0=4, 2801/3.0=3...(6) Peak 2818 from cnoeabs.peaks (1.80, 1.38, 27.02 ppm; 3.95 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.0=100 HB3 LYS 75 - HG3 ARG 69 OK 35 92 - 38 - 4.6/3944=5, 2802/3.0=4...(16) HB2 LYS 73 - HG3 ARG 69 OK 32 83 - 39 - 2802/3.0=3, 4.0/2816=3...(17) HB3 LYS 73 - HG3 ARG 69 OK 26 71 - 37 - 4.0/2816=3, 2802/3.0=3...(17) HB2 LYS 85 - HG3 ARG 69 OK 23 100 - 23 - 2802/3.0=2, 2810/1.8=2...(5) HB2 LYS 13 - HG3 ARG 69 OK 17 95 - 18 - 2802/3.0=2, 2786/3.9=2...(7) HB3 LYS 39 - HG3 ARG 69 OK 17 83 - 20 - 2802/3.0=2, 2810/1.8=2...(4) HB3 LYS 32 - HG3 ARG 69 OK 11 60 - 18 - 4.0/3944=2, 3.0/4777=2...(7) HB2 LYS 32 - HG3 ARG 69 OK 11 60 - 18 - 4.0/3944=2, 3.0/4777=2...(7) HB ILE 89 - HG3 ARG 69 OK 10 81 - 12 - ~5274=1, ~5821=1...(4) HB3 ARG 84 - HG3 ARG 69 lone 7 100 - 7 - HB2 LYS 83 - HG3 ARG 69 lone 7 81 - 8 - HB2 PRO 34 - HG3 ARG 69 lone 3 76 - 4 - Peak 2819 from cnoeabs.peaks (1.39, 1.38, 27.02 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HG3 ARG 69 + HG3 ARG 69 OK 87 87 - 100 Reference assignment not found: HB3 ARG 69 - HG3 ARG 69 Peak 2820 from cnoeabs.peaks (1.24, 1.38, 27.02 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 1.8=100 HG13 ILE 40 - HG3 ARG 69 OK 43 98 - 44 - 2804/3.0=5, 2796/3.0=5...(19) QG1 VAL 65 - HG3 ARG 69 OK 36 99 - 36 - 4718/4784=4, 2796/3.0=4...(15) QG2 VAL 65 - HG3 ARG 69 OK 19 63 - 30 - 3.2/2817=4, 2670/3.9=2...(13) HG13 ILE 33 - HG3 ARG 69 OK 11 81 - 14 - 2813=1, 2796/3.0=1...(4) Peak 2821 from cnoeabs.peaks (1.38, 1.38, 27.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 69 + HG3 ARG 69 OK 100 100 - 100 Peak 2822 from cnoeabs.peaks (2.03, 1.38, 27.02 ppm; 4.11 A): 3 out of 16 assignments used, quality = 1.00: HD3 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.0=100 * HD2 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.0=100 HB VAL 76 + HG3 ARG 69 OK 52 93 - 56 - 4.0/3944=6, 2.1/4778=5...(26) HB2 GLU 50 - HG3 ARG 69 OK 37 97 - 38 - 3.9/4501=4, 3.0/4502=3...(19) HB3 GLU 50 - HG3 ARG 69 OK 37 97 - 38 - 3.9/4501=4, 3.0/4502=3...(19) HG2 ARG 66 - HG3 ARG 69 OK 12 83 - 15 - 4.1/4733=5, 5820/4.7=1...(6) HB3 GLU 19 - HG3 ARG 69 lone 8 99 - 8 - 4.6/499=1 HB3 PRO 56 - HG3 ARG 69 lone 6 100 - 6 - HB VAL 90 - HG3 ARG 69 lone 6 96 - 6 - HG2 PRO 56 - HG3 ARG 69 lone 6 99 - 6 - HB2 GLU 25 - HG3 ARG 69 lone 6 76 - 7 - HB3 GLU 25 - HG3 ARG 69 lone 5 73 - 7 - HG2 PRO 44 - HG3 ARG 69 lone 5 89 - 6 - HB2 GLU 87 - HG3 ARG 69 lone 5 100 - 5 - HB3 GLN 91 - HG3 ARG 69 lone 2 97 - 2 - HB3 MET 11 - HG3 ARG 69 lone 2 73 - 3 - Peak 2823 from cnoeabs.peaks (2.03, 1.38, 27.02 ppm; 4.11 A): 3 out of 16 assignments used, quality = 1.00: * HD3 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.0=100 HD2 ARG 69 + HG3 ARG 69 OK 100 100 - 100 - 3.0=100 HB VAL 76 + HG3 ARG 69 OK 52 93 - 56 - 4.0/3944=6, 2.1/4778=5...(26) HB2 GLU 50 - HG3 ARG 69 OK 37 97 - 38 - 3.9/4501=4, 3.0/4502=3...(19) HB3 GLU 50 - HG3 ARG 69 OK 37 97 - 38 - 3.9/4501=4, 3.0/4502=3...(19) HG2 ARG 66 - HG3 ARG 69 OK 12 83 - 15 - 4.1/4733=5, 5820/4.7=1...(6) HB3 GLU 19 - HG3 ARG 69 lone 8 99 - 8 - 4.6/499=1 HB3 PRO 56 - HG3 ARG 69 lone 6 100 - 6 - HB VAL 90 - HG3 ARG 69 lone 6 96 - 6 - HG2 PRO 56 - HG3 ARG 69 lone 6 99 - 6 - HB2 GLU 25 - HG3 ARG 69 lone 6 76 - 7 - HB3 GLU 25 - HG3 ARG 69 lone 5 73 - 7 - HG2 PRO 44 - HG3 ARG 69 lone 5 89 - 6 - HB2 GLU 87 - HG3 ARG 69 lone 5 100 - 5 - HB3 GLN 91 - HG3 ARG 69 lone 2 97 - 2 - HB3 MET 11 - HG3 ARG 69 lone 2 73 - 3 - Peak 2825 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.33 A): 4 out of 8 assignments used, quality = 1.00: * HA ARG 69 + HD2 ARG 69 OK 93 100 - 93 - 4.6=82, 2789/3.0=11...(18) HA ARG 69 + HD3 ARG 69 OK 93 100 - 93 - 4.6=82, 2789/3.0=11...(18) HA ILE 40 + HD3 ARG 69 OK 52 100 - 52 - 2817/3.0=9, 2793/3.9=7...(16) HA ILE 40 + HD2 ARG 69 OK 52 100 - 52 - 2817/3.0=9, 2793/3.9=7...(16) HA VAL 65 - HD3 ARG 69 OK 43 100 - 43 - 2817/3.0=7, 2801/3.9=6...(17) HA VAL 65 - HD2 ARG 69 OK 43 100 - 43 - 2817/3.0=7, 2801/3.9=6...(17) HD3 PRO 14 - HD2 ARG 69 OK 15 96 - 16 - 4820/3.9=4, 2801/3.9=3...(5) HD3 PRO 14 - HD3 ARG 69 OK 15 96 - 16 - 4820/3.9=4, 2801/3.9=3...(5) Peak 2826 from cnoeabs.peaks (1.80, 2.03, 42.48 ppm; 4.30 A): 2 out of 26 assignments used, quality = 1.00: * HB2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.9=100 HB2 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.9=100 HB3 LYS 75 - HD3 ARG 69 OK 27 92 - 30 - 4.6/813=4, 2818/3.0=4...(12) HB3 LYS 75 - HD2 ARG 69 OK 27 92 - 30 - 4.6/813=4, 2818/3.0=4...(12) HB2 LYS 73 - HD3 ARG 69 OK 24 83 - 29 - 2818/3.0=4, 2802/3.9=3...(10) HB2 LYS 73 - HD2 ARG 69 OK 24 83 - 29 - 2818/3.0=4, 2802/3.9=3...(10) HB3 LYS 73 - HD2 ARG 69 OK 19 71 - 28 - 2818/3.0=3, 2802/3.9=3...(10) HB3 LYS 73 - HD3 ARG 69 OK 19 71 - 28 - 2818/3.0=3, 2802/3.9=3...(10) HB2 LYS 85 - HD2 ARG 69 OK 16 100 - 16 - 2818/3.0=3, 2802/3.9=2...(5) HB2 LYS 85 - HD3 ARG 69 OK 16 100 - 16 - 2818/3.0=3, 2802/3.9=2...(5) HB2 LYS 13 - HD3 ARG 69 OK 11 95 - 11 - 2802/3.9=2, 2818/3.0=2...(4) HB2 LYS 13 - HD2 ARG 69 OK 11 95 - 11 - 2802/3.9=2, 2818/3.0=2...(4) HB3 LYS 39 - HD2 ARG 69 OK 11 83 - 13 - 2818/3.0=2, 2802/3.9=2...(4) HB3 LYS 39 - HD3 ARG 69 OK 11 83 - 13 - 2818/3.0=2, 2802/3.9=2...(4) HB3 LYS 32 - HD2 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB3 LYS 32 - HD3 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB2 LYS 32 - HD2 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB2 LYS 32 - HD3 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB ILE 89 - HD2 ARG 69 lone 6 81 - 7 - 2818/3.0=1, 2802/3.9=1 HB ILE 89 - HD3 ARG 69 lone 6 81 - 7 - 2818/3.0=1, 2802/3.9=1 HB3 ARG 84 - HD3 ARG 69 lone 6 100 - 5 - HB3 ARG 84 - HD2 ARG 69 lone 6 100 - 5 - HB2 LYS 83 - HD2 ARG 69 lone 5 81 - 7 - HB2 LYS 83 - HD3 ARG 69 lone 5 81 - 7 - HB2 PRO 34 - HD3 ARG 69 lone 2 76 - 3 - HB2 PRO 34 - HD2 ARG 69 lone 2 76 - 3 - Peak 2827 from cnoeabs.peaks (1.39, 2.03, 42.48 ppm; 3.77 A): 4 out of 26 assignments used, quality = 1.00: * HB3 ARG 69 + HD2 ARG 69 OK 95 100 - 95 - 3.9=92, 3.0/4768=6...(9) HB3 ARG 69 + HD3 ARG 69 OK 95 100 - 95 - 3.9=92, 3.0/4768=6...(9) HG3 ARG 69 + HD2 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 ARG 69 + HD3 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 LYS 75 - HD2 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG3 LYS 75 - HD3 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG2 LYS 75 - HD2 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG2 LYS 75 - HD3 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG3 LYS 73 - HD3 ARG 69 OK 17 99 - 17 - 2795/3.9=2, 2811/3.0=2...(6) HG3 LYS 73 - HD2 ARG 69 OK 17 99 - 17 - 2795/3.9=2, 2811/3.0=2...(6) QB ALA 53 - HD2 ARG 69 lone 9 100 - 9 - 5699=2, 5699/1.8=2 QB ALA 53 - HD3 ARG 69 lone 9 100 - 9 - 5699=2, 5699/1.8=2 HG3 LYS 39 - HD2 ARG 69 lone 9 97 - 9 - 2795/3.9=1 HG3 LYS 39 - HD3 ARG 69 lone 9 97 - 9 - 2795/3.9=1 HG2 LYS 85 - HD3 ARG 69 lone 8 89 - 9 - HG2 LYS 85 - HD2 ARG 69 lone 8 89 - 9 - QB ALA 77 - HD3 ARG 69 lone 7 85 - 8 - 2.9/350=3, ~350=2 QB ALA 77 - HD2 ARG 69 lone 7 85 - 8 - 2.9/350=3, ~350=2 QB ALA 20 - HD3 ARG 69 lone 6 89 - 6 - 2.9/29=1 QB ALA 20 - HD2 ARG 69 lone 6 89 - 6 - 2.9/29=1 QB ALA 78 - HD3 ARG 69 lone 4 99 - 4 - QB ALA 78 - HD2 ARG 69 lone 4 99 - 4 - HG2 LYS 13 - HD2 ARG 69 lone 4 60 - 6 - HG2 LYS 13 - HD3 ARG 69 lone 4 60 - 6 - HG2 LYS 83 - HD2 ARG 69 lone 2 68 - 3 - HG2 LYS 83 - HD3 ARG 69 lone 2 68 - 3 - Peak 2828 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.0=100 HG2 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.0=100 HG13 ILE 40 - HD3 ARG 69 OK 42 98 - 43 - 2820/3.0=7, 2804/3.9=6...(15) HG13 ILE 40 - HD2 ARG 69 OK 42 98 - 43 - 2820/3.0=7, 2804/3.9=6...(15) QG1 VAL 65 - HD3 ARG 69 OK 40 99 - 40 - 2820/3.0=6, 2796/3.9=5...(16) QG1 VAL 65 - HD2 ARG 69 OK 40 99 - 40 - 2820/3.0=6, 2796/3.9=5...(16) QG2 VAL 65 - HD3 ARG 69 OK 20 63 - 32 - ~2820=3, 2820/3.0=3...(15) QG2 VAL 65 - HD2 ARG 69 OK 20 63 - 32 - ~2820=3, 2820/3.0=3...(15) HG13 ILE 33 - HD2 ARG 69 OK 13 81 - 16 - 2820/3.0=2, 2796/3.9=1...(5) HG13 ILE 33 - HD3 ARG 69 OK 13 81 - 16 - 2820/3.0=2, 2796/3.9=1...(5) Peak 2829 from cnoeabs.peaks (1.38, 2.03, 42.48 ppm; 3.65 A): 4 out of 26 assignments used, quality = 1.00: HG3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.0=100 * HG3 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.0=100 HB3 ARG 69 + HD3 ARG 69 OK 77 87 - 88 - 3.9=84, 3.0/4768=6...(9) HB3 ARG 69 + HD2 ARG 69 OK 77 87 - 88 - 3.9=84, 3.0/4768=6...(9) HG3 LYS 75 - HD2 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG3 LYS 75 - HD3 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG2 LYS 75 - HD2 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG2 LYS 75 - HD3 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG3 LYS 73 - HD3 ARG 69 OK 16 97 - 16 - 2797/3.9=2, 2813/3.0=2...(6) HG3 LYS 73 - HD2 ARG 69 OK 16 97 - 16 - 2797/3.9=2, 2813/3.0=2...(6) HG2 LYS 85 - HD3 ARG 69 lone 9 100 - 9 - 2797/3.9=1, 2813/3.0=1 HG2 LYS 85 - HD2 ARG 69 lone 9 100 - 9 - 2797/3.9=1, 2813/3.0=1 QB ALA 77 - HD2 ARG 69 lone 8 100 - 8 - 2.9/350=2, ~350=2 QB ALA 77 - HD3 ARG 69 lone 8 100 - 8 - 2.9/350=2, ~350=2 QB ALA 53 - HD2 ARG 69 lone 7 90 - 8 - 5699=2, 5699/1.8=1 QB ALA 53 - HD3 ARG 69 lone 7 90 - 8 - 5699=2, 5699/1.8=1 QB ALA 20 - HD3 ARG 69 lone 6 100 - 6 - 2.9/29=1 QB ALA 20 - HD2 ARG 69 lone 6 100 - 6 - 2.9/29=1 HG3 LYS 39 - HD3 ARG 69 lone 5 63 - 7 - HG3 LYS 39 - HD2 ARG 69 lone 5 63 - 7 - HG2 LYS 83 - HD2 ARG 69 lone 4 99 - 4 - HG2 LYS 83 - HD3 ARG 69 lone 4 99 - 4 - QB ALA 78 - HD2 ARG 69 lone 4 97 - 4 - QB ALA 78 - HD3 ARG 69 lone 4 97 - 4 - QB ALA 16 - HD3 ARG 69 lone 1 89 - 1 - QB ALA 16 - HD2 ARG 69 lone 1 89 - 1 - Peak 2830 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 * HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Peak 2831 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Reference assignment not found: HD3 ARG 69 - HD2 ARG 69 Peak 2833 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.33 A): 4 out of 8 assignments used, quality = 1.00: HA ARG 69 + HD2 ARG 69 OK 93 100 - 93 - 4.6=82, 2789/3.0=11...(18) * HA ARG 69 + HD3 ARG 69 OK 93 100 - 93 - 4.6=82, 2789/3.0=11...(18) HA ILE 40 + HD3 ARG 69 OK 52 100 - 52 - 2817/3.0=9, 2793/3.9=7...(16) HA ILE 40 + HD2 ARG 69 OK 52 100 - 52 - 2817/3.0=9, 2793/3.9=7...(16) HA VAL 65 - HD3 ARG 69 OK 43 100 - 43 - 2817/3.0=7, 2801/3.9=6...(17) HA VAL 65 - HD2 ARG 69 OK 43 100 - 43 - 2817/3.0=7, 2801/3.9=6...(17) HD3 PRO 14 - HD2 ARG 69 OK 15 96 - 16 - 4820/3.9=4, 2801/3.9=3...(5) HD3 PRO 14 - HD3 ARG 69 OK 15 96 - 16 - 4820/3.9=4, 2801/3.9=3...(5) Peak 2834 from cnoeabs.peaks (1.80, 2.03, 42.48 ppm; 4.30 A): 2 out of 26 assignments used, quality = 1.00: HB2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.9=100 * HB2 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.9=100 HB3 LYS 75 - HD3 ARG 69 OK 27 92 - 30 - 4.6/813=4, 2818/3.0=4...(12) HB3 LYS 75 - HD2 ARG 69 OK 27 92 - 30 - 4.6/813=4, 2818/3.0=4...(12) HB2 LYS 73 - HD3 ARG 69 OK 24 83 - 29 - 2818/3.0=4, 2802/3.9=3...(10) HB2 LYS 73 - HD2 ARG 69 OK 24 83 - 29 - 2818/3.0=4, 2802/3.9=3...(10) HB3 LYS 73 - HD2 ARG 69 OK 19 71 - 28 - 2818/3.0=3, 2802/3.9=3...(10) HB3 LYS 73 - HD3 ARG 69 OK 19 71 - 28 - 2818/3.0=3, 2802/3.9=3...(10) HB2 LYS 85 - HD2 ARG 69 OK 16 100 - 16 - 2818/3.0=3, 2802/3.9=2...(5) HB2 LYS 85 - HD3 ARG 69 OK 16 100 - 16 - 2818/3.0=3, 2802/3.9=2...(5) HB2 LYS 13 - HD3 ARG 69 OK 11 95 - 11 - 2802/3.9=2, 2818/3.0=2...(4) HB2 LYS 13 - HD2 ARG 69 OK 11 95 - 11 - 2802/3.9=2, 2818/3.0=2...(4) HB3 LYS 39 - HD2 ARG 69 OK 11 83 - 13 - 2818/3.0=2, 2802/3.9=2...(4) HB3 LYS 39 - HD3 ARG 69 OK 11 83 - 13 - 2818/3.0=2, 2802/3.9=2...(4) HB3 LYS 32 - HD2 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB3 LYS 32 - HD3 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB2 LYS 32 - HD2 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB2 LYS 32 - HD3 ARG 69 poor 7 60 - 12 - ~4777=1, 2818/3.0=1, 2802/3.9=1 HB ILE 89 - HD2 ARG 69 lone 6 81 - 7 - 2818/3.0=1, 2802/3.9=1 HB ILE 89 - HD3 ARG 69 lone 6 81 - 7 - 2818/3.0=1, 2802/3.9=1 HB3 ARG 84 - HD3 ARG 69 lone 6 100 - 5 - HB3 ARG 84 - HD2 ARG 69 lone 6 100 - 5 - HB2 LYS 83 - HD2 ARG 69 lone 5 81 - 7 - HB2 LYS 83 - HD3 ARG 69 lone 5 81 - 7 - HB2 PRO 34 - HD3 ARG 69 lone 2 76 - 3 - HB2 PRO 34 - HD2 ARG 69 lone 2 76 - 3 - Peak 2835 from cnoeabs.peaks (1.39, 2.03, 42.48 ppm; 3.77 A): 4 out of 26 assignments used, quality = 1.00: HB3 ARG 69 + HD2 ARG 69 OK 95 100 - 95 - 3.9=92, 3.0/4768=6...(9) * HB3 ARG 69 + HD3 ARG 69 OK 95 100 - 95 - 3.9=92, 3.0/4768=6...(9) HG3 ARG 69 + HD2 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 ARG 69 + HD3 ARG 69 OK 87 87 - 100 - 3.0=100 HG3 LYS 75 - HD2 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG3 LYS 75 - HD3 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG2 LYS 75 - HD2 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG2 LYS 75 - HD3 ARG 69 OK 22 100 - 22 - 4.9/813=3, 2795/3.9=2...(10) HG3 LYS 73 - HD3 ARG 69 OK 17 99 - 17 - 2795/3.9=2, 2811/3.0=2...(6) HG3 LYS 73 - HD2 ARG 69 OK 17 99 - 17 - 2795/3.9=2, 2811/3.0=2...(6) QB ALA 53 - HD2 ARG 69 lone 9 100 - 9 - 5699=2, 5699/1.8=2 QB ALA 53 - HD3 ARG 69 lone 9 100 - 9 - 5699=2, 5699/1.8=2 HG3 LYS 39 - HD2 ARG 69 lone 9 97 - 9 - 2795/3.9=1 HG3 LYS 39 - HD3 ARG 69 lone 9 97 - 9 - 2795/3.9=1 HG2 LYS 85 - HD3 ARG 69 lone 8 89 - 9 - HG2 LYS 85 - HD2 ARG 69 lone 8 89 - 9 - QB ALA 77 - HD3 ARG 69 lone 7 85 - 8 - 2.9/350=3, ~350=2 QB ALA 77 - HD2 ARG 69 lone 7 85 - 8 - 2.9/350=3, ~350=2 QB ALA 20 - HD3 ARG 69 lone 6 89 - 6 - 2.9/29=1 QB ALA 20 - HD2 ARG 69 lone 6 89 - 6 - 2.9/29=1 QB ALA 78 - HD3 ARG 69 lone 4 99 - 4 - QB ALA 78 - HD2 ARG 69 lone 4 99 - 4 - HG2 LYS 13 - HD2 ARG 69 lone 4 60 - 6 - HG2 LYS 13 - HD3 ARG 69 lone 4 60 - 6 - HG2 LYS 83 - HD2 ARG 69 lone 2 68 - 3 - HG2 LYS 83 - HD3 ARG 69 lone 2 68 - 3 - Peak 2836 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: HG2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.0=100 * HG2 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.0=100 HG13 ILE 40 - HD3 ARG 69 OK 42 98 - 43 - 2820/3.0=7, 2804/3.9=6...(15) HG13 ILE 40 - HD2 ARG 69 OK 42 98 - 43 - 2820/3.0=7, 2804/3.9=6...(15) QG1 VAL 65 - HD3 ARG 69 OK 40 99 - 40 - 2820/3.0=6, 2796/3.9=5...(16) QG1 VAL 65 - HD2 ARG 69 OK 40 99 - 40 - 2820/3.0=6, 2796/3.9=5...(16) QG2 VAL 65 - HD3 ARG 69 OK 20 63 - 32 - ~2820=3, 2820/3.0=3...(15) QG2 VAL 65 - HD2 ARG 69 OK 20 63 - 32 - ~2820=3, 2820/3.0=3...(15) HG13 ILE 33 - HD2 ARG 69 OK 13 81 - 16 - 2820/3.0=2, 2796/3.9=1...(5) HG13 ILE 33 - HD3 ARG 69 OK 13 81 - 16 - 2820/3.0=2, 2796/3.9=1...(5) Peak 2837 from cnoeabs.peaks (1.38, 2.03, 42.48 ppm; 3.65 A): 4 out of 26 assignments used, quality = 1.00: * HG3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 - 3.0=100 HG3 ARG 69 + HD2 ARG 69 OK 100 100 - 100 - 3.0=100 HB3 ARG 69 + HD3 ARG 69 OK 77 87 - 88 - 3.9=84, 3.0/4768=6...(9) HB3 ARG 69 + HD2 ARG 69 OK 77 87 - 88 - 3.9=84, 3.0/4768=6...(9) HG3 LYS 75 - HD2 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG3 LYS 75 - HD3 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG2 LYS 75 - HD2 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG2 LYS 75 - HD3 ARG 69 OK 19 95 - 20 - 4.9/813=3, 2797/3.9=2...(8) HG3 LYS 73 - HD3 ARG 69 OK 16 97 - 16 - 2797/3.9=2, 2813/3.0=2...(6) HG3 LYS 73 - HD2 ARG 69 OK 16 97 - 16 - 2797/3.9=2, 2813/3.0=2...(6) HG2 LYS 85 - HD3 ARG 69 lone 9 100 - 9 - 2797/3.9=1, 2813/3.0=1 HG2 LYS 85 - HD2 ARG 69 lone 9 100 - 9 - 2797/3.9=1, 2813/3.0=1 QB ALA 77 - HD2 ARG 69 lone 8 100 - 8 - 2.9/350=2, ~350=2 QB ALA 77 - HD3 ARG 69 lone 8 100 - 8 - 2.9/350=2, ~350=2 QB ALA 53 - HD2 ARG 69 lone 7 90 - 8 - 5699=2, 5699/1.8=1 QB ALA 53 - HD3 ARG 69 lone 7 90 - 8 - 5699=2, 5699/1.8=1 QB ALA 20 - HD3 ARG 69 lone 6 100 - 6 - 2.9/29=1 QB ALA 20 - HD2 ARG 69 lone 6 100 - 6 - 2.9/29=1 HG3 LYS 39 - HD3 ARG 69 lone 5 63 - 7 - HG3 LYS 39 - HD2 ARG 69 lone 5 63 - 7 - HG2 LYS 83 - HD2 ARG 69 lone 4 99 - 4 - HG2 LYS 83 - HD3 ARG 69 lone 4 99 - 4 - QB ALA 78 - HD2 ARG 69 lone 4 97 - 4 - QB ALA 78 - HD3 ARG 69 lone 4 97 - 4 - QB ALA 16 - HD3 ARG 69 lone 1 89 - 1 - QB ALA 16 - HD2 ARG 69 lone 1 89 - 1 - Peak 2838 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Reference assignment not found: HD2 ARG 69 - HD3 ARG 69 Peak 2839 from cnoeabs.peaks (2.03, 2.03, 42.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 69 + HD3 ARG 69 OK 100 100 - 100 HD2 ARG 69 + HD2 ARG 69 OK 100 100 - 100 Peak 2840 from cnoeabs.peaks (7.95, 4.00, 58.60 ppm; 3.63 A): 1 out of 6 assignments used, quality = 1.00: * H ARG 70 + HA ARG 70 OK 100 100 - 100 - 2.9=100 H ASP 67 - HA ARG 70 OK 29 78 - 38 - ~4792=6, 303/3.6=4...(15) H VAL 76 - HA ARG 70 OK 23 99 - 23 - 303/3.6=3, 295/2.9=2...(9) H LYS 32 - HA ARG 70 OK 22 96 - 23 - 303/3.6=2, 2864/4.0=2...(10) H LEU 29 - HA ARG 70 OK 16 100 - 16 - 4184/4.7=3, 303/3.6=3...(4) H ALA 63 - HA ARG 70 OK 12 71 - 17 - 303/3.6=2, 295/2.9=2...(8) Peak 2841 from cnoeabs.peaks (4.00, 4.00, 58.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 70 + HA ARG 70 OK 100 100 - 100 Peak 2842 from cnoeabs.peaks (1.95, 4.00, 58.60 ppm; 3.15 A): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 70 + HA ARG 70 OK 100 100 - 100 - 3.0=100 HB3 ARG 70 + HA ARG 70 OK 100 100 - 100 - 3.0=100 HB3 ARG 66 + HA ARG 70 OK 45 95 - 48 - 2.8/2844=5, 2857=4...(24) HB2 LEU 64 - HA ARG 70 OK 16 89 - 18 - 1.8/2844=3, 768/2.9=2...(6) HB2 MET 31 - HA ARG 70 lone 7 85 - 8 - 4.7/2840=1, 769/2.9=1 HG LEU 57 - HA ARG 70 lone 5 100 - 5 - HB VAL 41 - HA ARG 70 lone 5 71 - 7 - ~5831=1, ~5830=1 HB2 GLN 79 - HA ARG 70 lone 2 96 - 2 - Peak 2843 from cnoeabs.peaks (1.95, 4.00, 58.60 ppm; 3.15 A): 3 out of 8 assignments used, quality = 1.00: HB2 ARG 70 + HA ARG 70 OK 100 100 - 100 - 3.0=100 * HB3 ARG 70 + HA ARG 70 OK 100 100 - 100 - 3.0=100 HB3 ARG 66 + HA ARG 70 OK 45 95 - 48 - 2.8/2844=5, 2857=4...(24) HB2 LEU 64 - HA ARG 70 OK 16 89 - 18 - 1.8/2844=3, 768/2.9=2...(6) HB2 MET 31 - HA ARG 70 lone 7 85 - 8 - 4.7/2840=1, 769/2.9=1 HG LEU 57 - HA ARG 70 lone 5 100 - 5 - HB VAL 41 - HA ARG 70 lone 5 71 - 7 - ~5831=1, ~5830=1 HB2 GLN 79 - HA ARG 70 lone 2 96 - 2 - Peak 2844 from cnoeabs.peaks (1.71, 4.00, 58.60 ppm; 3.83 A): 2 out of 10 assignments used, quality = 0.98: * HG2 ARG 70 + HA ARG 70 OK 95 100 - 95 - 4.0=90, 2864/2.9=11...(16) HG3 ARG 66 + HA ARG 70 OK 58 95 - 61 - 2709/3.0=6, 2709/3.0=6...(27) HB3 LEU 64 - HA ARG 70 OK 27 97 - 28 - 770/2.9=3, 2628/3.0=3...(14) HB2 LEU 29 - HA ARG 70 OK 22 99 - 22 - 1483/2.9=4, 5348/4.7=3...(7) HB3 LYS 85 - HA ARG 70 OK 15 93 - 16 - 4.0/5391=3, 1.8/5984=3...(6) HB2 ARG 84 - HA ARG 70 OK 14 87 - 16 - 1.8/5984=2, 4.6/5391=2...(7) HB2 LEU 43 - HA ARG 70 lone 8 90 - 8 - 770/2.9=1, ~5831=1 HB3 LYS 83 - HA ARG 70 lone 6 98 - 6 - HB3 LYS 13 - HA ARG 70 lone 3 65 - 5 - HB2 ARG 82 - HA ARG 70 lone 3 93 - 3 - Peak 2845 from cnoeabs.peaks (1.61, 4.00, 58.60 ppm; 3.85 A): 1 out of 18 assignments used, quality = 0.97: * HG3 ARG 70 + HA ARG 70 OK 97 100 - 97 - 4.0=92, 1.8/2865=21...(16) HD3 LYS 73 - HA ARG 70 OK 27 100 - 27 - 6.1/5987=5, 3.5/5061=5...(9) HD2 LYS 73 - HA ARG 70 OK 27 100 - 27 - 6.1/5987=5, 3.5/5061=5...(9) HD3 LYS 32 - HA ARG 70 OK 26 100 - 26 - 3.5/5984=2, 3.5/5984=2...(12) HD2 LYS 32 - HA ARG 70 OK 26 100 - 26 - 3.5/5984=2, 3.5/5984=2...(12) HG2 ARG 71 - HA ARG 70 OK 23 99 - 24 - 778/3.6=5, 2900/4.7=3...(10) HG2 ARG 84 - HA ARG 70 OK 14 85 - 16 - 3.0/5984=2, 2873=2...(5) HG3 ARG 84 - HA ARG 70 OK 14 85 - 16 - 3.0/5984=2, 2873=2...(5) HG2 ARG 26 - HA ARG 70 OK 12 98 - 12 - 778/3.6=3, 1383/4.7=2...(4) HB2 LEU 86 - HA ARG 70 OK 11 100 - 11 - 771/2.9=1, 2869/4.0=1, ~5831=1 HG LEU 86 - HA ARG 70 OK 11 93 - 12 - 2873=2, ~5831=1, 2869/4.0=1 HG2 ARG 17 - HA ARG 70 OK 11 99 - 11 - 2873=2, 778/3.6=1, 1.8/2873=1 HG3 ARG 17 - HA ARG 70 OK 11 99 - 11 - 2873=2, 778/3.6=1, 1.8/2873=1 HB3 LEU 51 - HA ARG 70 lone 9 95 - 9 - 1.8/4524=1 HB3 LEU 62 - HA ARG 70 poor 9 73 - 12 - 4.6/2840=1 HG2 ARG 27 - HA ARG 70 lone 6 85 - 8 - 778/3.6=1 HG3 ARG 27 - HA ARG 70 lone 6 83 - 8 - 778/3.6=1 HD2 LYS 39 - HA ARG 70 lone 3 60 - 4 - Peak 2846 from cnoeabs.peaks (3.21, 4.00, 58.60 ppm; 5.10 A): 4 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HA ARG 70 OK 97 100 - 97 - 5.3=89, 3.0/2865=25...(23) HD3 ARG 70 + HA ARG 70 OK 97 100 - 97 - 5.3=89, 3.0/2865=25...(23) HD2 ARG 66 + HA ARG 70 OK 69 89 - 79 - 3.0/2844=10, 3.4/2843=7...(46) HD3 ARG 66 + HA ARG 70 OK 66 85 - 78 - 3.0/2844=10, 3.4/2843=7...(46) HD3 ARG 71 - HA ARG 70 OK 28 99 - 28 - 5833/3.6=6, 2903/4.7=4...(14) Peak 2847 from cnoeabs.peaks (3.20, 4.00, 58.60 ppm; 5.10 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 70 + HA ARG 70 OK 97 100 - 97 - 5.3=89, 3.0/2865=25...(23) HD2 ARG 70 + HA ARG 70 OK 97 100 - 97 - 5.3=89, 3.0/2865=25...(23) HD2 ARG 66 + HA ARG 70 OK 72 92 - 79 - 3.0/2844=10, 3.4/2843=7...(46) HD3 ARG 66 + HA ARG 70 OK 69 89 - 79 - 3.0/2844=10, 3.4/2843=7...(46) HD3 ARG 71 - HA ARG 70 OK 28 100 - 28 - 5833/3.6=6, 2903/4.7=4...(14) HD3 ARG 26 - HA ARG 70 OK 10 60 - 17 - 5833/3.6=3, 2903/4.7=2...(4) Peak 2848 from cnoeabs.peaks (7.95, 1.95, 29.80 ppm; 3.31 A): 3 out of 18 assignments used, quality = 0.97: * H ARG 70 + HB2 ARG 70 OK 76 100 - 76 - 4.1=54, 769/1.8=13...(14) H ARG 70 + HB3 ARG 70 OK 76 100 - 76 - 4.1=54, 769/1.8=13...(14) H ASP 67 + HB3 ARG 66 OK 39 64 - 62 - 4.6=36, 276/4.0=14...(13) H ARG 70 - HB3 ARG 66 OK 37 89 - 42 - 768=8, 767/3.0=5...(17) H ASP 67 - HB3 ARG 70 OK 33 78 - 43 - 3.0/5051=5, ~5052=4...(19) H ASP 67 - HB2 ARG 70 OK 33 78 - 43 - 3.0/5051=5, ~5052=4...(19) H LYS 32 - HB2 ARG 70 OK 18 96 - 19 - 2840/3.0=3, 2864/2.9=2...(6) H LYS 32 - HB3 ARG 70 OK 18 96 - 19 - 2840/3.0=3, 2864/2.9=2...(6) H ALA 63 - HB3 ARG 66 OK 17 57 - 29 - 3.0/4684=5, 2.9/5009=4...(10) H LYS 32 - HB3 ARG 66 OK 16 81 - 19 - 561/3.0=2, 91=2...(8) H ALA 63 - HB2 ARG 70 OK 14 71 - 20 - 2.9/5009=2, 4685/1.8=2...(11) H ALA 63 - HB3 ARG 70 OK 14 71 - 20 - 2.9/5009=2, 4685/1.8=2...(11) H VAL 76 - HB2 ARG 70 OK 12 99 - 12 - 2840/3.0=3, 303/4.4=2...(5) H VAL 76 - HB3 ARG 70 OK 12 99 - 12 - 2840/3.0=3, 303/4.4=2...(5) H LEU 29 - HB2 ARG 70 OK 11 100 - 10 - 546/2.9=2, 303/4.4=2, 2840/3.0=2 H LEU 29 - HB3 ARG 70 OK 11 100 - 10 - 546/2.9=2, 303/4.4=2, 2840/3.0=2 H LEU 29 - HB3 ARG 66 lone 8 89 - 9 - 548/2.8=2, 77/3.0=1, 937/4.0=1 H VAL 76 - HB3 ARG 66 lone 8 86 - 9 - 812/3.0=2, 3.0/6044=1 Peak 2849 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.34 A): 4 out of 18 assignments used, quality = 1.00: * HA ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.0=100 HA ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.0=100 HA ARG 66 + HB3 ARG 66 OK 57 57 - 100 - 3.0=100 HA ARG 70 + HB3 ARG 66 OK 46 89 - 53 - 2843=8, 2844/2.8=5...(26) HA ARG 66 - HB3 ARG 70 OK 40 71 - 57 - 2865/2.9=6, 3.0/742=5...(23) HA ARG 66 - HB2 ARG 70 OK 40 71 - 57 - 2865/2.9=6, 3.0/742=5...(23) HA LYS 32 - HB3 ARG 70 OK 12 71 - 18 - 2865/2.9=2, 767/4.1=2...(5) HA LYS 32 - HB2 ARG 70 OK 12 71 - 18 - 2865/2.9=2, 767/4.1=2...(5) HA LYS 32 - HB3 ARG 66 poor 8 57 - 14 - 3.0/91=2, ~3924=1...(5) HA ARG 54 - HB3 ARG 70 lone 5 99 - 5 - HA ARG 54 - HB2 ARG 70 lone 5 99 - 5 - HB2 SER 22 - HB3 ARG 70 lone 4 98 - 4 - HB2 SER 22 - HB2 ARG 70 lone 4 98 - 4 - HA PHE 48 - HB2 ARG 70 lone 2 65 - 3 - HA PHE 48 - HB3 ARG 70 lone 2 65 - 3 - HA PHE 48 - HB3 ARG 66 lone 2 52 - 3 - HA ARG 54 - HB3 ARG 66 lone 2 87 - 2 - HB2 SER 22 - HB3 ARG 66 lone 1 85 - 1 - Peak 2850 from cnoeabs.peaks (1.95, 1.95, 29.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 * HB2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 HB3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 Peak 2851 from cnoeabs.peaks (1.95, 1.95, 29.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 HB2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 HB3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 Reference assignment not found: HB3 ARG 70 - HB2 ARG 70 Peak 2852 from cnoeabs.peaks (1.71, 1.95, 29.80 ppm; 3.34 A): 6 out of 30 assignments used, quality = 1.00: * HG2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 2.9=100 HG2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 2.9=100 HG3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 - 2.8=100 HG3 ARG 66 + HB2 ARG 70 OK 65 95 - 69 - 2709=7, 1.8/2701=7...(30) HG3 ARG 66 + HB3 ARG 70 OK 65 95 - 69 - 2709=7, 1.8/2701=7...(30) HG2 ARG 70 + HB3 ARG 66 OK 57 89 - 64 - 2867=10, 2865/3.0=6...(28) HB3 LEU 64 - HB2 ARG 70 OK 30 97 - 31 - 2628=3, 2628/1.8=3...(13) HB3 LEU 64 - HB3 ARG 70 OK 30 97 - 31 - 2628=3, 2628/1.8=3...(13) HB3 LEU 64 - HB3 ARG 66 OK 26 83 - 32 - 744/4.0=4, 2679/3.0=4...(13) HB2 LEU 29 - HB2 ARG 70 OK 14 99 - 14 - 1483/4.1=2, 307/4.4=2 HB2 LEU 29 - HB3 ARG 70 OK 14 99 - 14 - 1483/4.1=2, 307/4.4=2 HB2 LEU 29 - HB3 ARG 66 OK 11 86 - 13 - 1487/2.8=1 HB2 ARG 84 - HB3 ARG 70 poor 9 87 - 10 - 2844/3.0=1 HB2 ARG 84 - HB2 ARG 70 poor 9 87 - 10 - 2844/3.0=1 HB3 LYS 85 - HB2 ARG 70 lone 8 93 - 9 - 2844/3.0=1, 770/4.1=1, ~5061=1 HB3 LYS 85 - HB3 ARG 70 lone 8 93 - 9 - 2844/3.0=1, 770/4.1=1, ~5061=1 HB2 LEU 43 - HB3 ARG 66 lone 6 75 - 8 - HB2 LEU 43 - HB2 ARG 70 lone 6 90 - 6 - HB2 LEU 43 - HB3 ARG 70 lone 6 90 - 6 - HB3 LYS 83 - HB2 ARG 70 lone 3 98 - 3 - HB3 LYS 83 - HB3 ARG 70 lone 3 98 - 3 - HB2 ARG 82 - HB2 ARG 70 lone 3 93 - 3 - HB2 ARG 82 - HB3 ARG 70 lone 3 93 - 3 - HB2 ARG 82 - HB3 ARG 66 lone 3 79 - 3 - HB3 LYS 85 - HB3 ARG 66 lone 2 79 - 2 - HB3 LYS 13 - HB3 ARG 66 lone 2 52 - 3 - HB3 LYS 13 - HB2 ARG 70 lone 2 65 - 2 - HB3 LYS 13 - HB3 ARG 70 lone 2 65 - 2 - HB3 LYS 83 - HB3 ARG 66 lone 2 85 - 2 - HB2 ARG 84 - HB3 ARG 66 lone 1 72 - 2 - Peak 2853 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 3 out of 54 assignments used, quality = 1.00: HG3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 2.9=100 * HG3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 2.9=100 HG3 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 1.8/2866=8, 2875=5...(35) HG2 ARG 71 - HB3 ARG 70 OK 35 99 - 35 - 5.0/306=5, 2869/2.9=3...(10) HG2 ARG 71 - HB2 ARG 70 OK 35 99 - 35 - 5.0/306=5, 2869/2.9=3...(10) HG2 ARG 26 - HB3 ARG 66 OK 29 85 - 34 - 3.0/2685=2, 3.0/2685=2...(11) HG2 ARG 71 - HB3 ARG 66 OK 25 86 - 29 - 5.0/305=3, 3.8/5372=2...(10) HD3 LYS 32 - HB2 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(5) HD3 LYS 32 - HB3 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(5) HD2 LYS 32 - HB3 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(4) HD2 LYS 32 - HB2 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(4) HG2 ARG 26 - HB3 ARG 70 OK 14 98 - 15 - 778/4.4=2, 2869/2.9=1 HG2 ARG 26 - HB2 ARG 70 OK 14 98 - 15 - 778/4.4=2, 2869/2.9=1 HG2 ARG 84 - HB3 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG2 ARG 84 - HB2 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG3 ARG 84 - HB3 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG3 ARG 84 - HB2 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HB2 LEU 86 - HB2 ARG 70 OK 12 100 - 12 - 2869/2.9=1 HB2 LEU 86 - HB3 ARG 70 OK 12 100 - 12 - 2869/2.9=1 HG2 ARG 17 - HB3 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG2 ARG 17 - HB2 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG3 ARG 17 - HB3 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG3 ARG 17 - HB2 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HD2 LYS 73 - HB2 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD3 LYS 73 - HB3 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD3 LYS 73 - HB2 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD2 LYS 73 - HB3 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HG LEU 86 - HB3 ARG 70 OK 11 93 - 12 - 2869/2.9=1 HG LEU 86 - HB2 ARG 70 OK 11 93 - 12 - 2869/2.9=1 HG2 ARG 27 - HB3 ARG 66 poor 9 70 - 13 - HG3 ARG 27 - HB3 ARG 66 poor 9 68 - 13 - HB3 LEU 62 - HB2 ARG 70 lone 7 73 - 10 - 4.6/4685=2 HB3 LEU 62 - HB3 ARG 70 lone 7 73 - 10 - 4.6/4685=2 HD3 LYS 32 - HB3 ARG 66 lone 7 89 - 8 - 6.1/91=1 HD2 LYS 32 - HB3 ARG 66 lone 7 89 - 8 - 6.1/91=1 HG2 ARG 27 - HB3 ARG 70 lone 7 85 - 8 - HG2 ARG 27 - HB2 ARG 70 lone 7 85 - 8 - HG2 ARG 17 - HB3 ARG 66 lone 7 87 - 7 - HG3 ARG 17 - HB3 ARG 66 lone 6 86 - 7 - HG3 ARG 27 - HB2 ARG 70 lone 6 83 - 8 - HG3 ARG 27 - HB3 ARG 70 lone 6 83 - 8 - HB3 LEU 51 - HB3 ARG 70 lone 5 95 - 5 - HB3 LEU 51 - HB2 ARG 70 lone 5 95 - 5 - HB3 LEU 62 - HB3 ARG 66 lone 3 59 - 6 - HD3 LYS 73 - HB3 ARG 66 lone 3 89 - 4 - HD2 LYS 73 - HB3 ARG 66 lone 3 89 - 4 - HG LEU 86 - HB3 ARG 66 lone 3 79 - 4 - HB2 LEU 86 - HB3 ARG 66 lone 3 89 - 3 - HB3 LEU 51 - HB3 ARG 66 lone 2 80 - 2 - HG3 ARG 84 - HB3 ARG 66 lone 2 70 - 2 - HG2 ARG 84 - HB3 ARG 66 lone 2 70 - 2 - HD2 LYS 39 - HB3 ARG 66 lone 1 48 - 3 - HD2 LYS 39 - HB2 ARG 70 lone 1 60 - 2 - HD2 LYS 39 - HB3 ARG 70 lone 1 60 - 2 - Peak 2854 from cnoeabs.peaks (3.21, 1.95, 29.80 ppm; 3.68 A): 12 out of 15 assignments used, quality = 1.00: * HD2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 - 100 - 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 - 100 - 3.4=100 HD2 ARG 66 + HB3 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB2 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 62 85 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB2 ARG 70 OK 62 85 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 3.0/2867=6, 3.0/2874=3...(38) HD3 ARG 70 + HB3 ARG 66 OK 57 89 - 65 - 3.0/2867=6, 3.0/2875=3...(37) HD3 ARG 71 - HB2 ARG 70 OK 24 99 - 25 - 5.8/305=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 70 OK 24 99 - 25 - 5.8/305=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 66 OK 18 87 - 21 - 5.8/305=2, 4.7/5372=2 Peak 2855 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 12 out of 18 assignments used, quality = 1.00: * HD3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 - 100 - 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 - 100 - 3.4=100 HD2 ARG 66 + HB2 ARG 70 OK 67 92 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB3 ARG 70 OK 67 92 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB2 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 3.0/2867=6, 3.0/2874=3...(38) HD3 ARG 70 + HB3 ARG 66 OK 57 89 - 65 - 3.0/2866=6, 3.0/2875=3...(37) HD3 ARG 71 - HB2 ARG 70 OK 25 100 - 25 - 5.8/306=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 70 OK 25 100 - 25 - 5.8/306=4, 2870/2.9=2...(7) HD3 ARG 26 - HB3 ARG 66 OK 19 48 - 41 - 2712/2.8=2, 3.5/2685=2...(19) HD3 ARG 71 - HB3 ARG 66 OK 19 88 - 21 - 5.8/306=2, 4.7/5372=2 HD3 ARG 26 - HB3 ARG 70 poor 8 60 - 13 - 5833/4.4=1 HD3 ARG 26 - HB2 ARG 70 poor 8 60 - 13 - 5833/4.4=1 Peak 2856 from cnoeabs.peaks (7.95, 1.95, 29.80 ppm; 3.31 A): 3 out of 18 assignments used, quality = 0.97: H ARG 70 + HB2 ARG 70 OK 76 100 - 76 - 4.1=54, 769/1.8=13...(14) * H ARG 70 + HB3 ARG 70 OK 76 100 - 76 - 4.1=54, 769/1.8=13...(14) H ASP 67 + HB3 ARG 66 OK 39 64 - 62 - 4.6=36, 276/4.0=14...(13) H ARG 70 - HB3 ARG 66 OK 37 89 - 42 - 768=8, 767/3.0=5...(17) H ASP 67 - HB3 ARG 70 OK 33 78 - 43 - 3.0/5051=5, ~5052=4...(19) H ASP 67 - HB2 ARG 70 OK 33 78 - 43 - 3.0/5051=5, ~5052=4...(19) H LYS 32 - HB2 ARG 70 OK 18 96 - 19 - 2840/3.0=3, 2864/2.9=2...(6) H LYS 32 - HB3 ARG 70 OK 18 96 - 19 - 2840/3.0=3, 2864/2.9=2...(6) H ALA 63 - HB3 ARG 66 OK 17 57 - 29 - 3.0/4684=5, 2.9/5009=4...(10) H LYS 32 - HB3 ARG 66 OK 16 81 - 19 - 561/3.0=2, 91=2...(8) H ALA 63 - HB2 ARG 70 OK 14 71 - 20 - 2.9/5009=2, 4685/1.8=2...(11) H ALA 63 - HB3 ARG 70 OK 14 71 - 20 - 2.9/5009=2, 4685/1.8=2...(11) H VAL 76 - HB2 ARG 70 OK 12 99 - 12 - 2840/3.0=3, 303/4.4=2...(5) H VAL 76 - HB3 ARG 70 OK 12 99 - 12 - 2840/3.0=3, 303/4.4=2...(5) H LEU 29 - HB2 ARG 70 OK 11 100 - 10 - 546/2.9=2, 303/4.4=2, 2840/3.0=2 H LEU 29 - HB3 ARG 70 OK 11 100 - 10 - 546/2.9=2, 303/4.4=2, 2840/3.0=2 H LEU 29 - HB3 ARG 66 lone 8 89 - 9 - 548/2.8=2, 77/3.0=1, 937/4.0=1 H VAL 76 - HB3 ARG 66 lone 8 86 - 9 - 812/3.0=2, 3.0/6044=1 Peak 2857 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.34 A): 4 out of 18 assignments used, quality = 1.00: HA ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.0=100 * HA ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.0=100 HA ARG 66 + HB3 ARG 66 OK 57 57 - 100 - 3.0=100 HA ARG 70 + HB3 ARG 66 OK 46 89 - 53 - 2843=8, 2844/2.8=5...(26) HA ARG 66 - HB3 ARG 70 OK 40 71 - 57 - 2865/2.9=6, 3.0/742=5...(23) HA ARG 66 - HB2 ARG 70 OK 40 71 - 57 - 2865/2.9=6, 3.0/742=5...(23) HA LYS 32 - HB3 ARG 70 OK 12 71 - 18 - 2865/2.9=2, 767/4.1=2...(5) HA LYS 32 - HB2 ARG 70 OK 12 71 - 18 - 2865/2.9=2, 767/4.1=2...(5) HA LYS 32 - HB3 ARG 66 poor 8 57 - 14 - 3.0/91=2, ~3924=1...(5) HA ARG 54 - HB3 ARG 70 lone 5 99 - 5 - HA ARG 54 - HB2 ARG 70 lone 5 99 - 5 - HB2 SER 22 - HB3 ARG 70 lone 4 98 - 4 - HB2 SER 22 - HB2 ARG 70 lone 4 98 - 4 - HA PHE 48 - HB2 ARG 70 lone 2 65 - 3 - HA PHE 48 - HB3 ARG 70 lone 2 65 - 3 - HA PHE 48 - HB3 ARG 66 lone 2 52 - 3 - HA ARG 54 - HB3 ARG 66 lone 2 87 - 2 - HB2 SER 22 - HB3 ARG 66 lone 1 85 - 1 - Peak 2858 from cnoeabs.peaks (1.95, 1.95, 29.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 HB2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 HB3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 Reference assignment not found: HB2 ARG 70 - HB3 ARG 70 Peak 2859 from cnoeabs.peaks (1.95, 1.95, 29.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 HB2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 HB3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 Peak 2860 from cnoeabs.peaks (1.71, 1.95, 29.80 ppm; 3.34 A): 6 out of 30 assignments used, quality = 1.00: HG2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 2.9=100 * HG2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 2.9=100 HG3 ARG 66 + HB3 ARG 66 OK 80 80 - 100 - 2.8=100 HG3 ARG 66 + HB2 ARG 70 OK 65 95 - 69 - 2709=7, 1.8/2701=7...(30) HG3 ARG 66 + HB3 ARG 70 OK 65 95 - 69 - 2709=7, 1.8/2701=7...(30) HG2 ARG 70 + HB3 ARG 66 OK 57 89 - 64 - 2867=10, 2865/3.0=6...(28) HB3 LEU 64 - HB2 ARG 70 OK 30 97 - 31 - 2628=3, 2628/1.8=3...(13) HB3 LEU 64 - HB3 ARG 70 OK 30 97 - 31 - 2628=3, 2628/1.8=3...(13) HB3 LEU 64 - HB3 ARG 66 OK 26 83 - 32 - 744/4.0=4, 2679/3.0=4...(13) HB2 LEU 29 - HB2 ARG 70 OK 14 99 - 14 - 1483/4.1=2, 307/4.4=2 HB2 LEU 29 - HB3 ARG 70 OK 14 99 - 14 - 1483/4.1=2, 307/4.4=2 HB2 LEU 29 - HB3 ARG 66 OK 11 86 - 13 - 1487/2.8=1 HB2 ARG 84 - HB3 ARG 70 poor 9 87 - 10 - 2844/3.0=1 HB2 ARG 84 - HB2 ARG 70 poor 9 87 - 10 - 2844/3.0=1 HB3 LYS 85 - HB2 ARG 70 lone 8 93 - 9 - 2844/3.0=1, 770/4.1=1, ~5061=1 HB3 LYS 85 - HB3 ARG 70 lone 8 93 - 9 - 2844/3.0=1, 770/4.1=1, ~5061=1 HB2 LEU 43 - HB3 ARG 66 lone 6 75 - 8 - HB2 LEU 43 - HB2 ARG 70 lone 6 90 - 6 - HB2 LEU 43 - HB3 ARG 70 lone 6 90 - 6 - HB3 LYS 83 - HB2 ARG 70 lone 3 98 - 3 - HB3 LYS 83 - HB3 ARG 70 lone 3 98 - 3 - HB2 ARG 82 - HB2 ARG 70 lone 3 93 - 3 - HB2 ARG 82 - HB3 ARG 70 lone 3 93 - 3 - HB2 ARG 82 - HB3 ARG 66 lone 3 79 - 3 - HB3 LYS 85 - HB3 ARG 66 lone 2 79 - 2 - HB3 LYS 13 - HB3 ARG 66 lone 2 52 - 3 - HB3 LYS 13 - HB2 ARG 70 lone 2 65 - 2 - HB3 LYS 13 - HB3 ARG 70 lone 2 65 - 2 - HB3 LYS 83 - HB3 ARG 66 lone 2 85 - 2 - HB2 ARG 84 - HB3 ARG 66 lone 1 72 - 2 - Peak 2861 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 3 out of 54 assignments used, quality = 1.00: * HG3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 2.9=100 HG3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 2.9=100 HG3 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 1.8/2866=8, 2875=5...(35) HG2 ARG 71 - HB3 ARG 70 OK 35 99 - 35 - 5.0/306=5, 2869/2.9=3...(10) HG2 ARG 71 - HB2 ARG 70 OK 35 99 - 35 - 5.0/306=5, 2869/2.9=3...(10) HG2 ARG 26 - HB3 ARG 66 OK 29 85 - 34 - 3.0/2685=2, 3.0/2685=2...(11) HG2 ARG 71 - HB3 ARG 66 OK 25 86 - 29 - 5.0/305=3, 3.8/5372=2...(10) HD3 LYS 32 - HB2 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(5) HD3 LYS 32 - HB3 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(5) HD2 LYS 32 - HB3 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(4) HD2 LYS 32 - HB2 ARG 70 OK 16 100 - 16 - 2845/3.0=2, 771/4.1=1...(4) HG2 ARG 26 - HB3 ARG 70 OK 14 98 - 15 - 778/4.4=2, 2869/2.9=1 HG2 ARG 26 - HB2 ARG 70 OK 14 98 - 15 - 778/4.4=2, 2869/2.9=1 HG2 ARG 84 - HB3 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG2 ARG 84 - HB2 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG3 ARG 84 - HB3 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HG3 ARG 84 - HB2 ARG 70 OK 12 85 - 14 - 2845/3.0=1 HB2 LEU 86 - HB2 ARG 70 OK 12 100 - 12 - 2869/2.9=1 HB2 LEU 86 - HB3 ARG 70 OK 12 100 - 12 - 2869/2.9=1 HG2 ARG 17 - HB3 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG2 ARG 17 - HB2 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG3 ARG 17 - HB3 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HG3 ARG 17 - HB2 ARG 70 OK 12 99 - 12 - 2869/2.9=1 HD2 LYS 73 - HB2 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD3 LYS 73 - HB3 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD3 LYS 73 - HB2 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HD2 LYS 73 - HB3 ARG 70 OK 11 100 - 11 - 2845/3.0=2, ~5983=1...(5) HG LEU 86 - HB3 ARG 70 OK 11 93 - 12 - 2869/2.9=1 HG LEU 86 - HB2 ARG 70 OK 11 93 - 12 - 2869/2.9=1 HG2 ARG 27 - HB3 ARG 66 poor 9 70 - 13 - HG3 ARG 27 - HB3 ARG 66 poor 9 68 - 13 - HB3 LEU 62 - HB2 ARG 70 lone 7 73 - 10 - 4.6/4685=2 HB3 LEU 62 - HB3 ARG 70 lone 7 73 - 10 - 4.6/4685=2 HD3 LYS 32 - HB3 ARG 66 lone 7 89 - 8 - 6.1/91=1 HD2 LYS 32 - HB3 ARG 66 lone 7 89 - 8 - 6.1/91=1 HG2 ARG 27 - HB3 ARG 70 lone 7 85 - 8 - HG2 ARG 27 - HB2 ARG 70 lone 7 85 - 8 - HG2 ARG 17 - HB3 ARG 66 lone 7 87 - 7 - HG3 ARG 17 - HB3 ARG 66 lone 6 86 - 7 - HG3 ARG 27 - HB2 ARG 70 lone 6 83 - 8 - HG3 ARG 27 - HB3 ARG 70 lone 6 83 - 8 - HB3 LEU 51 - HB3 ARG 70 lone 5 95 - 5 - HB3 LEU 51 - HB2 ARG 70 lone 5 95 - 5 - HB3 LEU 62 - HB3 ARG 66 lone 3 59 - 6 - HD3 LYS 73 - HB3 ARG 66 lone 3 89 - 4 - HD2 LYS 73 - HB3 ARG 66 lone 3 89 - 4 - HG LEU 86 - HB3 ARG 66 lone 3 79 - 4 - HB2 LEU 86 - HB3 ARG 66 lone 3 89 - 3 - HB3 LEU 51 - HB3 ARG 66 lone 2 80 - 2 - HG3 ARG 84 - HB3 ARG 66 lone 2 70 - 2 - HG2 ARG 84 - HB3 ARG 66 lone 2 70 - 2 - HD2 LYS 39 - HB3 ARG 66 lone 1 48 - 3 - HD2 LYS 39 - HB2 ARG 70 lone 1 60 - 2 - HD2 LYS 39 - HB3 ARG 70 lone 1 60 - 2 - Peak 2862 from cnoeabs.peaks (3.21, 1.95, 29.80 ppm; 3.68 A): 12 out of 15 assignments used, quality = 1.00: HD2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 * HD2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 - 100 - 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 70 70 - 100 - 3.4=100 HD2 ARG 66 + HB3 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB2 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 62 85 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB2 ARG 70 OK 62 85 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 3.0/2867=6, 3.0/2874=3...(38) HD3 ARG 70 + HB3 ARG 66 OK 57 89 - 65 - 3.0/2867=6, 3.0/2875=3...(37) HD3 ARG 71 - HB2 ARG 70 OK 24 99 - 25 - 5.8/305=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 70 OK 24 99 - 25 - 5.8/305=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 66 OK 18 87 - 21 - 5.8/305=2, 4.7/5372=2 Peak 2863 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 12 out of 18 assignments used, quality = 1.00: HD3 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 * HD3 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 - 100 - 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 74 74 - 100 - 3.4=100 HD2 ARG 66 + HB2 ARG 70 OK 67 92 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 66 + HB3 ARG 70 OK 67 92 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB3 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD3 ARG 66 + HB2 ARG 70 OK 65 89 - 73 - 3.0/2709=6, 3.0/2701=6...(49) HD2 ARG 70 + HB3 ARG 66 OK 58 89 - 65 - 3.0/2867=6, 3.0/2874=3...(38) HD3 ARG 70 + HB3 ARG 66 OK 57 89 - 65 - 3.0/2866=6, 3.0/2875=3...(37) HD3 ARG 71 - HB2 ARG 70 OK 25 100 - 25 - 5.8/306=4, 2870/2.9=2...(7) HD3 ARG 71 - HB3 ARG 70 OK 25 100 - 25 - 5.8/306=4, 2870/2.9=2...(7) HD3 ARG 26 - HB3 ARG 66 OK 19 48 - 41 - 2712/2.8=2, 3.5/2685=2...(19) HD3 ARG 71 - HB3 ARG 66 OK 19 88 - 21 - 5.8/306=2, 4.7/5372=2 HD3 ARG 26 - HB3 ARG 70 poor 8 60 - 13 - 5833/4.4=1 HD3 ARG 26 - HB2 ARG 70 poor 8 60 - 13 - 5833/4.4=1 Peak 2864 from cnoeabs.peaks (7.95, 1.71, 27.11 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.94: * H ARG 70 + HG2 ARG 70 OK 89 100 - 89 - 4.9=63, 2.9/2865=19...(15) H ASP 67 + HG2 ARG 70 OK 46 78 - 59 - 3.0/5052=15, 3.6/2865=8...(18) H LYS 32 - HG2 ARG 70 OK 25 96 - 26 - 2840/4.0=3, 3.0/2865=3...(8) H LEU 29 - HG2 ARG 70 OK 21 100 - 21 - 546=4, 303/5.0=3...(6) H ALA 63 - HG2 ARG 70 OK 18 71 - 25 - 3.0/4683=3, 4685/2.9=2...(12) H VAL 76 - HG2 ARG 70 OK 17 99 - 18 - 2840/4.0=3, 4.6/5488=3...(8) Peak 2865 from cnoeabs.peaks (4.00, 1.71, 27.11 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.99: * HA ARG 70 + HG2 ARG 70 OK 99 100 - 99 - 4.0=97, 2.9/2864=11...(16) HA ARG 66 + HG2 ARG 70 OK 46 71 - 66 - 2679=8, 3.0/2867=7...(26) HA LYS 32 - HG2 ARG 70 OK 15 71 - 21 - 3.0/2864=3, 767/4.9=2...(6) HA ARG 54 - HG2 ARG 70 lone 5 99 - 5 - HB2 SER 22 - HG2 ARG 70 lone 4 98 - 4 - HA PHE 48 - HG2 ARG 70 lone 4 65 - 6 - Peak 2866 from cnoeabs.peaks (1.95, 1.71, 27.11 ppm; 3.33 A): 3 out of 8 assignments used, quality = 1.00: * HB2 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 66 + HG2 ARG 70 OK 59 95 - 63 - 3.0/2865=6, 2.8/2703=5...(28) HB2 LEU 64 - HG2 ARG 70 OK 21 89 - 23 - 2622=3, 3.0/2615=2...(10) HB2 MET 31 - HG2 ARG 70 lone 6 85 - 7 - 4.7/2864=1 HG LEU 57 - HG2 ARG 70 lone 5 100 - 5 - HB VAL 41 - HG2 ARG 70 lone 4 71 - 5 - HB2 GLN 79 - HG2 ARG 70 lone 3 96 - 3 - Peak 2867 from cnoeabs.peaks (1.95, 1.71, 27.11 ppm; 3.33 A): 3 out of 8 assignments used, quality = 1.00: HB2 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 2.9=100 * HB3 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 66 + HG2 ARG 70 OK 59 95 - 63 - 3.0/2865=6, 2.8/2703=5...(28) HB2 LEU 64 - HG2 ARG 70 OK 21 89 - 23 - 2622=3, 3.0/2615=2...(10) HB2 MET 31 - HG2 ARG 70 lone 6 85 - 7 - 4.7/2864=1 HG LEU 57 - HG2 ARG 70 lone 5 100 - 5 - HB VAL 41 - HG2 ARG 70 lone 4 71 - 5 - HB2 GLN 79 - HG2 ARG 70 lone 3 96 - 3 - Peak 2868 from cnoeabs.peaks (1.71, 1.71, 27.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 70 + HG2 ARG 70 OK 100 100 - 100 Peak 2869 from cnoeabs.peaks (1.61, 1.71, 27.11 ppm; 2.54 A): 1 out of 18 assignments used, quality = 1.00: * HG3 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 1.8=100 HG2 ARG 71 - HG2 ARG 70 OK 16 99 - 16 - 5.0/307=2, 3.8/5395=2 HB2 LEU 86 - HG2 ARG 70 lone 6 100 - 6 - HD3 LYS 32 - HG2 ARG 70 lone 6 100 - 6 - HD2 LYS 32 - HG2 ARG 70 lone 6 100 - 6 - HG LEU 86 - HG2 ARG 70 lone 6 93 - 6 - HG2 ARG 26 - HG2 ARG 70 lone 6 98 - 6 - HG2 ARG 17 - HG2 ARG 70 lone 5 99 - 5 - HG3 ARG 17 - HG2 ARG 70 lone 5 99 - 5 - HG2 ARG 84 - HG2 ARG 70 lone 5 85 - 5 - HG3 ARG 84 - HG2 ARG 70 lone 5 85 - 5 - HD3 LYS 73 - HG2 ARG 70 lone 4 100 - 4 - HD2 LYS 73 - HG2 ARG 70 lone 4 100 - 4 - HB3 LEU 62 - HG2 ARG 70 lone 3 73 - 4 - HG2 ARG 27 - HG2 ARG 70 lone 3 85 - 3 - HG3 ARG 27 - HG2 ARG 70 lone 2 83 - 3 - HB3 LEU 51 - HG2 ARG 70 lone 2 95 - 2 - HD2 LYS 39 - HG2 ARG 70 lone 0 60 - 1 - Peak 2870 from cnoeabs.peaks (3.21, 1.71, 27.11 ppm; 3.48 A): 4 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 + HG2 ARG 70 OK 49 89 - 56 - 3.0/2703=6, 3.4/2867=5...(25) HD3 ARG 66 + HG2 ARG 70 OK 47 85 - 56 - 3.0/2703=6, 3.4/2866=5...(27) HD3 ARG 71 - HG2 ARG 70 OK 22 99 - 22 - 5.8/307=3, 3.0/2869=3...(5) Peak 2871 from cnoeabs.peaks (3.20, 1.71, 27.11 ppm; 3.48 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 70 + HG2 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 + HG2 ARG 70 OK 51 92 - 56 - 3.0/2703=6, 3.4/2867=5...(25) HD3 ARG 66 + HG2 ARG 70 OK 49 89 - 56 - 3.0/2703=6, 3.4/2867=5...(27) HD3 ARG 71 - HG2 ARG 70 OK 22 100 - 22 - 5.8/307=3, 3.0/2869=3...(4) HD3 ARG 26 - HG2 ARG 70 poor 6 60 - 10 - 3.0/2869=1, 5833/5.0=1 Peak 2872 from cnoeabs.peaks (7.95, 1.61, 27.11 ppm; 4.51 A): 2 out of 54 assignments used, quality = 0.97: * H ARG 70 + HG3 ARG 70 OK 94 100 - 94 - 4.9=77, 2864/1.8=18...(15) H ASP 67 + HG3 ARG 70 OK 43 78 - 56 - ~5052=12, 2864/1.8=9...(16) H LEU 29 - HG LEU 86 OK 41 89 - 47 - 549/2.1=9, 550/2.1=8...(17) H LYS 32 - HG3 ARG 70 OK 28 96 - 29 - 2864/1.8=5, 2840/4.0=4...(8) H LEU 29 - HG2 ARG 84 OK 20 73 - 28 - 546/3.0=4, 76/5.0=4...(7) H LEU 29 - HG3 ARG 84 OK 20 73 - 28 - 546/3.0=4, 76/5.0=4...(7) H ALA 63 - HG3 ARG 70 OK 19 71 - 27 - 2864/1.8=3, 4685/2.9=3...(12) H VAL 76 - HG3 ARG 70 OK 19 99 - 19 - 2840/4.0=4, 2864/1.8=3...(7) H LEU 29 - HG3 ARG 70 OK 18 100 - 18 - 2864/1.8=4, 303/5.0=3 H ARG 70 - HG2 ARG 84 OK 15 73 - 21 - 297/3.0=3, 770/3.0=2...(10) H ARG 70 - HG3 ARG 84 OK 15 73 - 21 - 297/3.0=3, 770/3.0=2...(10) H ARG 70 - HG LEU 86 OK 15 89 - 17 - 5831/2.1=3, 771=2...(5) H ALA 63 - HG LEU 86 OK 13 57 - 24 - 260/2.1=4, ~4681=2...(11) H ARG 70 - HG2 ARG 17 OK 11 99 - 11 - 4.6/778=1, 771=1...(4) H ARG 70 - HG3 ARG 17 OK 11 99 - 11 - 4.6/778=1, 771=1...(4) H ALA 63 - HG2 ARG 17 poor 9 69 - 13 - 5779/5.0=3, 4690/4.0=2...(4) H ALA 63 - HG3 ARG 17 poor 9 68 - 13 - 5779/5.0=3, 4690/4.0=2...(4) H LEU 29 - HG2 ARG 27 poor 8 73 - 11 - 4184/3.8=5, 4.6/72=3 H LEU 29 - HG3 ARG 27 poor 8 71 - 11 - 4184/3.8=5, 4.6/72=3 H ARG 70 - HG2 ARG 26 poor 8 58 - 14 - 4.6/778=3, 771=2...(4) H LYS 32 - HG LEU 86 lone 7 81 - 9 - 1511/2.1=2 H LEU 29 - HG2 ARG 26 poor 7 58 - 12 - 4184/3.7=5, 4.6/72=2 H ASP 67 - HG2 ARG 26 poor 7 39 - 17 - 5808/3.7=4, 278/3.0=2...(6) H ARG 70 - HG2 ARG 27 lone 6 73 - 9 - 4.6/778=1 H LYS 32 - HG2 ARG 17 lone 6 94 - 6 - H LYS 32 - HG3 ARG 17 lone 6 93 - 6 - H ARG 70 - HG3 ARG 27 lone 6 71 - 8 - 4.6/778=1 H VAL 76 - HG2 ARG 84 lone 5 70 - 8 - 5431/3.9=2, 5411/5.0=1 H VAL 76 - HG3 ARG 84 lone 5 70 - 8 - 5431/3.9=2, 5411/5.0=1 H LYS 32 - HG3 ARG 84 lone 5 66 - 8 - H LYS 32 - HG2 ARG 84 lone 5 66 - 8 - H VAL 76 - HG2 ARG 27 lone 5 70 - 7 - 340/2.9=2, 340/2.9=2, 5386/3.8=1 H VAL 76 - HG3 ARG 27 lone 5 68 - 7 - 340/2.9=2, 340/2.9=2, 5386/3.8=1 H LEU 29 - HG2 ARG 17 lone 5 99 - 5 - H ALA 63 - HG2 ARG 26 poor 5 34 - 14 - 725/3.7=2, 256/1.8=2...(5) H LEU 29 - HG3 ARG 17 lone 5 99 - 5 - H ASP 67 - HG2 ARG 27 lone 4 50 - 9 - 3.0/5050=1 H ASP 67 - HG3 ARG 27 lone 4 48 - 9 - 3.0/5050=1 H ASP 67 - HG2 ARG 17 lone 4 76 - 5 - H ASP 67 - HG3 ARG 17 lone 4 76 - 5 - H VAL 76 - HG LEU 86 lone 4 86 - 4 - H ASP 67 - HG LEU 86 lone 4 63 - 6 - 5803/2.1=1 H LYS 32 - HG2 ARG 26 lone 3 52 - 7 - H LYS 32 - HG2 ARG 27 lone 3 66 - 5 - H LYS 32 - HG3 ARG 27 lone 3 64 - 5 - H ALA 63 - HG2 ARG 84 lone 3 44 - 7 - H ALA 63 - HG3 ARG 84 lone 3 44 - 7 - H VAL 76 - HG2 ARG 17 lone 3 98 - 3 - H VAL 76 - HG3 ARG 17 lone 3 97 - 3 - H ASP 67 - HG2 ARG 84 lone 2 50 - 5 - H ASP 67 - HG3 ARG 84 lone 2 50 - 5 - H ALA 63 - HG2 ARG 27 lone 2 44 - 5 - H ALA 63 - HG3 ARG 27 lone 2 43 - 5 - H VAL 76 - HG2 ARG 26 lone 2 56 - 3 - Peak 2873 from cnoeabs.peaks (4.00, 1.61, 27.11 ppm; 3.88 A): 1 out of 54 assignments used, quality = 0.97: * HA ARG 70 + HG3 ARG 70 OK 97 100 - 97 - 4.0=94, 2865/1.8=21...(16) HA ARG 66 - HG3 ARG 70 OK 41 71 - 58 - 2865/1.8=10, 2677/2.9=4...(27) HA LYS 32 - HG3 ARG 70 OK 14 71 - 20 - 2865/1.8=3, ~2864=2...(7) HA ARG 70 - HG3 ARG 84 OK 12 73 - 16 - 2845=2, 5984/3.0=2...(5) HA ARG 70 - HG2 ARG 84 OK 12 73 - 16 - 2845=2, 5984/3.0=2...(5) HA ARG 70 - HG LEU 86 OK 11 89 - 13 - 2845=2, ~5831=1, 4.0/2869=1 HA ARG 70 - HG2 ARG 17 OK 11 99 - 11 - 2845=2, 3.6/778=1, 2845/1.8=1 HA ARG 70 - HG3 ARG 17 OK 11 99 - 11 - 2845=2, 3.6/778=1, 2845/1.8=1 HA ARG 66 - HG2 ARG 26 poor 9 34 - 26 - 2676/3.0=2, 2676/3.0=2...(9) HA ARG 70 - HG2 ARG 26 poor 7 58 - 13 - 3.6/778=3, 2845=2...(4) HA ARG 54 - HG LEU 86 lone 7 87 - 8 - HA PHE 48 - HG LEU 86 poor 6 52 - 11 - 4468/2.1=2, ~4461=1...(4) HA ARG 70 - HG2 ARG 27 lone 6 73 - 8 - 3.6/778=1 HA ARG 70 - HG3 ARG 27 lone 5 71 - 8 - 3.6/778=1 HA ARG 54 - HG3 ARG 70 lone 5 99 - 5 - 2865/1.8=1 HA PHE 48 - HG2 ARG 84 poor 5 40 - 12 - 2139/2.9=2, 2139/2.9=1...(5) HA PHE 48 - HG3 ARG 84 poor 5 40 - 12 - 2139/2.9=2, 2139/2.9=1...(5) HB2 SER 22 - HG3 ARG 70 lone 5 98 - 5 - HB2 SER 22 - HG2 ARG 27 lone 5 69 - 7 - 5499/2.9=2, 5499/2.9=2 HB2 SER 22 - HG3 ARG 27 lone 5 67 - 7 - 5499/2.9=2, 5499/2.9=2 HA ARG 66 - HG2 ARG 27 lone 4 44 - 9 - HA ARG 66 - HG3 ARG 27 lone 4 43 - 9 - HA LYS 32 - HG2 ARG 17 lone 4 69 - 6 - HA LYS 32 - HG3 ARG 17 lone 4 68 - 6 - HA ARG 66 - HG2 ARG 17 lone 4 69 - 5 - HA ARG 66 - HG3 ARG 17 lone 4 68 - 5 - HA ARG 54 - HG2 ARG 84 lone 4 71 - 5 - HA ARG 54 - HG3 ARG 84 lone 4 71 - 5 - HA PHE 48 - HG3 ARG 70 lone 3 65 - 5 - HA LYS 32 - HG2 ARG 84 lone 3 44 - 8 - HA LYS 32 - HG3 ARG 84 lone 3 44 - 8 - HA LYS 32 - HG LEU 86 lone 3 57 - 5 - HA ARG 54 - HG2 ARG 17 lone 2 98 - 2 - HA ARG 54 - HG3 ARG 17 lone 2 98 - 2 - HB2 SER 22 - HG2 ARG 17 lone 2 97 - 2 - HB2 SER 22 - HG2 ARG 84 lone 2 69 - 3 - HB2 SER 22 - HG3 ARG 84 lone 2 69 - 3 - HB2 SER 22 - HG3 ARG 17 lone 2 96 - 2 - HA LYS 32 - HG2 ARG 26 lone 2 34 - 5 - HA LYS 32 - HG2 ARG 27 lone 2 44 - 4 - HA ARG 66 - HG LEU 86 lone 2 57 - 3 - HA LYS 32 - HG3 ARG 27 lone 2 43 - 4 - HB2 SER 22 - HG LEU 86 lone 2 84 - 2 - HB2 SER 22 - HG2 ARG 26 lone 1 55 - 2 - HA PHE 48 - HG2 ARG 17 lone 1 64 - 2 - HA PHE 48 - HG3 ARG 17 lone 1 63 - 2 - HA ARG 54 - HG2 ARG 26 lone 1 57 - 2 - HA ARG 66 - HG2 ARG 84 lone 1 44 - 2 - HA ARG 66 - HG3 ARG 84 lone 1 44 - 2 - HA ARG 54 - HG2 ARG 27 lone 1 71 - 1 - HA ARG 54 - HG3 ARG 27 lone 1 69 - 1 - HA PHE 48 - HG2 ARG 26 lone 0 31 - 1 - HA PHE 48 - HG2 ARG 27 lone 0 40 - 1 - HA PHE 48 - HG3 ARG 27 lone 0 39 - 1 - Peak 2874 from cnoeabs.peaks (1.95, 1.61, 27.11 ppm; 3.43 A): 3 out of 72 assignments used, quality = 1.00: * HB2 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 66 + HG3 ARG 70 OK 56 95 - 60 - 2866/1.8=7, ~2865=4...(33) HB2 LEU 64 - HG3 ARG 70 OK 17 89 - 19 - 2866/1.8=3, 5016/4.9=1...(6) HB3 ARG 66 - HG2 ARG 26 OK 16 51 - 31 - 2692/3.0=2, 2692/3.0=2...(9) HB2 LEU 64 - HG LEU 86 OK 15 73 - 21 - 2624/2.1=3, ~2631=2...(5) HB2 LEU 64 - HG2 ARG 17 OK 13 87 - 15 - 3915/5.0=2, 2620/4.0=1 HB2 LEU 64 - HG3 ARG 17 OK 13 86 - 15 - 3915/5.0=2, 2620/4.0=1 HB2 ARG 70 - HG2 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG2 ARG 17 OK 10 99 - 10 - HB2 ARG 70 - HG3 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG3 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG LEU 86 poor 10 89 - 11 - 2.9/2869=1 HB2 ARG 70 - HG LEU 86 poor 10 89 - 11 - 2.9/2869=1 HB2 ARG 70 - HG3 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG2 ARG 84 poor 9 73 - 12 - HB2 ARG 70 - HG2 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG3 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG2 ARG 26 poor 8 58 - 13 - 4.4/778=2, 2.9/2869=1 HB2 ARG 70 - HG2 ARG 26 poor 8 58 - 13 - 4.4/778=2, 2.9/2869=1 HB3 ARG 66 - HG2 ARG 27 poor 8 64 - 12 - HB3 ARG 66 - HG3 ARG 27 poor 7 62 - 12 - HB2 LEU 64 - HG2 ARG 27 poor 6 59 - 11 - ~5161=1, 3.1/5161=1, ~5100=1 HB3 ARG 66 - HG2 ARG 17 lone 6 93 - 6 - HB2 LEU 64 - HG3 ARG 27 poor 6 57 - 11 - ~5161=1, 3.1/5161=1, ~5100=1 HB3 ARG 66 - HG3 ARG 17 lone 6 92 - 6 - HG LEU 57 - HG3 ARG 70 lone 5 100 - 5 - HB2 MET 31 - HG3 ARG 70 lone 5 85 - 6 - HB3 ARG 70 - HG2 ARG 27 lone 5 73 - 7 - HB2 ARG 70 - HG2 ARG 27 lone 5 73 - 7 - HB2 ARG 70 - HG3 ARG 27 lone 5 71 - 7 - HB3 ARG 70 - HG3 ARG 27 lone 5 71 - 7 - HB2 MET 31 - HG LEU 86 lone 4 70 - 5 - 6121/2.1=2 HB VAL 41 - HG3 ARG 70 lone 3 71 - 5 - 2.1/4345=1 HB2 GLN 79 - HG3 ARG 70 lone 3 96 - 3 - HG LEU 57 - HG LEU 86 lone 3 89 - 3 - HB3 ARG 66 - HG LEU 86 lone 3 80 - 4 - HB2 LEU 64 - HG2 ARG 26 lone 2 46 - 4 - HG LEU 57 - HG2 ARG 26 lone 2 58 - 3 - HB2 LEU 64 - HG2 ARG 84 lone 1 59 - 3 - HB2 LEU 64 - HG3 ARG 84 lone 1 59 - 3 - HG LEU 57 - HG2 ARG 27 lone 1 73 - 2 - HG LEU 57 - HG3 ARG 27 lone 1 71 - 2 - HG LEU 57 - HG2 ARG 17 lone 1 99 - 1 - HB3 ARG 66 - HG2 ARG 84 lone 1 64 - 2 - HB3 ARG 66 - HG3 ARG 84 lone 1 64 - 2 - HG LEU 57 - HG3 ARG 17 lone 1 99 - 1 - HB2 GLN 79 - HG2 ARG 84 lone 1 66 - 2 - HB2 GLN 79 - HG3 ARG 84 lone 1 66 - 2 - HB VAL 41 - HG2 ARG 17 lone 1 69 - 1 - HB VAL 41 - HG3 ARG 17 lone 1 68 - 1 - HB2 MET 31 - HG2 ARG 17 lone 1 83 - 1 - HB2 MET 31 - HG3 ARG 17 lone 1 82 - 1 - HB2 GLN 79 - HG2 ARG 17 lone 1 94 - 1 - HB2 GLN 79 - HG3 ARG 17 lone 1 93 - 1 - HB2 GLN 79 - HG LEU 86 lone 1 81 - 1 - HG LEU 57 - HG2 ARG 84 lone 1 73 - 1 - HG LEU 57 - HG3 ARG 84 lone 1 73 - 1 - HB2 MET 31 - HG2 ARG 26 lone 1 43 - 2 - HB VAL 41 - HG LEU 86 lone 1 57 - 1 - HB2 MET 31 - HG2 ARG 27 lone 1 55 - 1 - HB2 MET 31 - HG3 ARG 27 lone 1 53 - 1 - HB VAL 41 - HG2 ARG 84 lone 1 44 - 1 - HB VAL 41 - HG3 ARG 84 lone 1 44 - 1 - HB VAL 41 - HG2 ARG 27 lone 1 44 - 1 - HB VAL 41 - HG3 ARG 27 lone 1 43 - 1 - HB2 GLN 79 - HG2 ARG 26 lone 1 52 - 1 - HB2 MET 31 - HG2 ARG 84 lone 1 55 - 1 - HB2 MET 31 - HG3 ARG 84 lone 1 55 - 1 - HB2 GLN 79 - HG2 ARG 27 lone 1 66 - 1 - HB2 GLN 79 - HG3 ARG 27 lone 0 64 - 1 - HB VAL 41 - HG2 ARG 26 lone 0 34 - 1 - Peak 2875 from cnoeabs.peaks (1.95, 1.61, 27.11 ppm; 3.43 A): 3 out of 72 assignments used, quality = 1.00: HB2 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 2.9=100 * HB3 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 2.9=100 HB3 ARG 66 + HG3 ARG 70 OK 56 95 - 60 - 2866/1.8=7, ~2865=4...(33) HB2 LEU 64 - HG3 ARG 70 OK 17 89 - 19 - 2866/1.8=3, 5016/4.9=1...(6) HB3 ARG 66 - HG2 ARG 26 OK 16 51 - 31 - 2692/3.0=2, 2692/3.0=2...(9) HB2 LEU 64 - HG LEU 86 OK 15 73 - 21 - 2624/2.1=3, ~2631=2...(5) HB2 LEU 64 - HG2 ARG 17 OK 13 87 - 15 - 3915/5.0=2, 2620/4.0=1 HB2 LEU 64 - HG3 ARG 17 OK 13 86 - 15 - 3915/5.0=2, 2620/4.0=1 HB2 ARG 70 - HG2 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG2 ARG 17 OK 10 99 - 10 - HB2 ARG 70 - HG3 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG3 ARG 17 OK 10 99 - 10 - HB3 ARG 70 - HG LEU 86 poor 10 89 - 11 - 2.9/2869=1 HB2 ARG 70 - HG LEU 86 poor 10 89 - 11 - 2.9/2869=1 HB2 ARG 70 - HG3 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG2 ARG 84 poor 9 73 - 12 - HB2 ARG 70 - HG2 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG3 ARG 84 poor 9 73 - 12 - HB3 ARG 70 - HG2 ARG 26 poor 8 58 - 13 - 4.4/778=2, 2.9/2869=1 HB2 ARG 70 - HG2 ARG 26 poor 8 58 - 13 - 4.4/778=2, 2.9/2869=1 HB3 ARG 66 - HG2 ARG 27 poor 8 64 - 12 - HB3 ARG 66 - HG3 ARG 27 poor 7 62 - 12 - HB2 LEU 64 - HG2 ARG 27 poor 6 59 - 11 - ~5161=1, 3.1/5161=1, ~5100=1 HB3 ARG 66 - HG2 ARG 17 lone 6 93 - 6 - HB2 LEU 64 - HG3 ARG 27 poor 6 57 - 11 - ~5161=1, 3.1/5161=1, ~5100=1 HB3 ARG 66 - HG3 ARG 17 lone 6 92 - 6 - HG LEU 57 - HG3 ARG 70 lone 5 100 - 5 - HB2 MET 31 - HG3 ARG 70 lone 5 85 - 6 - HB3 ARG 70 - HG2 ARG 27 lone 5 73 - 7 - HB2 ARG 70 - HG2 ARG 27 lone 5 73 - 7 - HB2 ARG 70 - HG3 ARG 27 lone 5 71 - 7 - HB3 ARG 70 - HG3 ARG 27 lone 5 71 - 7 - HB2 MET 31 - HG LEU 86 lone 4 70 - 5 - 6121/2.1=2 HB VAL 41 - HG3 ARG 70 lone 3 71 - 5 - 2.1/4345=1 HB2 GLN 79 - HG3 ARG 70 lone 3 96 - 3 - HG LEU 57 - HG LEU 86 lone 3 89 - 3 - HB3 ARG 66 - HG LEU 86 lone 3 80 - 4 - HB2 LEU 64 - HG2 ARG 26 lone 2 46 - 4 - HG LEU 57 - HG2 ARG 26 lone 2 58 - 3 - HB2 LEU 64 - HG2 ARG 84 lone 1 59 - 3 - HB2 LEU 64 - HG3 ARG 84 lone 1 59 - 3 - HG LEU 57 - HG2 ARG 27 lone 1 73 - 2 - HG LEU 57 - HG3 ARG 27 lone 1 71 - 2 - HG LEU 57 - HG2 ARG 17 lone 1 99 - 1 - HB3 ARG 66 - HG2 ARG 84 lone 1 64 - 2 - HB3 ARG 66 - HG3 ARG 84 lone 1 64 - 2 - HG LEU 57 - HG3 ARG 17 lone 1 99 - 1 - HB2 GLN 79 - HG2 ARG 84 lone 1 66 - 2 - HB2 GLN 79 - HG3 ARG 84 lone 1 66 - 2 - HB VAL 41 - HG2 ARG 17 lone 1 69 - 1 - HB VAL 41 - HG3 ARG 17 lone 1 68 - 1 - HB2 MET 31 - HG2 ARG 17 lone 1 83 - 1 - HB2 MET 31 - HG3 ARG 17 lone 1 82 - 1 - HB2 GLN 79 - HG2 ARG 17 lone 1 94 - 1 - HB2 GLN 79 - HG3 ARG 17 lone 1 93 - 1 - HB2 GLN 79 - HG LEU 86 lone 1 81 - 1 - HG LEU 57 - HG2 ARG 84 lone 1 73 - 1 - HG LEU 57 - HG3 ARG 84 lone 1 73 - 1 - HB2 MET 31 - HG2 ARG 26 lone 1 43 - 2 - HB VAL 41 - HG LEU 86 lone 1 57 - 1 - HB2 MET 31 - HG2 ARG 27 lone 1 55 - 1 - HB2 MET 31 - HG3 ARG 27 lone 1 53 - 1 - HB VAL 41 - HG2 ARG 84 lone 1 44 - 1 - HB VAL 41 - HG3 ARG 84 lone 1 44 - 1 - HB VAL 41 - HG2 ARG 27 lone 1 44 - 1 - HB VAL 41 - HG3 ARG 27 lone 1 43 - 1 - HB2 GLN 79 - HG2 ARG 26 lone 1 52 - 1 - HB2 MET 31 - HG2 ARG 84 lone 1 55 - 1 - HB2 MET 31 - HG3 ARG 84 lone 1 55 - 1 - HB2 GLN 79 - HG2 ARG 27 lone 1 66 - 1 - HB2 GLN 79 - HG3 ARG 27 lone 0 64 - 1 - HB VAL 41 - HG2 ARG 26 lone 0 34 - 1 - Peak 2876 from cnoeabs.peaks (1.71, 1.61, 27.11 ppm; 2.40 A): 1 out of 90 assignments used, quality = 1.00: * HG2 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 1.8=100 HB2 ARG 84 - HG3 ARG 84 OK 37 57 - 66 - 3.0=54, 3379/1.8=5...(9) HB2 ARG 84 - HG2 ARG 84 OK 37 57 - 66 - 3.0=54, 3379/1.8=5...(9) HB2 LEU 29 - HG LEU 86 OK 29 85 - 34 - 1488/2.1=4, 1489/2.1=3...(7) HG3 ARG 66 - HG3 ARG 70 OK 27 95 - 29 - 2709/2.9=2, 2709/2.9=2...(12) HB3 LEU 64 - HG3 ARG 70 poor 10 97 - 10 - 2628/2.9=1, 2628/2.9=1 HB2 LEU 29 - HG3 ARG 84 poor 8 70 - 11 - 1486/1.8=1, 1486=1 HB2 LEU 29 - HG2 ARG 84 poor 8 70 - 11 - 1486/1.8=1, 1486=1 HB3 LEU 64 - HG LEU 86 lone 6 82 - 8 - 2631/2.1=1 HG3 ARG 66 - HG2 ARG 26 poor 6 51 - 12 - 2708/3.0=1, 2708/3.0=1 HG2 ARG 70 - HG LEU 86 lone 6 89 - 7 - 2869=1 HB3 LEU 64 - HG2 ARG 17 lone 6 95 - 6 - HB3 LEU 64 - HG3 ARG 17 lone 6 94 - 6 - HB2 LEU 29 - HG3 ARG 70 lone 6 99 - 6 - HG2 ARG 70 - HG2 ARG 17 lone 5 99 - 5 - 2869=1 HG2 ARG 70 - HG3 ARG 17 lone 5 99 - 5 - 2869=1 HB3 LYS 85 - HG3 ARG 84 lone 5 63 - 8 - 6062/3.9=1, 3385/3.0=1 HB3 LYS 85 - HG2 ARG 84 lone 5 63 - 8 - 6062/3.9=1, 3385/3.0=1 HG2 ARG 70 - HG2 ARG 84 lone 4 73 - 5 - 2869=1 HG2 ARG 70 - HG3 ARG 84 lone 4 73 - 5 - 2869=1 HB2 ARG 84 - HG3 ARG 17 lone 4 84 - 5 - HB2 ARG 84 - HG2 ARG 17 lone 4 85 - 5 - HB2 LEU 43 - HG LEU 86 lone 4 75 - 5 - HB3 LYS 83 - HG3 ARG 84 lone 3 69 - 5 - 369/5.0=1 HB3 LYS 83 - HG2 ARG 84 lone 3 69 - 5 - 369/5.0=1 HB3 LYS 85 - HG LEU 86 lone 3 78 - 4 - 387/5.3=1 HG2 ARG 70 - HG2 ARG 26 lone 3 58 - 6 - 2869=1 HB2 ARG 84 - HG3 ARG 70 lone 3 87 - 3 - HB3 LYS 85 - HG3 ARG 70 lone 3 93 - 3 - HB3 LEU 64 - HG2 ARG 27 lone 3 67 - 4 - HB3 LEU 64 - HG3 ARG 27 lone 3 65 - 4 - HG3 ARG 66 - HG2 ARG 27 lone 3 64 - 4 - HG3 ARG 66 - HG3 ARG 27 lone 3 62 - 4 - HB2 ARG 84 - HG LEU 86 lone 2 71 - 3 - HB2 ARG 82 - HG3 ARG 84 lone 2 63 - 4 - HB2 ARG 82 - HG2 ARG 84 lone 2 63 - 4 - HB2 LEU 43 - HG3 ARG 70 lone 2 90 - 2 - HG2 ARG 70 - HG2 ARG 27 lone 2 73 - 3 - HG2 ARG 70 - HG3 ARG 27 lone 2 71 - 3 - HG3 ARG 66 - HG2 ARG 17 lone 2 93 - 2 - HG3 ARG 66 - HG3 ARG 17 lone 2 92 - 2 - HB2 LEU 29 - HG2 ARG 26 lone 2 55 - 3 - 5348/3.7=1 HB2 LEU 29 - HG2 ARG 17 lone 1 97 - 1 - HB2 LEU 29 - HG3 ARG 17 lone 1 97 - 1 - HB2 ARG 82 - HG2 ARG 17 lone 1 92 - 2 - HB2 ARG 82 - HG3 ARG 17 lone 1 91 - 2 - HB3 LYS 83 - HG3 ARG 70 lone 1 98 - 1 - HB3 LYS 85 - HG2 ARG 17 lone 1 92 - 1 - HB3 LYS 85 - HG3 ARG 17 lone 1 91 - 1 - HB3 LYS 83 - HG LEU 86 lone 1 84 - 1 - HB2 LEU 43 - HG2 ARG 84 lone 1 60 - 2 - HB2 LEU 43 - HG3 ARG 84 lone 1 60 - 2 - HG3 ARG 66 - HG LEU 86 lone 1 80 - 1 - HB2 ARG 82 - HG3 ARG 70 lone 1 93 - 1 - HB3 LEU 64 - HG2 ARG 26 lone 1 53 - 2 - HB2 LEU 29 - HG2 ARG 27 lone 1 70 - 1 - HB2 LEU 29 - HG3 ARG 27 lone 1 68 - 1 - HB2 ARG 84 - HG2 ARG 26 lone 1 45 - 2 - HB2 ARG 84 - HG2 ARG 27 lone 1 57 - 1 - HB3 LEU 64 - HG2 ARG 84 lone 1 67 - 1 - HB3 LEU 64 - HG3 ARG 84 lone 1 67 - 1 - HB2 ARG 84 - HG3 ARG 27 lone 1 55 - 1 - HB3 LYS 83 - HG2 ARG 17 lone 1 97 - 1 - HB3 LYS 83 - HG3 ARG 17 lone 1 96 - 1 - HB2 ARG 82 - HG LEU 86 lone 1 78 - 1 - HB3 LYS 13 - HG3 ARG 70 lone 1 65 - 1 - HB2 LEU 43 - HG2 ARG 17 lone 1 88 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 1 88 - 1 - HB3 LYS 13 - HG LEU 86 lone 1 52 - 1 - HB2 ARG 82 - HG2 ARG 27 lone 1 63 - 1 - HB2 ARG 82 - HG3 ARG 27 lone 0 61 - 1 - HB2 LEU 43 - HG2 ARG 26 lone 0 47 - 1 - HG3 ARG 66 - HG2 ARG 84 lone 0 64 - 1 - HG3 ARG 66 - HG3 ARG 84 lone 0 64 - 1 - HB2 ARG 82 - HG2 ARG 26 lone 0 50 - 1 - HB3 LYS 13 - HG2 ARG 84 lone 0 40 - 1 - HB3 LYS 13 - HG3 ARG 84 lone 0 40 - 1 - HB3 LYS 85 - HG2 ARG 26 lone 0 50 - 1 - HB2 LEU 43 - HG2 ARG 27 lone 0 60 - 1 - HB2 LEU 43 - HG3 ARG 27 lone 0 58 - 1 - HB3 LYS 83 - HG2 ARG 26 lone 0 55 - 1 - HB3 LYS 85 - HG2 ARG 27 lone 0 63 - 0 - HB3 LYS 85 - HG3 ARG 27 lone 0 61 - 0 - HB3 LYS 83 - HG2 ARG 27 lone 0 69 - 0 - HB3 LYS 83 - HG3 ARG 27 lone 0 67 - 0 - HB3 LYS 13 - HG2 ARG 17 lone 0 64 - 0 - HB3 LYS 13 - HG3 ARG 17 lone 0 63 - 0 - HB3 LYS 13 - HG2 ARG 27 lone 0 40 - 0 - HB3 LYS 13 - HG3 ARG 27 lone 0 39 - 0 - HB3 LYS 13 - HG2 ARG 26 lone 0 31 - 0 - Peak 2877 from cnoeabs.peaks (1.61, 1.61, 27.11 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HG3 ARG 70 + HG3 ARG 70 OK 100 100 - 100 HG2 ARG 17 + HG2 ARG 17 OK 98 98 - 100 HG3 ARG 17 + HG3 ARG 17 OK 97 97 - 100 HG LEU 86 + HG LEU 86 OK 78 78 - 100 HG2 ARG 27 + HG2 ARG 27 OK 55 55 - 100 HG2 ARG 84 + HG2 ARG 84 OK 55 55 - 100 HG3 ARG 84 + HG3 ARG 84 OK 55 55 - 100 HG2 ARG 26 + HG2 ARG 26 OK 55 55 - 100 HG3 ARG 27 + HG3 ARG 27 OK 52 52 - 100 Peak 2878 from cnoeabs.peaks (3.21, 1.61, 27.11 ppm; 3.23 A): 2 out of 45 assignments used, quality = 1.00: * HD2 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 3.0=100 HD3 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 - HG3 ARG 70 OK 39 89 - 44 - ~2703=3, 2885=2, ~2867=2...(23) HD3 ARG 66 - HG3 ARG 70 OK 37 85 - 44 - ~2703=3, 2885=2, ~2867=2...(23) HD3 ARG 71 - HG2 ARG 17 OK 23 98 - 24 - 3.0/2932=3, ~2932=1, 2948=1 HD3 ARG 71 - HG3 ARG 17 OK 23 98 - 24 - 3.0/2932=3, ~2932=1, 2948=1 HD3 ARG 71 - HG3 ARG 70 OK 14 99 - 14 - 3.0/2932=2, 5833/5.0=2, ~2869=1 HD3 ARG 71 - HG2 ARG 26 OK 14 57 - 25 - 3.0/2932=3, ~1394=2...(4) HD3 ARG 71 - HG2 ARG 27 poor 9 71 - 13 - 3.0/2932=1 HD2 ARG 66 - HG2 ARG 26 poor 9 46 - 21 - 2885=1 HD3 ARG 71 - HG3 ARG 27 poor 9 69 - 13 - 3.0/2932=1 HD3 ARG 66 - HG2 ARG 26 poor 9 43 - 21 - 2885=1 HD2 ARG 70 - HG LEU 86 lone 8 89 - 9 - 5832/2.1=1, 3.0/2869=1 HD3 ARG 70 - HG LEU 86 lone 8 89 - 9 - 5832/2.1=1, 3.0/2869=1 HD2 ARG 70 - HG2 ARG 17 lone 7 99 - 7 - HD3 ARG 70 - HG2 ARG 17 lone 7 99 - 7 - HD2 ARG 70 - HG3 ARG 17 lone 7 99 - 7 - HD3 ARG 70 - HG3 ARG 17 lone 7 99 - 7 - HD3 ARG 71 - HG2 ARG 84 lone 7 71 - 10 - HD3 ARG 71 - HG3 ARG 84 lone 7 71 - 10 - HD2 ARG 70 - HG2 ARG 84 lone 5 73 - 7 - HD2 ARG 70 - HG3 ARG 84 lone 5 73 - 7 - HD3 ARG 70 - HG2 ARG 84 lone 5 73 - 7 - HD3 ARG 70 - HG3 ARG 84 lone 5 73 - 7 - HD2 ARG 66 - HG2 ARG 27 lone 5 59 - 9 - HD2 ARG 66 - HG3 ARG 27 lone 5 57 - 9 - HD3 ARG 66 - HG2 ARG 27 lone 5 55 - 9 - HD3 ARG 66 - HG3 ARG 27 lone 5 53 - 9 - HD2 ARG 66 - HG2 ARG 17 lone 4 87 - 5 - HD2 ARG 66 - HG3 ARG 17 lone 4 86 - 5 - HD2 ARG 70 - HG2 ARG 26 lone 4 58 - 7 - HD3 ARG 66 - HG2 ARG 17 lone 4 83 - 5 - HD3 ARG 66 - HG3 ARG 17 lone 4 82 - 5 - HD3 ARG 70 - HG2 ARG 26 lone 4 58 - 7 - HD2 ARG 70 - HG2 ARG 27 lone 3 73 - 4 - HD3 ARG 70 - HG2 ARG 27 lone 3 73 - 4 - HD2 ARG 70 - HG3 ARG 27 lone 3 71 - 4 - HD3 ARG 70 - HG3 ARG 27 lone 3 71 - 4 - HD3 ARG 71 - HG LEU 86 lone 3 87 - 3 - HD2 ARG 66 - HG LEU 86 lone 3 73 - 3 - HD3 ARG 66 - HG LEU 86 lone 2 70 - 3 - HD2 ARG 66 - HG3 ARG 84 lone 1 59 - 2 - HD2 ARG 66 - HG2 ARG 84 lone 1 59 - 2 - HD3 ARG 66 - HG3 ARG 84 lone 1 55 - 1 - HD3 ARG 66 - HG2 ARG 84 lone 1 55 - 1 - Peak 2879 from cnoeabs.peaks (3.20, 1.61, 27.11 ppm; 3.23 A): 2 out of 54 assignments used, quality = 1.00: * HD3 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 70 + HG3 ARG 70 OK 100 100 - 100 - 3.0=100 HD2 ARG 66 - HG3 ARG 70 OK 40 92 - 44 - ~2703=3, 2885=2, ~2867=2...(23) HD3 ARG 66 - HG3 ARG 70 OK 39 89 - 44 - ~2703=3, 2885=2, ~2867=2...(23) HD3 ARG 26 - HG2 ARG 26 OK 28 28 - 100 - 3.0=100 HD3 ARG 71 - HG2 ARG 17 OK 24 99 - 24 - 3.0/2932=3, ~2932=1, 2948=1 HD3 ARG 71 - HG3 ARG 17 OK 23 99 - 24 - 3.0/2932=3, ~2932=1, 2948=1 HD3 ARG 71 - HG3 ARG 70 OK 14 100 - 14 - 3.0/2932=2, 5833/5.0=2, ~2869=1 HD3 ARG 71 - HG2 ARG 26 OK 14 58 - 25 - 3.0/2932=3, ~1394=2...(4) HD3 ARG 26 - HG2 ARG 17 OK 11 58 - 18 - 3.0/1394=2 HD3 ARG 26 - HG3 ARG 17 OK 10 58 - 18 - 3.0/1394=2 HD2 ARG 66 - HG2 ARG 26 poor 10 48 - 21 - 2885=1 HD3 ARG 71 - HG2 ARG 27 poor 10 72 - 13 - 3.0/2932=1 HD3 ARG 71 - HG3 ARG 27 poor 9 70 - 13 - 3.0/2932=1 HD3 ARG 66 - HG2 ARG 26 poor 9 46 - 21 - 2885=1 HD2 ARG 70 - HG LEU 86 lone 8 89 - 9 - 5832/2.1=1, 3.0/2869=1 HD3 ARG 70 - HG LEU 86 lone 8 89 - 9 - 5832/2.1=1, 3.0/2869=1 HD3 ARG 26 - HG2 ARG 27 poor 8 37 - 22 - 3.0/1394=2, ~1394=1 HD3 ARG 26 - HG3 ARG 27 poor 8 35 - 22 - 3.0/1394=2, ~1394=1 HD2 ARG 70 - HG2 ARG 17 lone 7 99 - 7 - HD3 ARG 70 - HG2 ARG 17 lone 7 99 - 7 - HD2 ARG 70 - HG3 ARG 17 lone 7 99 - 7 - HD3 ARG 70 - HG3 ARG 17 lone 7 99 - 7 - HD3 ARG 71 - HG2 ARG 84 lone 7 72 - 10 - HD3 ARG 71 - HG3 ARG 84 lone 7 72 - 10 - HD2 ARG 66 - HG2 ARG 27 lone 6 62 - 9 - HD3 ARG 70 - HG3 ARG 84 lone 5 73 - 7 - HD3 ARG 70 - HG2 ARG 84 lone 5 73 - 7 - HD2 ARG 70 - HG3 ARG 84 lone 5 73 - 7 - HD2 ARG 70 - HG2 ARG 84 lone 5 73 - 7 - HD2 ARG 66 - HG3 ARG 27 lone 5 60 - 9 - HD3 ARG 66 - HG2 ARG 27 lone 5 59 - 9 - HD3 ARG 66 - HG3 ARG 27 lone 5 57 - 9 - HD2 ARG 66 - HG2 ARG 17 lone 5 90 - 5 - HD2 ARG 66 - HG3 ARG 17 lone 5 89 - 5 - HD3 ARG 66 - HG2 ARG 17 lone 4 87 - 5 - HD3 ARG 66 - HG3 ARG 17 lone 4 86 - 5 - HD2 ARG 70 - HG2 ARG 26 lone 4 58 - 7 - HD3 ARG 70 - HG2 ARG 26 lone 4 58 - 7 - HD3 ARG 26 - HG3 ARG 70 lone 4 60 - 7 - HD3 ARG 70 - HG2 ARG 27 lone 3 73 - 4 - HD2 ARG 70 - HG2 ARG 27 lone 3 73 - 4 - HD3 ARG 70 - HG3 ARG 27 lone 3 71 - 4 - HD2 ARG 70 - HG3 ARG 27 lone 3 71 - 4 - HD3 ARG 71 - HG LEU 86 lone 3 88 - 3 - HD2 ARG 66 - HG LEU 86 lone 3 77 - 3 - HD3 ARG 66 - HG LEU 86 lone 3 73 - 3 - HD3 ARG 26 - HG LEU 86 lone 2 47 - 5 - HD3 ARG 26 - HG3 ARG 84 lone 2 37 - 5 - HD3 ARG 26 - HG2 ARG 84 lone 2 37 - 5 - HD2 ARG 66 - HG2 ARG 84 lone 1 62 - 2 - HD2 ARG 66 - HG3 ARG 84 lone 1 62 - 2 - HD3 ARG 66 - HG3 ARG 84 lone 1 59 - 2 - HD3 ARG 66 - HG2 ARG 84 lone 1 59 - 2 - Peak 2881 from cnoeabs.peaks (4.00, 3.21, 43.49 ppm; 4.62 A): 8 out of 30 assignments used, quality = 1.00: * HA ARG 70 + HD2 ARG 70 OK 90 100 - 90 - 5.3=66, 2865/3.0=22...(23) HA ARG 70 + HD3 ARG 70 OK 90 100 - 90 - 5.3=66, 2865/3.0=22...(23) HA ARG 70 + HD2 ARG 66 OK 65 89 - 73 - 2844/3.0=9, 2846=7...(45) HA ARG 70 + HD3 ARG 66 OK 62 85 - 73 - 2844/3.0=9, 2847=7...(45) HA ARG 66 + HD2 ARG 66 OK 53 57 - 94 - 5.2=71, ~5039=18...(29) HA ARG 66 + HD2 ARG 70 OK 52 71 - 74 - 2865/3.0=10, 2677/3.5=5...(45) HA ARG 66 + HD3 ARG 70 OK 52 71 - 74 - 2865/3.0=10, 2677/3.5=5...(44) HA ARG 66 + HD3 ARG 66 OK 50 53 - 94 - 5.2=71, ~5039=18...(29) HA LYS 32 - HD2 ARG 70 OK 16 71 - 22 - 2865/3.0=3, ~2864=2...(8) HA LYS 32 - HD3 ARG 70 OK 16 71 - 22 - 2865/3.0=3, ~2864=2...(8) HA ARG 70 - HD3 ARG 71 OK 15 58 - 26 - 3.6/5833=5, 4.7/2903=3...(9) HA LYS 32 - HD2 ARG 66 OK 11 57 - 19 - ~5802=3, ~91=2, ~3927=2...(6) HA LYS 32 - HD3 ARG 66 OK 10 53 - 19 - ~5802=3, ~91=2, ~3927=2...(6) HA ARG 66 - HD3 ARG 71 poor 8 34 - 22 - 304/5.8=4, 2676/3.5=2...(8) HA PHE 48 - HD2 ARG 66 poor 6 52 - 11 - 5.6/5971=5, ~4471=2...(4) HB2 SER 22 - HD3 ARG 70 lone 6 98 - 6 - HB2 SER 22 - HD2 ARG 70 lone 6 98 - 6 - HA PHE 48 - HD3 ARG 66 poor 5 49 - 11 - 5.6/5971=5, ~4471=2...(4) HA ARG 54 - HD2 ARG 70 lone 5 99 - 5 - 2865/3.0=1 HA ARG 54 - HD3 ARG 70 lone 5 99 - 5 - 2865/3.0=1 HA LYS 32 - HD3 ARG 71 poor 5 34 - 13 - 304/5.8=2 HA PHE 48 - HD3 ARG 70 lone 4 65 - 6 - HA PHE 48 - HD2 ARG 70 lone 4 65 - 6 - HB2 SER 22 - HD3 ARG 71 lone 3 55 - 5 - 5499/3.5=1, 5499/3.5=1 HB2 SER 22 - HD2 ARG 66 lone 3 84 - 3 - HB2 SER 22 - HD3 ARG 66 lone 2 81 - 3 - HA PHE 48 - HD3 ARG 71 lone 2 31 - 7 - 2139/1.8=2, ~641=1 HA ARG 54 - HD2 ARG 66 lone 2 87 - 2 - HA ARG 54 - HD3 ARG 66 lone 2 83 - 2 - HA ARG 54 - HD3 ARG 71 lone 2 57 - 3 - Peak 2882 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.51 A): 12 out of 40 assignments used, quality = 1.00: * HB2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 - 100 - 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 - 100 - 3.4=100 HB2 ARG 70 + HD2 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD2 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB2 ARG 70 + HD3 ARG 66 OK 59 85 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD3 ARG 66 OK 59 85 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 66 + HD2 ARG 70 OK 58 95 - 61 - 2867/3.0=6, 2875/3.0=3...(35) HB3 ARG 66 + HD3 ARG 70 OK 57 94 - 61 - 2867/3.0=6, 2874/3.0=3...(35) HB2 LEU 64 - HD2 ARG 66 OK 18 73 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 66 OK 17 69 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD2 ARG 70 OK 15 89 - 16 - 2867/3.0=2, ~2628=1 HB2 LEU 64 - HD3 ARG 70 OK 15 88 - 16 - 2867/3.0=2, ~2628=1 HB2 ARG 70 - HD3 ARG 71 OK 14 58 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 70 - HD3 ARG 71 OK 14 58 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 66 - HD3 ARG 71 OK 10 51 - 20 - 306/5.8=2, 5372/4.7=2...(5) HB2 GLN 79 - HD2 ARG 66 poor 10 81 - 12 - 6011/5.2=1, ~2710=1 HB2 GLN 79 - HD3 ARG 66 poor 9 77 - 12 - 6011/5.2=1, ~2710=1 HB2 MET 31 - HD2 ARG 66 poor 8 69 - 11 - 2709/3.0=1, 2701/3.0=1 HB2 MET 31 - HD3 ARG 66 poor 7 66 - 11 - 2709/3.0=1, 2701/3.0=1 HG LEU 57 - HD2 ARG 70 lone 4 100 - 4 - HG LEU 57 - HD3 ARG 70 lone 4 100 - 4 - HB2 MET 31 - HD3 ARG 70 lone 4 85 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 85 - 4 - HG LEU 57 - HD2 ARG 66 lone 3 89 - 4 - HG LEU 57 - HD3 ARG 66 lone 3 85 - 4 - HB VAL 41 - HD2 ARG 66 lone 3 57 - 5 - HB2 GLN 79 - HD2 ARG 70 lone 3 96 - 3 - HB2 GLN 79 - HD3 ARG 70 lone 3 95 - 3 - HB VAL 41 - HD3 ARG 66 lone 3 53 - 5 - HB VAL 41 - HD2 ARG 70 lone 3 71 - 4 - HB VAL 41 - HD3 ARG 70 lone 3 71 - 4 - HB2 LEU 64 - HD3 ARG 71 lone 1 46 - 3 - HG LEU 57 - HD3 ARG 71 lone 1 58 - 2 - HB VAL 41 - HD3 ARG 71 lone 1 34 - 3 - ~4345=1 HB2 MET 31 - HD3 ARG 71 lone 1 43 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 0 52 - 1 - Peak 2883 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.51 A): 12 out of 40 assignments used, quality = 1.00: HB2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 * HB3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 - 100 - 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 76 76 - 100 - 3.4=100 HB2 ARG 70 + HD2 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD2 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB2 ARG 70 + HD3 ARG 66 OK 59 85 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD3 ARG 66 OK 59 85 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 66 + HD2 ARG 70 OK 58 95 - 61 - 2867/3.0=6, 2875/3.0=3...(35) HB3 ARG 66 + HD3 ARG 70 OK 57 94 - 61 - 2867/3.0=6, 2874/3.0=3...(35) HB2 LEU 64 - HD2 ARG 66 OK 18 73 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 66 OK 17 69 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD2 ARG 70 OK 15 89 - 16 - 2867/3.0=2, ~2628=1 HB2 LEU 64 - HD3 ARG 70 OK 15 88 - 16 - 2867/3.0=2, ~2628=1 HB2 ARG 70 - HD3 ARG 71 OK 14 58 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 70 - HD3 ARG 71 OK 14 58 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 66 - HD3 ARG 71 OK 10 51 - 20 - 306/5.8=2, 5372/4.7=2...(5) HB2 GLN 79 - HD2 ARG 66 poor 10 81 - 12 - 6011/5.2=1, ~2710=1 HB2 GLN 79 - HD3 ARG 66 poor 9 77 - 12 - 6011/5.2=1, ~2710=1 HB2 MET 31 - HD2 ARG 66 poor 8 69 - 11 - 2709/3.0=1, 2701/3.0=1 HB2 MET 31 - HD3 ARG 66 poor 7 66 - 11 - 2709/3.0=1, 2701/3.0=1 HG LEU 57 - HD2 ARG 70 lone 4 100 - 4 - HG LEU 57 - HD3 ARG 70 lone 4 100 - 4 - HB2 MET 31 - HD3 ARG 70 lone 4 85 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 85 - 4 - HG LEU 57 - HD2 ARG 66 lone 3 89 - 4 - HG LEU 57 - HD3 ARG 66 lone 3 85 - 4 - HB VAL 41 - HD2 ARG 66 lone 3 57 - 5 - HB2 GLN 79 - HD2 ARG 70 lone 3 96 - 3 - HB2 GLN 79 - HD3 ARG 70 lone 3 95 - 3 - HB VAL 41 - HD3 ARG 66 lone 3 53 - 5 - HB VAL 41 - HD2 ARG 70 lone 3 71 - 4 - HB VAL 41 - HD3 ARG 70 lone 3 71 - 4 - HB2 LEU 64 - HD3 ARG 71 lone 1 46 - 3 - HG LEU 57 - HD3 ARG 71 lone 1 58 - 2 - HB VAL 41 - HD3 ARG 71 lone 1 34 - 3 - ~4345=1 HB2 MET 31 - HD3 ARG 71 lone 1 43 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 0 52 - 1 - Peak 2884 from cnoeabs.peaks (1.71, 3.21, 43.49 ppm; 3.35 A): 8 out of 50 assignments used, quality = 1.00: * HG2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 80 80 - 100 - 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 76 76 - 100 - 3.0=100 HG3 ARG 66 + HD2 ARG 70 OK 51 95 - 55 - 2709/3.5=4, 2709/3.5=4...(22) HG3 ARG 66 + HD3 ARG 70 OK 51 94 - 54 - 2709/3.5=4, 2709/3.5=4...(22) HG2 ARG 70 + HD2 ARG 66 OK 49 89 - 56 - 2871=7, 2871/1.8=5...(24) HG2 ARG 70 + HD3 ARG 66 OK 47 85 - 56 - 2871=7, 2871/1.8=5...(24) HB3 LEU 64 - HD2 ARG 66 OK 19 82 - 23 - 2703/3.0=2, 2679/5.2=2...(9) HB3 LEU 64 - HD3 ARG 66 OK 18 78 - 23 - 2703/3.0=2, 2679/5.2=2...(9) HB3 LEU 64 - HD2 ARG 70 OK 17 97 - 17 - 2628/3.5=2, 2628/3.5=2...(6) HB3 LEU 64 - HD3 ARG 70 OK 17 96 - 17 - 2628/3.5=2, 2628/3.5=2...(6) HG2 ARG 70 - HD3 ARG 71 OK 13 58 - 22 - 307/5.8=3, 2870=3...(4) HB2 LEU 29 - HD2 ARG 70 OK 10 99 - 10 - 3.1/5832=1 HB2 LEU 29 - HD3 ARG 70 OK 10 99 - 10 - 3.1/5832=1 HB2 LEU 29 - HD2 ARG 66 poor 9 85 - 10 - 1487/3.0=1 HB2 LEU 29 - HD3 ARG 66 poor 8 81 - 10 - 1487/3.0=1 HG3 ARG 66 - HD3 ARG 71 poor 8 51 - 16 - 307/5.8=2, 5395/4.7=2...(5) HB2 ARG 84 - HD2 ARG 70 lone 6 87 - 6 - HB2 ARG 84 - HD3 ARG 70 lone 6 87 - 6 - HB2 LEU 43 - HD2 ARG 66 lone 4 75 - 6 - HB2 ARG 84 - HD3 ARG 71 lone 4 44 - 10 - HB2 LEU 43 - HD3 ARG 66 lone 4 71 - 6 - HB3 LYS 85 - HD2 ARG 70 lone 4 93 - 4 - HB3 LYS 85 - HD3 ARG 70 lone 4 93 - 4 - HB2 LEU 43 - HD2 ARG 70 lone 4 90 - 4 - HB2 LEU 43 - HD3 ARG 70 lone 4 90 - 4 - HB2 LEU 29 - HD3 ARG 71 lone 4 55 - 7 - 5348/4.7=3, 307/5.8=1 HB2 ARG 82 - HD3 ARG 71 lone 2 50 - 4 - HB3 LEU 64 - HD3 ARG 71 lone 2 53 - 4 - HB3 LYS 83 - HD2 ARG 70 lone 2 98 - 2 - HB3 LYS 83 - HD3 ARG 70 lone 2 98 - 2 - HB2 ARG 82 - HD2 ARG 70 lone 2 93 - 2 - HB2 ARG 82 - HD3 ARG 70 lone 2 93 - 2 - HB2 ARG 82 - HD2 ARG 66 lone 2 78 - 2 - HB2 ARG 82 - HD3 ARG 66 lone 2 74 - 2 - HB3 LYS 85 - HD3 ARG 71 lone 1 50 - 2 - HB3 LYS 83 - HD2 ARG 66 lone 1 84 - 1 - HB3 LYS 13 - HD2 ARG 66 lone 1 52 - 2 - HB3 LYS 85 - HD2 ARG 66 lone 1 78 - 1 - HB2 LEU 43 - HD3 ARG 71 lone 1 47 - 2 - HB3 LYS 13 - HD2 ARG 70 lone 1 65 - 1 - HB3 LYS 13 - HD3 ARG 70 lone 1 65 - 1 - HB3 LYS 83 - HD3 ARG 66 lone 1 81 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 1 71 - 1 - HB3 LYS 13 - HD3 ARG 66 lone 1 49 - 2 - HB3 LYS 85 - HD3 ARG 66 lone 1 74 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 1 68 - 1 - HB3 LYS 83 - HD3 ARG 71 lone 1 55 - 1 - HB3 LYS 13 - HD3 ARG 71 lone 0 31 - 1 - Peak 2885 from cnoeabs.peaks (1.61, 3.21, 43.49 ppm; 3.16 A): 3 out of 90 assignments used, quality = 1.00: * HG3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.0=100 HG3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 56 56 - 100 - 3.0=100 HG3 ARG 70 - HD2 ARG 66 OK 40 89 - 46 - 1.8/2871=5, 2878=3...(19) HG3 ARG 70 - HD3 ARG 66 OK 38 85 - 46 - 1.8/2871=4, 2878=3...(19) HG2 ARG 71 - HD2 ARG 70 OK 23 99 - 24 - 2869/3.0=3, 1.8/2935=2...(8) HG2 ARG 71 - HD3 ARG 70 OK 23 99 - 24 - 2869/3.0=3, 1.8/2935=2...(8) HG2 ARG 71 - HD2 ARG 66 OK 19 86 - 23 - 1.8/2935=2, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 66 OK 18 82 - 22 - 1.8/2935=2, ~2935=2...(6) HG2 ARG 26 - HD2 ARG 66 OK 17 84 - 21 - ~1396=1, ~1397=1, 1.8/1397=1 HG2 ARG 26 - HD3 ARG 66 OK 16 81 - 20 - ~1397=1, ~1396=1, 1.8/1397=1 HG2 ARG 17 - HD3 ARG 71 OK 12 57 - 22 - 2932/3.0=2, 2878=2...(4) HG3 ARG 17 - HD3 ARG 71 OK 12 56 - 22 - 2932/3.0=2, 2878=2...(4) HG2 ARG 26 - HD3 ARG 71 OK 11 55 - 20 - 2932/3.0=3, ~1394=2...(4) HB2 LEU 86 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HB2 LEU 86 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HG3 ARG 70 - HD3 ARG 71 poor 8 58 - 14 - 1.8/2870=2, 2932/3.0=2...(5) HG LEU 86 - HD2 ARG 70 lone 8 93 - 9 - 2.1/5832=1 HG LEU 86 - HD3 ARG 70 lone 8 93 - 9 - 2.1/5832=1 HD3 LYS 32 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD3 LYS 32 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD2 LYS 32 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD2 LYS 32 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HG2 ARG 17 - HD2 ARG 70 lone 7 99 - 7 - HG2 ARG 17 - HD3 ARG 70 lone 7 99 - 7 - HG3 ARG 17 - HD2 ARG 70 lone 7 99 - 7 - HG3 ARG 17 - HD3 ARG 70 lone 7 99 - 7 - HD3 LYS 32 - HD3 ARG 71 poor 7 58 - 12 - 2932/3.0=1 HD2 LYS 32 - HD3 ARG 71 poor 7 58 - 12 - 2932/3.0=1 HG2 ARG 26 - HD2 ARG 70 lone 7 98 - 7 - HG2 ARG 26 - HD3 ARG 70 lone 7 98 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 6 69 - 9 - HG3 ARG 27 - HD2 ARG 66 lone 6 67 - 9 - HG3 ARG 84 - HD2 ARG 70 lone 6 85 - 7 - HG2 ARG 84 - HD2 ARG 70 lone 6 85 - 7 - HG2 ARG 84 - HD3 ARG 70 lone 6 85 - 7 - HG3 ARG 84 - HD3 ARG 70 lone 6 85 - 7 - HG2 ARG 27 - HD3 ARG 66 lone 6 66 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 6 64 - 9 - HG2 ARG 27 - HD3 ARG 71 poor 5 43 - 12 - 2932/3.0=1 HG3 ARG 27 - HD3 ARG 71 poor 5 42 - 12 - 2932/3.0=1 HD3 LYS 73 - HD3 ARG 70 lone 5 100 - 5 - HD2 LYS 73 - HD3 ARG 70 lone 5 100 - 5 - HD2 LYS 73 - HD2 ARG 70 lone 5 100 - 5 - HD3 LYS 73 - HD2 ARG 70 lone 5 100 - 5 - HB3 LEU 62 - HD2 ARG 70 lone 5 73 - 6 - HB3 LEU 62 - HD3 ARG 70 lone 5 73 - 6 - HG2 ARG 17 - HD2 ARG 66 lone 4 87 - 5 - HG3 ARG 17 - HD2 ARG 66 lone 4 86 - 5 - HG2 ARG 17 - HD3 ARG 66 lone 4 83 - 5 - HG3 ARG 17 - HD3 ARG 66 lone 4 82 - 5 - HD3 LYS 73 - HD3 ARG 71 lone 4 58 - 7 - HD2 LYS 73 - HD3 ARG 71 lone 4 58 - 7 - HG3 ARG 84 - HD3 ARG 71 lone 4 43 - 9 - HG2 ARG 84 - HD3 ARG 71 lone 4 43 - 9 - HG2 ARG 27 - HD2 ARG 70 lone 4 85 - 4 - HG2 ARG 27 - HD3 ARG 70 lone 3 85 - 4 - HG3 ARG 27 - HD2 ARG 70 lone 3 83 - 4 - HG3 ARG 27 - HD3 ARG 70 lone 3 83 - 4 - HB3 LEU 62 - HD2 ARG 66 lone 3 59 - 5 - HD3 LYS 32 - HD2 ARG 66 lone 3 89 - 3 - HB3 LEU 62 - HD3 ARG 66 lone 3 56 - 5 - HD2 LYS 32 - HD2 ARG 66 lone 3 88 - 3 - HD3 LYS 32 - HD3 ARG 66 lone 3 85 - 3 - HD2 LYS 32 - HD3 ARG 66 lone 3 85 - 3 - HG LEU 86 - HD2 ARG 66 lone 3 78 - 3 - HB2 LEU 86 - HD2 ARG 66 lone 2 88 - 3 - HG LEU 86 - HD3 ARG 66 lone 2 74 - 3 - HB2 LEU 86 - HD3 ARG 66 lone 2 85 - 3 - HB3 LEU 51 - HD3 ARG 70 lone 2 94 - 2 - HB3 LEU 51 - HD2 ARG 70 lone 2 95 - 2 - HB2 LEU 86 - HD3 ARG 71 lone 2 58 - 3 - HB3 LEU 62 - HD3 ARG 71 lone 2 36 - 4 - HD3 LYS 73 - HD2 ARG 66 lone 1 88 - 2 - HD2 LYS 73 - HD2 ARG 66 lone 1 88 - 2 - HD3 LYS 73 - HD3 ARG 66 lone 1 85 - 2 - HD2 LYS 73 - HD3 ARG 66 lone 1 85 - 2 - HG LEU 86 - HD3 ARG 71 lone 1 50 - 3 - HB3 LEU 51 - HD2 ARG 66 lone 1 80 - 2 - HB3 LEU 51 - HD3 ARG 66 lone 1 76 - 2 - HG2 ARG 84 - HD2 ARG 66 lone 1 69 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 1 69 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 1 66 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 1 66 - 1 - HB3 LEU 51 - HD3 ARG 71 lone 1 51 - 1 - HD2 LYS 39 - HD2 ARG 66 lone 1 47 - 1 - HD2 LYS 39 - HD3 ARG 66 lone 0 44 - 1 - HD2 LYS 39 - HD2 ARG 70 lone 0 60 - 1 - HD2 LYS 39 - HD3 ARG 70 lone 0 60 - 1 - HD2 LYS 39 - HD3 ARG 71 lone 0 28 - 1 - Peak 2886 from cnoeabs.peaks (3.21, 3.21, 43.49 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 73 73 - 100 HD3 ARG 66 + HD3 ARG 66 OK 66 66 - 100 HD3 ARG 71 + HD3 ARG 71 OK 57 57 - 100 Peak 2887 from cnoeabs.peaks (3.20, 3.21, 43.49 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 77 77 - 100 HD3 ARG 66 + HD3 ARG 66 OK 69 69 - 100 HD3 ARG 71 + HD3 ARG 71 OK 57 57 - 100 Reference assignment not found: HD3 ARG 70 - HD2 ARG 70 Peak 2889 from cnoeabs.peaks (4.00, 3.20, 43.49 ppm; 4.62 A): 8 out of 36 assignments used, quality = 1.00: * HA ARG 70 + HD3 ARG 70 OK 90 100 - 90 - 5.3=66, 2865/3.0=22...(23) HA ARG 70 + HD2 ARG 70 OK 90 100 - 90 - 5.3=66, 2865/3.0=22...(23) HA ARG 70 + HD2 ARG 66 OK 67 92 - 73 - 2844/3.0=9, 2846=7...(45) HA ARG 70 + HD3 ARG 66 OK 65 89 - 73 - 2844/3.0=9, 2847=7...(45) HA ARG 66 + HD2 ARG 66 OK 56 60 - 94 - 5.2=71, ~5039=18...(29) HA ARG 66 + HD3 ARG 66 OK 53 57 - 94 - 5.2=71, ~5039=18...(29) HA ARG 66 + HD2 ARG 70 OK 52 71 - 75 - 2865/3.0=10, 2677/3.5=5...(45) HA ARG 66 + HD3 ARG 70 OK 52 71 - 74 - 2865/3.0=10, 2677/3.5=5...(44) HA LYS 32 - HD3 ARG 70 OK 16 71 - 22 - 2865/3.0=3, ~2864=2...(8) HA LYS 32 - HD2 ARG 70 OK 16 71 - 22 - 2865/3.0=3, ~2864=2...(8) HA ARG 70 - HD3 ARG 71 OK 15 59 - 26 - 3.6/5833=5, 4.7/2903=3...(9) HA LYS 32 - HD2 ARG 66 OK 11 60 - 19 - ~5802=3, ~91=2, ~3927=2...(6) HA LYS 32 - HD3 ARG 66 OK 11 57 - 19 - ~5802=3, ~91=2, ~3927=2...(6) HA ARG 66 - HD3 ARG 71 poor 8 35 - 23 - 304/5.8=4, 2676/3.5=2...(8) HA ARG 66 - HD3 ARG 26 poor 7 16 - 43 - 2676/3.5=3, 2676/3.5=3...(17) HA PHE 48 - HD2 ARG 66 poor 6 55 - 11 - 5.6/5971=6, ~4471=2...(4) HA PHE 48 - HD3 ARG 66 poor 6 52 - 11 - 5.6/5971=6, ~4471=2...(4) HB2 SER 22 - HD3 ARG 70 lone 6 98 - 6 - HB2 SER 22 - HD2 ARG 70 lone 6 98 - 6 - HA ARG 54 - HD3 ARG 70 lone 5 99 - 5 - 2865/3.0=1 HA ARG 54 - HD2 ARG 70 lone 5 99 - 5 - 2865/3.0=1 HA LYS 32 - HD3 ARG 71 poor 5 35 - 13 - 304/5.8=2 HA ARG 70 - HD3 ARG 26 poor 4 29 - 15 - 3.6/5833=3, 4.7/2903=1...(5) HA PHE 48 - HD3 ARG 70 lone 4 65 - 6 - HA PHE 48 - HD2 ARG 70 lone 4 65 - 6 - HB2 SER 22 - HD2 ARG 66 lone 3 88 - 3 - HB2 SER 22 - HD3 ARG 71 lone 3 55 - 5 - 5499/3.5=1, 5499/3.5=1 HB2 SER 22 - HD3 ARG 66 lone 3 84 - 3 - HA ARG 54 - HD2 ARG 66 lone 2 90 - 2 - HA PHE 48 - HD3 ARG 71 lone 2 32 - 7 - 2139/1.8=2, ~641=1 HA ARG 54 - HD3 ARG 66 lone 2 87 - 2 - HA ARG 54 - HD3 ARG 71 lone 2 57 - 3 - HA LYS 32 - HD3 ARG 26 lone 1 16 - 6 - HB2 SER 22 - HD3 ARG 26 lone 1 27 - 2 - HA ARG 54 - HD3 ARG 26 lone 1 28 - 2 - HA PHE 48 - HD3 ARG 26 lone 0 15 - 2 - Peak 2890 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.51 A): 12 out of 48 assignments used, quality = 1.00: HB3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 * HB2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 - 100 - 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 - 100 - 3.4=100 HB2 ARG 70 + HD2 ARG 66 OK 64 92 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD2 ARG 66 OK 64 92 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB2 ARG 70 + HD3 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD3 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 66 + HD2 ARG 70 OK 58 94 - 62 - 2866/3.0=6, 2875/3.0=3...(35) HB3 ARG 66 + HD3 ARG 70 OK 57 95 - 61 - 2866/3.0=6, 2.8/2712=3...(35) HB2 LEU 64 - HD2 ARG 66 OK 19 77 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 66 OK 18 73 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 70 OK 15 89 - 16 - 2866/3.0=2, ~2628=1 HB2 LEU 64 - HD2 ARG 70 OK 15 88 - 16 - 2866/3.0=2, ~2628=1 HB2 ARG 70 - HD3 ARG 71 OK 14 59 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 70 - HD3 ARG 71 OK 14 59 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB2 GLN 79 - HD2 ARG 66 OK 10 84 - 12 - 6011/5.2=1, ~2710=1 HB3 ARG 66 - HD3 ARG 71 OK 10 52 - 20 - 306/5.8=2, 5372/4.7=2...(5) HB2 GLN 79 - HD3 ARG 66 poor 10 81 - 12 - 6011/5.2=1, ~2710=1 HB3 ARG 66 - HD3 ARG 26 poor 9 25 - 38 - 2.8/2712=2, 2692/3.5=2...(18) HB2 MET 31 - HD2 ARG 66 poor 8 73 - 11 - 2709/3.0=1, 2701/3.0=1 HB2 MET 31 - HD3 ARG 66 poor 8 69 - 11 - 2709/3.0=1, 2701/3.0=1 HG LEU 57 - HD2 ARG 70 lone 4 100 - 4 - HG LEU 57 - HD3 ARG 70 lone 4 100 - 4 - HB2 MET 31 - HD3 ARG 70 lone 4 85 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 85 - 4 - HG LEU 57 - HD2 ARG 66 lone 4 92 - 4 - HB2 ARG 70 - HD3 ARG 26 poor 4 29 - 12 - 4.4/5833=1 HB3 ARG 70 - HD3 ARG 26 poor 4 29 - 12 - 4.4/5833=1 HG LEU 57 - HD3 ARG 66 lone 3 89 - 4 - HB VAL 41 - HD2 ARG 66 lone 3 60 - 5 - HB VAL 41 - HD3 ARG 66 lone 3 57 - 5 - HB2 GLN 79 - HD2 ARG 70 lone 3 95 - 3 - HB2 GLN 79 - HD3 ARG 70 lone 3 96 - 3 - HB VAL 41 - HD3 ARG 70 lone 3 71 - 4 - HB VAL 41 - HD2 ARG 70 lone 3 71 - 4 - HB2 LEU 64 - HD3 ARG 71 lone 1 47 - 3 - HB2 LEU 64 - HD3 ARG 26 lone 1 22 - 5 - HG LEU 57 - HD3 ARG 71 lone 1 59 - 2 - HB VAL 41 - HD3 ARG 71 lone 1 35 - 3 - ~4345=1 HG LEU 57 - HD3 ARG 26 lone 1 29 - 2 - HB2 MET 31 - HD3 ARG 71 lone 1 44 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 1 53 - 1 - HB2 GLN 79 - HD3 ARG 26 lone 0 25 - 1 - HB2 MET 31 - HD3 ARG 26 lone 0 21 - 1 - HB VAL 41 - HD3 ARG 26 lone 0 16 - 1 - Peak 2891 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.51 A): 12 out of 48 assignments used, quality = 1.00: * HB3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 - 100 - 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 80 80 - 100 - 3.4=100 HB2 ARG 70 + HD2 ARG 66 OK 64 92 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD2 ARG 66 OK 64 92 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB2 ARG 70 + HD3 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 70 + HD3 ARG 66 OK 61 89 - 69 - 2709/3.0=5, 2701/3.0=5...(47) HB3 ARG 66 + HD2 ARG 70 OK 58 94 - 62 - 2866/3.0=6, 2875/3.0=3...(35) HB3 ARG 66 + HD3 ARG 70 OK 57 95 - 61 - 2866/3.0=6, 2.8/2712=3...(35) HB2 LEU 64 - HD2 ARG 66 OK 19 77 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 66 OK 18 73 - 25 - 2622/3.0=2, ~5019=2...(7) HB2 LEU 64 - HD3 ARG 70 OK 15 89 - 16 - 2866/3.0=2, ~2628=1 HB2 LEU 64 - HD2 ARG 70 OK 15 88 - 16 - 2866/3.0=2, ~2628=1 HB2 ARG 70 - HD3 ARG 71 OK 14 59 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB3 ARG 70 - HD3 ARG 71 OK 14 59 - 23 - 306/5.8=3, 2.9/2870=2...(7) HB2 GLN 79 - HD2 ARG 66 OK 10 84 - 12 - 6011/5.2=1, ~2710=1 HB3 ARG 66 - HD3 ARG 71 OK 10 52 - 20 - 306/5.8=2, 5372/4.7=2...(5) HB2 GLN 79 - HD3 ARG 66 poor 10 81 - 12 - 6011/5.2=1, ~2710=1 HB3 ARG 66 - HD3 ARG 26 poor 9 25 - 38 - 2.8/2712=2, 2692/3.5=2...(18) HB2 MET 31 - HD2 ARG 66 poor 8 73 - 11 - 2709/3.0=1, 2701/3.0=1 HB2 MET 31 - HD3 ARG 66 poor 8 69 - 11 - 2709/3.0=1, 2701/3.0=1 HG LEU 57 - HD2 ARG 70 lone 4 100 - 4 - HG LEU 57 - HD3 ARG 70 lone 4 100 - 4 - HB2 MET 31 - HD3 ARG 70 lone 4 85 - 4 - HB2 MET 31 - HD2 ARG 70 lone 4 85 - 4 - HG LEU 57 - HD2 ARG 66 lone 4 92 - 4 - HB2 ARG 70 - HD3 ARG 26 poor 4 29 - 12 - 4.4/5833=1 HB3 ARG 70 - HD3 ARG 26 poor 4 29 - 12 - 4.4/5833=1 HG LEU 57 - HD3 ARG 66 lone 3 89 - 4 - HB VAL 41 - HD2 ARG 66 lone 3 60 - 5 - HB VAL 41 - HD3 ARG 66 lone 3 57 - 5 - HB2 GLN 79 - HD2 ARG 70 lone 3 95 - 3 - HB2 GLN 79 - HD3 ARG 70 lone 3 96 - 3 - HB VAL 41 - HD3 ARG 70 lone 3 71 - 4 - HB VAL 41 - HD2 ARG 70 lone 3 71 - 4 - HB2 LEU 64 - HD3 ARG 71 lone 1 47 - 3 - HB2 LEU 64 - HD3 ARG 26 lone 1 22 - 5 - HG LEU 57 - HD3 ARG 71 lone 1 59 - 2 - HB VAL 41 - HD3 ARG 71 lone 1 35 - 3 - ~4345=1 HG LEU 57 - HD3 ARG 26 lone 1 29 - 2 - HB2 MET 31 - HD3 ARG 71 lone 1 44 - 1 - HB2 GLN 79 - HD3 ARG 71 lone 1 53 - 1 - HB2 GLN 79 - HD3 ARG 26 lone 0 25 - 1 - HB2 MET 31 - HD3 ARG 26 lone 0 21 - 1 - HB VAL 41 - HD3 ARG 26 lone 0 16 - 1 - Peak 2892 from cnoeabs.peaks (1.71, 3.20, 43.49 ppm; 3.35 A): 8 out of 60 assignments used, quality = 1.00: * HG2 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 83 83 - 100 - 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 80 80 - 100 - 3.0=100 HG3 ARG 66 + HD2 ARG 70 OK 51 94 - 55 - 2709/3.5=4, 2709/3.5=4...(22) HG2 ARG 70 + HD2 ARG 66 OK 51 92 - 56 - 2871=7, 2871/1.8=5...(24) HG3 ARG 66 + HD3 ARG 70 OK 51 95 - 54 - 2709/3.5=4, 2709/3.5=4...(22) HG2 ARG 70 + HD3 ARG 66 OK 49 89 - 56 - 2871=7, 2871/1.8=5...(24) HB3 LEU 64 - HD2 ARG 66 OK 20 86 - 24 - 2703/3.0=2, 2679/5.2=2...(9) HB3 LEU 64 - HD3 ARG 66 OK 19 82 - 23 - 2703/3.0=2, 2679/5.2=2...(9) HB3 LEU 64 - HD3 ARG 70 OK 17 97 - 17 - 2628/3.5=2, 2628/3.5=2...(6) HB3 LEU 64 - HD2 ARG 70 OK 17 96 - 17 - 2628/3.5=2, 2628/3.5=2...(6) HG2 ARG 70 - HD3 ARG 71 OK 13 59 - 22 - 307/5.8=3, 2870=3...(4) HB2 LEU 29 - HD3 ARG 70 OK 10 99 - 10 - 3.1/5832=1 HB2 LEU 29 - HD2 ARG 70 OK 10 99 - 10 - 3.1/5832=1 HB2 LEU 29 - HD2 ARG 66 poor 9 89 - 10 - 1487/3.0=1 HB2 LEU 29 - HD3 ARG 66 poor 9 85 - 10 - 1487/3.0=1 HG3 ARG 66 - HD3 ARG 71 poor 8 52 - 16 - 307/5.8=2, 5395/4.7=2...(5) HG3 ARG 66 - HD3 ARG 26 poor 8 25 - 31 - 2708/3.5=2, 2708/3.5=2...(11) HB2 ARG 84 - HD2 ARG 70 lone 6 87 - 6 - HB2 ARG 84 - HD3 ARG 70 lone 6 87 - 6 - HB2 LEU 43 - HD2 ARG 66 lone 5 78 - 6 - HB2 LEU 43 - HD3 ARG 66 lone 4 75 - 6 - HB2 ARG 84 - HD3 ARG 71 lone 4 45 - 10 - HB3 LYS 85 - HD3 ARG 70 lone 4 93 - 4 - HB3 LYS 85 - HD2 ARG 70 lone 4 93 - 4 - HB2 LEU 43 - HD3 ARG 70 lone 4 90 - 4 - HB2 LEU 43 - HD2 ARG 70 lone 4 90 - 4 - HB2 LEU 29 - HD3 ARG 71 lone 4 56 - 7 - 5348/4.7=3, 307/5.8=1 HG2 ARG 70 - HD3 ARG 26 poor 3 29 - 10 - 2869/3.0=1 HB2 ARG 82 - HD3 ARG 71 lone 2 50 - 4 - HB3 LEU 64 - HD3 ARG 71 lone 2 54 - 4 - HB3 LYS 83 - HD3 ARG 70 lone 2 98 - 2 - HB3 LYS 83 - HD2 ARG 70 lone 2 98 - 2 - HB2 LEU 29 - HD3 ARG 26 lone 2 27 - 7 - 5348/4.8=2 HB2 ARG 82 - HD2 ARG 66 lone 2 82 - 2 - HB2 ARG 82 - HD3 ARG 70 lone 2 93 - 2 - HB2 ARG 82 - HD2 ARG 70 lone 2 93 - 2 - HB2 ARG 82 - HD3 ARG 66 lone 2 78 - 2 - HB3 LEU 64 - HD3 ARG 26 lone 1 26 - 5 - HB3 LYS 85 - HD3 ARG 71 lone 1 50 - 2 - HB3 LYS 83 - HD2 ARG 66 lone 1 88 - 1 - HB2 ARG 84 - HD3 ARG 26 lone 1 22 - 5 - HB3 LYS 13 - HD2 ARG 66 lone 1 55 - 2 - HB3 LYS 85 - HD2 ARG 66 lone 1 82 - 1 - HB3 LYS 83 - HD3 ARG 66 lone 1 84 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 1 75 - 1 - HB2 LEU 43 - HD3 ARG 71 lone 1 48 - 2 - HB3 LYS 13 - HD3 ARG 66 lone 1 52 - 2 - HB3 LYS 13 - HD3 ARG 70 lone 1 65 - 1 - HB3 LYS 13 - HD2 ARG 70 lone 1 65 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 1 78 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 1 71 - 1 - HB3 LYS 83 - HD3 ARG 71 lone 1 55 - 1 - HB2 LEU 43 - HD3 ARG 26 lone 1 23 - 2 - HB2 ARG 82 - HD3 ARG 26 lone 0 24 - 2 - HB3 LYS 13 - HD3 ARG 71 lone 0 32 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 0 24 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 27 - 1 - HB3 LYS 13 - HD3 ARG 26 lone 0 15 - 1 - Peak 2893 from cnoeabs.peaks (1.61, 3.20, 43.49 ppm; 3.16 A): 3 out of 108 assignments used, quality = 1.00: * HG3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 - 3.0=100 HG3 ARG 70 + HD2 ARG 70 OK 100 100 - 100 - 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 57 57 - 100 - 3.0=100 HG3 ARG 70 - HD2 ARG 66 OK 42 92 - 46 - 1.8/2871=5, 2878=3...(19) HG3 ARG 70 - HD3 ARG 66 OK 40 89 - 46 - 1.8/2871=4, 2878=3...(19) HG2 ARG 26 - HD3 ARG 26 OK 27 27 - 100 - 3.0=100 HG2 ARG 71 - HD2 ARG 70 OK 23 99 - 24 - 2869/3.0=3, 1.8/2935=2...(8) HG2 ARG 71 - HD3 ARG 70 OK 23 99 - 24 - 2869/3.0=3, 1.8/2935=2...(8) HG2 ARG 71 - HD2 ARG 66 OK 20 89 - 23 - 1.8/2935=2, ~2935=2...(6) HG2 ARG 71 - HD3 ARG 66 OK 19 86 - 22 - 1.8/2935=2, ~2935=2...(6) HG2 ARG 26 - HD2 ARG 66 OK 18 88 - 21 - ~1396=1, ~1397=1, 1.8/1397=1 HG2 ARG 26 - HD3 ARG 66 OK 17 84 - 21 - ~1397=1, ~1396=1, 1.8/1397=1 HG2 ARG 17 - HD3 ARG 71 OK 13 57 - 22 - 2932/3.0=2, 2878=2...(4) HG3 ARG 17 - HD3 ARG 71 OK 13 57 - 23 - 2932/3.0=2, 2878=2...(4) HG2 ARG 26 - HD3 ARG 71 OK 11 55 - 20 - 2932/3.0=3, ~1394=2...(5) HG2 ARG 71 - HD3 ARG 26 OK 10 28 - 36 - 1394/3.0=4, 1.8/2935=3...(8) HB2 LEU 86 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HB2 LEU 86 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HG3 ARG 70 - HD3 ARG 71 poor 8 59 - 14 - 1.8/2870=2, 2932/3.0=2...(5) HG LEU 86 - HD3 ARG 70 lone 8 93 - 9 - 2.1/5832=1 HG LEU 86 - HD2 ARG 70 lone 8 93 - 9 - 2.1/5832=1 HD3 LYS 32 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD3 LYS 32 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD2 LYS 32 - HD3 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD2 LYS 32 - HD2 ARG 70 lone 8 100 - 8 - 2869/3.0=1 HD3 LYS 32 - HD3 ARG 71 poor 7 59 - 12 - 2932/3.0=1 HG2 ARG 17 - HD3 ARG 70 lone 7 99 - 7 - HG2 ARG 17 - HD2 ARG 70 lone 7 99 - 7 - HD2 LYS 32 - HD3 ARG 71 poor 7 59 - 12 - 2932/3.0=1 HG3 ARG 17 - HD3 ARG 70 lone 7 99 - 7 - HG3 ARG 17 - HD2 ARG 70 lone 7 99 - 7 - HG2 ARG 26 - HD2 ARG 70 lone 7 98 - 7 - HG2 ARG 26 - HD3 ARG 70 lone 7 98 - 7 - HG2 ARG 27 - HD2 ARG 66 lone 7 73 - 9 - HG3 ARG 27 - HD2 ARG 66 lone 7 71 - 9 - HG2 ARG 27 - HD3 ARG 66 lone 6 69 - 9 - HG3 ARG 27 - HD3 ARG 66 lone 6 67 - 9 - HG3 ARG 84 - HD3 ARG 70 lone 6 85 - 7 - HG2 ARG 84 - HD3 ARG 70 lone 6 85 - 7 - HG2 ARG 84 - HD2 ARG 70 lone 6 85 - 7 - HG3 ARG 84 - HD2 ARG 70 lone 6 85 - 7 - HG2 ARG 27 - HD3 ARG 71 poor 5 44 - 12 - 2932/3.0=1 HG3 ARG 27 - HD3 ARG 71 poor 5 42 - 12 - 2932/3.0=1 HD3 LYS 73 - HD3 ARG 70 lone 5 100 - 5 - HD2 LYS 73 - HD3 ARG 70 lone 5 100 - 5 - HD2 LYS 73 - HD2 ARG 70 lone 5 100 - 5 - HD3 LYS 73 - HD2 ARG 70 lone 5 100 - 5 - HG2 ARG 17 - HD2 ARG 66 lone 5 90 - 5 - HG3 ARG 17 - HD2 ARG 66 lone 5 89 - 5 - HB3 LEU 62 - HD3 ARG 70 lone 5 73 - 6 - HB3 LEU 62 - HD2 ARG 70 lone 5 73 - 6 - HG2 ARG 17 - HD3 ARG 26 poor 5 28 - 17 - 1394/3.0=2 HG3 ARG 17 - HD3 ARG 26 poor 5 28 - 17 - 1394/3.0=2 HG2 ARG 17 - HD3 ARG 66 lone 4 87 - 5 - HG2 ARG 27 - HD3 ARG 26 poor 4 21 - 22 - 1394/3.0=2, ~1394=1 HG3 ARG 17 - HD3 ARG 66 lone 4 86 - 5 - HG3 ARG 27 - HD3 ARG 26 poor 4 20 - 22 - 1394/3.0=2, ~1394=1 HD3 LYS 73 - HD3 ARG 71 lone 4 59 - 7 - HD2 LYS 73 - HD3 ARG 71 lone 4 59 - 7 - HG2 ARG 84 - HD3 ARG 71 lone 4 44 - 9 - HG3 ARG 84 - HD3 ARG 71 lone 4 44 - 9 - HG2 ARG 27 - HD2 ARG 70 lone 4 85 - 4 - HG2 ARG 27 - HD3 ARG 70 lone 4 85 - 4 - HG3 ARG 27 - HD2 ARG 70 lone 3 83 - 4 - HG3 ARG 27 - HD3 ARG 70 lone 3 83 - 4 - HB3 LEU 62 - HD2 ARG 66 lone 3 62 - 5 - HB3 LEU 62 - HD3 ARG 66 lone 3 59 - 5 - HD3 LYS 32 - HD2 ARG 66 lone 3 92 - 3 - HD2 LYS 32 - HD2 ARG 66 lone 3 92 - 3 - HD3 LYS 32 - HD3 ARG 66 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 66 lone 3 88 - 3 - HG LEU 86 - HD2 ARG 66 lone 3 82 - 3 - HB2 LEU 86 - HD2 ARG 66 lone 3 92 - 3 - HG LEU 86 - HD3 ARG 66 lone 2 78 - 3 - HB2 LEU 86 - HD3 ARG 66 lone 2 88 - 3 - HB3 LEU 51 - HD3 ARG 70 lone 2 95 - 2 - HB3 LEU 51 - HD2 ARG 70 lone 2 94 - 2 - HB2 LEU 86 - HD3 ARG 71 lone 2 59 - 3 - HG3 ARG 70 - HD3 ARG 26 lone 2 29 - 7 - HB3 LEU 62 - HD3 ARG 71 lone 2 36 - 4 - HD3 LYS 73 - HD2 ARG 66 lone 2 92 - 2 - HD2 LYS 73 - HD2 ARG 66 lone 2 92 - 2 - HD3 LYS 73 - HD3 ARG 66 lone 1 88 - 2 - HD2 LYS 73 - HD3 ARG 66 lone 1 88 - 2 - HG LEU 86 - HD3 ARG 71 lone 1 50 - 3 - HB3 LEU 62 - HD3 ARG 26 lone 1 17 - 8 - ~5958=1, 3.1/5958=1 HD3 LYS 32 - HD3 ARG 26 lone 1 29 - 5 - HD2 LYS 32 - HD3 ARG 26 lone 1 29 - 5 - HB3 LEU 51 - HD2 ARG 66 lone 1 83 - 2 - HB3 LEU 51 - HD3 ARG 66 lone 1 80 - 2 - HB2 LEU 86 - HD3 ARG 26 lone 1 29 - 4 - HG3 ARG 84 - HD2 ARG 66 lone 1 73 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 1 73 - 1 - HG2 ARG 84 - HD3 ARG 26 lone 1 21 - 5 - HG3 ARG 84 - HD3 ARG 26 lone 1 21 - 5 - HG2 ARG 84 - HD3 ARG 66 lone 1 69 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 1 69 - 1 - HG LEU 86 - HD3 ARG 26 lone 1 24 - 4 - HD3 LYS 73 - HD3 ARG 26 lone 1 29 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 29 - 2 - HB3 LEU 51 - HD3 ARG 71 lone 1 52 - 1 - HD2 LYS 39 - HD2 ARG 66 lone 1 50 - 1 - HD2 LYS 39 - HD3 ARG 66 lone 1 47 - 1 - HD2 LYS 39 - HD3 ARG 70 lone 0 60 - 1 - HD2 LYS 39 - HD2 ARG 70 lone 0 60 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 0 25 - 1 - HD2 LYS 39 - HD3 ARG 71 lone 0 29 - 1 - HD2 LYS 39 - HD3 ARG 26 lone 0 13 - 1 - Peak 2894 from cnoeabs.peaks (3.21, 3.20, 43.49 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 77 77 - 100 HD3 ARG 66 + HD3 ARG 66 OK 69 69 - 100 HD3 ARG 71 + HD3 ARG 71 OK 57 57 - 100 Reference assignment not found: HD2 ARG 70 - HD3 ARG 70 Peak 2895 from cnoeabs.peaks (3.20, 3.20, 43.49 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HD3 ARG 70 + HD3 ARG 70 OK 100 100 - 100 HD2 ARG 70 + HD2 ARG 70 OK 100 100 - 100 HD2 ARG 66 + HD2 ARG 66 OK 80 80 - 100 HD3 ARG 66 + HD3 ARG 66 OK 73 73 - 100 HD3 ARG 71 + HD3 ARG 71 OK 58 58 - 100 HD3 ARG 26 - HD3 ARG 26 OK 13 13 - 100 Peak 2896 from cnoeabs.peaks (8.11, 4.08, 58.40 ppm; 3.25 A): 3 out of 15 assignments used, quality = 1.00: * H ARG 71 + HA ARG 71 OK 100 100 - 100 - 2.9=100 H ARG 26 + HA ARG 26 OK 58 58 - 100 - 3.0=100 H ARG 26 + HA GLU 25 OK 51 61 - 85 - 3.6=76, 904/2.9=10...(9) H ARG 71 - HA ARG 26 OK 30 90 - 34 - 775=8, 779/3.7=4...(9) H ARG 26 - HA ARG 71 OK 19 71 - 28 - 526=4, 2928/3.8=4...(11) H LYS 75 - HA ARG 71 OK 16 92 - 17 - 5397/3.6=3, 4.6/5836=3...(7) H ARG 71 - HA GLU 25 OK 12 93 - 13 - 775=3, 904/2.9=2, 5.0/2929=1 H LYS 85 - HA ARG 71 lone 8 100 - 8 - 5397/3.6=2, 5391/4.7=2 H LYS 75 - HA ARG 26 lone 5 78 - 6 - 4.6/6010=2, 4.6/5836=2 H THR 88 - HA ARG 26 lone 3 58 - 6 - 5380/3.6=3 H LYS 75 - HA GLU 25 lone 3 81 - 4 - 4.6/6010=1, 4.6/5836=1 H THR 88 - HA GLU 25 lone 3 61 - 5 - 904/2.9=1 H LYS 85 - HA ARG 26 lone 2 90 - 3 - H LYS 85 - HA GLU 25 lone 2 93 - 2 - H THR 88 - HA ARG 71 lone 2 71 - 2 - Peak 2897 from cnoeabs.peaks (4.08, 4.08, 58.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ARG 71 + HA ARG 71 OK 100 100 - 100 HA ARG 26 + HA ARG 26 OK 88 88 - 100 HA GLU 25 + HA GLU 25 OK 84 84 - 100 Peak 2898 from cnoeabs.peaks (1.85, 4.08, 58.40 ppm; 2.91 A): 4 out of 42 assignments used, quality = 1.00: * HB2 ARG 71 + HA ARG 71 OK 94 100 - 94 - 3.0=90, 777/2.9=6...(16) HB3 ARG 71 + HA ARG 71 OK 94 100 - 94 - 3.0=90, 776/2.9=6...(16) HB2 ARG 26 + HA ARG 26 OK 50 53 - 94 - 3.0=91, 527/3.0=4...(13) HB3 ARG 26 + HA ARG 26 OK 48 51 - 94 - 3.0=91, 527/3.0=4...(13) HB2 ARG 71 - HA ARG 26 OK 26 90 - 30 - 2.8/2929=4, 4.0/775=3...(10) HB3 ARG 71 - HA ARG 26 OK 26 90 - 29 - 2.8/2929=4, 4.0/775=3...(10) HB2 ARG 66 - HA ARG 71 OK 21 76 - 28 - 1.8/5372=2, 4.0/5036=2...(13) HB2 ARG 27 - HA ARG 26 OK 21 90 - 23 - 536/3.6=4, ~5345=3...(7) HB3 ARG 27 - HA ARG 26 OK 21 90 - 23 - 536/3.6=4, ~5345=3...(7) HB2 ARG 26 - HA ARG 71 OK 20 65 - 31 - 3.0/1391=4, 4.6/61=2...(11) HB3 ARG 26 - HA ARG 71 OK 19 63 - 31 - 3.0/1391=4, 4.6/61=2...(11) HB2 ARG 27 - HA ARG 71 OK 15 100 - 15 - 4.1/61=2, 777/2.9=1 HB3 ARG 27 - HA ARG 71 OK 15 100 - 15 - 4.1/61=2, 776/2.9=1 HB2 ARG 27 - HA GLU 25 OK 14 93 - 15 - 4.1/61=2, 4.3/5347=2 HB3 ARG 27 - HA GLU 25 OK 14 93 - 15 - 4.1/61=2, 4.3/5347=2 HB2 ARG 26 - HA GLU 25 OK 13 56 - 24 - 3.9/55=5, 3.0/1391=2...(7) HB2 ARG 17 - HA ARG 71 OK 13 95 - 14 - 2930/3.8=1, 1.8/2901=1 HB3 ARG 26 - HA GLU 25 OK 12 53 - 24 - 3.9/55=5, 3.0/1391=2...(7) HB2 ARG 66 - HA ARG 26 OK 11 63 - 18 - 4.0/5036=2, 1.8/5372=2...(5) HB3 ARG 71 - HA GLU 25 OK 10 93 - 11 - 2.8/2929=1, 4.0/775=1 HB2 ARG 71 - HA GLU 25 OK 10 93 - 11 - 2.8/2929=1, 4.0/775=1 HB3 PRO 34 - HA ARG 71 lone 8 81 - 10 - HB2 LYS 75 - HA ARG 71 lone 6 97 - 7 - 314/3.6=1 HB3 ARG 23 - HA ARG 71 lone 6 100 - 6 - HB2 ARG 23 - HA ARG 71 lone 6 99 - 6 - HB2 ARG 17 - HA ARG 26 lone 6 81 - 7 - HB3 PRO 34 - HA ARG 26 lone 4 67 - 6 - HB3 ARG 23 - HA ARG 26 lone 4 89 - 4 - 536/3.6=1 HB2 ARG 23 - HA ARG 26 lone 4 88 - 4 - 536/3.6=1 HB2 LYS 39 - HA ARG 71 lone 3 100 - 3 - HB3 ARG 23 - HA GLU 25 lone 3 92 - 3 - HB2 ARG 23 - HA GLU 25 lone 3 91 - 3 - HB ILE 89 - HA ARG 71 lone 2 60 - 4 - HB ILE 89 - HA ARG 26 lone 2 49 - 5 - 3604/3.6=1 HB ILE 89 - HA GLU 25 lone 2 51 - 4 - HB2 ARG 66 - HA GLU 25 lone 2 65 - 3 - HB2 ARG 17 - HA GLU 25 lone 1 84 - 2 - HB2 LYS 39 - HA ARG 26 lone 1 90 - 1 - HB2 LYS 75 - HA ARG 26 lone 1 85 - 1 - HB2 LYS 75 - HA GLU 25 lone 1 88 - 1 - HB2 LYS 39 - HA GLU 25 lone 1 93 - 1 - HB3 PRO 34 - HA GLU 25 lone 1 70 - 1 - Peak 2899 from cnoeabs.peaks (1.85, 4.08, 58.40 ppm; 2.91 A): 4 out of 39 assignments used, quality = 1.00: * HB3 ARG 71 + HA ARG 71 OK 94 100 - 94 - 3.0=90, 776/2.9=6...(16) HB2 ARG 71 + HA ARG 71 OK 94 100 - 94 - 3.0=90, 777/2.9=6...(16) HB2 ARG 26 + HA ARG 26 OK 52 56 - 94 - 3.0=91, 527/3.0=4...(13) HB3 ARG 26 + HA ARG 26 OK 50 53 - 94 - 3.0=91, 527/3.0=4...(13) HB2 ARG 71 - HA ARG 26 OK 26 90 - 30 - 2.8/2929=4, 4.0/775=3...(10) HB3 ARG 71 - HA ARG 26 OK 26 90 - 30 - 2.8/2929=4, 4.0/775=3...(10) HB2 ARG 66 - HA ARG 71 OK 22 78 - 28 - 1.8/5372=2, 4.0/5036=2...(13) HB2 ARG 26 - HA ARG 71 OK 21 68 - 31 - 3.0/1391=4, 4.6/61=2...(11) HB2 ARG 27 - HA ARG 26 OK 21 90 - 23 - 536/3.6=4, ~5345=3...(7) HB3 ARG 27 - HA ARG 26 OK 21 90 - 23 - 536/3.6=4, ~5345=3...(7) HB3 ARG 26 - HA ARG 71 OK 20 65 - 31 - 3.0/1391=4, 4.6/61=2...(11) HB3 ARG 27 - HA ARG 71 OK 15 100 - 15 - 4.1/61=2, 776/2.9=1 HB2 ARG 27 - HA ARG 71 OK 15 100 - 15 - 4.1/61=2, 777/2.9=1 HB2 ARG 26 - HA GLU 25 OK 14 58 - 24 - 3.9/55=5, 3.0/1391=2...(7) HB3 ARG 27 - HA GLU 25 OK 14 93 - 15 - 4.1/61=2, 4.3/5347=2, 527/3.6=1 HB2 ARG 27 - HA GLU 25 OK 14 93 - 15 - 4.1/61=2, 4.3/5347=2 HB3 ARG 26 - HA GLU 25 OK 13 56 - 24 - 3.9/55=5, 3.0/1391=2...(7) HB2 ARG 17 - HA ARG 71 OK 13 93 - 14 - 2930/3.8=1, 1.8/2901=1 HB2 ARG 66 - HA ARG 26 OK 12 65 - 18 - 4.0/5036=2, 1.8/5372=2...(5) HB3 ARG 71 - HA GLU 25 OK 10 93 - 11 - 2.8/2929=1, 4.0/775=1 HB2 ARG 71 - HA GLU 25 OK 10 93 - 11 - 2.8/2929=1, 4.0/775=1 HB3 PRO 34 - HA ARG 71 lone 8 83 - 10 - HB2 LYS 75 - HA ARG 71 lone 6 97 - 7 - 314/3.6=1 HB3 ARG 23 - HA ARG 71 lone 6 99 - 6 - HB2 ARG 23 - HA ARG 71 lone 6 99 - 6 - HB2 ARG 17 - HA ARG 26 lone 5 80 - 7 - HB3 PRO 34 - HA ARG 26 lone 4 69 - 6 - HB3 ARG 23 - HA ARG 26 lone 4 88 - 4 - 536/3.6=1 HB2 ARG 23 - HA ARG 26 lone 4 88 - 4 - 536/3.6=1 HB2 LYS 39 - HA ARG 71 lone 3 100 - 3 - HB3 ARG 23 - HA GLU 25 lone 3 91 - 3 - HB2 ARG 23 - HA GLU 25 lone 3 90 - 3 - HB2 ARG 66 - HA GLU 25 lone 2 68 - 3 - HB2 ARG 17 - HA GLU 25 lone 1 83 - 2 - HB2 LYS 39 - HA ARG 26 lone 1 90 - 1 - HB2 LYS 75 - HA ARG 26 lone 1 84 - 1 - HB2 LYS 75 - HA GLU 25 lone 1 87 - 1 - HB2 LYS 39 - HA GLU 25 lone 1 93 - 1 - HB3 PRO 34 - HA GLU 25 lone 1 72 - 1 - Peak 2900 from cnoeabs.peaks (1.62, 4.08, 58.40 ppm; 3.05 A): 4 out of 48 assignments used, quality = 0.95: * HG2 ARG 71 + HA ARG 71 OK 73 100 - 73 - 3.8=51, ~2928=6...(20) HG2 ARG 26 + HA ARG 26 OK 65 90 - 72 - 3.7=57, ~1390=6...(15) HG3 ARG 70 + HA ARG 71 OK 31 99 - 31 - ~307=4, 778/2.9=3...(15) HG2 ARG 26 + HA ARG 71 OK 30 100 - 31 - 1.8/1391=5, ~1390=2...(9) HG2 ARG 71 - HA ARG 26 OK 30 90 - 34 - 1.8/2929=5, 2921=3...(12) HG2 ARG 17 - HA ARG 71 OK 19 100 - 19 - 2932/3.8=2 HG3 ARG 17 - HA ARG 71 OK 19 100 - 19 - 2932/3.8=2 HG2 ARG 27 - HA ARG 26 OK 18 83 - 22 - 537/3.6=4, 529/3.0=2...(6) HG3 ARG 27 - HA ARG 26 OK 17 81 - 22 - 537/3.6=4, 529/3.0=2...(6) HG2 ARG 26 - HA GLU 25 OK 17 93 - 19 - 4.9/55=4, 1.8/1391=3...(8) HG2 ARG 27 - HA ARG 71 OK 16 96 - 16 - 5.0/61=2, 1383=1, 1.8/1383=1 HG3 ARG 27 - HA ARG 71 OK 15 95 - 16 - 5.0/61=2, 1383=1, 1.8/1383=1 HD3 LYS 32 - HA ARG 71 OK 13 99 - 14 - 2921=1, 1.8/2921=1 HD2 LYS 32 - HA ARG 71 OK 13 98 - 13 - 2921=1, 1.8/2921=1 HD3 LYS 73 - HA ARG 71 OK 11 98 - 12 - 2921=1, 1.8/2921=1...(4) HD2 LYS 73 - HA ARG 71 OK 11 98 - 12 - 2921=1, 1.8/2921=1...(4) HG2 ARG 27 - HA GLU 25 OK 10 86 - 12 - 529/3.6=2, 5.0/61=2 HG3 ARG 27 - HA GLU 25 OK 10 84 - 12 - 529/3.6=2, 5.0/61=2 HG2 ARG 71 - HA GLU 25 poor 10 93 - 11 - 1.8/2929=2, 529/3.6=2, 2921=1 HG2 ARG 17 - HA ARG 26 poor 9 90 - 10 - 1394/3.7=1, 64/3.6=1 HG3 ARG 17 - HA ARG 26 poor 9 90 - 10 - 1394/3.7=1, 64/3.6=1 HG3 ARG 70 - HA ARG 26 lone 8 88 - 9 - 5.0/775=2, 1.8/5395=1 HB2 LEU 86 - HA ARG 71 lone 6 100 - 6 - HG2 ARG 84 - HA ARG 71 lone 6 68 - 8 - HG3 ARG 84 - HA ARG 71 lone 6 68 - 8 - HB2 LEU 86 - HA ARG 26 lone 5 89 - 6 - HD3 LYS 32 - HA ARG 26 lone 5 88 - 5 - HD2 LYS 32 - HA ARG 26 lone 5 86 - 5 - HG LEU 86 - HA ARG 71 lone 5 81 - 6 - HG LEU 86 - HA ARG 26 lone 4 67 - 6 - HG3 ARG 70 - HA GLU 25 lone 3 90 - 3 - HD2 LYS 73 - HA ARG 26 lone 3 86 - 3 - HD3 LYS 73 - HA ARG 26 lone 3 86 - 3 - HB3 LEU 51 - HA GLU 25 lone 3 72 - 4 - HG3 ARG 17 - HA GLU 25 lone 3 93 - 3 - HG2 ARG 17 - HA GLU 25 lone 3 93 - 3 - HB2 LEU 86 - HA GLU 25 lone 3 92 - 3 - HD3 LYS 32 - HA GLU 25 lone 2 90 - 3 - HD2 LYS 32 - HA GLU 25 lone 2 89 - 3 - HG3 ARG 84 - HA ARG 26 lone 2 56 - 4 - HG2 ARG 84 - HA ARG 26 lone 2 56 - 4 - HB3 LEU 51 - HA ARG 71 lone 2 83 - 2 - HG LEU 86 - HA GLU 25 lone 2 70 - 2 - HD2 LYS 73 - HA GLU 25 lone 1 89 - 2 - HD3 LYS 73 - HA GLU 25 lone 1 89 - 2 - HB3 LEU 51 - HA ARG 26 lone 1 69 - 2 - HG3 ARG 84 - HA GLU 25 lone 1 58 - 2 - HG2 ARG 84 - HA GLU 25 lone 1 58 - 2 - Peak 2901 from cnoeabs.peaks (1.75, 4.08, 58.40 ppm; 3.26 A): 2 out of 48 assignments used, quality = 0.95: * HG3 ARG 71 + HA ARG 71 OK 81 100 - 81 - 3.8=63, 2928/2.9=11...(20) HG3 ARG 26 + HA ARG 26 OK 75 90 - 83 - 3.7=70, 1390/3.0=12...(15) HG3 ARG 26 - HA ARG 71 OK 39 100 - 39 - 1391=6, 1390/2.9=4...(14) HG3 ARG 71 - HA ARG 26 OK 35 90 - 39 - 2929=7, 2928/3.0=4...(16) HG3 ARG 26 - HA GLU 25 OK 28 92 - 31 - 1390/3.6=10, 5926/3.0=5...(8) HB3 ARG 17 - HA ARG 71 OK 18 99 - 19 - 1164/3.0=2, 1164/3.0=2...(4) HB2 LEU 62 - HA ARG 26 OK 18 89 - 20 - 1.8/4186=2, ~5962=2...(11) HB2 LEU 62 - HA ARG 71 OK 15 100 - 15 - 779/2.9=2, 1.8/4186=2...(6) HG2 PRO 34 - HA ARG 71 OK 14 99 - 14 - 1723/3.0=2, 1723/3.0=2...(4) HG3 ARG 71 - HA GLU 25 OK 13 93 - 14 - 2928/3.6=4, 2929=2...(4) HB3 LYS 32 - HA ARG 71 poor 9 78 - 11 - 779/2.9=1, 2.9/4161=1...(4) HB2 LYS 32 - HA ARG 71 poor 9 78 - 11 - 779/2.9=1, 2.9/4161=1...(4) HG2 PRO 34 - HA ARG 26 poor 9 87 - 10 - 1723/3.0=2, 1723/3.0=2 HB3 ARG 17 - HA ARG 26 lone 9 87 - 10 - 65/3.6=2 HB2 PRO 34 - HA ARG 71 poor 8 63 - 12 - HB3 LYS 73 - HA ARG 71 poor 7 68 - 11 - 5841/3.6=2, 779/2.9=1 HB2 LEU 62 - HA GLU 25 lone 5 92 - 5 - 530/3.6=2 HB2 ARG 84 - HA ARG 71 lone 5 71 - 6 - HB2 LEU 57 - HA ARG 26 lone 4 78 - 6 - HB2 PRO 34 - HA ARG 26 lone 4 51 - 8 - HB2 ARG 54 - HA ARG 71 lone 3 93 - 4 - HB2 LYS 32 - HA ARG 26 lone 3 65 - 5 - HB3 LYS 32 - HA ARG 26 lone 3 65 - 5 - HB2 LEU 57 - HA ARG 71 lone 3 92 - 3 - HB2 ARG 84 - HA ARG 26 lone 3 58 - 5 - HB3 ARG 82 - HA ARG 71 lone 3 93 - 3 - HB3 ARG 17 - HA GLU 25 lone 3 90 - 3 - HB3 LYS 73 - HA ARG 26 lone 2 56 - 4 - HB2 LEU 43 - HA ARG 71 lone 2 65 - 3 - HB ILE 33 - HA GLU 25 lone 2 78 - 3 - HB ILE 33 - HA ARG 71 lone 2 89 - 2 - HB ILE 33 - HA ARG 26 lone 2 75 - 3 - HB3 LYS 85 - HA ARG 71 lone 2 60 - 3 - HB2 LEU 57 - HA GLU 25 lone 2 81 - 2 - HB2 LYS 32 - HA GLU 25 lone 2 68 - 3 - HB3 LYS 32 - HA GLU 25 lone 2 68 - 3 - HG2 PRO 34 - HA GLU 25 lone 2 90 - 2 - HB2 ARG 84 - HA GLU 25 lone 2 61 - 3 - HB2 LEU 43 - HA ARG 26 lone 2 53 - 3 - HB2 ARG 54 - HA ARG 26 lone 1 80 - 2 - HB3 ARG 82 - HA ARG 26 lone 1 80 - 2 - HB3 LYS 73 - HA GLU 25 lone 1 58 - 2 - HB2 ARG 54 - HA GLU 25 lone 1 83 - 1 - HB3 LYS 85 - HA ARG 26 lone 1 49 - 2 - HB3 ARG 82 - HA GLU 25 lone 1 83 - 1 - HB2 LEU 43 - HA GLU 25 lone 1 56 - 1 - HB3 LYS 85 - HA GLU 25 lone 1 51 - 1 - HB2 PRO 34 - HA GLU 25 lone 1 53 - 1 - Peak 2902 from cnoeabs.peaks (3.14, 4.08, 58.40 ppm; 4.43 A): 2 out of 33 assignments used, quality = 0.97: * HD2 ARG 71 + HA ARG 71 OK 94 100 - 94 - 4.7=85, ~2928=10...(22) HD2 ARG 71 + HA ARG 26 OK 44 90 - 49 - 3.0/2929=9, 3.0/2921=5...(18) HD3 ARG 17 - HA ARG 71 OK 27 83 - 34 - 2934/3.8=3, 2937=3...(8) HD2 ARG 17 - HA ARG 71 OK 27 83 - 34 - 2934/3.8=3, 2937=3...(8) HD2 ARG 84 - HA ARG 71 OK 18 99 - 18 - 2934/3.8=2, 2937=2...(4) HD3 ARG 84 - HA ARG 71 OK 18 98 - 18 - 2934/3.8=2, 2937=2...(4) HD2 ARG 27 - HA ARG 71 OK 16 60 - 27 - 6.3/61=3, 2934/3.8=2...(6) HD3 ARG 27 - HA ARG 71 OK 16 60 - 27 - 6.3/61=3, 2934/3.8=2...(6) HD2 ARG 27 - HA ARG 26 OK 14 49 - 28 - 6.3/6153=3, ~529=2...(11) HD3 ARG 27 - HA ARG 26 OK 14 49 - 28 - 6.3/6153=3, ~529=2...(11) HD2 ARG 23 - HA ARG 71 OK 13 71 - 18 - 2934/3.8=2, 2937=1, 1.8/2937=1 HD3 ARG 23 - HA ARG 71 OK 13 71 - 18 - 2934/3.8=2, 2937=1, 1.8/2937=1 HD2 ARG 71 - HA GLU 25 OK 13 93 - 14 - 3.0/2929=3, 3.0/2921=2...(6) HD3 ARG 17 - HA ARG 26 OK 11 69 - 16 - 2937=1, 1.8/2937=1 HD2 ARG 17 - HA ARG 26 OK 11 69 - 16 - 2937=1, 1.8/2937=1 HD2 ARG 84 - HA ARG 26 lone 7 88 - 8 - HD3 ARG 84 - HA ARG 26 lone 7 86 - 8 - HD3 ARG 27 - HA GLU 25 poor 7 51 - 13 - 6.3/61=3, ~3757=1, 532/3.6=1 HD2 ARG 27 - HA GLU 25 poor 7 51 - 13 - 6.3/61=3, ~3757=1, 532/3.6=1 HD3 ARG 23 - HA ARG 26 lone 4 58 - 8 - HD2 ARG 23 - HA ARG 26 lone 4 58 - 8 - HD2 ARG 82 - HA ARG 71 lone 4 99 - 4 - HB2 PHE 48 - HA ARG 71 lone 4 90 - 4 - HD2 ARG 84 - HA GLU 25 lone 3 90 - 4 - HD3 ARG 84 - HA GLU 25 lone 3 89 - 4 - HD2 ARG 17 - HA GLU 25 lone 3 72 - 4 - HD3 ARG 17 - HA GLU 25 lone 3 72 - 4 - HB2 PHE 48 - HA GLU 25 lone 3 80 - 3 - HD2 ARG 82 - HA ARG 26 lone 2 87 - 2 - HD2 ARG 23 - HA GLU 25 lone 2 61 - 3 - HD3 ARG 23 - HA GLU 25 lone 2 61 - 3 - HB2 PHE 48 - HA ARG 26 lone 2 77 - 2 - HD2 ARG 82 - HA GLU 25 lone 1 90 - 2 - Peak 2903 from cnoeabs.peaks (3.20, 4.08, 58.40 ppm; 4.26 A): 7 out of 21 assignments used, quality = 1.00: * HD3 ARG 71 + HA ARG 71 OK 91 100 - 91 - 4.7=76, ~2928=9...(24) HD3 ARG 70 + HA ARG 71 OK 55 100 - 55 - ~307=6, 2846/4.7=5...(21) HD2 ARG 70 + HA ARG 71 OK 55 99 - 55 - ~307=6, 2846/4.7=5...(21) HD3 ARG 26 + HA ARG 26 OK 52 58 - 89 - 4.8=70, ~1390=10...(28) HD2 ARG 66 + HA ARG 71 OK 51 97 - 53 - 3.0/5167=5, 3.4/5372=4...(22) HD2 ARG 26 + HA ARG 26 OK 50 56 - 89 - 4.8=70, ~1390=10...(28) HD3 ARG 66 + HA ARG 71 OK 49 95 - 52 - 3.0/5167=5, 3.4/5372=4...(22) HD3 ARG 26 - HA ARG 71 OK 40 71 - 57 - 3.0/1391=8, ~1390=4...(24) HD3 ARG 71 - HA ARG 26 OK 39 90 - 44 - 3.0/2929=9, 3.0/2921=5...(16) HD2 ARG 26 - HA ARG 71 OK 39 68 - 57 - 3.0/1391=8, ~1390=4...(24) HD2 ARG 66 - HA ARG 26 OK 31 84 - 37 - 3.0/5167=4, 3.0/5395=3...(13) HD3 ARG 66 - HA ARG 26 OK 30 81 - 37 - 3.0/5167=4, 3.0/5395=3...(13) HD3 ARG 26 - HA GLU 25 OK 17 61 - 29 - 3.0/1391=5, 6.1/55=5...(10) HD2 ARG 26 - HA GLU 25 OK 17 58 - 29 - 3.0/1391=5, 6.1/55=5...(10) HD2 ARG 70 - HA ARG 26 OK 12 88 - 14 - 3.0/5395=2, 3.5/5372=1 HD3 ARG 70 - HA ARG 26 OK 12 89 - 14 - 3.0/5395=2, 3.5/5372=1 HD3 ARG 71 - HA GLU 25 OK 12 93 - 12 - 3.0/2929=3, 3.0/2921=2...(5) HD2 ARG 66 - HA GLU 25 lone 6 87 - 6 - 532/3.6=1 HD3 ARG 66 - HA GLU 25 lone 5 84 - 6 - 532/3.6=1 HD3 ARG 70 - HA GLU 25 lone 4 92 - 4 - HD2 ARG 70 - HA GLU 25 lone 4 91 - 4 - Peak 2904 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.75 A): 2 out of 55 assignments used, quality = 0.99: H ARG 71 + HB3 ARG 71 OK 92 100 - 92 - 4.0=83, 2928/2.8=15...(15) * H ARG 71 + HB2 ARG 71 OK 92 100 - 92 - 4.0=83, 2928/2.8=15...(15) H ARG 26 - HB2 ARG 26 OK 28 30 - 93 - 3.9=88, 5380/4.6=10...(15) H ARG 26 - HB2 ARG 27 OK 27 71 - 39 - 5380/4.1=12, 5345/3.0=8...(10) H ARG 26 - HB3 ARG 27 OK 27 71 - 39 - 5380/4.1=12, 5345/3.0=8...(11) H ARG 26 - HB3 ARG 26 OK 26 28 - 93 - 3.9=88, 5380/4.6=10...(15) H ARG 26 - HB2 ARG 71 OK 24 71 - 35 - 2928/2.8=6, ~2929=3...(13) H ARG 26 - HB3 ARG 71 OK 24 71 - 35 - 2928/2.8=6, ~2929=3...(14) H ARG 71 - HB2 ARG 66 OK 23 55 - 42 - 305/1.8=8, 307/2.8=6...(14) H ARG 71 - HB2 ARG 26 OK 21 51 - 42 - 775/3.0=6, 779/3.0=6...(15) H ARG 71 - HB2 ARG 27 OK 21 100 - 21 - 5380/4.1=3, 777=3...(6) H ARG 71 - HB3 ARG 27 OK 21 100 - 21 - 5380/4.1=3, 776=3...(6) H ARG 71 - HB3 ARG 26 OK 20 49 - 41 - 775/3.0=6, 779/3.0=6...(15) H LYS 75 - HB2 ARG 71 OK 17 92 - 18 - 5397/4.4=3, 803=3...(7) H LYS 75 - HB3 ARG 71 OK 17 92 - 18 - 5397/4.4=3, 803=3...(7) H LYS 85 - HB2 ARG 71 lone 10 100 - 10 - 5397/4.4=2, 2928/2.8=2 H LYS 85 - HB3 ARG 71 lone 10 100 - 10 - 5397/4.4=2, 2928/2.8=2 H ARG 71 - HB2 ARG 17 poor 8 52 - 15 - 779/1.8=3, 776=2...(5) H THR 88 - HB2 ARG 27 lone 7 71 - 10 - 873/3.0=3, 5380/4.1=3, ~3587=2 H THR 88 - HB3 ARG 27 lone 7 71 - 10 - 873/3.0=3, 5380/4.1=3, ~3587=2 H ARG 71 - HB3 ARG 23 lone 6 79 - 7 - H ARG 71 - HB2 ARG 23 lone 5 79 - 7 - H LYS 75 - HB3 ARG 23 lone 5 67 - 8 - 803=1 H LYS 75 - HB2 ARG 23 lone 5 67 - 8 - 803=1 H ARG 26 - HB2 ARG 66 poor 5 32 - 16 - ~5167=2, ~5165=2...(6) H LYS 75 - HB2 ARG 27 lone 5 92 - 5 - H LYS 75 - HB3 ARG 27 lone 5 92 - 5 - H ARG 71 - HB3 PRO 34 lone 4 51 - 7 - 779/2.3=1 H ARG 26 - HB3 ARG 23 lone 3 49 - 7 - 5345/3.0=2, 4.6/536=1 H ARG 26 - HB2 ARG 23 lone 3 48 - 7 - 5345/3.0=2, 4.6/536=1 H LYS 85 - HB2 ARG 27 lone 3 100 - 3 - H LYS 85 - HB3 ARG 27 lone 3 100 - 3 - H ARG 26 - HB2 ARG 17 lone 2 30 - 8 - 530/1.8=1 H LYS 85 - HB2 ARG 17 lone 2 52 - 4 - H THR 88 - HB2 ARG 71 lone 2 71 - 3 - H THR 88 - HB3 ARG 71 lone 2 71 - 3 - H THR 88 - HB2 ARG 26 lone 2 30 - 6 - 5380/4.6=2 H LYS 85 - HB3 ARG 23 lone 2 79 - 2 - H LYS 85 - HB2 ARG 23 lone 2 78 - 2 - H THR 88 - HB3 ARG 26 lone 2 28 - 5 - 5380/4.6=2 H LYS 75 - HB2 ARG 66 lone 1 46 - 3 - H THR 88 - HB3 ARG 23 lone 1 49 - 3 - 873/3.0=1 H THR 88 - HB2 ARG 23 lone 1 48 - 3 - 873/3.0=1 H LYS 85 - HB2 ARG 26 lone 1 51 - 3 - H LYS 85 - HB3 ARG 26 lone 1 49 - 3 - H THR 88 - HB2 ARG 17 lone 1 30 - 4 - H LYS 75 - HB2 ARG 17 lone 1 43 - 3 - H LYS 85 - HB2 ARG 66 lone 1 55 - 2 - H ARG 26 - HB3 PRO 34 lone 1 29 - 4 - H LYS 75 - HB2 ARG 26 lone 1 42 - 2 - H LYS 75 - HB3 ARG 26 lone 1 40 - 2 - H LYS 75 - HB3 PRO 34 lone 1 42 - 2 - H LYS 85 - HB3 PRO 34 lone 1 51 - 1 - H THR 88 - HB3 PRO 34 lone 0 29 - 2 - H THR 88 - HB2 ARG 66 lone 0 32 - 1 - Peak 2905 from cnoeabs.peaks (4.08, 1.85, 30.22 ppm; 3.25 A): 4 out of 55 assignments used, quality = 1.00: * HA ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.0=100 HA ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.0=100 HA ARG 26 + HB2 ARG 26 OK 49 49 - 100 - 3.0=100 HA ARG 26 + HB3 ARG 26 OK 47 47 - 100 - 3.0=100 HA ARG 26 - HB2 ARG 71 OK 36 99 - 37 - 2929/2.8=5, 775/4.0=4...(13) HA ARG 26 - HB3 ARG 71 OK 36 99 - 37 - 2929/2.8=5, 775/4.0=4...(13) HA ARG 26 - HB2 ARG 27 OK 28 99 - 29 - 3.6/536=5, ~5345=4...(12) HA ARG 26 - HB3 ARG 27 OK 28 99 - 29 - 3.6/536=5, ~5345=4...(12) HA ALA 63 - HB2 ARG 66 OK 20 47 - 43 - 4691/4.0=12, 4684/1.8=8...(11) HA ARG 71 - HB2 ARG 26 OK 20 51 - 39 - 1391/3.0=5, 61/4.6=2...(12) HA ARG 71 - HB2 ARG 66 OK 19 55 - 36 - 5036/4.0=3, 5372/1.8=3...(15) HA ARG 71 - HB2 ARG 27 OK 19 100 - 19 - 61/4.1=3, 2.9/777=1...(5) HA ARG 71 - HB3 ARG 27 OK 19 100 - 19 - 61/4.1=3, 2.9/776=1...(5) HA ARG 71 - HB3 ARG 26 OK 19 49 - 39 - 1391/3.0=5, 61/4.6=2...(13) HA GLU 25 - HB3 ARG 27 OK 18 94 - 19 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB2 ARG 27 OK 18 94 - 19 - 61/4.1=3, 5347/4.3=3...(6) HA ALA 63 - HB3 ARG 71 OK 16 93 - 17 - 2929/2.8=2, 775/4.0=2...(6) HA ALA 63 - HB2 ARG 71 OK 16 93 - 17 - 2929/2.8=2, 775/4.0=2...(6) HA GLU 25 - HB3 ARG 71 OK 13 94 - 14 - 2929/2.8=2, 775/4.0=1 HA GLU 25 - HB2 ARG 71 OK 13 95 - 14 - 2929/2.8=2, 775/4.0=1 HA GLU 25 - HB2 ARG 26 OK 13 44 - 30 - 55/3.9=6, 1391/3.0=3...(10) HA GLU 25 - HB3 ARG 26 OK 13 42 - 30 - 55/3.9=6, 1391/3.0=3...(10) HA ARG 26 - HB2 ARG 66 OK 12 53 - 24 - 5036/4.0=3, 5395/2.8=2...(7) HA ARG 71 - HB2 ARG 17 poor 9 52 - 18 - 3.8/2930=2, 2901/1.8=1 HA ARG 71 - HB3 PRO 34 poor 7 51 - 13 - HA ARG 71 - HB3 ARG 23 lone 6 79 - 8 - HA ARG 71 - HB2 ARG 23 lone 6 79 - 8 - HA ALA 63 - HB2 ARG 26 poor 6 43 - 14 - 5369/1.8=2, 5369=2...(5) HA ALA 63 - HB3 ARG 26 poor 6 41 - 14 - 5369/1.8=2, 5369=2...(5) HA VAL 90 - HB2 ARG 66 lone 6 55 - 10 - 5036/4.0=1, 3641/2.8=1 HA ALA 63 - HB3 ARG 27 lone 4 93 - 5 - HA ALA 63 - HB2 ARG 27 lone 4 93 - 5 - HA ARG 26 - HB3 ARG 23 lone 4 76 - 6 - 3.6/536=1 HA ARG 26 - HB2 ARG 23 lone 4 76 - 6 - 3.6/536=1 HA ARG 26 - HB3 PRO 34 lone 4 49 - 8 - HA ARG 26 - HB2 ARG 17 lone 4 50 - 8 - HA ALA 63 - HB2 ARG 17 lone 3 44 - 8 - 5783/4.0=2, 5783/4.3=1, ~4689=1 HA VAL 90 - HB3 ARG 71 lone 3 100 - 3 - HA VAL 90 - HB2 ARG 71 lone 3 100 - 3 - HA GLU 25 - HB3 ARG 23 lone 3 70 - 4 - HA GLU 25 - HB2 ARG 23 lone 3 70 - 4 - HA GLU 25 - HB2 ARG 66 lone 2 48 - 4 - HA VAL 90 - HB2 ARG 26 lone 2 51 - 4 - HA VAL 90 - HB3 ARG 26 lone 2 49 - 4 - HA ALA 63 - HB3 ARG 23 lone 2 69 - 3 - HA ALA 63 - HB2 ARG 23 lone 2 68 - 3 - HA VAL 90 - HB3 ARG 27 lone 1 100 - 1 - HA VAL 90 - HB2 ARG 27 lone 1 100 - 1 - HA GLU 25 - HB2 ARG 17 lone 1 45 - 2 - HA GLU 25 - HB3 PRO 34 lone 1 44 - 1 - HA VAL 90 - HB3 ARG 23 lone 0 79 - 1 - HA VAL 90 - HB2 ARG 23 lone 0 79 - 1 - HA ALA 63 - HB3 PRO 34 lone 0 43 - 1 - HA VAL 90 - HB2 ARG 17 lone 0 52 - 1 - HA VAL 90 - HB3 PRO 34 lone 0 51 - 1 - Peak 2906 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: * HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 78 78 - 100 HB2 ARG 23 + HB2 ARG 23 OK 77 77 - 100 HB2 ARG 17 + HB2 ARG 17 OK 45 45 - 100 HB2 ARG 66 - HB2 ARG 66 OK 35 35 - 100 HB3 PRO 34 - HB3 PRO 34 OK 35 35 - 100 HB2 ARG 26 - HB2 ARG 26 OK 27 27 - 100 HB3 ARG 26 - HB3 ARG 26 OK 24 24 - 100 Peak 2907 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 6 out of 11 assignments used, quality = 1.00: HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 77 77 - 100 HB2 ARG 23 + HB2 ARG 23 OK 76 76 - 100 HB2 ARG 17 - HB2 ARG 17 OK 44 44 - 100 HB2 ARG 66 - HB2 ARG 66 OK 36 36 - 100 HB3 PRO 34 - HB3 PRO 34 OK 36 36 - 100 HB2 ARG 26 - HB2 ARG 26 OK 28 28 - 100 HB3 ARG 26 - HB3 ARG 26 OK 26 26 - 100 Reference assignment not found: HB3 ARG 71 - HB2 ARG 71 Peak 2908 from cnoeabs.peaks (1.62, 1.85, 30.22 ppm; 2.84 A): 9 out of 176 assignments used, quality = 1.00: * HG2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 92 95 - 97 - 2.9=94, 1439/3.0=4...(16) HG2 ARG 27 + HB3 ARG 27 OK 92 95 - 97 - 2.9=94, 1439/3.0=4...(16) HG3 ARG 27 + HB2 ARG 27 OK 91 94 - 97 - 2.9=94, 1439/3.0=4...(16) HG3 ARG 27 + HB3 ARG 27 OK 91 94 - 97 - 2.9=94, 1439/3.0=4...(16) HG3 ARG 17 + HB2 ARG 17 OK 49 52 - 94 - 2.9=90, 1181/1.8=5...(14) HG2 ARG 17 + HB2 ARG 17 OK 49 52 - 94 - 2.9=90, 1181/1.8=5...(14) HG2 ARG 26 + HB2 ARG 26 OK 47 51 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB3 ARG 26 OK 45 49 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 33 100 - 33 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 33 100 - 33 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 17 - HB2 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB2 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 70 - HB2 ARG 66 OK 22 53 - 43 - ~2867=3, ~2866=3...(19) HG2 ARG 26 - HB2 ARG 27 OK 22 100 - 22 - 64/4.1=2, 1418/3.0=2, 1.8/1392=1 HG2 ARG 26 - HB3 ARG 27 OK 22 100 - 22 - 64/4.1=2, 1418/3.0=2, 1.8/1392=1 HG2 ARG 71 - HB2 ARG 26 OK 18 51 - 36 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB3 ARG 26 OK 17 49 - 36 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB2 ARG 27 OK 17 100 - 17 - 1.8/2930=1, 64/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 17 100 - 17 - 1.8/2930=1, 64/4.1=1, 2923=1 HG3 ARG 70 - HB2 ARG 71 OK 16 99 - 16 - 5.0/777=2, 2932/2.8=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 16 99 - 16 - 5.0/776=2, 2932/2.8=1...(4) HG2 ARG 27 - HB2 ARG 71 OK 16 96 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 15 96 - 16 - 2932/2.8=1 HG3 ARG 27 - HB2 ARG 71 OK 15 95 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 15 94 - 16 - 2932/2.8=1 HG2 ARG 17 - HB2 ARG 27 OK 13 100 - 13 - HG3 ARG 17 - HB2 ARG 27 OK 13 100 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 13 100 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 13 100 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 13 99 - 13 - 2932/2.8=1 HD3 LYS 32 - HB2 ARG 71 OK 13 99 - 13 - 2932/2.8=1 HD2 LYS 32 - HB3 ARG 71 OK 13 98 - 13 - 2932/2.8=1 HD2 LYS 32 - HB2 ARG 71 OK 13 98 - 13 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 17 OK 11 52 - 21 - 1.8/2930=2, ~1149=1...(4) HG2 ARG 27 - HB2 ARG 26 poor 9 45 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 23 poor 9 71 - 13 - HG2 ARG 27 - HB2 ARG 23 poor 9 71 - 13 - HG3 ARG 27 - HB2 ARG 26 poor 9 44 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 23 poor 9 70 - 13 - HD3 LYS 73 - HB2 ARG 71 lone 9 98 - 9 - HD2 LYS 73 - HB2 ARG 71 lone 9 98 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 9 98 - 9 - HD2 LYS 73 - HB3 ARG 71 lone 9 98 - 9 - HG3 ARG 27 - HB2 ARG 23 poor 9 70 - 13 - HG2 ARG 27 - HB3 ARG 26 poor 9 43 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB3 ARG 26 poor 9 42 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 26 - HB2 ARG 66 poor 8 55 - 16 - 1.8/1392=1 HG2 ARG 71 - HB2 ARG 66 poor 8 55 - 15 - 1.8/2931=1 HD3 LYS 32 - HB3 PRO 34 poor 7 49 - 15 - HD2 LYS 32 - HB3 PRO 34 poor 7 47 - 15 - HG3 ARG 17 - HB2 ARG 26 poor 7 51 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 7 51 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 PRO 34 poor 7 51 - 13 - 1.8/2931=1 HG3 ARG 17 - HB3 ARG 26 poor 7 49 - 13 - 1394/3.0=1 HG2 ARG 17 - HB3 ARG 26 poor 7 49 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 79 - 8 - HG2 ARG 71 - HB2 ARG 23 lone 6 79 - 8 - HG3 ARG 84 - HB2 ARG 71 lone 6 68 - 9 - HG2 ARG 84 - HB2 ARG 71 lone 6 68 - 9 - HG3 ARG 84 - HB3 ARG 71 lone 6 68 - 9 - HG2 ARG 84 - HB3 ARG 71 lone 6 68 - 9 - HG2 ARG 26 - HB2 ARG 17 poor 6 52 - 11 - HG2 ARG 17 - HB3 ARG 23 lone 5 79 - 7 - HG3 ARG 17 - HB3 ARG 23 lone 5 79 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 78 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 79 - 7 - HG2 ARG 27 - HB2 ARG 17 poor 5 46 - 11 - HG3 ARG 27 - HB2 ARG 17 poor 5 45 - 11 - HB2 LEU 86 - HB2 ARG 71 lone 5 100 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 5 100 - 4 - HG2 ARG 26 - HB3 PRO 34 lone 4 50 - 8 - HD3 LYS 32 - HB2 ARG 27 lone 4 99 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 4 99 - 4 - HD2 LYS 32 - HB2 ARG 27 lone 3 98 - 4 - HG3 ARG 70 - HB2 ARG 26 lone 4 49 - 7 - HD2 LYS 32 - HB3 ARG 27 lone 3 98 - 4 - HG LEU 86 - HB2 ARG 71 lone 3 81 - 4 - HG LEU 86 - HB3 ARG 71 lone 3 81 - 4 - HG2 ARG 26 - HB3 ARG 23 lone 3 79 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 78 - 4 - HB2 LEU 86 - HB2 ARG 17 lone 3 51 - 7 - HG3 ARG 70 - HB3 ARG 26 lone 3 47 - 7 - HB2 LEU 86 - HB3 PRO 34 lone 3 50 - 6 - HB3 LEU 51 - HB3 PRO 34 lone 3 36 - 9 - ~4862=2, ~5566=1, ~5144=1 HG2 ARG 27 - HB2 ARG 66 lone 3 49 - 6 - HG3 ARG 27 - HB2 ARG 66 lone 3 48 - 6 - HG3 ARG 70 - HB2 ARG 27 lone 3 99 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 3 99 - 3 - HD3 LYS 32 - HB2 ARG 26 lone 3 49 - 5 - HD2 LYS 32 - HB2 ARG 26 lone 2 48 - 5 - HD3 LYS 32 - HB3 ARG 26 lone 2 47 - 5 - HG3 ARG 84 - HB2 ARG 17 lone 2 29 - 8 - HG2 ARG 84 - HB2 ARG 17 lone 2 29 - 8 - HD2 LYS 32 - HB3 ARG 26 lone 2 46 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 50 - 4 - HB2 LEU 86 - HB2 ARG 27 lone 2 100 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 100 - 2 - HB2 LEU 86 - HB3 ARG 26 lone 2 48 - 4 - HG3 ARG 17 - HB2 ARG 66 lone 2 55 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 55 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 2 53 - 3 - HD2 LYS 32 - HB2 ARG 66 lone 2 51 - 3 - HG LEU 86 - HB2 ARG 17 lone 2 36 - 5 - HG2 ARG 27 - HB3 PRO 34 lone 2 45 - 4 - HD2 LYS 73 - HB2 ARG 27 lone 2 98 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 2 98 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 2 98 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 2 98 - 2 - HG3 ARG 27 - HB3 PRO 34 lone 2 44 - 4 - HG LEU 86 - HB2 ARG 27 lone 2 80 - 2 - HD2 LYS 73 - HB2 ARG 17 lone 2 48 - 3 - HD3 LYS 73 - HB2 ARG 17 lone 2 48 - 3 - HG LEU 86 - HB3 ARG 27 lone 2 80 - 2 - HD3 LYS 32 - HB2 ARG 17 lone 2 50 - 3 - HG LEU 86 - HB2 ARG 26 lone 1 35 - 4 - HD2 LYS 32 - HB2 ARG 17 lone 1 48 - 3 - HG LEU 86 - HB3 ARG 26 lone 1 33 - 4 - HG3 ARG 70 - HB2 ARG 17 lone 1 50 - 3 - HG3 ARG 84 - HB2 ARG 26 lone 1 28 - 5 - HG2 ARG 84 - HB2 ARG 26 lone 1 28 - 5 - HB3 LEU 51 - HB2 ARG 71 lone 1 83 - 2 - HB3 LEU 51 - HB3 ARG 71 lone 1 83 - 2 - HG3 ARG 84 - HB3 ARG 26 lone 1 27 - 5 - HG2 ARG 84 - HB3 ARG 26 lone 1 27 - 5 - HD2 LYS 73 - HB3 ARG 23 lone 1 75 - 2 - HD3 LYS 73 - HB3 ARG 23 lone 1 75 - 2 - HG2 ARG 84 - HB2 ARG 27 lone 1 68 - 2 - HG3 ARG 84 - HB2 ARG 27 lone 1 68 - 2 - HG2 ARG 84 - HB3 ARG 27 lone 1 68 - 2 - HG3 ARG 84 - HB3 ARG 27 lone 1 68 - 2 - HD2 LYS 73 - HB2 ARG 26 lone 1 48 - 3 - HD3 LYS 73 - HB2 ARG 26 lone 1 48 - 3 - HD3 LYS 73 - HB2 ARG 23 lone 1 74 - 2 - HD2 LYS 73 - HB2 ARG 23 lone 1 74 - 2 - HD2 LYS 73 - HB3 ARG 26 lone 1 46 - 3 - HD3 LYS 73 - HB3 ARG 26 lone 1 46 - 3 - HD3 LYS 73 - HB3 PRO 34 lone 1 47 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 47 - 2 - HB2 LEU 86 - HB3 ARG 23 lone 1 78 - 1 - HB2 LEU 86 - HB2 ARG 23 lone 1 77 - 1 - HD2 LYS 73 - HB2 ARG 66 lone 1 51 - 2 - HD3 LYS 73 - HB2 ARG 66 lone 1 51 - 2 - HD3 LYS 32 - HB3 ARG 23 lone 1 76 - 1 - HB2 LEU 86 - HB2 ARG 66 lone 1 54 - 2 - HD3 LYS 32 - HB2 ARG 23 lone 1 76 - 1 - HB3 LEU 51 - HB2 ARG 27 lone 1 83 - 1 - HB3 LEU 51 - HB3 ARG 27 lone 1 83 - 1 - HG3 ARG 70 - HB3 ARG 23 lone 1 76 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 76 - 1 - HD2 LYS 32 - HB3 ARG 23 lone 1 75 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 74 - 1 - HG LEU 86 - HB3 PRO 34 lone 1 35 - 2 - HG LEU 86 - HB3 ARG 23 lone 1 57 - 1 - HG LEU 86 - HB2 ARG 23 lone 1 56 - 1 - HG2 ARG 84 - HB3 ARG 23 lone 1 47 - 1 - HG3 ARG 84 - HB3 ARG 23 lone 1 47 - 1 - HG2 ARG 84 - HB2 ARG 23 lone 1 46 - 1 - HG3 ARG 84 - HB2 ARG 23 lone 1 46 - 1 - HG LEU 86 - HB2 ARG 66 lone 1 38 - 2 - HB3 LEU 51 - HB3 ARG 23 lone 1 59 - 1 - HB3 LEU 51 - HB2 ARG 23 lone 1 58 - 1 - HG3 ARG 17 - HB3 PRO 34 lone 0 51 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 0 51 - 1 - HG2 ARG 84 - HB3 PRO 34 lone 1 28 - 2 - HG3 ARG 84 - HB3 PRO 34 lone 1 28 - 2 - HB3 LEU 51 - HB2 ARG 26 lone 0 36 - 1 - HB3 LEU 51 - HB3 ARG 26 lone 0 35 - 1 - HB3 LEU 51 - HB2 ARG 66 lone 0 39 - 1 - HB3 LEU 51 - HB2 ARG 17 lone 0 37 - 1 - HG3 ARG 70 - HB3 PRO 34 lone 0 49 - 1 - HG2 ARG 84 - HB2 ARG 66 lone 0 31 - 1 - HG3 ARG 84 - HB2 ARG 66 lone 0 31 - 1 - Peak 2909 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 4 out of 176 assignments used, quality = 0.98: * HG3 ARG 71 + HB2 ARG 71 OK 71 100 - 71 - 2.8=63, 2928/4.0=4...(7) HG3 ARG 71 + HB3 ARG 71 OK 71 100 - 71 - 2.8=63, 2928/4.0=4...(7) HB3 ARG 17 + HB2 ARG 17 OK 49 49 - 100 - 1.8=100 HG2 PRO 34 + HB3 PRO 34 OK 48 48 - 100 - 2.3=100 HG3 ARG 26 - HB2 ARG 26 OK 32 51 - 64 - 3.0=53, 1390/3.9=4...(5) HG3 ARG 26 - HB3 ARG 26 OK 31 49 - 64 - 3.0=53, 1390/3.9=4...(5) HB2 PRO 34 - HB3 PRO 34 OK 25 25 - 100 - 1.8=100 HG3 ARG 26 - HB2 ARG 71 OK 24 100 - 24 - 1394/2.8=2, 1391/3.0=2...(5) HG3 ARG 26 - HB3 ARG 71 OK 24 100 - 24 - 1394/2.8=2, 1391/3.0=2...(5) HG3 ARG 26 - HB3 ARG 27 OK 17 100 - 18 - 65/4.1=2, 1394/2.9=1...(4) HG3 ARG 26 - HB2 ARG 27 OK 17 100 - 18 - 65/4.1=2, 1394/2.9=1...(4) HB ILE 33 - HB3 PRO 34 OK 17 40 - 43 - ~4215=4, ~4214=4...(23) HB3 ARG 17 - HB2 ARG 71 OK 13 99 - 14 - 3.0/1148=1 HB3 ARG 17 - HB3 ARG 71 OK 13 99 - 14 - 3.0/1148=1 HG3 ARG 71 - HB2 ARG 27 OK 12 100 - 12 - 65/4.1=1, 2930=1 HG3 ARG 71 - HB3 ARG 27 OK 12 100 - 12 - 65/4.1=1, 2930=1 HG3 ARG 71 - HB2 ARG 26 OK 12 51 - 23 - 2929/3.0=2, 2932/3.0=2...(8) HG2 PRO 34 - HB2 ARG 71 OK 11 99 - 12 - 1723/1.8=1 HG2 PRO 34 - HB3 ARG 71 OK 11 99 - 12 - 1723/1.8=1, 1723=1 HG3 ARG 71 - HB3 ARG 26 OK 11 49 - 23 - 2929/3.0=2, 2932/3.0=2...(8) HG3 ARG 71 - HB2 ARG 17 poor 9 52 - 17 - 1149/3.0=2, 2930=1...(5) HB2 LEU 57 - HB3 PRO 34 poor 7 42 - 18 - ~4603=2, ~4605=2...(9) HB2 PRO 34 - HB2 ARG 71 poor 7 63 - 12 - HB2 PRO 34 - HB3 ARG 71 poor 7 63 - 12 - HB3 ARG 17 - HB2 ARG 27 lone 7 99 - 7 - HB3 ARG 17 - HB3 ARG 27 lone 7 98 - 7 - HG3 ARG 26 - HB2 ARG 66 poor 5 55 - 10 - HG3 ARG 26 - HB2 ARG 17 lone 5 52 - 10 - 1149/3.0=1, 1394/2.9=1 HB2 LEU 62 - HB3 ARG 71 lone 5 100 - 5 - HB2 LEU 62 - HB2 ARG 71 lone 5 100 - 5 - HG3 ARG 71 - HB2 ARG 66 lone 5 55 - 9 - HB2 LYS 32 - HB2 ARG 71 lone 5 78 - 6 - HB3 LYS 32 - HB2 ARG 71 lone 5 78 - 6 - HB3 LYS 32 - HB3 ARG 71 lone 5 78 - 6 - HB2 LYS 32 - HB3 ARG 71 lone 5 78 - 6 - HG3 ARG 71 - HB3 ARG 23 lone 4 79 - 6 - HB3 LYS 32 - HB3 PRO 34 poor 5 33 - 14 - 1703/2.3=1 HB2 LYS 32 - HB3 PRO 34 poor 5 33 - 14 - 1703/2.3=1 HG3 ARG 71 - HB2 ARG 23 lone 4 79 - 6 - HG2 PRO 34 - HB2 ARG 27 lone 4 99 - 4 - HG2 PRO 34 - HB3 ARG 27 lone 4 98 - 4 - HG3 ARG 71 - HB3 PRO 34 lone 4 51 - 8 - HG2 PRO 34 - HB2 ARG 26 lone 4 49 - 8 - 1723/1.8=1 HG2 PRO 34 - HB3 ARG 26 lone 4 46 - 8 - 1723/1.8=1 HB2 ARG 54 - HB3 PRO 34 lone 3 43 - 7 - HB3 ARG 17 - HB2 ARG 26 lone 3 49 - 6 - HB3 ARG 82 - HB3 ARG 23 lone 3 69 - 4 - HB3 ARG 82 - HB2 ARG 23 lone 3 68 - 4 - HB3 ARG 17 - HB3 ARG 26 lone 3 46 - 6 - HG3 ARG 26 - HB3 PRO 34 lone 3 50 - 6 - HB3 LYS 73 - HB2 ARG 71 lone 3 68 - 4 - HB3 LYS 73 - HB3 ARG 71 lone 3 68 - 4 - HB2 LEU 62 - HB2 ARG 26 lone 3 50 - 6 - 4678/3.0=1 HB2 LEU 62 - HB3 ARG 26 lone 3 48 - 6 - 4678/3.0=1 HB2 PRO 34 - HB2 ARG 27 lone 3 63 - 4 - HB2 PRO 34 - HB3 ARG 27 lone 3 63 - 4 - HG3 ARG 26 - HB3 ARG 23 lone 2 79 - 3 - HG3 ARG 26 - HB2 ARG 23 lone 2 78 - 3 - HB3 ARG 17 - HB3 ARG 23 lone 2 76 - 3 - HB3 ARG 17 - HB2 ARG 23 lone 2 75 - 3 - HB2 PRO 34 - HB2 ARG 26 lone 2 26 - 9 - HB2 PRO 34 - HB3 ARG 26 lone 2 24 - 9 - HB2 ARG 84 - HB2 ARG 71 lone 2 71 - 3 - HB2 ARG 84 - HB3 ARG 71 lone 2 71 - 3 - HB2 LEU 62 - HB2 ARG 17 lone 1 51 - 3 - HB ILE 33 - HB3 ARG 71 lone 1 89 - 1 - HB ILE 33 - HB2 ARG 71 lone 1 89 - 1 - HB ILE 33 - HB3 ARG 27 lone 1 88 - 1 - HB ILE 33 - HB2 ARG 27 lone 1 88 - 1 - HB2 ARG 84 - HB2 ARG 17 lone 1 30 - 4 - HB3 ARG 82 - HB2 ARG 71 lone 1 93 - 1 - HB3 ARG 82 - HB3 ARG 71 lone 1 93 - 1 - HB2 LYS 32 - HB2 ARG 27 lone 1 78 - 1 - HB3 LYS 32 - HB2 ARG 27 lone 1 78 - 1 - HB2 LYS 32 - HB3 ARG 27 lone 1 78 - 1 - HB3 LYS 32 - HB3 ARG 27 lone 1 78 - 1 - HB2 ARG 54 - HB3 ARG 71 lone 1 93 - 1 - HB2 ARG 54 - HB2 ARG 71 lone 1 93 - 1 - HB2 LEU 62 - HB3 PRO 34 lone 1 50 - 2 - HB2 LEU 62 - HB3 ARG 27 lone 1 100 - 1 - HB2 LEU 62 - HB2 ARG 27 lone 1 100 - 1 - HB2 LEU 57 - HB3 ARG 71 lone 1 92 - 1 - HB3 ARG 82 - HB3 PRO 34 lone 1 43 - 2 - HB2 LEU 57 - HB2 ARG 71 lone 1 92 - 1 - HB2 LYS 32 - HB2 ARG 66 lone 1 36 - 3 - HB3 LYS 32 - HB2 ARG 66 lone 1 36 - 3 - HB2 LEU 57 - HB3 ARG 27 lone 1 92 - 1 - HB2 LEU 57 - HB2 ARG 27 lone 1 92 - 1 - HB2 LEU 43 - HB2 ARG 27 lone 1 65 - 1 - HB2 LEU 43 - HB3 ARG 27 lone 1 65 - 1 - HB ILE 33 - HB2 ARG 66 lone 1 43 - 2 - HG2 PRO 34 - HB3 ARG 23 lone 1 76 - 1 - HG2 PRO 34 - HB2 ARG 23 lone 1 75 - 1 - HG2 PRO 34 - HB2 ARG 66 lone 1 52 - 2 - HB2 ARG 84 - HB2 ARG 27 lone 1 71 - 1 - HB2 ARG 84 - HB3 ARG 27 lone 1 71 - 1 - HB2 LEU 43 - HB2 ARG 71 lone 1 65 - 1 - HB2 LEU 43 - HB3 ARG 71 lone 1 65 - 1 - HB2 ARG 54 - HB3 ARG 23 lone 1 69 - 1 - HB2 ARG 54 - HB2 ARG 23 lone 1 68 - 1 - HB2 LEU 57 - HB2 ARG 66 lone 1 46 - 2 - HB3 ARG 82 - HB2 ARG 27 lone 1 93 - 1 - HB3 ARG 82 - HB3 ARG 27 lone 1 93 - 1 - HB3 LYS 85 - HB2 ARG 71 lone 1 60 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 1 60 - 1 - HB2 LEU 62 - HB2 ARG 66 lone 1 54 - 1 - HB2 LEU 62 - HB3 ARG 23 lone 1 78 - 1 - HB3 LYS 32 - HB2 ARG 26 lone 1 34 - 2 - HB2 LYS 32 - HB2 ARG 26 lone 1 34 - 2 - HB2 LEU 62 - HB2 ARG 23 lone 1 77 - 1 - HB2 LYS 32 - HB3 ARG 26 lone 1 32 - 2 - HB3 LYS 32 - HB3 ARG 26 lone 1 32 - 2 - HB2 ARG 54 - HB3 ARG 27 lone 1 93 - 1 - HB2 ARG 54 - HB2 ARG 27 lone 1 93 - 1 - HB3 LYS 32 - HB2 ARG 17 lone 1 34 - 2 - HB2 LYS 32 - HB2 ARG 17 lone 1 34 - 2 - HB3 LYS 73 - HB2 ARG 27 lone 1 68 - 1 - HB3 LYS 73 - HB3 ARG 27 lone 1 68 - 1 - HB3 LYS 73 - HB2 ARG 17 lone 1 29 - 2 - HB ILE 33 - HB2 ARG 26 lone 1 40 - 1 - HB2 LEU 57 - HB2 ARG 26 lone 1 42 - 1 - HB ILE 33 - HB3 ARG 26 lone 1 38 - 1 - HB2 LEU 57 - HB3 ARG 26 lone 1 40 - 1 - HB2 ARG 84 - HB2 ARG 26 lone 1 30 - 2 - HB2 PRO 34 - HB3 ARG 23 lone 0 43 - 1 - HB3 LYS 73 - HB3 ARG 23 lone 0 47 - 1 - HB3 LYS 73 - HB2 ARG 23 lone 0 46 - 1 - HB2 PRO 34 - HB2 ARG 23 lone 0 42 - 1 - HB2 ARG 84 - HB3 ARG 26 lone 0 28 - 2 - HB2 LEU 43 - HB2 ARG 66 lone 0 29 - 2 - HB3 ARG 82 - HB2 ARG 17 lone 0 44 - 1 - HB2 PRO 34 - HB2 ARG 66 lone 0 28 - 2 - HB2 LEU 57 - HB3 ARG 23 lone 0 67 - 1 - HB2 LEU 57 - HB2 ARG 23 lone 0 67 - 1 - HB3 ARG 17 - HB2 ARG 66 lone 0 52 - 1 - HB3 LYS 85 - HB2 ARG 27 lone 0 60 - 1 - HB3 LYS 85 - HB3 ARG 27 lone 0 60 - 1 - HB2 ARG 54 - HB2 ARG 17 lone 0 44 - 1 - HB3 ARG 82 - HB2 ARG 66 lone 0 47 - 1 - HB ILE 33 - HB3 ARG 23 lone 0 64 - 1 - HG2 PRO 34 - HB2 ARG 17 lone 0 49 - 1 - HB ILE 33 - HB2 ARG 23 lone 0 63 - 1 - HB2 LEU 43 - HB2 ARG 26 lone 0 27 - 1 - HB3 LYS 73 - HB3 PRO 34 lone 0 28 - 1 - HB2 ARG 84 - HB3 PRO 34 lone 0 29 - 1 - HB2 LEU 43 - HB3 ARG 26 lone 0 26 - 1 - HB3 ARG 17 - HB3 PRO 34 lone 0 48 - 1 - HB2 LEU 43 - HB2 ARG 23 lone 0 44 - 1 - HB2 LEU 43 - HB3 ARG 23 lone 0 45 - 1 - HB2 ARG 84 - HB3 ARG 23 lone 0 49 - 1 - HB2 ARG 84 - HB2 ARG 23 lone 0 48 - 1 - HB2 ARG 54 - HB2 ARG 26 lone 0 43 - 1 - HB2 LYS 32 - HB3 ARG 23 lone 0 55 - 0 - HB3 LYS 32 - HB3 ARG 23 lone 0 55 - 0 - HB3 ARG 82 - HB2 ARG 26 lone 0 43 - 1 - HB2 LYS 32 - HB2 ARG 23 lone 0 54 - 0 - HB3 LYS 32 - HB2 ARG 23 lone 0 54 - 0 - HB3 LYS 85 - HB2 ARG 17 lone 0 25 - 1 - HB2 ARG 54 - HB3 ARG 26 lone 0 41 - 1 - HB3 LYS 73 - HB2 ARG 26 lone 0 28 - 1 - HB3 ARG 82 - HB3 ARG 26 lone 0 41 - 1 - HB ILE 33 - HB2 ARG 17 lone 0 41 - 1 - HB3 LYS 73 - HB3 ARG 26 lone 0 27 - 1 - HB2 LEU 57 - HB2 ARG 17 lone 0 43 - 1 - HB3 LYS 73 - HB2 ARG 66 lone 0 31 - 1 - HB2 ARG 54 - HB2 ARG 66 lone 0 47 - 0 - HB2 LEU 43 - HB2 ARG 17 lone 0 27 - 1 - HB3 LYS 85 - HB3 ARG 23 lone 0 41 - 0 - HB3 LYS 85 - HB2 ARG 23 lone 0 40 - 0 - HB2 ARG 84 - HB2 ARG 66 lone 0 32 - 0 - HB3 LYS 85 - HB2 ARG 26 lone 0 24 - 1 - HB2 PRO 34 - HB2 ARG 17 lone 0 26 - 0 - HB3 LYS 85 - HB3 ARG 26 lone 0 23 - 1 - HB3 LYS 85 - HB3 PRO 34 lone 0 24 - 0 - HB3 LYS 85 - HB2 ARG 66 lone 0 26 - 0 - HB2 LEU 43 - HB3 PRO 34 lone 0 27 - 0 - Peak 2910 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.65 A): 10 out of 121 assignments used, quality = 1.00: * HD2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 - 100 - 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 - 100 - 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 - 100 - 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 - 100 - 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 49 49 - 100 - 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 49 49 - 100 - 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 - 100 - 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 - 100 - 3.5=100 HD2 ARG 17 - HB2 ARG 17 OK 37 37 - 100 - 3.6=100 HD3 ARG 17 - HB2 ARG 17 OK 37 37 - 100 - 3.6=100 HD3 ARG 17 - HB2 ARG 71 OK 29 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD2 ARG 17 - HB2 ARG 71 OK 29 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD3 ARG 17 - HB3 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD2 ARG 17 - HB3 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD2 ARG 23 - HB2 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD3 ARG 23 - HB2 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD2 ARG 23 - HB3 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD3 ARG 23 - HB3 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD2 ARG 71 - HB2 ARG 26 OK 21 51 - 42 - ~2929=3, 3.0/2931=2...(16) HD2 ARG 71 - HB3 ARG 26 OK 20 49 - 42 - ~2929=3, 2937/3.0=2...(16) HD2 ARG 71 - HB2 ARG 27 OK 17 100 - 17 - 3.0/2930=2, ~2930=1, ~2931=1 HD2 ARG 71 - HB3 ARG 27 OK 17 100 - 17 - 3.0/2930=2, ~2930=1, ~2931=1 HD2 ARG 84 - HB2 ARG 71 OK 16 99 - 16 - 2934/2.8=2, ~2934=1 HD2 ARG 84 - HB3 ARG 71 OK 16 99 - 16 - 2934/2.8=2, ~2934=1 HD3 ARG 84 - HB2 ARG 71 OK 16 98 - 16 - 2934/2.8=2, ~2934=1 HD3 ARG 84 - HB3 ARG 71 OK 16 98 - 16 - 2934/2.8=2, ~2934=1 HD2 ARG 23 - HB2 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 23 - HB2 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD2 ARG 23 - HB3 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 23 - HB3 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 17 - HB2 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD2 ARG 17 - HB2 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD3 ARG 17 - HB3 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD2 ARG 17 - HB3 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD3 ARG 27 - HB2 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 27 - HB2 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD3 ARG 27 - HB3 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 27 - HB3 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 71 - HB2 ARG 17 OK 11 52 - 22 - 3.0/2930=3, ~1149=2...(7) HD2 ARG 71 - HB2 ARG 66 OK 11 55 - 20 - 3.0/2931=1, 5.8/777=1 HD2 ARG 84 - HB2 ARG 17 poor 7 50 - 14 - HD2 ARG 27 - HB3 ARG 23 poor 7 41 - 18 - ~1291=1, ~1290=1 HD3 ARG 27 - HB3 ARG 23 poor 7 41 - 18 - ~1291=1, ~1290=1 HD3 ARG 27 - HB2 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD2 ARG 27 - HB2 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD3 ARG 84 - HB2 ARG 17 poor 7 48 - 14 - HD3 ARG 17 - HB3 ARG 23 poor 6 59 - 10 - HD2 ARG 17 - HB3 ARG 23 poor 6 59 - 10 - HD2 ARG 17 - HB2 ARG 23 poor 6 58 - 10 - HD3 ARG 17 - HB2 ARG 23 poor 6 58 - 10 - HD2 ARG 17 - HB2 ARG 26 poor 6 36 - 16 - HD3 ARG 17 - HB2 ARG 26 poor 6 36 - 16 - HD2 ARG 71 - HB3 ARG 23 lone 6 79 - 7 - HD2 ARG 71 - HB2 ARG 23 lone 6 79 - 7 - HD2 ARG 17 - HB3 ARG 26 poor 6 35 - 17 - HD3 ARG 17 - HB3 ARG 26 poor 6 35 - 17 - HD3 ARG 27 - HB2 ARG 26 poor 6 24 - 23 - 6.3/62=1 HD2 ARG 27 - HB2 ARG 26 poor 6 24 - 23 - 6.3/62=1 HD2 ARG 71 - HB3 PRO 34 poor 5 51 - 11 - 3.0/2931=1 HD2 ARG 27 - HB3 ARG 26 poor 5 23 - 23 - 6.3/62=1 HD3 ARG 27 - HB3 ARG 26 poor 5 23 - 23 - 6.3/62=1 HD2 ARG 27 - HB2 ARG 17 poor 4 25 - 17 - HD3 ARG 27 - HB2 ARG 17 poor 4 25 - 17 - HD2 ARG 82 - HB3 ARG 23 lone 4 76 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 4 75 - 5 - HD2 ARG 23 - HB2 ARG 17 poor 4 30 - 12 - HD3 ARG 23 - HB2 ARG 17 poor 4 30 - 12 - HD2 ARG 84 - HB2 ARG 26 lone 3 49 - 7 - HD3 ARG 84 - HB2 ARG 26 lone 3 48 - 7 - HD2 ARG 84 - HB3 ARG 26 lone 3 47 - 7 - HD2 ARG 84 - HB2 ARG 27 lone 3 99 - 3 - HD2 ARG 84 - HB3 ARG 27 lone 3 99 - 3 - HD3 ARG 84 - HB3 ARG 26 lone 3 46 - 7 - HD3 ARG 84 - HB2 ARG 27 lone 3 98 - 3 - HD3 ARG 84 - HB3 ARG 27 lone 3 98 - 3 - HD2 ARG 23 - HB2 ARG 66 lone 3 32 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 3 32 - 8 - HD2 ARG 82 - HB2 ARG 71 lone 2 99 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 2 99 - 2 - HD2 ARG 23 - HB2 ARG 26 lone 2 30 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 2 30 - 8 - HD2 ARG 23 - HB3 ARG 26 lone 2 28 - 8 - HD3 ARG 23 - HB3 ARG 26 lone 2 28 - 8 - HD2 ARG 84 - HB3 ARG 23 lone 2 76 - 3 - HD2 ARG 84 - HB2 ARG 23 lone 2 76 - 3 - HB2 PHE 48 - HB3 PRO 34 lone 2 41 - 5 - ~4651=2, 4473/2.3=1 HD3 ARG 84 - HB3 ARG 23 lone 2 75 - 3 - HD3 ARG 84 - HB2 ARG 23 lone 2 74 - 3 - HD2 ARG 27 - HB2 ARG 66 lone 2 26 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 2 26 - 8 - HB2 PHE 48 - HB2 ARG 71 lone 2 90 - 2 - HB2 PHE 48 - HB3 ARG 71 lone 2 90 - 2 - HB2 PHE 48 - HB2 ARG 66 lone 2 44 - 4 - 4471/2.8=2 HD3 ARG 17 - HB2 ARG 66 lone 2 39 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 39 - 4 - HD2 ARG 82 - HB2 ARG 27 lone 2 99 - 2 - HD2 ARG 82 - HB3 ARG 27 lone 2 98 - 2 - HD2 ARG 82 - HB3 PRO 34 lone 1 48 - 2 - HD2 ARG 84 - HB3 PRO 34 lone 1 49 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 1 47 - 2 - HB2 PHE 48 - HB2 ARG 27 lone 1 90 - 1 - HB2 PHE 48 - HB3 ARG 27 lone 1 90 - 1 - HD2 ARG 82 - HB2 ARG 17 lone 1 49 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 53 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 1 51 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 49 - 1 - HB2 PHE 48 - HB3 ARG 23 lone 1 66 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 1 52 - 1 - HB2 PHE 48 - HB2 ARG 23 lone 1 65 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 46 - 1 - HB2 PHE 48 - HB2 ARG 17 lone 0 42 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 0 36 - 1 - HD2 ARG 17 - HB3 PRO 34 lone 0 36 - 1 - HD3 ARG 27 - HB3 PRO 34 lone 1 24 - 2 - HD2 ARG 27 - HB3 PRO 34 lone 1 24 - 2 - HD3 ARG 23 - HB3 PRO 34 lone 0 29 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 0 29 - 2 - HB2 PHE 48 - HB2 ARG 26 lone 0 41 - 1 - HB2 PHE 48 - HB3 ARG 26 lone 0 39 - 1 - Peak 2911 from cnoeabs.peaks (3.20, 1.85, 30.22 ppm; 3.63 A): 4 out of 77 assignments used, quality = 1.00: * HD3 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.5=100 HD3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 50 50 - 100 - 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 48 48 - 100 - 3.4=100 HD3 ARG 26 - HB2 ARG 71 OK 37 71 - 53 - 2935/2.8=3, ~1391=3...(16) HD3 ARG 26 - HB3 ARG 71 OK 37 71 - 53 - 2935/2.8=3, ~1391=3...(16) HD2 ARG 66 - HB2 ARG 71 OK 37 97 - 38 - 2935/2.8=3, ~5167=2...(15) HD2 ARG 66 - HB3 ARG 71 OK 37 97 - 38 - 2935/2.8=3, ~5167=2...(15) HD3 ARG 66 - HB2 ARG 71 OK 36 95 - 38 - 2935/2.8=3, ~5167=2...(15) HD3 ARG 66 - HB3 ARG 71 OK 36 94 - 38 - 2935/2.8=3, ~5167=2...(15) HD2 ARG 26 - HB2 ARG 71 OK 36 68 - 53 - 2935/2.8=3, ~1391=3...(16) HD2 ARG 26 - HB3 ARG 71 OK 36 68 - 53 - 2935/2.8=3, ~1391=3...(16) HD3 ARG 70 - HB2 ARG 66 OK 35 54 - 65 - ~2867=4, ~2866=4...(53) HD2 ARG 70 - HB2 ARG 66 OK 35 53 - 65 - ~2867=4, ~2866=4...(53) HD2 ARG 70 - HB2 ARG 71 OK 30 99 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD2 ARG 70 - HB3 ARG 71 OK 30 99 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD3 ARG 70 - HB2 ARG 71 OK 30 100 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD3 ARG 26 - HB2 ARG 26 OK 30 30 - 100 - 3.5=100 HD3 ARG 70 - HB3 ARG 71 OK 30 100 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD2 ARG 26 - HB2 ARG 26 OK 28 28 - 100 - 3.5=100 HD3 ARG 26 - HB3 ARG 26 OK 28 28 - 100 - 3.5=100 HD2 ARG 26 - HB3 ARG 26 OK 27 27 - 100 - 3.5=100 HD3 ARG 26 - HB2 ARG 27 OK 26 71 - 37 - 5382/4.1=1, ~1421=1...(10) HD3 ARG 26 - HB3 ARG 27 OK 26 71 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD2 ARG 26 - HB2 ARG 27 OK 25 68 - 37 - 5382/4.1=1, ~1421=1...(10) HD2 ARG 26 - HB3 ARG 27 OK 25 68 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD3 ARG 71 - HB2 ARG 27 OK 20 100 - 20 - 3.0/2930=2, ~2930=1, ~2931=1 HD3 ARG 71 - HB3 ARG 27 OK 20 100 - 20 - 3.0/2930=2, ~2930=1, ~2931=1 HD3 ARG 71 - HB2 ARG 26 OK 20 51 - 39 - ~2929=3, 3.0/2931=2...(13) HD2 ARG 66 - HB2 ARG 26 OK 19 46 - 42 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 71 - HB3 ARG 26 OK 19 49 - 39 - ~2929=3, 3.0/2931=2...(13) HD3 ARG 66 - HB2 ARG 26 OK 18 44 - 42 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB3 ARG 26 OK 18 44 - 42 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 66 - HB3 ARG 26 OK 18 42 - 42 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 71 - HB2 ARG 17 OK 15 52 - 29 - 3.0/2930=3, ~1149=2...(9) HD2 ARG 66 - HB2 ARG 27 OK 12 96 - 12 - HD2 ARG 66 - HB3 ARG 27 OK 12 96 - 12 - HD3 ARG 66 - HB2 ARG 27 OK 11 94 - 12 - HD3 ARG 66 - HB3 ARG 27 OK 11 94 - 12 - HD3 ARG 26 - HB2 ARG 66 OK 10 32 - 33 - 2712/2.8=2, 2704/2.8=2...(14) HD2 ARG 26 - HB2 ARG 66 OK 10 31 - 34 - 2712/2.8=2, 2704/2.8=2...(14) HD2 ARG 66 - HB3 ARG 23 poor 8 73 - 11 - HD2 ARG 66 - HB2 ARG 23 poor 8 72 - 11 - HD3 ARG 66 - HB3 ARG 23 poor 8 70 - 11 - HD3 ARG 66 - HB2 ARG 23 poor 8 70 - 11 - HD3 ARG 71 - HB3 ARG 23 lone 8 79 - 10 - HD3 ARG 71 - HB2 ARG 66 poor 8 55 - 14 - 3.0/2931=1, 2712/2.8=1 HD3 ARG 71 - HB2 ARG 23 lone 8 79 - 10 - HD3 ARG 26 - HB2 ARG 17 poor 7 30 - 23 - ~1149=1 HD2 ARG 26 - HB2 ARG 17 poor 6 29 - 23 - ~1149=1 HD2 ARG 70 - HB2 ARG 26 poor 6 50 - 12 - HD3 ARG 70 - HB2 ARG 26 poor 6 51 - 11 - HD3 ARG 71 - HB3 PRO 34 poor 6 51 - 11 - 3.0/2931=1 HD2 ARG 70 - HB3 ARG 26 poor 6 48 - 12 - HD3 ARG 70 - HB3 ARG 26 poor 6 48 - 11 - HD3 ARG 26 - HB3 ARG 23 poor 5 49 - 10 - HD3 ARG 26 - HB2 ARG 23 poor 5 48 - 10 - HD2 ARG 26 - HB3 ARG 23 poor 5 47 - 10 - HD2 ARG 26 - HB2 ARG 23 poor 5 46 - 10 - HD2 ARG 70 - HB2 ARG 27 lone 4 99 - 4 - HD2 ARG 70 - HB3 ARG 27 lone 4 99 - 4 - HD3 ARG 70 - HB2 ARG 27 lone 4 100 - 4 - HD3 ARG 70 - HB3 ARG 27 lone 4 100 - 4 - HD3 ARG 26 - HB3 PRO 34 poor 4 29 - 13 - HD2 ARG 26 - HB3 PRO 34 poor 4 28 - 13 - HD3 ARG 70 - HB2 ARG 17 lone 3 51 - 5 - HD2 ARG 70 - HB2 ARG 17 lone 3 50 - 5 - HD2 ARG 66 - HB2 ARG 17 lone 2 47 - 5 - HD3 ARG 66 - HB2 ARG 17 lone 2 45 - 4 - HD3 ARG 70 - HB3 ARG 23 lone 2 78 - 2 - HD3 ARG 70 - HB2 ARG 23 lone 2 78 - 2 - HD2 ARG 70 - HB3 ARG 23 lone 2 77 - 2 - HD2 ARG 66 - HB3 PRO 34 lone 2 46 - 3 - HD2 ARG 70 - HB2 ARG 23 lone 2 77 - 2 - HD3 ARG 66 - HB3 PRO 34 lone 1 44 - 3 - HD3 ARG 70 - HB3 PRO 34 lone 1 50 - 1 - HD2 ARG 70 - HB3 PRO 34 lone 1 49 - 1 - Peak 2912 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.75 A): 2 out of 55 assignments used, quality = 0.99: * H ARG 71 + HB3 ARG 71 OK 92 100 - 92 - 4.0=83, 2928/2.8=15...(15) H ARG 71 + HB2 ARG 71 OK 92 100 - 92 - 4.0=83, 2928/2.8=15...(15) H ARG 26 - HB2 ARG 26 OK 29 31 - 93 - 3.9=88, 5380/4.6=10...(15) H ARG 26 - HB3 ARG 26 OK 28 30 - 93 - 3.9=88, 5380/4.6=10...(15) H ARG 26 - HB2 ARG 27 OK 27 71 - 39 - 5380/4.1=12, 5345/3.0=8...(11) H ARG 26 - HB3 ARG 27 OK 27 71 - 39 - 5380/4.1=12, 5345/3.0=8...(11) H ARG 26 - HB2 ARG 71 OK 24 71 - 35 - 2928/2.8=6, ~2929=3...(14) H ARG 26 - HB3 ARG 71 OK 24 71 - 35 - 2928/2.8=6, ~2929=3...(14) H ARG 71 - HB2 ARG 66 OK 24 57 - 42 - 305/1.8=8, 307/2.8=6...(14) H ARG 71 - HB2 ARG 26 OK 22 54 - 42 - 775/3.0=6, 779/3.0=6...(15) H ARG 71 - HB3 ARG 26 OK 21 51 - 41 - 775/3.0=6, 779/3.0=6...(15) H ARG 71 - HB2 ARG 27 OK 21 100 - 21 - 5380/4.1=3, 777=3...(6) H ARG 71 - HB3 ARG 27 OK 21 100 - 21 - 5380/4.1=3, 776=3...(6) H LYS 75 - HB2 ARG 71 OK 17 92 - 18 - 5397/4.4=3, 803=3...(7) H LYS 75 - HB3 ARG 71 OK 17 92 - 18 - 5397/4.4=3, 803=3...(7) H LYS 85 - HB2 ARG 71 lone 10 100 - 10 - 5397/4.4=2, 2928/2.8=2 H LYS 85 - HB3 ARG 71 lone 10 100 - 10 - 5397/4.4=2, 2928/2.8=2 H ARG 71 - HB2 ARG 17 poor 8 51 - 15 - 779/1.8=3, 776=2...(5) H THR 88 - HB2 ARG 27 lone 7 71 - 10 - 873/3.0=3, 5380/4.1=3, ~3587=2 H THR 88 - HB3 ARG 27 lone 7 71 - 10 - 873/3.0=3, 5380/4.1=3, ~3587=2 H ARG 71 - HB3 ARG 23 lone 6 79 - 7 - H ARG 71 - HB2 ARG 23 lone 5 78 - 7 - H ARG 26 - HB2 ARG 66 poor 5 33 - 16 - ~5167=2, ~5165=2...(6) H LYS 75 - HB3 ARG 23 lone 5 67 - 8 - 803=1 H LYS 75 - HB2 ARG 23 lone 5 66 - 8 - 803=1 H LYS 75 - HB2 ARG 27 lone 5 92 - 5 - H LYS 75 - HB3 ARG 27 lone 5 92 - 5 - H ARG 71 - HB3 PRO 34 lone 4 52 - 7 - 779/2.3=1 H ARG 26 - HB3 ARG 23 lone 3 48 - 7 - 5345/3.0=2, 4.6/536=1 H ARG 26 - HB2 ARG 23 lone 3 48 - 7 - 5345/3.0=2, 4.6/536=1 H LYS 85 - HB2 ARG 27 lone 3 100 - 3 - H LYS 85 - HB3 ARG 27 lone 3 100 - 3 - H ARG 26 - HB2 ARG 17 lone 2 29 - 8 - 530/1.8=1 H LYS 85 - HB2 ARG 17 lone 2 51 - 4 - H THR 88 - HB2 ARG 71 lone 2 71 - 3 - H THR 88 - HB3 ARG 71 lone 2 71 - 3 - H THR 88 - HB2 ARG 26 lone 2 31 - 6 - 5380/4.6=2 H LYS 85 - HB3 ARG 23 lone 2 78 - 2 - H THR 88 - HB3 ARG 26 lone 2 30 - 5 - 5380/4.6=2 H LYS 85 - HB2 ARG 23 lone 2 78 - 2 - H LYS 75 - HB2 ARG 66 lone 2 47 - 3 - H LYS 85 - HB2 ARG 26 lone 1 54 - 3 - H THR 88 - HB3 ARG 23 lone 1 48 - 3 - 873/3.0=1 H THR 88 - HB2 ARG 23 lone 1 48 - 3 - 873/3.0=1 H LYS 85 - HB3 ARG 26 lone 1 51 - 3 - H LYS 85 - HB2 ARG 66 lone 1 57 - 2 - H THR 88 - HB2 ARG 17 lone 1 29 - 4 - H ARG 26 - HB3 PRO 34 lone 1 30 - 4 - H LYS 75 - HB2 ARG 17 lone 1 42 - 3 - H LYS 75 - HB2 ARG 26 lone 1 44 - 2 - H LYS 75 - HB3 ARG 26 lone 1 42 - 2 - H LYS 75 - HB3 PRO 34 lone 1 43 - 2 - H LYS 85 - HB3 PRO 34 lone 1 52 - 1 - H THR 88 - HB3 PRO 34 lone 1 30 - 2 - H THR 88 - HB2 ARG 66 lone 0 33 - 1 - Peak 2913 from cnoeabs.peaks (4.08, 1.85, 30.22 ppm; 3.25 A): 4 out of 55 assignments used, quality = 1.00: * HA ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.0=100 HA ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.0=100 HA ARG 26 + HB2 ARG 26 OK 51 51 - 100 - 3.0=100 HA ARG 26 + HB3 ARG 26 OK 49 49 - 100 - 3.0=100 HA ARG 26 - HB3 ARG 71 OK 36 99 - 37 - 2929/2.8=5, 775/4.0=4...(13) HA ARG 26 - HB2 ARG 71 OK 36 99 - 37 - 2929/2.8=5, 775/4.0=4...(13) HA ARG 26 - HB2 ARG 27 OK 28 99 - 29 - 3.6/536=5, ~5345=4...(12) HA ARG 26 - HB3 ARG 27 OK 28 99 - 29 - 3.6/536=5, ~5345=4...(12) HA ALA 63 - HB2 ARG 66 OK 21 48 - 44 - 4691/4.0=12, 4684/1.8=8...(11) HA ARG 71 - HB2 ARG 26 OK 21 54 - 39 - 1391/3.0=5, 61/4.6=2...(12) HA ARG 71 - HB2 ARG 66 OK 20 57 - 36 - 5036/4.0=3, 5372/1.8=3...(15) HA ARG 71 - HB3 ARG 26 OK 20 51 - 39 - 1391/3.0=5, 61/4.6=2...(13) HA ARG 71 - HB2 ARG 27 OK 19 100 - 19 - 61/4.1=3, 2.9/777=1...(5) HA ARG 71 - HB3 ARG 27 OK 19 100 - 19 - 61/4.1=3, 2.9/776=1...(5) HA GLU 25 - HB3 ARG 27 OK 18 94 - 19 - 61/4.1=3, 5347/4.3=3...(5) HA GLU 25 - HB2 ARG 27 OK 18 94 - 19 - 61/4.1=3, 5347/4.3=3...(6) HA ALA 63 - HB3 ARG 71 OK 16 93 - 17 - 2929/2.8=2, 775/4.0=2...(6) HA ALA 63 - HB2 ARG 71 OK 16 93 - 17 - 2929/2.8=2, 775/4.0=2...(6) HA GLU 25 - HB2 ARG 26 OK 14 47 - 30 - 55/3.9=6, 1391/3.0=3...(10) HA GLU 25 - HB3 ARG 71 OK 13 95 - 14 - 2929/2.8=2, 775/4.0=1 HA GLU 25 - HB2 ARG 71 OK 13 94 - 14 - 2929/2.8=2, 775/4.0=1 HA GLU 25 - HB3 ARG 26 OK 13 44 - 30 - 55/3.9=6, 1391/3.0=3...(10) HA ARG 26 - HB2 ARG 66 OK 13 55 - 24 - 5036/4.0=3, 5395/2.8=2...(7) HA ARG 71 - HB2 ARG 17 poor 9 51 - 18 - 3.8/2930=2, 2901/1.8=1 HA ARG 71 - HB3 PRO 34 poor 7 52 - 13 - HA ALA 63 - HB2 ARG 26 poor 6 45 - 14 - 5369/1.8=2, 5369=2...(5) HA ARG 71 - HB3 ARG 23 lone 6 79 - 8 - HA ARG 71 - HB2 ARG 23 lone 6 78 - 8 - HA ALA 63 - HB3 ARG 26 poor 6 43 - 14 - 5369/1.8=2, 5369=2...(5) HA VAL 90 - HB2 ARG 66 poor 6 57 - 10 - 5036/4.0=1, 3641/2.8=1 HA ALA 63 - HB3 ARG 27 lone 4 93 - 5 - HA ALA 63 - HB2 ARG 27 lone 4 93 - 5 - HA ARG 26 - HB3 ARG 23 lone 4 76 - 6 - 3.6/536=1 HA ARG 26 - HB2 ARG 23 lone 4 75 - 6 - 3.6/536=1 HA ARG 26 - HB3 PRO 34 lone 4 50 - 8 - HA ARG 26 - HB2 ARG 17 lone 4 49 - 8 - HA ALA 63 - HB2 ARG 17 lone 3 43 - 8 - 5783/4.0=2, 5783/4.3=1, ~4689=1 HA VAL 90 - HB3 ARG 71 lone 3 100 - 3 - HA VAL 90 - HB2 ARG 71 lone 3 100 - 3 - HA GLU 25 - HB3 ARG 23 lone 3 70 - 4 - HA GLU 25 - HB2 ARG 23 lone 3 69 - 4 - HA GLU 25 - HB2 ARG 66 lone 2 50 - 4 - HA VAL 90 - HB2 ARG 26 lone 2 54 - 4 - HA VAL 90 - HB3 ARG 26 lone 2 51 - 4 - HA ALA 63 - HB3 ARG 23 lone 2 68 - 3 - HA ALA 63 - HB2 ARG 23 lone 2 68 - 3 - HA VAL 90 - HB3 ARG 27 lone 1 100 - 1 - HA VAL 90 - HB2 ARG 27 lone 1 100 - 1 - HA GLU 25 - HB2 ARG 17 lone 1 44 - 2 - HA GLU 25 - HB3 PRO 34 lone 1 45 - 1 - HA ALA 63 - HB3 PRO 34 lone 0 44 - 1 - HA VAL 90 - HB3 ARG 23 lone 0 79 - 1 - HA VAL 90 - HB2 ARG 23 lone 0 78 - 1 - HA VAL 90 - HB2 ARG 17 lone 0 51 - 1 - HA VAL 90 - HB3 PRO 34 lone 0 52 - 1 - Peak 2914 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 6 out of 11 assignments used, quality = 1.00: HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 77 77 - 100 HB2 ARG 23 + HB2 ARG 23 OK 76 76 - 100 HB2 ARG 17 - HB2 ARG 17 OK 44 44 - 100 HB2 ARG 66 - HB2 ARG 66 OK 36 36 - 100 HB3 PRO 34 - HB3 PRO 34 OK 36 36 - 100 HB2 ARG 26 - HB2 ARG 26 OK 28 28 - 100 HB3 ARG 26 - HB3 ARG 26 OK 26 26 - 100 Reference assignment not found: HB2 ARG 71 - HB3 ARG 71 Peak 2915 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 6 out of 11 assignments used, quality = 1.00: * HB3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 HB2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 HB3 ARG 27 + HB3 ARG 27 OK 100 100 - 100 HB2 ARG 27 + HB2 ARG 27 OK 100 100 - 100 HB3 ARG 23 + HB3 ARG 23 OK 77 77 - 100 HB2 ARG 23 + HB2 ARG 23 OK 75 75 - 100 HB2 ARG 17 - HB2 ARG 17 OK 43 43 - 100 HB2 ARG 66 - HB2 ARG 66 OK 38 38 - 100 HB3 PRO 34 - HB3 PRO 34 OK 37 37 - 100 HB2 ARG 26 - HB2 ARG 26 OK 30 30 - 100 HB3 ARG 26 - HB3 ARG 26 OK 27 27 - 100 Peak 2916 from cnoeabs.peaks (1.62, 1.85, 30.22 ppm; 2.84 A): 10 out of 176 assignments used, quality = 1.00: * HG2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 92 95 - 97 - 2.9=94, 1439/3.0=4...(16) HG2 ARG 27 + HB2 ARG 27 OK 92 95 - 97 - 2.9=94, 1439/3.0=4...(16) HG3 ARG 27 + HB3 ARG 27 OK 91 94 - 97 - 2.9=94, 1439/3.0=4...(16) HG3 ARG 27 + HB2 ARG 27 OK 91 94 - 97 - 2.9=94, 1439/3.0=4...(16) HG2 ARG 26 + HB2 ARG 26 OK 49 53 - 92 - 3.0=88, 529/3.9=3...(10) HG3 ARG 17 + HB2 ARG 17 OK 48 51 - 94 - 2.9=90, 1181/1.8=5...(14) HG2 ARG 17 + HB2 ARG 17 OK 47 51 - 94 - 2.9=90, 1181/1.8=5...(14) HG2 ARG 26 + HB3 ARG 26 OK 47 51 - 92 - 3.0=88, 529/3.9=3...(10) HG2 ARG 26 - HB2 ARG 71 OK 33 100 - 33 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 26 - HB3 ARG 71 OK 33 100 - 33 - 2932/2.8=3, ~1391=2...(9) HG2 ARG 17 - HB2 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB2 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG2 ARG 17 - HB3 ARG 71 OK 26 100 - 27 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 17 - HB3 ARG 71 OK 26 100 - 26 - 2932/2.8=2, 2.9/1164=2...(4) HG3 ARG 70 - HB2 ARG 66 OK 23 55 - 43 - ~2867=3, ~2866=3...(19) HG2 ARG 26 - HB2 ARG 27 OK 22 100 - 22 - 64/4.1=2, 1418/3.0=2, 1.8/1392=1 HG2 ARG 26 - HB3 ARG 27 OK 22 100 - 22 - 64/4.1=2, 1418/3.0=2, 1.8/1392=1 HG2 ARG 71 - HB2 ARG 26 OK 19 54 - 36 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB3 ARG 26 OK 18 51 - 36 - 1394/3.0=3, ~2929=2...(10) HG2 ARG 71 - HB2 ARG 27 OK 17 100 - 17 - 1.8/2930=1, 64/4.1=1, 2923=1 HG2 ARG 71 - HB3 ARG 27 OK 17 100 - 17 - 1.8/2930=1, 64/4.1=1, 2923=1 HG3 ARG 70 - HB2 ARG 71 OK 16 99 - 16 - 5.0/777=2, 2932/2.8=1...(4) HG3 ARG 70 - HB3 ARG 71 OK 16 99 - 16 - 5.0/776=2, 2932/2.8=1...(4) HG2 ARG 27 - HB2 ARG 71 OK 15 96 - 16 - 2932/2.8=1 HG2 ARG 27 - HB3 ARG 71 OK 15 96 - 16 - 2932/2.8=1 HG3 ARG 27 - HB2 ARG 71 OK 15 94 - 16 - 2932/2.8=1 HG3 ARG 27 - HB3 ARG 71 OK 15 95 - 16 - 2932/2.8=1 HG2 ARG 17 - HB2 ARG 27 OK 13 100 - 13 - HG3 ARG 17 - HB2 ARG 27 OK 13 100 - 13 - HG2 ARG 17 - HB3 ARG 27 OK 13 100 - 13 - HG3 ARG 17 - HB3 ARG 27 OK 13 100 - 13 - HD3 LYS 32 - HB3 ARG 71 OK 13 99 - 13 - 2932/2.8=1 HD3 LYS 32 - HB2 ARG 71 OK 13 99 - 13 - 2932/2.8=1 HD2 LYS 32 - HB3 ARG 71 OK 13 98 - 13 - 2932/2.8=1 HD2 LYS 32 - HB2 ARG 71 OK 13 98 - 13 - 2932/2.8=1 HG2 ARG 71 - HB2 ARG 17 OK 10 51 - 21 - 1.8/2930=2, ~1149=1...(4) HG2 ARG 27 - HB2 ARG 26 poor 10 48 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG3 ARG 27 - HB2 ARG 26 poor 10 47 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 26 poor 9 45 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB3 ARG 23 poor 9 71 - 13 - HG3 ARG 27 - HB3 ARG 26 poor 9 44 - 21 - 537/4.6=2, 1394/3.0=2, 529/3.9=1 HG2 ARG 27 - HB2 ARG 23 poor 9 70 - 13 - HD2 LYS 73 - HB3 ARG 71 lone 9 98 - 9 - HD3 LYS 73 - HB3 ARG 71 lone 9 98 - 9 - HD2 LYS 73 - HB2 ARG 71 lone 9 98 - 9 - HD3 LYS 73 - HB2 ARG 71 lone 9 98 - 9 - HG3 ARG 27 - HB3 ARG 23 poor 9 70 - 13 - HG3 ARG 27 - HB2 ARG 23 poor 9 69 - 13 - HG2 ARG 26 - HB2 ARG 66 poor 9 57 - 16 - 1.8/1392=1 HG2 ARG 71 - HB2 ARG 66 poor 8 57 - 15 - 1.8/2931=1 HD3 LYS 32 - HB3 PRO 34 poor 8 50 - 15 - HG3 ARG 17 - HB2 ARG 26 poor 7 54 - 13 - 1394/3.0=1 HG2 ARG 17 - HB2 ARG 26 poor 7 54 - 13 - 1394/3.0=1 HD2 LYS 32 - HB3 PRO 34 poor 7 49 - 15 - HG2 ARG 71 - HB3 PRO 34 poor 7 52 - 13 - 1.8/2931=1 HG3 ARG 17 - HB3 ARG 26 poor 7 51 - 13 - 1394/3.0=1 HG2 ARG 17 - HB3 ARG 26 poor 7 51 - 13 - 1394/3.0=1 HG2 ARG 71 - HB3 ARG 23 lone 6 79 - 8 - HG2 ARG 71 - HB2 ARG 23 lone 6 78 - 8 - HG2 ARG 84 - HB2 ARG 71 lone 6 68 - 9 - HG3 ARG 84 - HB2 ARG 71 lone 6 68 - 9 - HG2 ARG 84 - HB3 ARG 71 lone 6 68 - 9 - HG3 ARG 84 - HB3 ARG 71 lone 6 68 - 9 - HG2 ARG 17 - HB3 ARG 23 lone 5 78 - 7 - HG3 ARG 17 - HB3 ARG 23 lone 5 79 - 7 - HG2 ARG 17 - HB2 ARG 23 lone 5 78 - 7 - HG3 ARG 17 - HB2 ARG 23 lone 5 78 - 7 - HG2 ARG 26 - HB2 ARG 17 poor 5 51 - 11 - HG2 ARG 27 - HB2 ARG 17 poor 5 45 - 11 - HG3 ARG 27 - HB2 ARG 17 poor 5 44 - 11 - HB2 LEU 86 - HB2 ARG 71 lone 5 100 - 4 - HB2 LEU 86 - HB3 ARG 71 lone 5 100 - 4 - HG2 ARG 26 - HB3 PRO 34 lone 4 52 - 8 - HG3 ARG 70 - HB2 ARG 26 lone 4 51 - 7 - HD3 LYS 32 - HB2 ARG 27 lone 4 99 - 4 - HD3 LYS 32 - HB3 ARG 27 lone 4 99 - 4 - HD2 LYS 32 - HB2 ARG 27 lone 3 98 - 4 - HG3 ARG 70 - HB3 ARG 26 lone 4 49 - 7 - HD2 LYS 32 - HB3 ARG 27 lone 3 98 - 4 - HG LEU 86 - HB2 ARG 71 lone 3 81 - 4 - HG LEU 86 - HB3 ARG 71 lone 3 81 - 4 - HG2 ARG 26 - HB3 ARG 23 lone 3 78 - 4 - HG2 ARG 26 - HB2 ARG 23 lone 3 78 - 4 - HB2 LEU 86 - HB3 PRO 34 lone 3 51 - 6 - HB2 LEU 86 - HB2 ARG 17 lone 3 50 - 7 - HB3 LEU 51 - HB3 PRO 34 lone 3 37 - 9 - ~4862=2, ~5566=1, ~5144=1 HG2 ARG 27 - HB2 ARG 66 lone 3 51 - 6 - HG3 ARG 27 - HB2 ARG 66 lone 3 50 - 6 - HG3 ARG 70 - HB2 ARG 27 lone 3 99 - 3 - HG3 ARG 70 - HB3 ARG 27 lone 3 99 - 3 - HD3 LYS 32 - HB2 ARG 26 lone 3 51 - 5 - HD2 LYS 32 - HB2 ARG 26 lone 3 50 - 5 - HD3 LYS 32 - HB3 ARG 26 lone 3 49 - 5 - HD2 LYS 32 - HB3 ARG 26 lone 2 48 - 5 - HB2 LEU 86 - HB2 ARG 26 lone 2 52 - 4 - HG3 ARG 84 - HB2 ARG 17 lone 2 28 - 8 - HG2 ARG 84 - HB2 ARG 17 lone 2 28 - 8 - HB2 LEU 86 - HB3 ARG 26 lone 2 50 - 4 - HB2 LEU 86 - HB2 ARG 27 lone 2 100 - 2 - HB2 LEU 86 - HB3 ARG 27 lone 2 100 - 2 - HG3 ARG 17 - HB2 ARG 66 lone 2 57 - 3 - HG2 ARG 17 - HB2 ARG 66 lone 2 57 - 3 - HD3 LYS 32 - HB2 ARG 66 lone 2 55 - 3 - HD2 LYS 32 - HB2 ARG 66 lone 2 53 - 3 - HG2 ARG 27 - HB3 PRO 34 lone 2 46 - 4 - HG3 ARG 27 - HB3 PRO 34 lone 2 45 - 4 - HG LEU 86 - HB2 ARG 17 lone 2 35 - 5 - HD2 LYS 73 - HB2 ARG 27 lone 2 98 - 2 - HD3 LYS 73 - HB2 ARG 27 lone 2 98 - 2 - HD3 LYS 73 - HB3 ARG 27 lone 2 98 - 2 - HD2 LYS 73 - HB3 ARG 27 lone 2 98 - 2 - HG LEU 86 - HB2 ARG 27 lone 2 80 - 2 - HG LEU 86 - HB3 ARG 27 lone 2 80 - 2 - HD3 LYS 73 - HB2 ARG 17 lone 2 47 - 3 - HD2 LYS 73 - HB2 ARG 17 lone 2 47 - 3 - HG LEU 86 - HB2 ARG 26 lone 2 37 - 4 - HD3 LYS 32 - HB2 ARG 17 lone 2 49 - 3 - HG LEU 86 - HB3 ARG 26 lone 1 35 - 4 - HD2 LYS 32 - HB2 ARG 17 lone 1 47 - 3 - HG2 ARG 84 - HB2 ARG 26 lone 1 30 - 5 - HG3 ARG 84 - HB2 ARG 26 lone 1 30 - 5 - HG3 ARG 84 - HB3 ARG 26 lone 1 28 - 5 - HG2 ARG 84 - HB3 ARG 26 lone 1 28 - 5 - HG3 ARG 70 - HB2 ARG 17 lone 1 49 - 3 - HD2 LYS 73 - HB2 ARG 26 lone 1 50 - 3 - HD3 LYS 73 - HB2 ARG 26 lone 1 50 - 3 - HB3 LEU 51 - HB3 ARG 71 lone 1 83 - 2 - HB3 LEU 51 - HB2 ARG 71 lone 1 83 - 2 - HG3 ARG 84 - HB2 ARG 27 lone 1 68 - 2 - HG2 ARG 84 - HB2 ARG 27 lone 1 68 - 2 - HG2 ARG 84 - HB3 ARG 27 lone 1 68 - 2 - HG3 ARG 84 - HB3 ARG 27 lone 1 68 - 2 - HD2 LYS 73 - HB3 ARG 23 lone 1 74 - 2 - HD3 LYS 73 - HB3 ARG 23 lone 1 74 - 2 - HD3 LYS 73 - HB3 ARG 26 lone 1 48 - 3 - HD2 LYS 73 - HB3 ARG 26 lone 1 48 - 3 - HD2 LYS 73 - HB2 ARG 23 lone 1 73 - 2 - HD3 LYS 73 - HB2 ARG 23 lone 1 73 - 2 - HD3 LYS 73 - HB3 PRO 34 lone 1 49 - 2 - HD2 LYS 73 - HB3 PRO 34 lone 1 49 - 2 - HB2 LEU 86 - HB3 ARG 23 lone 1 77 - 1 - HB2 LEU 86 - HB2 ARG 23 lone 1 76 - 1 - HD3 LYS 73 - HB2 ARG 66 lone 1 53 - 2 - HD2 LYS 73 - HB2 ARG 66 lone 1 53 - 2 - HB2 LEU 86 - HB2 ARG 66 lone 1 56 - 2 - HD3 LYS 32 - HB3 ARG 23 lone 1 76 - 1 - HB3 LEU 51 - HB3 ARG 27 lone 1 83 - 1 - HB3 LEU 51 - HB2 ARG 27 lone 1 83 - 1 - HD3 LYS 32 - HB2 ARG 23 lone 1 75 - 1 - HG LEU 86 - HB3 PRO 34 lone 1 36 - 2 - HG3 ARG 70 - HB3 ARG 23 lone 1 76 - 1 - HG3 ARG 70 - HB2 ARG 23 lone 1 75 - 1 - HD2 LYS 32 - HB3 ARG 23 lone 1 74 - 1 - HD2 LYS 32 - HB2 ARG 23 lone 1 73 - 1 - HG LEU 86 - HB3 ARG 23 lone 1 56 - 1 - HG LEU 86 - HB2 ARG 23 lone 1 56 - 1 - HG LEU 86 - HB2 ARG 66 lone 1 39 - 2 - HG2 ARG 84 - HB3 ARG 23 lone 1 46 - 1 - HG3 ARG 84 - HB3 ARG 23 lone 1 46 - 1 - HG2 ARG 84 - HB2 ARG 23 lone 1 46 - 1 - HG3 ARG 84 - HB2 ARG 23 lone 1 46 - 1 - HG2 ARG 84 - HB3 PRO 34 lone 1 29 - 2 - HG3 ARG 84 - HB3 PRO 34 lone 1 29 - 2 - HG3 ARG 17 - HB3 PRO 34 lone 1 52 - 1 - HB3 LEU 51 - HB3 ARG 23 lone 1 58 - 1 - HG2 ARG 17 - HB3 PRO 34 lone 1 52 - 1 - HB3 LEU 51 - HB2 ARG 23 lone 1 58 - 1 - HB3 LEU 51 - HB2 ARG 26 lone 0 38 - 1 - HB3 LEU 51 - HB3 ARG 26 lone 0 36 - 1 - HB3 LEU 51 - HB2 ARG 66 lone 0 41 - 1 - HG3 ARG 70 - HB3 PRO 34 lone 0 50 - 1 - HB3 LEU 51 - HB2 ARG 17 lone 0 36 - 1 - HG2 ARG 84 - HB2 ARG 66 lone 0 32 - 1 - HG3 ARG 84 - HB2 ARG 66 lone 0 32 - 1 - Peak 2917 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 4 out of 176 assignments used, quality = 0.98: HG3 ARG 71 + HB2 ARG 71 OK 71 100 - 71 - 2.8=63, 2928/4.0=4...(7) * HG3 ARG 71 + HB3 ARG 71 OK 71 100 - 71 - 2.8=63, 2928/4.0=4...(7) HG2 PRO 34 + HB3 PRO 34 OK 50 50 - 100 - 2.3=100 HB3 ARG 17 + HB2 ARG 17 OK 48 48 - 100 - 1.8=100 HG3 ARG 26 - HB2 ARG 26 OK 34 53 - 64 - 3.0=53, 1390/3.9=4...(5) HG3 ARG 26 - HB3 ARG 26 OK 32 51 - 64 - 3.0=53, 1390/3.9=4...(5) HB2 PRO 34 - HB3 PRO 34 OK 26 26 - 100 - 1.8=100 HG3 ARG 26 - HB2 ARG 71 OK 24 100 - 25 - 1394/2.8=2, 1391/3.0=2...(5) HG3 ARG 26 - HB3 ARG 71 OK 24 100 - 25 - 1394/2.8=2, 1391/3.0=2...(5) HB ILE 33 - HB3 PRO 34 OK 18 41 - 43 - ~4215=4, ~4214=4...(23) HG3 ARG 26 - HB2 ARG 27 OK 17 100 - 18 - 65/4.1=2, 1394/2.9=1...(4) HG3 ARG 26 - HB3 ARG 27 OK 17 100 - 18 - 65/4.1=2, 1394/2.9=1...(4) HB3 ARG 17 - HB2 ARG 71 OK 13 99 - 14 - 3.0/1148=1 HB3 ARG 17 - HB3 ARG 71 OK 13 99 - 14 - 3.0/1148=1 HG3 ARG 71 - HB2 ARG 26 OK 12 54 - 23 - 2929/3.0=2, 2932/3.0=2...(8) HG3 ARG 71 - HB2 ARG 27 OK 12 100 - 12 - 65/4.1=1, 2930=1 HG3 ARG 71 - HB3 ARG 27 OK 12 100 - 12 - 65/4.1=1, 2930=1 HG3 ARG 71 - HB3 ARG 26 OK 12 51 - 23 - 2929/3.0=2, 2932/3.0=2...(8) HG2 PRO 34 - HB2 ARG 71 OK 11 99 - 12 - 1723/1.8=1, 1723=1 HG2 PRO 34 - HB3 ARG 71 OK 11 99 - 12 - 1723/1.8=1, 1723=1 HG3 ARG 71 - HB2 ARG 17 poor 9 51 - 17 - 1149/3.0=2, 2930=1...(5) HB2 LEU 57 - HB3 PRO 34 poor 8 43 - 18 - ~4603=2, ~4605=2...(9) HB2 PRO 34 - HB2 ARG 71 poor 7 63 - 12 - HB2 PRO 34 - HB3 ARG 71 poor 7 63 - 12 - HB3 ARG 17 - HB2 ARG 27 lone 7 98 - 7 - HB3 ARG 17 - HB3 ARG 27 lone 7 99 - 7 - HG3 ARG 26 - HB2 ARG 66 poor 6 57 - 10 - 1392=1 HG3 ARG 71 - HB2 ARG 66 lone 5 57 - 9 - HG3 ARG 26 - HB2 ARG 17 lone 5 50 - 10 - 1149/3.0=1, 1394/2.9=1 HB2 LEU 62 - HB3 ARG 71 lone 5 100 - 5 - HB2 LEU 62 - HB2 ARG 71 lone 5 100 - 5 - HB2 LYS 32 - HB3 PRO 34 poor 5 35 - 14 - 1703/2.3=1 HB3 LYS 32 - HB3 PRO 34 poor 5 35 - 14 - 1703/2.3=1 HB3 LYS 32 - HB3 ARG 71 lone 5 78 - 6 - HB2 LYS 32 - HB3 ARG 71 lone 5 78 - 6 - HB3 LYS 32 - HB2 ARG 71 lone 5 78 - 6 - HB2 LYS 32 - HB2 ARG 71 lone 5 78 - 6 - HG3 ARG 71 - HB3 ARG 23 lone 4 79 - 6 - HG3 ARG 71 - HB2 ARG 23 lone 4 78 - 6 - HG2 PRO 34 - HB2 ARG 27 lone 4 98 - 4 - HG2 PRO 34 - HB3 ARG 27 lone 4 99 - 4 - HG3 ARG 71 - HB3 PRO 34 lone 4 52 - 8 - HG2 PRO 34 - HB2 ARG 26 lone 4 51 - 8 - 1723/1.8=1 HG2 PRO 34 - HB3 ARG 26 lone 4 49 - 8 - 1723/1.8=1 HB2 ARG 54 - HB3 PRO 34 lone 3 44 - 7 - HB3 ARG 17 - HB2 ARG 26 lone 3 51 - 6 - HB3 ARG 17 - HB3 ARG 26 lone 3 49 - 6 - HG3 ARG 26 - HB3 PRO 34 lone 3 52 - 6 - HB2 LEU 62 - HB2 ARG 26 lone 3 52 - 6 - 4678/3.0=1 HB3 ARG 82 - HB3 ARG 23 lone 3 68 - 4 - HB3 ARG 82 - HB2 ARG 23 lone 3 68 - 4 - HB3 LYS 73 - HB3 ARG 71 lone 3 68 - 4 - HB3 LYS 73 - HB2 ARG 71 lone 3 68 - 4 - HB2 LEU 62 - HB3 ARG 26 lone 3 50 - 6 - 4678/3.0=1 HB2 PRO 34 - HB2 ARG 27 lone 3 63 - 4 - HB2 PRO 34 - HB3 ARG 27 lone 3 63 - 4 - HG3 ARG 26 - HB3 ARG 23 lone 2 78 - 3 - HG3 ARG 26 - HB2 ARG 23 lone 2 77 - 3 - HB3 ARG 17 - HB3 ARG 23 lone 2 75 - 3 - HB3 ARG 17 - HB2 ARG 23 lone 2 74 - 3 - HB2 PRO 34 - HB2 ARG 26 lone 2 27 - 9 - HB2 PRO 34 - HB3 ARG 26 lone 2 26 - 9 - HB2 ARG 84 - HB2 ARG 71 lone 2 71 - 3 - HB2 ARG 84 - HB3 ARG 71 lone 2 71 - 3 - HB2 LEU 62 - HB2 ARG 17 lone 1 50 - 3 - HB ILE 33 - HB3 ARG 71 lone 1 89 - 1 - HB ILE 33 - HB2 ARG 71 lone 1 89 - 1 - HB ILE 33 - HB3 ARG 27 lone 1 88 - 1 - HB ILE 33 - HB2 ARG 27 lone 1 88 - 1 - HB3 ARG 82 - HB3 ARG 71 lone 1 93 - 1 - HB3 ARG 82 - HB2 ARG 71 lone 1 93 - 1 - HB2 LYS 32 - HB2 ARG 27 lone 1 78 - 1 - HB3 LYS 32 - HB2 ARG 27 lone 1 78 - 1 - HB3 LYS 32 - HB3 ARG 27 lone 1 78 - 1 - HB2 LYS 32 - HB3 ARG 27 lone 1 78 - 1 - HB2 ARG 84 - HB2 ARG 17 lone 1 29 - 4 - HB2 ARG 54 - HB3 ARG 71 lone 1 93 - 1 - HB2 LEU 62 - HB3 PRO 34 lone 1 51 - 2 - HB2 ARG 54 - HB2 ARG 71 lone 1 93 - 1 - HB2 LEU 62 - HB3 ARG 27 lone 1 100 - 1 - HB2 LEU 62 - HB2 ARG 27 lone 1 100 - 1 - HB3 ARG 82 - HB3 PRO 34 lone 1 44 - 2 - HB3 LYS 32 - HB2 ARG 66 lone 1 38 - 3 - HB2 LYS 32 - HB2 ARG 66 lone 1 38 - 3 - HB2 LEU 57 - HB3 ARG 71 lone 1 92 - 1 - HB2 LEU 57 - HB2 ARG 71 lone 1 92 - 1 - HB2 LEU 57 - HB3 ARG 27 lone 1 92 - 1 - HB2 LEU 57 - HB2 ARG 27 lone 1 92 - 1 - HB2 LEU 43 - HB2 ARG 27 lone 1 65 - 1 - HB ILE 33 - HB2 ARG 66 lone 1 45 - 2 - HB2 LEU 43 - HB3 ARG 27 lone 1 65 - 1 - HG2 PRO 34 - HB3 ARG 23 lone 1 75 - 1 - HG2 PRO 34 - HB2 ARG 66 lone 1 54 - 2 - HG2 PRO 34 - HB2 ARG 23 lone 1 74 - 1 - HB2 LEU 57 - HB2 ARG 66 lone 1 47 - 2 - HB2 ARG 84 - HB2 ARG 27 lone 1 71 - 1 - HB2 ARG 84 - HB3 ARG 27 lone 1 71 - 1 - HB2 ARG 54 - HB3 ARG 23 lone 1 68 - 1 - HB2 LEU 43 - HB3 ARG 71 lone 1 65 - 1 - HB2 LEU 43 - HB2 ARG 71 lone 1 65 - 1 - HB2 ARG 54 - HB2 ARG 23 lone 1 68 - 1 - HB3 ARG 82 - HB2 ARG 27 lone 1 93 - 1 - HB3 ARG 82 - HB3 ARG 27 lone 1 93 - 1 - HB3 LYS 85 - HB2 ARG 71 lone 1 60 - 1 - HB3 LYS 85 - HB3 ARG 71 lone 1 60 - 1 - HB2 LEU 62 - HB2 ARG 66 lone 1 56 - 1 - HB2 LYS 32 - HB2 ARG 26 lone 1 35 - 2 - HB3 LYS 32 - HB2 ARG 26 lone 1 35 - 2 - HB2 LEU 62 - HB3 ARG 23 lone 1 77 - 1 - HB2 LYS 32 - HB3 ARG 26 lone 1 34 - 2 - HB3 LYS 32 - HB3 ARG 26 lone 1 34 - 2 - HB2 LEU 62 - HB2 ARG 23 lone 1 76 - 1 - HB2 ARG 54 - HB3 ARG 27 lone 1 93 - 1 - HB2 ARG 54 - HB2 ARG 27 lone 1 93 - 1 - HB2 LYS 32 - HB2 ARG 17 lone 1 33 - 2 - HB3 LYS 32 - HB2 ARG 17 lone 1 33 - 2 - HB3 LYS 73 - HB2 ARG 27 lone 1 68 - 1 - HB3 LYS 73 - HB3 ARG 27 lone 1 68 - 1 - HB ILE 33 - HB2 ARG 26 lone 1 42 - 1 - HB2 LEU 57 - HB2 ARG 26 lone 1 44 - 1 - HB ILE 33 - HB3 ARG 26 lone 1 40 - 1 - HB3 LYS 73 - HB2 ARG 17 lone 1 28 - 2 - HB2 LEU 57 - HB3 ARG 26 lone 1 42 - 1 - HB2 ARG 84 - HB2 ARG 26 lone 1 31 - 2 - HB2 LEU 43 - HB2 ARG 66 lone 1 30 - 2 - HB2 ARG 84 - HB3 ARG 26 lone 1 30 - 2 - HB2 PRO 34 - HB3 ARG 23 lone 0 42 - 1 - HB2 PRO 34 - HB2 ARG 23 lone 0 42 - 1 - HB3 LYS 73 - HB3 ARG 23 lone 0 46 - 1 - HB3 LYS 73 - HB2 ARG 23 lone 0 46 - 1 - HB2 PRO 34 - HB2 ARG 66 lone 0 29 - 2 - HB3 ARG 82 - HB2 ARG 17 lone 0 43 - 1 - HB3 ARG 17 - HB2 ARG 66 lone 0 54 - 1 - HB2 LEU 57 - HB3 ARG 23 lone 0 67 - 1 - HB2 LEU 57 - HB2 ARG 23 lone 0 66 - 1 - HB3 LYS 85 - HB3 ARG 27 lone 0 60 - 1 - HB3 ARG 82 - HB2 ARG 66 lone 0 48 - 1 - HB3 LYS 85 - HB2 ARG 27 lone 0 60 - 1 - HB2 ARG 54 - HB2 ARG 17 lone 0 43 - 1 - HB2 LEU 43 - HB2 ARG 26 lone 0 28 - 1 - HB ILE 33 - HB3 ARG 23 lone 0 63 - 1 - HB ILE 33 - HB2 ARG 23 lone 0 63 - 1 - HB3 LYS 73 - HB3 PRO 34 lone 0 29 - 1 - HB2 LEU 43 - HB3 ARG 26 lone 0 27 - 1 - HG2 PRO 34 - HB2 ARG 17 lone 0 48 - 1 - HB2 ARG 84 - HB3 PRO 34 lone 0 30 - 1 - HB3 ARG 17 - HB3 PRO 34 lone 0 50 - 1 - HB2 LEU 43 - HB3 ARG 23 lone 0 44 - 1 - HB2 LEU 43 - HB2 ARG 23 lone 0 44 - 1 - HB2 ARG 84 - HB3 ARG 23 lone 0 48 - 1 - HB2 ARG 54 - HB2 ARG 26 lone 0 45 - 1 - HB2 ARG 84 - HB2 ARG 23 lone 0 48 - 1 - HB3 ARG 82 - HB2 ARG 26 lone 0 45 - 1 - HB2 ARG 54 - HB3 ARG 26 lone 0 43 - 1 - HB3 LYS 73 - HB2 ARG 26 lone 0 30 - 1 - HB3 ARG 82 - HB3 ARG 26 lone 0 43 - 1 - HB2 LYS 32 - HB3 ARG 23 lone 0 54 - 0 - HB3 LYS 32 - HB3 ARG 23 lone 0 54 - 0 - HB2 LYS 32 - HB2 ARG 23 lone 0 54 - 0 - HB3 LYS 32 - HB2 ARG 23 lone 0 54 - 0 - HB3 LYS 85 - HB2 ARG 17 lone 0 24 - 1 - HB3 LYS 73 - HB3 ARG 26 lone 0 28 - 1 - HB3 LYS 73 - HB2 ARG 66 lone 0 32 - 1 - HB ILE 33 - HB2 ARG 17 lone 0 40 - 1 - HB2 LEU 57 - HB2 ARG 17 lone 0 42 - 1 - HB2 ARG 54 - HB2 ARG 66 lone 0 48 - 0 - HB2 LEU 43 - HB2 ARG 17 lone 0 27 - 1 - HB3 LYS 85 - HB3 ARG 23 lone 0 40 - 0 - HB3 LYS 85 - HB2 ARG 23 lone 0 40 - 0 - HB2 ARG 84 - HB2 ARG 66 lone 0 33 - 0 - HB3 LYS 85 - HB2 ARG 26 lone 0 26 - 1 - HB3 LYS 85 - HB3 ARG 26 lone 0 24 - 1 - HB3 LYS 85 - HB3 PRO 34 lone 0 25 - 0 - HB2 PRO 34 - HB2 ARG 17 lone 0 25 - 0 - HB3 LYS 85 - HB2 ARG 66 lone 0 27 - 0 - HB2 LEU 43 - HB3 PRO 34 lone 0 28 - 0 - Peak 2918 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.65 A): 10 out of 121 assignments used, quality = 1.00: * HD2 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 60 60 - 100 - 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 60 60 - 100 - 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 60 60 - 100 - 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 60 60 - 100 - 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 48 48 - 100 - 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 48 48 - 100 - 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 48 48 - 100 - 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 48 48 - 100 - 3.5=100 HD2 ARG 17 - HB2 ARG 17 OK 36 36 - 100 - 3.6=100 HD3 ARG 17 - HB2 ARG 17 OK 36 36 - 100 - 3.6=100 HD2 ARG 17 - HB2 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD3 ARG 17 - HB2 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD3 ARG 17 - HB3 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD2 ARG 17 - HB3 ARG 71 OK 28 83 - 35 - 2934/2.8=3, ~2934=2...(9) HD3 ARG 23 - HB3 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD2 ARG 23 - HB3 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD2 ARG 23 - HB2 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD3 ARG 23 - HB2 ARG 27 OK 24 71 - 34 - 2.9/1287=3, ~1285=3...(8) HD2 ARG 71 - HB2 ARG 26 OK 22 54 - 42 - ~2929=3, 3.0/2931=2...(16) HD2 ARG 71 - HB3 ARG 26 OK 21 51 - 42 - ~2929=3, 2937/3.0=2...(16) HD2 ARG 71 - HB2 ARG 27 OK 17 100 - 17 - 3.0/2930=2, ~2930=1, ~2931=1 HD2 ARG 71 - HB3 ARG 27 OK 17 100 - 17 - 3.0/2930=2, ~2930=1, ~2931=1 HD2 ARG 84 - HB2 ARG 71 OK 16 99 - 16 - 2934/2.8=2, ~2934=1 HD2 ARG 84 - HB3 ARG 71 OK 16 99 - 16 - 2934/2.8=2, ~2934=1 HD3 ARG 84 - HB2 ARG 71 OK 16 98 - 16 - 2934/2.8=2, ~2934=1 HD3 ARG 84 - HB3 ARG 71 OK 16 98 - 16 - 2934/2.8=2, ~2934=1 HD2 ARG 23 - HB3 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 23 - HB3 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD2 ARG 23 - HB2 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 23 - HB2 ARG 71 OK 14 71 - 19 - 2.9/1287=1, 2934/2.8=1 HD3 ARG 17 - HB2 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD2 ARG 17 - HB2 ARG 27 OK 14 83 - 17 - 3.6/1164=1 HD2 ARG 17 - HB3 ARG 27 OK 14 83 - 16 - 3.6/1164=1 HD3 ARG 17 - HB3 ARG 27 OK 14 83 - 16 - 3.6/1164=1 HD3 ARG 27 - HB2 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 27 - HB2 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD3 ARG 27 - HB3 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 27 - HB3 ARG 71 OK 13 60 - 22 - 2934/2.8=1 HD2 ARG 71 - HB2 ARG 66 OK 11 57 - 20 - 3.0/2931=1, 5.8/777=1 HD2 ARG 71 - HB2 ARG 17 OK 11 51 - 22 - 3.0/2930=3, ~1149=2...(7) HD3 ARG 27 - HB3 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD2 ARG 27 - HB3 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD3 ARG 27 - HB2 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD2 ARG 27 - HB2 ARG 23 poor 7 40 - 18 - ~1291=1, ~1290=1 HD2 ARG 84 - HB2 ARG 17 poor 7 49 - 14 - HD3 ARG 84 - HB2 ARG 17 poor 7 47 - 14 - HD2 ARG 17 - HB2 ARG 26 poor 6 38 - 17 - HD3 ARG 17 - HB2 ARG 26 poor 6 38 - 17 - HD3 ARG 17 - HB3 ARG 23 poor 6 58 - 10 - HD2 ARG 17 - HB3 ARG 23 poor 6 58 - 10 - HD3 ARG 17 - HB3 ARG 26 poor 6 36 - 17 - HD2 ARG 17 - HB3 ARG 26 poor 6 36 - 17 - HD2 ARG 17 - HB2 ARG 23 poor 6 58 - 10 - HD3 ARG 17 - HB2 ARG 23 poor 6 58 - 10 - HD3 ARG 27 - HB2 ARG 26 poor 6 26 - 23 - 6.3/62=2 HD2 ARG 27 - HB2 ARG 26 poor 6 26 - 23 - 6.3/62=2 HD2 ARG 71 - HB3 ARG 23 lone 6 79 - 7 - HD2 ARG 71 - HB3 PRO 34 poor 6 52 - 11 - 3.0/2931=1 HD2 ARG 71 - HB2 ARG 23 lone 6 78 - 7 - HD3 ARG 27 - HB3 ARG 26 poor 6 24 - 23 - 6.3/62=2 HD2 ARG 27 - HB3 ARG 26 poor 6 24 - 23 - 6.3/62=2 HD2 ARG 82 - HB3 ARG 23 lone 4 75 - 5 - HD2 ARG 82 - HB2 ARG 23 lone 4 74 - 5 - HD2 ARG 27 - HB2 ARG 17 poor 4 24 - 17 - HD3 ARG 27 - HB2 ARG 17 poor 4 24 - 17 - HD3 ARG 23 - HB2 ARG 17 poor 4 29 - 12 - HD2 ARG 23 - HB2 ARG 17 poor 4 29 - 12 - HD2 ARG 84 - HB2 ARG 26 lone 4 51 - 7 - HD3 ARG 84 - HB2 ARG 26 lone 3 50 - 7 - HD2 ARG 84 - HB3 ARG 26 lone 3 49 - 7 - HD3 ARG 84 - HB3 ARG 26 lone 3 48 - 7 - HD2 ARG 84 - HB2 ARG 27 lone 3 99 - 3 - HD2 ARG 84 - HB3 ARG 27 lone 3 99 - 3 - HD3 ARG 84 - HB2 ARG 27 lone 3 98 - 3 - HD3 ARG 84 - HB3 ARG 27 lone 3 98 - 3 - HD2 ARG 23 - HB2 ARG 66 lone 3 33 - 8 - HD3 ARG 23 - HB2 ARG 66 lone 3 33 - 8 - HD2 ARG 23 - HB2 ARG 26 lone 3 31 - 8 - HD3 ARG 23 - HB2 ARG 26 lone 3 31 - 8 - HD2 ARG 82 - HB2 ARG 71 lone 2 99 - 2 - HD2 ARG 82 - HB3 ARG 71 lone 2 99 - 2 - HD2 ARG 23 - HB3 ARG 26 lone 2 30 - 8 - HD3 ARG 23 - HB3 ARG 26 lone 2 30 - 8 - HB2 PHE 48 - HB3 PRO 34 lone 2 42 - 5 - ~4651=2, 4473/2.3=1 HD2 ARG 84 - HB3 ARG 23 lone 2 76 - 3 - HD2 ARG 27 - HB2 ARG 66 lone 2 27 - 8 - HD3 ARG 27 - HB2 ARG 66 lone 2 27 - 8 - HD2 ARG 84 - HB2 ARG 23 lone 2 75 - 3 - HD3 ARG 84 - HB3 ARG 23 lone 2 74 - 3 - HD3 ARG 84 - HB2 ARG 23 lone 2 73 - 3 - HB2 PHE 48 - HB2 ARG 66 lone 2 46 - 4 - 4471/2.8=2 HB2 PHE 48 - HB2 ARG 71 lone 2 90 - 2 - HB2 PHE 48 - HB3 ARG 71 lone 2 90 - 2 - HD3 ARG 17 - HB2 ARG 66 lone 2 41 - 4 - HD2 ARG 17 - HB2 ARG 66 lone 2 41 - 4 - HD2 ARG 82 - HB2 ARG 27 lone 2 98 - 2 - HD2 ARG 82 - HB3 ARG 27 lone 2 99 - 2 - HD2 ARG 82 - HB3 PRO 34 lone 1 50 - 2 - HD2 ARG 84 - HB3 PRO 34 lone 1 50 - 2 - HD3 ARG 84 - HB3 PRO 34 lone 1 49 - 2 - HB2 PHE 48 - HB2 ARG 27 lone 1 90 - 1 - HB2 PHE 48 - HB3 ARG 27 lone 1 90 - 1 - HD2 ARG 82 - HB2 ARG 17 lone 1 48 - 2 - HD2 ARG 84 - HB2 ARG 66 lone 1 55 - 1 - HD3 ARG 84 - HB2 ARG 66 lone 1 53 - 1 - HD2 ARG 82 - HB2 ARG 26 lone 1 51 - 1 - HD2 ARG 82 - HB2 ARG 66 lone 1 54 - 1 - HD2 ARG 82 - HB3 ARG 26 lone 1 49 - 1 - HB2 PHE 48 - HB3 ARG 23 lone 1 65 - 1 - HB2 PHE 48 - HB2 ARG 23 lone 1 64 - 1 - HD2 ARG 27 - HB3 PRO 34 lone 1 25 - 2 - HD3 ARG 27 - HB3 PRO 34 lone 1 25 - 2 - HD2 ARG 17 - HB3 PRO 34 lone 1 37 - 1 - HD3 ARG 17 - HB3 PRO 34 lone 1 37 - 1 - HD3 ARG 23 - HB3 PRO 34 lone 1 30 - 2 - HD2 ARG 23 - HB3 PRO 34 lone 1 30 - 2 - HB2 PHE 48 - HB2 ARG 17 lone 0 41 - 1 - HB2 PHE 48 - HB2 ARG 26 lone 0 43 - 1 - HB2 PHE 48 - HB3 ARG 26 lone 0 41 - 1 - Peak 2919 from cnoeabs.peaks (3.20, 1.85, 30.22 ppm; 3.63 A): 4 out of 77 assignments used, quality = 1.00: * HD3 ARG 71 + HB3 ARG 71 OK 100 100 - 100 - 3.5=100 HD3 ARG 71 + HB2 ARG 71 OK 100 100 - 100 - 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 52 52 - 100 - 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 50 50 - 100 - 3.4=100 HD3 ARG 26 - HB3 ARG 71 OK 37 71 - 53 - 2935/2.8=3, ~1391=3...(16) HD3 ARG 26 - HB2 ARG 71 OK 37 71 - 53 - 2935/2.8=3, ~1391=3...(16) HD2 ARG 66 - HB3 ARG 71 OK 37 97 - 38 - 2935/2.8=3, ~5167=2...(15) HD2 ARG 66 - HB2 ARG 71 OK 37 97 - 38 - 2935/2.8=3, ~5167=2...(15) HD3 ARG 70 - HB2 ARG 66 OK 37 56 - 65 - ~2867=4, ~2866=4...(53) HD2 ARG 70 - HB2 ARG 66 OK 36 55 - 65 - ~2867=4, ~2866=4...(53) HD3 ARG 66 - HB3 ARG 71 OK 36 95 - 38 - 2935/2.8=3, ~5167=2...(15) HD3 ARG 66 - HB2 ARG 71 OK 36 94 - 38 - 2935/2.8=3, ~5167=2...(15) HD2 ARG 26 - HB3 ARG 71 OK 36 68 - 53 - 2935/2.8=3, ~1391=3...(16) HD2 ARG 26 - HB2 ARG 71 OK 36 68 - 53 - 2935/2.8=3, ~1391=3...(16) HD3 ARG 26 - HB2 ARG 26 OK 31 31 - 100 - 3.5=100 HD2 ARG 70 - HB3 ARG 71 OK 30 99 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD2 ARG 70 - HB2 ARG 71 OK 30 99 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD2 ARG 26 - HB2 ARG 26 OK 30 30 - 100 - 3.5=100 HD3 ARG 70 - HB3 ARG 71 OK 30 100 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD3 ARG 70 - HB2 ARG 71 OK 30 100 - 30 - 2935/2.8=3, 5833/4.0=2...(11) HD3 ARG 26 - HB3 ARG 26 OK 30 30 - 100 - 3.5=100 HD2 ARG 26 - HB3 ARG 26 OK 28 28 - 100 - 3.5=100 HD3 ARG 26 - HB2 ARG 27 OK 26 71 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD3 ARG 26 - HB3 ARG 27 OK 26 71 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD2 ARG 26 - HB2 ARG 27 OK 25 68 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD2 ARG 26 - HB3 ARG 27 OK 25 68 - 37 - 5382/4.1=1, 3.0/1392=1...(10) HD3 ARG 71 - HB2 ARG 26 OK 21 54 - 39 - ~2929=3, 3.0/2931=2...(13) HD2 ARG 66 - HB2 ARG 26 OK 20 48 - 42 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 71 - HB2 ARG 27 OK 20 100 - 20 - 3.0/2930=2, ~2930=1, ~2931=1 HD3 ARG 71 - HB3 ARG 27 OK 20 100 - 20 - 3.0/2930=2, ~2930=1, ~2931=1 HD3 ARG 71 - HB3 ARG 26 OK 20 51 - 39 - ~2929=3, 3.0/2931=2...(13) HD3 ARG 66 - HB2 ARG 26 OK 19 47 - 42 - 3.0/2708=3, 3.0/2700=2...(12) HD2 ARG 66 - HB3 ARG 26 OK 19 46 - 42 - 3.0/2708=3, 3.0/2700=2...(13) HD3 ARG 66 - HB3 ARG 26 OK 18 44 - 42 - 3.0/2708=3, 3.0/2700=2...(12) HD3 ARG 71 - HB2 ARG 17 OK 15 51 - 29 - 3.0/2930=3, ~1149=2...(9) HD2 ARG 66 - HB3 ARG 27 OK 12 96 - 12 - HD2 ARG 66 - HB2 ARG 27 OK 12 96 - 12 - HD3 ARG 66 - HB2 ARG 27 OK 12 94 - 12 - HD3 ARG 66 - HB3 ARG 27 OK 12 94 - 12 - HD3 ARG 26 - HB2 ARG 66 OK 11 33 - 33 - 2712/2.8=2, 2704/2.8=2...(14) HD2 ARG 26 - HB2 ARG 66 OK 11 32 - 34 - 2712/2.8=2, 2704/2.8=2...(14) HD2 ARG 66 - HB3 ARG 23 poor 8 72 - 11 - HD2 ARG 66 - HB2 ARG 23 poor 8 71 - 11 - HD3 ARG 71 - HB2 ARG 66 poor 8 57 - 14 - 3.0/2931=1, 2712/2.8=1 HD3 ARG 66 - HB3 ARG 23 poor 8 70 - 11 - HD3 ARG 66 - HB2 ARG 23 poor 8 69 - 11 - HD3 ARG 71 - HB3 ARG 23 lone 8 79 - 10 - HD3 ARG 71 - HB2 ARG 23 lone 8 78 - 10 - HD3 ARG 26 - HB2 ARG 17 poor 7 29 - 23 - ~1149=1 HD2 ARG 26 - HB2 ARG 17 poor 6 28 - 22 - ~1149=1 HD2 ARG 70 - HB2 ARG 26 poor 6 52 - 12 - HD3 ARG 70 - HB2 ARG 26 poor 6 53 - 11 - HD2 ARG 70 - HB3 ARG 26 poor 6 50 - 12 - HD3 ARG 71 - HB3 PRO 34 poor 6 52 - 11 - 3.0/2931=1 HD3 ARG 70 - HB3 ARG 26 poor 6 51 - 11 - HD3 ARG 26 - HB3 ARG 23 poor 5 48 - 10 - HD3 ARG 26 - HB2 ARG 23 poor 5 48 - 10 - HD2 ARG 26 - HB3 ARG 23 poor 5 46 - 10 - HD2 ARG 26 - HB2 ARG 23 poor 5 46 - 10 - HD2 ARG 70 - HB2 ARG 27 lone 4 99 - 4 - HD2 ARG 70 - HB3 ARG 27 lone 4 99 - 4 - HD3 ARG 70 - HB2 ARG 27 lone 4 100 - 4 - HD3 ARG 70 - HB3 ARG 27 lone 4 100 - 4 - HD3 ARG 26 - HB3 PRO 34 poor 4 30 - 13 - HD2 ARG 26 - HB3 PRO 34 poor 4 29 - 13 - HD3 ARG 70 - HB2 ARG 17 lone 3 50 - 5 - HD2 ARG 70 - HB2 ARG 17 lone 3 49 - 5 - HD2 ARG 66 - HB2 ARG 17 lone 2 46 - 5 - HD3 ARG 66 - HB2 ARG 17 lone 2 44 - 4 - HD2 ARG 66 - HB3 PRO 34 lone 2 47 - 3 - HD3 ARG 70 - HB3 ARG 23 lone 2 78 - 2 - HD3 ARG 70 - HB2 ARG 23 lone 2 77 - 2 - HD3 ARG 66 - HB3 PRO 34 lone 2 45 - 3 - HD2 ARG 70 - HB3 ARG 23 lone 2 77 - 2 - HD2 ARG 70 - HB2 ARG 23 lone 2 76 - 2 - HD3 ARG 70 - HB3 PRO 34 lone 1 52 - 1 - HD2 ARG 70 - HB3 PRO 34 lone 1 51 - 1 - Peak 2920 from cnoeabs.peaks (8.11, 1.62, 28.82 ppm; 4.31 A): 2 out of 25 assignments used, quality = 0.94: * H ARG 71 + HG2 ARG 71 OK 90 100 - 90 - 5.0=65, 2928/1.8=24...(22) H ARG 26 + HG2 ARG 71 OK 36 71 - 51 - 2928/1.8=10, ~2929=6...(21) H ARG 71 - HD3 LYS 73 OK 28 98 - 29 - 942/6.1=3, 778=3...(12) H ARG 71 - HD2 LYS 73 OK 28 98 - 29 - 942/6.1=3, 778=3...(12) H ARG 71 - HD3 LYS 32 OK 27 99 - 28 - 778=3, 778/1.8=2...(12) H ARG 71 - HD2 LYS 32 OK 27 98 - 28 - 778=3, 778/1.8=2...(12) H LYS 75 - HD3 LYS 73 OK 26 87 - 30 - 5849/2.9=4, 803/3.5=4...(11) H LYS 75 - HD2 LYS 73 OK 26 87 - 30 - 5849/2.9=4, 803/3.5=4...(11) H LYS 85 - HD3 LYS 73 OK 23 98 - 24 - 853/2.9=3, 377/5.2=2...(10) H LYS 85 - HD2 LYS 73 OK 23 98 - 24 - 853/2.9=3, 377/5.2=2...(10) H LYS 75 - HG2 ARG 71 OK 17 92 - 18 - 2928/1.8=4, 5397/5.0=4...(5) H LYS 85 - HG2 ARG 71 OK 13 100 - 13 - 2928/1.8=3, 5397/5.0=2 H LYS 75 - HD3 LYS 32 lone 9 89 - 10 - H LYS 75 - HD2 LYS 32 lone 8 87 - 9 - H ARG 26 - HD3 LYS 32 lone 6 68 - 9 - H LYS 85 - HD3 LYS 32 lone 6 99 - 6 - H ARG 26 - HD2 LYS 32 lone 6 66 - 9 - H LYS 85 - HD2 LYS 32 lone 6 98 - 6 - H ARG 26 - HD2 LYS 73 lone 4 66 - 6 - H ARG 26 - HD3 LYS 73 lone 4 66 - 6 - H THR 88 - HG2 ARG 71 lone 3 71 - 4 - H THR 88 - HD2 LYS 73 lone 1 66 - 2 - H THR 88 - HD3 LYS 73 lone 1 66 - 2 - H THR 88 - HD3 LYS 32 lone 1 68 - 2 - H THR 88 - HD2 LYS 32 lone 1 66 - 2 - Peak 2921 from cnoeabs.peaks (4.08, 1.62, 28.82 ppm; 3.99 A): 2 out of 25 assignments used, quality = 1.00: * HA ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 3.8=100 HA ARG 26 + HG2 ARG 71 OK 51 99 - 52 - 2929/1.8=10, 3.7/1394=5...(22) HA ARG 71 - HD3 LYS 32 OK 22 99 - 22 - 4161/3.0=2, 2.9/2920=2...(10) HA ARG 71 - HD2 LYS 32 OK 21 98 - 22 - 4161/3.0=2, 2.9/2920=2...(10) HA ALA 63 - HG2 ARG 71 OK 19 93 - 20 - 2929/1.8=4, 5369/2.8=3...(7) HA ARG 71 - HD2 LYS 73 OK 19 98 - 19 - 3.6/5840=2, 2.9/2920=2...(8) HA ARG 71 - HD3 LYS 73 OK 19 98 - 19 - 3.6/5840=2, 2.9/2920=2...(8) HA GLU 25 - HG2 ARG 71 OK 17 95 - 18 - 2929/1.8=3, 3.6/529=3...(4) HA ARG 26 - HD3 LYS 32 lone 9 97 - 9 - HA ALA 63 - HD2 LYS 73 lone 9 89 - 9 - 2608/2.9=2 HA ALA 63 - HD3 LYS 73 lone 9 89 - 9 - 2608/2.9=2 HA ARG 26 - HD2 LYS 32 lone 8 96 - 9 - HA ARG 26 - HD3 LYS 73 lone 6 96 - 6 - HA ARG 26 - HD2 LYS 73 lone 6 96 - 6 - HA GLU 25 - HD3 LYS 32 lone 4 92 - 5 - HA GLU 25 - HD2 LYS 32 lone 4 90 - 5 - HA VAL 90 - HG2 ARG 71 lone 3 100 - 3 - HA ALA 63 - HD3 LYS 32 lone 3 90 - 3 - HA ALA 63 - HD2 LYS 32 lone 3 89 - 3 - HA GLU 25 - HD2 LYS 73 lone 3 90 - 3 - HA GLU 25 - HD3 LYS 73 lone 3 90 - 3 - HA VAL 90 - HD2 LYS 73 lone 2 98 - 2 - HA VAL 90 - HD3 LYS 73 lone 2 98 - 2 - HA VAL 90 - HD3 LYS 32 lone 1 99 - 1 - HA VAL 90 - HD2 LYS 32 lone 1 98 - 1 - Peak 2922 from cnoeabs.peaks (1.85, 1.62, 28.82 ppm; 3.09 A): 2 out of 70 assignments used, quality = 1.00: * HB2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 2.8=100 HB3 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 26 - HG2 ARG 71 OK 28 65 - 42 - 3.0/1394=4, ~2929=3...(16) HB3 ARG 26 - HG2 ARG 71 OK 26 63 - 42 - 3.0/1394=4, ~2929=3...(16) HB2 ARG 17 - HG2 ARG 71 OK 25 95 - 27 - 2930/1.8=3, 1.8/1167=2...(7) HB2 LYS 75 - HD3 LYS 73 OK 24 94 - 26 - 2972/2.9=1 HB2 LYS 75 - HD2 LYS 73 OK 24 94 - 26 - 2972/2.9=1 HB2 LYS 39 - HD3 LYS 73 OK 22 98 - 22 - HB2 LYS 39 - HD2 LYS 73 OK 22 98 - 22 - HB2 ARG 27 - HG2 ARG 71 OK 20 100 - 20 - 2930/1.8=2, 4.1/64=1...(5) HB3 ARG 27 - HG2 ARG 71 OK 20 100 - 20 - 2930/1.8=2, 4.1/64=1...(5) HB2 LYS 39 - HD3 LYS 32 OK 16 99 - 16 - HB2 ARG 71 - HD3 LYS 32 OK 15 99 - 15 - 2.8/2932=1, 3.0/2921=1 HB3 ARG 71 - HD3 LYS 32 OK 15 99 - 15 - 2.8/2932=1, 3.0/2921=1 HB2 ARG 71 - HD2 LYS 32 OK 15 98 - 15 - 2.8/2932=1, 3.0/2921=1 HB3 ARG 71 - HD2 LYS 32 OK 15 98 - 15 - 2.8/2932=1, 3.0/2921=1 HB2 LYS 39 - HD2 LYS 32 OK 14 98 - 14 - HB2 ARG 66 - HG2 ARG 71 OK 14 76 - 18 - 2931/1.8=1, 777/5.0=1 HB3 PRO 34 - HD3 LYS 32 OK 13 77 - 17 - HB3 PRO 34 - HG2 ARG 71 OK 13 81 - 16 - 2931/1.8=1 HB3 PRO 34 - HD2 LYS 32 OK 13 76 - 17 - HB2 ARG 71 - HD2 LYS 73 OK 10 98 - 10 - HB2 ARG 71 - HD3 LYS 73 OK 10 98 - 10 - HB3 ARG 71 - HD3 LYS 73 OK 10 98 - 10 - HB3 ARG 71 - HD2 LYS 73 OK 10 98 - 10 - HB2 LYS 75 - HD3 LYS 32 OK 10 95 - 10 - HB2 LYS 75 - HD2 LYS 32 poor 10 94 - 10 - HB3 ARG 23 - HG2 ARG 71 lone 10 100 - 9 - HB2 ARG 23 - HG2 ARG 71 lone 10 99 - 9 - HB ILE 89 - HD2 LYS 73 poor 6 56 - 11 - ~5274=1, 3605/5.2=1, ~5256=1 HB ILE 89 - HD3 LYS 73 poor 6 56 - 11 - ~5274=1, 3605/5.2=1, ~5256=1 HB2 LYS 75 - HG2 ARG 71 lone 5 97 - 5 - HB2 ARG 17 - HD3 LYS 73 lone 4 90 - 5 - HB2 ARG 17 - HD2 LYS 73 lone 4 90 - 5 - HB2 ARG 17 - HD3 LYS 32 lone 4 92 - 4 - HB3 ARG 27 - HD3 LYS 32 lone 4 99 - 4 - HB2 ARG 27 - HD3 LYS 32 lone 4 99 - 4 - HB2 ARG 17 - HD2 LYS 32 lone 4 90 - 4 - HB3 ARG 27 - HD2 LYS 32 lone 4 98 - 4 - HB2 ARG 27 - HD2 LYS 32 lone 4 98 - 4 - HB2 ARG 26 - HD3 LYS 32 lone 4 63 - 6 - HB2 ARG 26 - HD2 LYS 32 lone 4 61 - 6 - HB3 ARG 26 - HD3 LYS 32 lone 4 60 - 6 - HB3 ARG 26 - HD2 LYS 32 lone 4 58 - 6 - HB2 ARG 66 - HD3 LYS 32 lone 3 73 - 5 - HB2 ARG 66 - HD2 LYS 32 lone 3 71 - 4 - HB2 LYS 39 - HG2 ARG 71 lone 3 100 - 3 - HB3 PRO 34 - HD3 LYS 73 lone 2 76 - 3 - HB3 PRO 34 - HD2 LYS 73 lone 2 76 - 3 - HB2 ARG 26 - HD2 LYS 73 lone 2 61 - 3 - HB2 ARG 26 - HD3 LYS 73 lone 2 61 - 3 - HB2 ARG 27 - HD3 LYS 73 lone 2 98 - 2 - HB2 ARG 27 - HD2 LYS 73 lone 2 98 - 2 - HB3 ARG 27 - HD3 LYS 73 lone 2 98 - 2 - HB3 ARG 27 - HD2 LYS 73 lone 2 98 - 2 - HB3 ARG 26 - HD2 LYS 73 lone 2 58 - 3 - HB3 ARG 26 - HD3 LYS 73 lone 2 58 - 3 - HB3 ARG 23 - HD3 LYS 73 lone 2 97 - 2 - HB3 ARG 23 - HD2 LYS 73 lone 2 97 - 2 - HB2 ARG 23 - HD2 LYS 73 lone 2 96 - 2 - HB2 ARG 23 - HD3 LYS 73 lone 2 96 - 2 - HB ILE 89 - HG2 ARG 71 lone 2 60 - 3 - HB2 ARG 66 - HD3 LYS 73 lone 2 71 - 2 - HB2 ARG 66 - HD2 LYS 73 lone 2 71 - 2 - HB3 ARG 23 - HD3 LYS 32 lone 1 98 - 1 - HB2 ARG 23 - HD3 LYS 32 lone 1 98 - 1 - HB3 ARG 23 - HD2 LYS 32 lone 1 97 - 1 - HB2 ARG 23 - HD2 LYS 32 lone 1 96 - 1 - HB ILE 89 - HD3 LYS 32 lone 1 57 - 1 - HB ILE 89 - HD2 LYS 32 lone 1 56 - 1 - Peak 2923 from cnoeabs.peaks (1.85, 1.62, 28.82 ppm; 3.09 A): 2 out of 65 assignments used, quality = 1.00: * HB3 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 26 - HG2 ARG 71 OK 29 68 - 42 - 3.0/1394=4, ~2929=3...(16) HB3 ARG 26 - HG2 ARG 71 OK 28 65 - 42 - 3.0/1394=4, ~2929=3...(16) HB2 ARG 17 - HG2 ARG 71 OK 25 93 - 27 - 2930/1.8=3, 1.8/1167=2...(7) HB2 LYS 75 - HD2 LYS 73 OK 24 93 - 26 - 2972/2.9=1 HB2 LYS 75 - HD3 LYS 73 OK 24 93 - 26 - 2972/2.9=1 HB2 LYS 39 - HD2 LYS 73 OK 22 98 - 22 - HB2 LYS 39 - HD3 LYS 73 OK 22 98 - 22 - HB2 ARG 27 - HG2 ARG 71 OK 20 100 - 20 - 2930/1.8=2, 4.1/64=1...(5) HB3 ARG 27 - HG2 ARG 71 OK 20 100 - 20 - 2930/1.8=2, 4.1/64=1...(5) HB2 LYS 39 - HD3 LYS 32 OK 16 99 - 16 - HB3 ARG 71 - HD3 LYS 32 OK 15 99 - 15 - 2.8/2932=1, 3.0/2921=1 HB2 ARG 71 - HD3 LYS 32 OK 15 99 - 15 - 2.8/2932=1, 3.0/2921=1 HB3 ARG 71 - HD2 LYS 32 OK 15 98 - 15 - 2.8/2932=1, 3.0/2921=1 HB2 ARG 71 - HD2 LYS 32 OK 15 98 - 15 - 2.8/2932=1, 3.0/2921=1 HB2 LYS 39 - HD2 LYS 32 OK 14 98 - 14 - HB2 ARG 66 - HG2 ARG 71 OK 14 78 - 18 - 2931/1.8=1, 777/5.0=1 HB3 PRO 34 - HD3 LYS 32 OK 14 80 - 17 - HB3 PRO 34 - HD2 LYS 32 OK 13 78 - 17 - HB3 PRO 34 - HG2 ARG 71 OK 13 83 - 16 - 2931/1.8=1 HB3 ARG 71 - HD2 LYS 73 OK 10 98 - 10 - HB3 ARG 71 - HD3 LYS 73 OK 10 98 - 10 - HB2 ARG 71 - HD2 LYS 73 OK 10 98 - 10 - HB2 ARG 71 - HD3 LYS 73 OK 10 98 - 10 - HB2 LYS 75 - HD3 LYS 32 poor 10 94 - 10 - HB3 ARG 23 - HG2 ARG 71 lone 10 99 - 9 - HB2 ARG 23 - HG2 ARG 71 lone 10 99 - 9 - HB2 LYS 75 - HD2 LYS 32 poor 9 93 - 10 - HB2 LYS 75 - HG2 ARG 71 lone 5 97 - 5 - HB3 ARG 27 - HD3 LYS 32 lone 4 99 - 4 - HB2 ARG 27 - HD3 LYS 32 lone 4 99 - 4 - HB2 ARG 17 - HD3 LYS 32 lone 4 90 - 4 - HB2 ARG 17 - HD3 LYS 73 lone 4 89 - 4 - HB2 ARG 17 - HD2 LYS 73 lone 4 89 - 4 - HB3 ARG 27 - HD2 LYS 32 lone 4 98 - 4 - HB2 ARG 27 - HD2 LYS 32 lone 4 98 - 4 - HB2 ARG 17 - HD2 LYS 32 lone 4 89 - 4 - HB2 ARG 26 - HD3 LYS 32 lone 4 65 - 6 - HB2 ARG 26 - HD2 LYS 32 lone 4 64 - 6 - HB3 ARG 26 - HD3 LYS 32 lone 4 63 - 6 - HB3 ARG 26 - HD2 LYS 32 lone 4 61 - 6 - HB2 ARG 66 - HD3 LYS 32 lone 3 75 - 5 - HB2 ARG 66 - HD2 LYS 32 lone 3 73 - 5 - HB2 LYS 39 - HG2 ARG 71 lone 3 100 - 3 - HB3 PRO 34 - HD2 LYS 73 lone 2 78 - 3 - HB3 PRO 34 - HD3 LYS 73 lone 2 78 - 3 - HB2 ARG 26 - HD2 LYS 73 lone 2 64 - 3 - HB2 ARG 26 - HD3 LYS 73 lone 2 64 - 3 - HB3 ARG 26 - HD2 LYS 73 lone 2 61 - 3 - HB3 ARG 26 - HD3 LYS 73 lone 2 61 - 3 - HB2 ARG 27 - HD3 LYS 73 lone 2 98 - 2 - HB2 ARG 27 - HD2 LYS 73 lone 2 98 - 2 - HB3 ARG 27 - HD2 LYS 73 lone 2 98 - 2 - HB3 ARG 27 - HD3 LYS 73 lone 2 98 - 2 - HB3 ARG 23 - HD2 LYS 73 lone 2 96 - 2 - HB3 ARG 23 - HD3 LYS 73 lone 2 96 - 2 - HB2 ARG 66 - HD2 LYS 73 lone 2 73 - 2 - HB2 ARG 66 - HD3 LYS 73 lone 2 73 - 2 - HB2 ARG 23 - HD2 LYS 73 lone 2 96 - 2 - HB2 ARG 23 - HD3 LYS 73 lone 2 96 - 2 - HB3 ARG 23 - HD3 LYS 32 lone 1 98 - 1 - HB2 ARG 23 - HD3 LYS 32 lone 1 97 - 1 - HB3 ARG 23 - HD2 LYS 32 lone 1 96 - 1 - HB2 ARG 23 - HD2 LYS 32 lone 1 96 - 1 - Peak 2924 from cnoeabs.peaks (1.62, 1.62, 28.82 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 97 97 - 100 HD3 LYS 73 + HD3 LYS 73 OK 94 94 - 100 HD2 LYS 73 + HD2 LYS 73 OK 94 94 - 100 HD2 LYS 32 + HD2 LYS 32 OK 94 94 - 100 Peak 2925 from cnoeabs.peaks (1.75, 1.62, 28.82 ppm; 2.78 A): 5 out of 80 assignments used, quality = 1.00: * HG3 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 1.8=100 HB2 LYS 32 + HD3 LYS 32 OK 51 75 - 68 - 3.5=51, ~1558=4...(16) HB3 LYS 32 + HD3 LYS 32 OK 51 75 - 68 - 3.5=51, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 50 73 - 68 - 3.5=51, ~1558=4...(16) HB2 LYS 32 + HD2 LYS 32 OK 50 73 - 68 - 3.5=51, ~1558=4...(16) HB3 LYS 73 - HD3 LYS 73 OK 36 64 - 57 - 3.5=48, 4.0/792=2...(6) HB3 LYS 73 - HD2 LYS 73 OK 36 64 - 57 - 3.5=48, 4.0/792=2...(6) HG3 ARG 26 - HG2 ARG 71 OK 35 100 - 36 - 1394=7, 1391/3.8=3...(10) HB3 ARG 17 - HG2 ARG 71 OK 24 99 - 25 - 1167=2, 1164/2.8=2...(9) HB2 LYS 32 - HD2 LYS 73 OK 21 73 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB2 LYS 32 - HD3 LYS 73 OK 21 73 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD3 LYS 73 OK 21 73 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HB3 LYS 32 - HD2 LYS 73 OK 21 73 - 29 - 2.9/1601=2, 2.9/1591=2...(5) HG2 PRO 34 - HG2 ARG 71 OK 14 99 - 14 - 1723/2.8=1, 1723/2.8=1 HG2 PRO 34 - HD3 LYS 32 OK 14 97 - 14 - HB2 ARG 54 - HD3 LYS 32 OK 14 90 - 15 - 2311/3.0=1, 2311/3.0=1, ~2319=1 HG3 ARG 71 - HD3 LYS 32 OK 13 99 - 13 - 2932=2, 2932/1.8=1 HB2 ARG 54 - HD2 LYS 32 OK 13 89 - 15 - 2311/3.0=1, 2311/3.0=1, ~2319=1 HG2 PRO 34 - HD2 LYS 32 OK 13 95 - 14 - HG3 ARG 71 - HD2 LYS 32 OK 13 98 - 13 - 2932=2, 2932/1.8=1 HB3 LYS 73 - HD3 LYS 32 OK 13 65 - 20 - 2.9/2995=1 HB3 LYS 73 - HD2 LYS 32 OK 12 64 - 20 - 2.9/2995=1 HB3 LYS 85 - HD3 LYS 73 OK 10 56 - 18 - HB3 LYS 85 - HD2 LYS 73 OK 10 56 - 18 - HG3 ARG 71 - HD2 LYS 73 lone 8 98 - 9 - 2932=1 HG3 ARG 71 - HD3 LYS 73 lone 8 98 - 9 - 2932=1 HB2 PRO 34 - HG2 ARG 71 poor 8 63 - 13 - HB2 ARG 84 - HD3 LYS 73 poor 7 66 - 11 - HB2 ARG 84 - HD2 LYS 73 poor 7 66 - 11 - HB3 LYS 32 - HG2 ARG 71 lone 7 78 - 9 - HB2 LYS 32 - HG2 ARG 71 lone 7 78 - 9 - HB2 PRO 34 - HD3 LYS 32 poor 7 60 - 11 - HB2 LEU 62 - HG2 ARG 71 lone 6 100 - 6 - HB2 PRO 34 - HD2 LYS 32 poor 6 58 - 11 - HB ILE 33 - HD3 LYS 32 lone 6 86 - 7 - 4219/3.0=2 HB ILE 33 - HD2 LYS 32 lone 6 84 - 7 - 4219/3.0=2 HB2 LEU 57 - HD2 LYS 73 lone 5 87 - 6 - HB2 LEU 57 - HD3 LYS 73 lone 5 87 - 6 - HB2 ARG 84 - HG2 ARG 71 lone 5 71 - 7 - HG3 ARG 26 - HD3 LYS 32 lone 5 99 - 5 - HB2 LEU 57 - HD3 LYS 32 lone 5 89 - 5 - HG3 ARG 26 - HD2 LYS 32 lone 5 97 - 5 - HB2 LEU 62 - HD2 LYS 73 lone 4 97 - 5 - HB2 LEU 62 - HD3 LYS 73 lone 4 97 - 5 - HB2 LEU 57 - HD2 LYS 32 lone 4 87 - 5 - HB2 LEU 62 - HD3 LYS 32 lone 4 98 - 4 - HB2 LEU 62 - HD2 LYS 32 lone 4 97 - 4 - HB2 ARG 84 - HD3 LYS 32 lone 4 68 - 6 - HB3 ARG 17 - HD2 LYS 73 lone 4 95 - 4 - HB3 ARG 17 - HD3 LYS 73 lone 4 95 - 4 - HB2 ARG 84 - HD2 LYS 32 lone 4 66 - 5 - HB3 LYS 73 - HG2 ARG 71 lone 4 68 - 5 - HB3 ARG 82 - HD2 LYS 73 lone 4 89 - 4 - HB3 ARG 82 - HD3 LYS 73 lone 4 89 - 4 - HB3 ARG 17 - HD3 LYS 32 lone 3 97 - 3 - HB3 ARG 17 - HD2 LYS 32 lone 3 95 - 3 - HB3 ARG 82 - HG2 ARG 71 lone 3 93 - 3 - HG2 PRO 34 - HD3 LYS 73 lone 3 95 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 3 95 - 3 - HG3 ARG 26 - HD3 LYS 73 lone 2 97 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 2 97 - 2 - HB3 ARG 82 - HD3 LYS 32 lone 2 90 - 3 - HB2 ARG 54 - HD2 LYS 73 lone 2 89 - 3 - HB2 ARG 54 - HD3 LYS 73 lone 2 89 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 2 89 - 3 - HB3 LYS 85 - HD3 LYS 32 lone 2 57 - 3 - HB3 LYS 85 - HD2 LYS 32 lone 2 56 - 3 - HB2 ARG 54 - HG2 ARG 71 lone 2 93 - 2 - HB2 LEU 57 - HG2 ARG 71 lone 1 92 - 2 - HB3 LYS 85 - HG2 ARG 71 lone 1 60 - 2 - HB2 PRO 34 - HD2 LYS 73 lone 1 58 - 2 - HB2 PRO 34 - HD3 LYS 73 lone 1 58 - 2 - HB ILE 33 - HG2 ARG 71 lone 1 89 - 1 - HB2 LEU 43 - HG2 ARG 71 lone 1 65 - 2 - HB2 LEU 43 - HD2 LYS 73 lone 1 61 - 1 - HB2 LEU 43 - HD3 LYS 73 lone 1 61 - 1 - HB ILE 33 - HD3 LYS 73 lone 1 84 - 1 - HB ILE 33 - HD2 LYS 73 lone 1 84 - 1 - HB2 LEU 43 - HD3 LYS 32 lone 1 63 - 1 - HB2 LEU 43 - HD2 LYS 32 lone 1 61 - 1 - Peak 2926 from cnoeabs.peaks (3.14, 1.62, 28.82 ppm; 4.28 A): 1 out of 55 assignments used, quality = 1.00: * HD2 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 3.0=100 HD2 ARG 17 - HG2 ARG 71 OK 35 83 - 43 - 2934/1.8=5, ~2934=3...(9) HD3 ARG 17 - HG2 ARG 71 OK 35 83 - 43 - 2934/1.8=5, ~2934=3...(9) HD2 ARG 71 - HD3 LYS 32 OK 22 99 - 22 - 3.0/2932=2, 1.8/2927=2...(6) HD2 ARG 71 - HD2 LYS 32 OK 21 98 - 22 - 3.0/2932=2, 1.8/2927=2...(5) HD2 ARG 84 - HG2 ARG 71 OK 21 99 - 21 - 2934/1.8=3, ~2934=2, 2902/3.8=1 HD3 ARG 84 - HG2 ARG 71 OK 20 98 - 21 - 2934/1.8=3, ~2934=2, 2902/3.8=1 HD2 ARG 27 - HG2 ARG 71 OK 17 60 - 28 - 2934/1.8=2, ~2934=2...(6) HD3 ARG 27 - HG2 ARG 71 OK 17 60 - 28 - 2934/1.8=2, ~2934=2...(6) HD3 ARG 23 - HG2 ARG 71 OK 15 71 - 21 - 2934/1.8=2, ~2934=2 HD2 ARG 23 - HG2 ARG 71 OK 15 71 - 21 - 2934/1.8=2, ~2934=2 HD2 ARG 71 - HD2 LYS 73 OK 13 98 - 13 - 4.7/2921=1, 3.0/2932=1 HD2 ARG 71 - HD3 LYS 73 OK 13 98 - 13 - 4.7/2921=1, 3.0/2932=1 HD2 ARG 84 - HD3 LYS 32 lone 8 97 - 8 - HD2 ARG 84 - HD2 LYS 32 lone 8 96 - 8 - HD3 ARG 84 - HD3 LYS 32 lone 8 96 - 8 - HD3 ARG 84 - HD2 LYS 32 lone 8 94 - 8 - HD2 ARG 84 - HD2 LYS 73 lone 7 96 - 8 - HD2 ARG 84 - HD3 LYS 73 lone 7 96 - 8 - HD3 ARG 84 - HD3 LYS 73 lone 7 94 - 8 - HD3 ARG 84 - HD2 LYS 73 lone 7 94 - 8 - HB2 PHE 48 - HG2 ARG 71 lone 5 90 - 5 - ~2157=1 HD3 ARG 17 - HD3 LYS 32 lone 5 80 - 6 - HD2 ARG 17 - HD3 LYS 32 lone 5 80 - 6 - HD3 ARG 17 - HD2 LYS 32 lone 5 78 - 6 - HD2 ARG 17 - HD2 LYS 32 lone 5 78 - 6 - HD2 ARG 17 - HD2 LYS 73 lone 3 78 - 4 - HD3 ARG 17 - HD3 LYS 73 lone 3 78 - 4 - HD2 ARG 17 - HD3 LYS 73 lone 3 78 - 4 - HD3 ARG 17 - HD2 LYS 73 lone 3 78 - 4 - HD2 ARG 82 - HG2 ARG 71 lone 3 99 - 3 - HD2 ARG 27 - HD3 LYS 32 lone 2 57 - 4 - HD3 ARG 27 - HD3 LYS 32 lone 2 57 - 4 - HD3 ARG 27 - HD2 LYS 32 lone 2 56 - 4 - HD2 ARG 27 - HD2 LYS 32 lone 2 56 - 4 - HD2 ARG 82 - HD3 LYS 32 lone 2 97 - 2 - HD2 ARG 82 - HD2 LYS 73 lone 2 95 - 2 - HD2 ARG 82 - HD3 LYS 73 lone 2 95 - 2 - HD2 ARG 82 - HD2 LYS 32 lone 2 95 - 2 - HB2 PHE 48 - HD3 LYS 32 lone 2 87 - 2 - HB2 PHE 48 - HD2 LYS 32 lone 2 86 - 2 - HD2 ARG 23 - HD3 LYS 73 lone 2 66 - 2 - HD2 ARG 23 - HD2 LYS 73 lone 2 66 - 2 - HD3 ARG 23 - HD3 LYS 73 lone 2 66 - 2 - HD3 ARG 23 - HD2 LYS 73 lone 2 66 - 2 - HD3 ARG 23 - HD3 LYS 32 lone 1 68 - 2 - HD2 ARG 23 - HD3 LYS 32 lone 1 68 - 2 - HD3 ARG 23 - HD2 LYS 32 lone 1 66 - 2 - HD2 ARG 23 - HD2 LYS 32 lone 1 66 - 2 - HB2 PHE 48 - HD3 LYS 73 lone 1 86 - 2 - HB2 PHE 48 - HD2 LYS 73 lone 1 86 - 2 - HD3 ARG 27 - HD2 LYS 73 lone 1 56 - 2 - HD3 ARG 27 - HD3 LYS 73 lone 1 56 - 2 - HD2 ARG 27 - HD2 LYS 73 lone 1 56 - 2 - HD2 ARG 27 - HD3 LYS 73 lone 1 56 - 2 - Peak 2927 from cnoeabs.peaks (3.20, 1.62, 28.82 ppm; 4.04 A): 1 out of 35 assignments used, quality = 1.00: * HD3 ARG 71 + HG2 ARG 71 OK 100 100 - 100 - 3.0=100 HD3 ARG 26 - HG2 ARG 71 OK 40 71 - 58 - 3.0/1394=6, 2935/1.8=5...(23) HD2 ARG 26 - HG2 ARG 71 OK 39 68 - 57 - 3.0/1394=6, 2935/1.8=5...(23) HD2 ARG 70 - HG2 ARG 71 OK 38 99 - 38 - 2935/1.8=4, 3.0/2869=4...(14) HD3 ARG 70 - HG2 ARG 71 OK 38 100 - 38 - 2935/1.8=4, 3.0/2869=4...(14) HD2 ARG 66 - HG2 ARG 71 OK 35 97 - 36 - 2935/1.8=4, ~2935=3...(9) HD3 ARG 66 - HG2 ARG 71 OK 34 95 - 36 - 2935/1.8=4, ~2935=3...(9) HD3 ARG 71 - HD3 LYS 32 OK 21 99 - 22 - 3.0/2932=2, 1.8/2926=2...(5) HD3 ARG 71 - HD2 LYS 32 OK 21 98 - 22 - 3.0/2932=2, 1.8/2926=2...(5) HD3 ARG 70 - HD3 LYS 32 OK 13 98 - 13 - 3.0/2869=1, 5.3/2845=1 HD2 ARG 70 - HD3 LYS 32 OK 13 98 - 13 - 3.0/2869=1, 5.3/2845=1 HD3 ARG 70 - HD2 LYS 32 OK 13 97 - 13 - 3.0/2869=1, 5.3/2845=1 HD2 ARG 70 - HD2 LYS 32 OK 13 96 - 13 - 3.0/2869=1, 5.3/2845=1 HD3 ARG 71 - HD2 LYS 73 OK 12 98 - 12 - 3.0/2932=1, 4.7/2921=1 HD3 ARG 71 - HD3 LYS 73 OK 12 98 - 12 - 3.0/2932=1, 4.7/2921=1 HD3 ARG 70 - HD2 LYS 73 lone 8 97 - 8 - 5.3/2845=1 HD3 ARG 70 - HD3 LYS 73 lone 8 97 - 8 - 5.3/2845=1 HD2 ARG 70 - HD2 LYS 73 lone 8 96 - 8 - 5.3/2845=1 HD2 ARG 70 - HD3 LYS 73 lone 8 96 - 8 - 5.3/2845=1 HD3 ARG 26 - HD3 LYS 32 lone 6 68 - 9 - HD3 ARG 26 - HD2 LYS 32 lone 6 66 - 9 - HD2 ARG 26 - HD3 LYS 32 lone 6 65 - 9 - HD2 ARG 26 - HD2 LYS 32 lone 6 64 - 9 - HD2 ARG 66 - HD3 LYS 32 lone 5 94 - 6 - HD2 ARG 66 - HD2 LYS 32 lone 5 93 - 5 - HD3 ARG 66 - HD3 LYS 32 lone 5 92 - 5 - HD3 ARG 66 - HD2 LYS 32 lone 5 90 - 5 - HD3 ARG 26 - HD2 LYS 73 lone 3 66 - 4 - HD3 ARG 26 - HD3 LYS 73 lone 3 66 - 4 - HD2 ARG 26 - HD2 LYS 73 lone 3 64 - 4 - HD2 ARG 26 - HD3 LYS 73 lone 3 64 - 4 - HD2 ARG 66 - HD3 LYS 73 lone 3 93 - 3 - HD2 ARG 66 - HD2 LYS 73 lone 3 93 - 3 - HD3 ARG 66 - HD2 LYS 73 lone 3 90 - 3 - HD3 ARG 66 - HD3 LYS 73 lone 3 90 - 3 - Peak 2928 from cnoeabs.peaks (8.11, 1.75, 28.82 ppm; 4.10 A): 4 out of 5 assignments used, quality = 0.91: * H ARG 71 + HG3 ARG 71 OK 83 100 - 83 - 5.0=56, 5397/5.0=13...(18) H ARG 26 + HG3 ARG 71 OK 34 71 - 49 - 3.0/2929=8, 530=6...(21) H LYS 75 + HG3 ARG 71 OK 14 92 - 15 - 5397/5.0=3, 803/2.8=2...(6) H LYS 85 + HG3 ARG 71 OK 11 100 - 10 - 5397/5.0=2, 2920/1.8=1 H THR 88 - HG3 ARG 71 lone 2 71 - 3 - Peak 2929 from cnoeabs.peaks (4.08, 1.75, 28.82 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.8=100 HA ARG 26 + HG3 ARG 71 OK 53 99 - 54 - 3.0/2928=7, 2921/1.8=6...(19) HA ALA 63 - HG3 ARG 71 OK 20 93 - 22 - 3.0/256=3, 5369/2.8=3...(7) HA GLU 25 - HG3 ARG 71 OK 19 95 - 20 - 3.6/2928=6, 2921/1.8=2...(5) HA VAL 90 - HG3 ARG 71 lone 3 100 - 3 - Peak 2930 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.44 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 2.8=100 HB3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 17 - HG3 ARG 71 OK 37 95 - 40 - 3.0/1149=4, 2.9/2932=3...(14) HB2 ARG 26 - HG3 ARG 71 OK 34 65 - 52 - 3.0/2929=6, 3.9/2928=4...(12) HB3 ARG 26 - HG3 ARG 71 OK 33 63 - 52 - 3.0/2929=6, 3.9/2928=4...(12) HB2 ARG 27 - HG3 ARG 71 OK 26 100 - 26 - 4.1/65=3, 2.9/2932=2...(6) HB3 ARG 27 - HG3 ARG 71 OK 26 100 - 26 - 4.1/65=3, 2.9/2932=2...(6) HB2 ARG 66 - HG3 ARG 71 OK 18 76 - 24 - 3.4/2935=2, 3.4/2935=2 HB3 PRO 34 - HG3 ARG 71 OK 18 81 - 23 - 2.3/1703=1, 2.3/1731=1...(6) HB3 ARG 23 - HG3 ARG 71 OK 13 100 - 13 - HB2 ARG 23 - HG3 ARG 71 OK 13 99 - 13 - HB2 LYS 75 - HG3 ARG 71 lone 7 97 - 7 - 4.0/2928=2 HB2 LYS 39 - HG3 ARG 71 lone 5 100 - 5 - HB ILE 89 - HG3 ARG 71 lone 2 60 - 3 - Peak 2931 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.44 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 2.8=100 HB2 ARG 17 - HG3 ARG 71 OK 37 93 - 40 - 3.0/1149=4, 2.9/2932=3...(14) HB2 ARG 26 - HG3 ARG 71 OK 35 68 - 52 - 3.0/2929=6, 3.9/2928=4...(12) HB3 ARG 26 - HG3 ARG 71 OK 34 65 - 52 - 3.0/2929=6, 3.9/2928=4...(12) HB2 ARG 27 - HG3 ARG 71 OK 26 100 - 26 - 4.1/65=3, 2.9/2932=2...(6) HB3 ARG 27 - HG3 ARG 71 OK 26 100 - 26 - 4.1/65=3, 2.9/2932=2...(6) HB2 ARG 66 - HG3 ARG 71 OK 19 78 - 24 - 3.4/2935=2, 3.4/2935=2 HB3 PRO 34 - HG3 ARG 71 OK 19 83 - 23 - 2.3/1703=1, 2.3/1731=1...(6) HB3 ARG 23 - HG3 ARG 71 OK 13 99 - 13 - HB2 ARG 23 - HG3 ARG 71 OK 13 99 - 13 - HB2 LYS 75 - HG3 ARG 71 lone 7 97 - 7 - 4.0/2928=2 HB2 LYS 39 - HG3 ARG 71 lone 5 100 - 5 - Peak 2932 from cnoeabs.peaks (1.62, 1.75, 28.82 ppm; 2.76 A): 1 out of 16 assignments used, quality = 1.00: * HG2 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 1.8=100 HG2 ARG 26 - HG3 ARG 71 OK 31 100 - 32 - 3.7/2929=3, 1387=3...(9) HG2 ARG 17 - HG3 ARG 71 OK 25 100 - 26 - 4.0/1149=2, 1181=2...(7) HG3 ARG 17 - HG3 ARG 71 OK 25 100 - 26 - 4.0/1149=2, 1181=2...(7) HG3 ARG 70 - HG3 ARG 71 OK 17 99 - 18 - 5.0/2928=4, ~2869=2...(5) HG2 ARG 27 - HG3 ARG 71 OK 14 96 - 15 - 5.0/65=1, 1387=1...(4) HG3 ARG 27 - HG3 ARG 71 OK 14 95 - 15 - 5.0/65=1, 1387=1...(4) HD3 LYS 32 - HG3 ARG 71 OK 12 99 - 12 - HD2 LYS 32 - HG3 ARG 71 OK 12 98 - 12 - HD3 LYS 73 - HG3 ARG 71 lone 8 98 - 8 - HD2 LYS 73 - HG3 ARG 71 lone 8 98 - 8 - HG3 ARG 84 - HG3 ARG 71 lone 6 68 - 9 - HG2 ARG 84 - HG3 ARG 71 lone 6 68 - 9 - HB2 LEU 86 - HG3 ARG 71 lone 4 100 - 3 - HG LEU 86 - HG3 ARG 71 lone 3 81 - 3 - HB3 LEU 51 - HG3 ARG 71 lone 1 83 - 1 - Peak 2933 from cnoeabs.peaks (1.75, 1.75, 28.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 Peak 2934 from cnoeabs.peaks (3.14, 1.75, 28.82 ppm; 4.18 A): 1 out of 11 assignments used, quality = 1.00: * HD2 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.0=100 HD3 ARG 17 - HG3 ARG 71 OK 35 83 - 43 - 3.0/2932=4, 3.0/2932=4...(11) HD2 ARG 17 - HG3 ARG 71 OK 35 83 - 43 - 3.0/2932=4, 3.0/2932=4...(11) HD2 ARG 84 - HG3 ARG 71 OK 18 99 - 19 - 2926/1.8=2, ~2926=1, 2902/3.8=1 HD3 ARG 84 - HG3 ARG 71 OK 18 98 - 18 - 2926/1.8=2, ~2926=1, 2902/3.8=1 HD3 ARG 27 - HG3 ARG 71 OK 17 60 - 28 - 6.3/65=3, 3.0/2932=2...(6) HD2 ARG 27 - HG3 ARG 71 OK 17 60 - 28 - 6.3/65=3, 3.0/2932=2...(6) HD3 ARG 23 - HG3 ARG 71 OK 15 71 - 21 - 2926/1.8=1, 3.5/2930=1 HD2 ARG 23 - HG3 ARG 71 OK 15 71 - 21 - 2926/1.8=1, 3.5/2930=1 HB2 PHE 48 - HG3 ARG 71 lone 5 90 - 5 - HD2 ARG 82 - HG3 ARG 71 lone 4 99 - 4 - Peak 2935 from cnoeabs.peaks (3.20, 1.75, 28.82 ppm; 4.06 A): 1 out of 7 assignments used, quality = 1.00: * HD3 ARG 71 + HG3 ARG 71 OK 100 100 - 100 - 3.0=100 HD3 ARG 26 - HG3 ARG 71 OK 42 71 - 59 - 4.8/2929=5, 3.0/2932=4...(18) HD2 ARG 26 - HG3 ARG 71 OK 40 68 - 59 - 4.8/2929=5, 3.0/2932=4...(19) HD2 ARG 66 - HG3 ARG 71 OK 33 97 - 35 - 2927/1.8=2, 5833/5.0=2...(9) HD2 ARG 70 - HG3 ARG 71 OK 33 99 - 33 - 2927/1.8=3, 3.0/2932=3...(8) HD3 ARG 70 - HG3 ARG 71 OK 33 100 - 33 - 2927/1.8=3, 3.0/2932=3...(9) HD3 ARG 66 - HG3 ARG 71 OK 33 95 - 35 - 2927/1.8=2, 5833/5.0=2...(8) Peak 2937 from cnoeabs.peaks (4.08, 3.14, 43.10 ppm; 4.06 A): 3 out of 50 assignments used, quality = 0.93: * HA ARG 71 + HD2 ARG 71 OK 85 100 - 85 - 4.7=66, ~2928=8...(22) HA ARG 26 + HD2 ARG 71 OK 42 99 - 43 - 2929/3.0=8, 2921/3.0=5...(15) HA ARG 71 - HD2 ARG 17 OK 24 83 - 29 - 3.8/2934=3, 2902=2...(8) HA ARG 71 + HD3 ARG 17 OK 24 83 - 29 - 3.8/2934=3, 2902=2...(8) HA ARG 71 - HD2 ARG 84 OK 16 99 - 16 - 2902=2, 3.8/2934=2, 2902/1.8=1 HA ARG 71 - HD3 ARG 84 OK 15 98 - 16 - 2902=2, 3.8/2934=2, 2902/1.8=1 HA ALA 63 - HD2 ARG 71 OK 15 93 - 16 - 2929/3.0=3, 5369/3.5=2...(7) HA ARG 71 - HD2 ARG 27 OK 14 60 - 23 - 61/6.3=2, 2902=2...(6) HA ARG 71 - HD3 ARG 27 OK 14 60 - 23 - 61/6.3=2, 2902=2...(6) HA ARG 26 - HD2 ARG 27 OK 14 58 - 24 - 6153/6.3=2, 1383/3.0=2...(11) HA ARG 26 - HD3 ARG 27 OK 14 58 - 24 - 6153/6.3=2, 1383/3.0=2...(11) HA ARG 71 - HD3 ARG 23 OK 11 71 - 16 - 3.8/2934=1, 2902=1, 2902/1.8=1 HA ARG 71 - HD2 ARG 23 OK 11 71 - 16 - 3.8/2934=1, 2902=1, 2902/1.8=1 HA GLU 25 - HD2 ARG 71 OK 11 95 - 12 - 2929/3.0=3, 2921/3.0=2...(5) HA ARG 26 - HD2 ARG 17 OK 11 80 - 14 - 2902=1 HA ARG 26 - HD3 ARG 17 OK 11 80 - 14 - 2902=1 HA ARG 26 - HD2 ARG 84 lone 7 97 - 7 - HA ARG 26 - HD3 ARG 84 lone 7 96 - 7 - HA GLU 25 - HD3 ARG 27 poor 6 52 - 11 - 61/6.3=2 HA GLU 25 - HD2 ARG 27 poor 6 52 - 11 - 61/6.3=2 HA ARG 26 - HD3 ARG 23 lone 4 68 - 6 - HA ARG 26 - HD2 ARG 23 lone 4 68 - 6 - HA ALA 63 - HD2 ARG 17 lone 4 72 - 6 - 5783/5.6=2, 4686/1.8=1 HA ALA 63 - HD3 ARG 17 lone 4 72 - 6 - 5783/5.6=2, 4686/1.8=1 HA ARG 71 - HD2 ARG 82 lone 3 96 - 3 - HA GLU 25 - HD2 ARG 84 lone 3 92 - 3 - HA GLU 25 - HD3 ARG 84 lone 3 91 - 3 - HA ALA 63 - HD3 ARG 27 lone 3 51 - 5 - 4686/1.8=1 HA ALA 63 - HD2 ARG 27 lone 3 51 - 5 - 4686/1.8=1 HA ALA 63 - HD2 ARG 84 lone 3 91 - 3 - HA ALA 63 - HD3 ARG 84 lone 3 89 - 3 - HA GLU 25 - HD3 ARG 17 lone 3 74 - 3 - HA GLU 25 - HD2 ARG 17 lone 3 74 - 3 - HA VAL 90 - HD2 ARG 71 lone 2 100 - 2 - HA ALA 63 - HD3 ARG 23 lone 2 61 - 4 - HA ALA 63 - HD2 ARG 23 lone 2 61 - 4 - HA ARG 26 - HD2 ARG 82 lone 2 94 - 2 - HA VAL 90 - HD2 ARG 84 lone 2 99 - 2 - HA VAL 90 - HD3 ARG 84 lone 2 98 - 2 - HA GLU 25 - HD3 ARG 23 lone 1 62 - 2 - HA GLU 25 - HD2 ARG 23 lone 1 62 - 2 - HA ALA 63 - HD2 ARG 82 lone 1 86 - 1 - HA GLU 25 - HD2 ARG 82 lone 1 88 - 1 - HA VAL 90 - HD2 ARG 82 lone 1 96 - 1 - HA VAL 90 - HD2 ARG 17 lone 1 83 - 1 - HA VAL 90 - HD3 ARG 17 lone 1 83 - 1 - HA VAL 90 - HD2 ARG 27 lone 1 60 - 1 - HA VAL 90 - HD3 ARG 27 lone 1 60 - 1 - HA VAL 90 - HD3 ARG 23 lone 1 71 - 1 - HA VAL 90 - HD2 ARG 23 lone 1 71 - 1 - Peak 2938 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.28 A): 12 out of 140 assignments used, quality = 1.00: * HB2 ARG 71 + HD2 ARG 71 OK 87 100 - 87 - 3.5=81, 1157/3.0=4...(18) HB3 ARG 71 + HD2 ARG 71 OK 87 100 - 87 - 3.5=81, 1157/3.0=4...(18) HB2 ARG 17 + HD2 ARG 17 OK 65 74 - 88 - 3.6=77, 1161/1.8=5...(26) HB2 ARG 17 + HD3 ARG 17 OK 65 74 - 88 - 3.6=77, 1161/1.8=5...(26) HB3 ARG 23 + HD3 ARG 23 OK 63 70 - 90 - 3.5=81, 1287/2.9=10...(24) HB3 ARG 23 + HD2 ARG 23 OK 63 70 - 90 - 3.5=81, 1287/2.9=10...(24) HB2 ARG 23 + HD2 ARG 23 OK 62 69 - 90 - 3.5=81, 1287/2.9=10...(24) HB2 ARG 23 + HD3 ARG 23 OK 62 69 - 90 - 3.5=81, 1287/2.9=10...(24) HB2 ARG 27 + HD2 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB2 ARG 27 + HD3 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB3 ARG 27 + HD3 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB3 ARG 27 + HD2 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB2 ARG 71 - HD2 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB2 ARG 71 - HD3 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB3 ARG 71 - HD2 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB3 ARG 71 - HD3 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB2 ARG 26 - HD2 ARG 71 OK 22 65 - 34 - ~2929=2, 2931/3.0=2...(10) HB3 ARG 26 - HD2 ARG 71 OK 21 63 - 34 - ~2929=2, 3.0/2937=2...(10) HB2 ARG 27 - HD2 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB2 ARG 27 - HD3 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB3 ARG 27 - HD3 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB3 ARG 27 - HD2 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB2 ARG 17 - HD2 ARG 71 OK 16 95 - 18 - 2930/3.0=2, ~1149=1...(4) HB2 ARG 27 - HD2 ARG 71 OK 13 100 - 13 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 OK 13 100 - 13 - 2930/3.0=1 HB2 ARG 71 - HD2 ARG 84 OK 13 99 - 13 - 2.8/2934=1 HB3 ARG 71 - HD2 ARG 84 OK 13 99 - 13 - 2.8/2934=1 HB2 ARG 71 - HD3 ARG 84 OK 13 98 - 13 - 2.8/2934=1 HB3 ARG 71 - HD3 ARG 84 OK 13 98 - 13 - 2.8/2934=1 HB2 ARG 66 - HD2 ARG 71 OK 12 76 - 16 - 2931/3.0=1 HB2 ARG 17 - HD2 ARG 84 OK 12 92 - 13 - HB2 ARG 71 - HD3 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB2 ARG 71 - HD2 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB3 ARG 71 - HD2 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB2 ARG 17 - HD3 ARG 84 OK 11 91 - 13 - HB2 ARG 27 - HD2 ARG 17 OK 11 83 - 13 - HB2 ARG 27 - HD3 ARG 17 OK 11 83 - 13 - HB3 ARG 27 - HD3 ARG 17 OK 11 83 - 13 - HB3 ARG 27 - HD2 ARG 17 OK 11 83 - 13 - HB2 ARG 71 - HD3 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB2 ARG 71 - HD2 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 71 - HD3 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 71 - HD2 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 23 - HD2 ARG 27 poor 9 59 - 15 - 3.0/1291=1 HB3 ARG 23 - HD3 ARG 27 poor 9 59 - 15 - 3.0/1291=1 HB2 ARG 23 - HD2 ARG 27 poor 9 58 - 15 - 3.0/1291=1 HB2 ARG 23 - HD3 ARG 27 poor 9 58 - 15 - 3.0/1291=1 HB2 ARG 17 - HD3 ARG 27 poor 8 52 - 16 - HB2 ARG 17 - HD2 ARG 27 poor 8 52 - 16 - HB3 PRO 34 - HD2 ARG 71 lone 7 81 - 9 - 2931/3.0=1 HB2 ARG 17 - HD2 ARG 23 poor 7 62 - 11 - HB2 ARG 17 - HD3 ARG 23 poor 7 62 - 11 - HB3 ARG 23 - HD2 ARG 17 lone 7 81 - 8 - HB3 ARG 23 - HD3 ARG 17 lone 7 81 - 8 - HB2 ARG 23 - HD3 ARG 17 lone 7 81 - 8 - HB2 ARG 23 - HD2 ARG 17 lone 7 81 - 8 - HB2 ARG 26 - HD2 ARG 17 poor 6 47 - 13 - HB2 ARG 26 - HD3 ARG 17 poor 6 47 - 13 - HB3 ARG 26 - HD3 ARG 17 poor 6 45 - 13 - HB3 ARG 26 - HD2 ARG 17 poor 6 45 - 13 - HB2 ARG 26 - HD3 ARG 27 poor 6 32 - 19 - 62/6.3=1 HB2 ARG 26 - HD2 ARG 27 poor 6 32 - 19 - 62/6.3=1 HB3 ARG 23 - HD2 ARG 71 lone 6 100 - 6 - HB2 ARG 23 - HD2 ARG 71 lone 6 99 - 6 - HB3 ARG 26 - HD3 ARG 27 poor 6 31 - 19 - 62/6.3=1 HB3 ARG 26 - HD2 ARG 27 poor 6 31 - 19 - 62/6.3=1 HB2 LYS 39 - HD2 ARG 23 lone 5 71 - 7 - 1846/2.9=1 HB2 LYS 39 - HD3 ARG 23 lone 5 71 - 7 - 1846/2.9=1 HB2 LYS 39 - HD2 ARG 84 lone 5 99 - 5 - HB2 LYS 39 - HD3 ARG 84 lone 5 98 - 5 - HB3 ARG 23 - HD2 ARG 82 lone 4 95 - 5 - HB2 ARG 23 - HD2 ARG 82 lone 4 94 - 5 - HB2 ARG 26 - HD2 ARG 84 lone 3 63 - 5 - HB2 ARG 26 - HD3 ARG 84 lone 3 61 - 5 - HB3 ARG 26 - HD2 ARG 84 lone 3 60 - 5 - HB2 ARG 66 - HD2 ARG 23 lone 3 46 - 7 - HB2 ARG 66 - HD3 ARG 23 lone 3 46 - 7 - HB3 ARG 26 - HD3 ARG 84 lone 3 59 - 5 - HB2 LYS 75 - HD2 ARG 71 lone 3 97 - 3 - HB2 ARG 26 - HD3 ARG 23 lone 3 39 - 6 - HB2 ARG 26 - HD2 ARG 23 lone 3 39 - 6 - HB ILE 89 - HD2 ARG 84 lone 2 58 - 4 - HB3 ARG 26 - HD3 ARG 23 lone 2 37 - 7 - HB3 ARG 26 - HD2 ARG 23 lone 2 37 - 7 - HB2 ARG 27 - HD2 ARG 84 lone 2 99 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 99 - 2 - HB2 ARG 66 - HD3 ARG 27 lone 2 38 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 2 38 - 6 - HB ILE 89 - HD3 ARG 84 lone 2 56 - 4 - HB2 ARG 27 - HD3 ARG 84 lone 2 98 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 98 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 98 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 98 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 97 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 2 97 - 2 - HB2 LYS 75 - HD2 ARG 84 lone 2 95 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 66 - 3 - HB2 LYS 75 - HD2 ARG 23 lone 2 66 - 3 - HB2 LYS 75 - HD3 ARG 84 lone 2 94 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 2 96 - 2 - HB2 ARG 66 - HD2 ARG 17 lone 2 56 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 56 - 3 - HB2 ARG 71 - HD2 ARG 82 lone 2 96 - 2 - HB3 ARG 71 - HD2 ARG 82 lone 2 96 - 2 - HB2 LYS 39 - HD2 ARG 71 lone 2 100 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 2 83 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 83 - 2 - HB3 PRO 34 - HD2 ARG 84 lone 1 78 - 2 - HB3 PRO 34 - HD2 ARG 82 lone 1 73 - 2 - HB3 PRO 34 - HD3 ARG 84 lone 1 76 - 2 - HB2 ARG 27 - HD2 ARG 82 lone 1 96 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 96 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 88 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 91 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 77 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 77 - 1 - HB ILE 89 - HD2 ARG 17 lone 1 43 - 2 - HB ILE 89 - HD3 ARG 17 lone 1 43 - 2 - HB ILE 89 - HD2 ARG 71 lone 1 60 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 1 73 - 1 - HB ILE 89 - HD2 ARG 27 lone 1 29 - 3 - HB ILE 89 - HD3 ARG 27 lone 1 29 - 3 - HB2 ARG 66 - HD3 ARG 84 lone 1 72 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 60 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 60 - 1 - HB3 PRO 34 - HD2 ARG 27 lone 1 42 - 2 - HB3 PRO 34 - HD3 ARG 27 lone 1 42 - 2 - HB3 PRO 34 - HD3 ARG 23 lone 1 50 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 50 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 60 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 60 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 54 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 1 68 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 1 59 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 1 56 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 35 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 35 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 0 55 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 0 55 - 1 - Peak 2939 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.28 A): 12 out of 130 assignments used, quality = 1.00: HB2 ARG 71 + HD2 ARG 71 OK 87 100 - 87 - 3.5=81, 1157/3.0=4...(18) * HB3 ARG 71 + HD2 ARG 71 OK 87 100 - 87 - 3.5=81, 1157/3.0=4...(18) HB2 ARG 17 + HD2 ARG 17 OK 64 72 - 88 - 3.6=77, 1161/1.8=5...(26) HB2 ARG 17 + HD3 ARG 17 OK 64 72 - 88 - 3.6=77, 1161/1.8=5...(26) HB3 ARG 23 + HD3 ARG 23 OK 62 69 - 90 - 3.5=81, 1287/2.9=10...(24) HB3 ARG 23 + HD2 ARG 23 OK 62 69 - 90 - 3.5=81, 1287/2.9=10...(24) HB2 ARG 23 + HD2 ARG 23 OK 62 68 - 90 - 3.5=81, 1287/2.9=10...(24) HB2 ARG 23 + HD3 ARG 23 OK 62 68 - 90 - 3.5=81, 1287/2.9=10...(24) HB3 ARG 27 + HD3 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB3 ARG 27 + HD2 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB2 ARG 27 + HD3 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB2 ARG 27 + HD2 ARG 27 OK 54 60 - 89 - 3.5=80, 1449/3.0=3...(29) HB2 ARG 71 - HD2 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB2 ARG 71 - HD3 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB3 ARG 71 - HD3 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB3 ARG 71 - HD2 ARG 17 OK 24 83 - 29 - 2.8/2934=2, ~2934=2...(7) HB2 ARG 26 - HD2 ARG 71 OK 23 68 - 34 - ~2929=2, 2931/3.0=2...(10) HB3 ARG 26 - HD2 ARG 71 OK 22 65 - 34 - ~2929=2, 3.0/2937=2...(10) HB3 ARG 27 - HD2 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB3 ARG 27 - HD3 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB2 ARG 27 - HD3 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB2 ARG 27 - HD2 ARG 23 OK 19 71 - 28 - 1287/2.9=3, ~1285=2...(8) HB2 ARG 17 - HD2 ARG 71 OK 16 93 - 18 - 2930/3.0=2, ~1149=1...(4) HB2 ARG 27 - HD2 ARG 71 OK 13 100 - 13 - 2930/3.0=1 HB3 ARG 27 - HD2 ARG 71 OK 13 100 - 13 - 2930/3.0=1 HB2 ARG 71 - HD2 ARG 84 OK 13 99 - 13 - 2.8/2934=1 HB3 ARG 71 - HD2 ARG 84 OK 13 99 - 13 - 2.8/2934=1 HB2 ARG 71 - HD3 ARG 84 OK 13 98 - 13 - 2.8/2934=1 HB3 ARG 71 - HD3 ARG 84 OK 13 98 - 13 - 2.8/2934=1 HB2 ARG 66 - HD2 ARG 71 OK 12 78 - 16 - 2931/3.0=1 HB3 ARG 71 - HD2 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB3 ARG 71 - HD3 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB2 ARG 71 - HD2 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB2 ARG 71 - HD3 ARG 23 OK 12 71 - 16 - 1287/2.9=1, 2.8/2934=1 HB2 ARG 17 - HD2 ARG 84 OK 11 91 - 13 - HB2 ARG 17 - HD3 ARG 84 OK 11 89 - 13 - HB2 ARG 27 - HD2 ARG 17 OK 11 83 - 13 - HB2 ARG 27 - HD3 ARG 17 OK 11 83 - 13 - HB3 ARG 27 - HD2 ARG 17 OK 11 83 - 13 - HB3 ARG 27 - HD3 ARG 17 OK 11 83 - 13 - HB2 ARG 71 - HD3 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB2 ARG 71 - HD2 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 71 - HD3 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 71 - HD2 ARG 27 OK 11 60 - 18 - 2.8/2934=1 HB3 ARG 23 - HD2 ARG 27 poor 9 58 - 15 - 3.0/1290=1 HB3 ARG 23 - HD3 ARG 27 poor 9 58 - 15 - 3.0/1290=1 HB2 ARG 23 - HD3 ARG 27 poor 9 58 - 15 - 3.0/1291=1 HB2 ARG 23 - HD2 ARG 27 poor 9 58 - 15 - 3.0/1291=1 HB2 ARG 17 - HD3 ARG 27 poor 8 51 - 16 - HB2 ARG 17 - HD2 ARG 27 poor 8 51 - 16 - HB3 PRO 34 - HD2 ARG 71 lone 7 83 - 9 - 2931/3.0=1 HB3 ARG 23 - HD3 ARG 17 lone 7 81 - 8 - HB3 ARG 23 - HD2 ARG 17 lone 7 81 - 8 - HB2 ARG 17 - HD2 ARG 23 poor 7 61 - 11 - HB2 ARG 17 - HD3 ARG 23 poor 7 61 - 11 - HB2 ARG 23 - HD2 ARG 17 lone 7 80 - 8 - HB2 ARG 23 - HD3 ARG 17 lone 7 80 - 8 - HB2 ARG 26 - HD3 ARG 17 poor 7 50 - 13 - HB2 ARG 26 - HD2 ARG 17 poor 7 50 - 13 - HB3 ARG 26 - HD3 ARG 17 poor 6 47 - 13 - HB3 ARG 26 - HD2 ARG 17 poor 6 47 - 13 - HB2 ARG 26 - HD3 ARG 27 poor 6 34 - 19 - 62/6.3=1 HB2 ARG 26 - HD2 ARG 27 poor 6 34 - 19 - 62/6.3=1 HB3 ARG 26 - HD2 ARG 27 poor 6 32 - 19 - 62/6.3=1 HB3 ARG 26 - HD3 ARG 27 poor 6 32 - 19 - 62/6.3=1 HB3 ARG 23 - HD2 ARG 71 lone 6 99 - 6 - HB2 ARG 23 - HD2 ARG 71 lone 6 99 - 6 - HB2 LYS 39 - HD3 ARG 23 lone 5 71 - 7 - 1846/2.9=1 HB2 LYS 39 - HD2 ARG 23 lone 5 71 - 7 - 1846/2.9=1 HB2 LYS 39 - HD2 ARG 84 lone 5 99 - 5 - HB2 LYS 39 - HD3 ARG 84 lone 5 98 - 5 - HB3 ARG 23 - HD2 ARG 82 lone 4 94 - 5 - HB2 ARG 23 - HD2 ARG 82 lone 4 94 - 5 - HB2 ARG 26 - HD2 ARG 84 lone 4 66 - 5 - HB2 ARG 26 - HD3 ARG 84 lone 3 64 - 5 - HB3 ARG 26 - HD2 ARG 84 lone 3 63 - 5 - HB2 ARG 66 - HD3 ARG 23 lone 3 48 - 7 - HB2 ARG 66 - HD2 ARG 23 lone 3 48 - 7 - HB3 ARG 26 - HD3 ARG 84 lone 3 61 - 5 - HB2 ARG 26 - HD3 ARG 23 lone 3 41 - 7 - HB2 ARG 26 - HD2 ARG 23 lone 3 41 - 7 - HB2 LYS 75 - HD2 ARG 71 lone 3 97 - 3 - HB3 ARG 26 - HD2 ARG 23 lone 3 39 - 7 - HB3 ARG 26 - HD3 ARG 23 lone 3 39 - 7 - HB2 ARG 66 - HD3 ARG 27 lone 3 40 - 6 - HB2 ARG 66 - HD2 ARG 27 lone 3 40 - 6 - HB2 ARG 27 - HD2 ARG 84 lone 2 99 - 2 - HB3 ARG 27 - HD2 ARG 84 lone 2 99 - 2 - HB2 ARG 27 - HD3 ARG 84 lone 2 98 - 2 - HB3 ARG 27 - HD3 ARG 84 lone 2 98 - 2 - HB3 ARG 23 - HD2 ARG 84 lone 2 98 - 2 - HB2 ARG 23 - HD2 ARG 84 lone 2 97 - 2 - HB3 ARG 23 - HD3 ARG 84 lone 2 97 - 2 - HB2 ARG 23 - HD3 ARG 84 lone 2 96 - 2 - HB2 ARG 66 - HD2 ARG 17 lone 2 58 - 3 - HB2 ARG 66 - HD3 ARG 17 lone 2 58 - 3 - HB2 LYS 75 - HD2 ARG 84 lone 2 94 - 2 - HB2 LYS 39 - HD2 ARG 82 lone 2 96 - 2 - HB2 LYS 75 - HD3 ARG 23 lone 2 65 - 3 - HB2 LYS 75 - HD2 ARG 23 lone 2 65 - 3 - HB2 LYS 75 - HD3 ARG 84 lone 2 93 - 2 - HB2 ARG 71 - HD2 ARG 82 lone 2 96 - 2 - HB3 ARG 71 - HD2 ARG 82 lone 2 96 - 2 - HB2 LYS 39 - HD2 ARG 71 lone 2 100 - 2 - HB2 LYS 39 - HD3 ARG 17 lone 2 83 - 2 - HB2 LYS 39 - HD2 ARG 17 lone 2 83 - 2 - HB3 PRO 34 - HD2 ARG 84 lone 1 80 - 2 - HB3 PRO 34 - HD2 ARG 82 lone 1 75 - 2 - HB3 PRO 34 - HD3 ARG 84 lone 1 78 - 2 - HB2 ARG 27 - HD2 ARG 82 lone 1 96 - 1 - HB3 ARG 27 - HD2 ARG 82 lone 1 96 - 1 - HB2 ARG 17 - HD2 ARG 82 lone 1 86 - 1 - HB2 LYS 75 - HD2 ARG 82 lone 1 90 - 1 - HB2 LYS 75 - HD2 ARG 17 lone 1 76 - 1 - HB2 LYS 75 - HD3 ARG 17 lone 1 76 - 1 - HB2 ARG 66 - HD2 ARG 84 lone 1 76 - 1 - HB2 ARG 66 - HD3 ARG 84 lone 1 74 - 1 - HB3 PRO 34 - HD2 ARG 17 lone 1 62 - 1 - HB3 PRO 34 - HD3 ARG 17 lone 1 62 - 1 - HB3 PRO 34 - HD3 ARG 27 lone 1 43 - 2 - HB3 PRO 34 - HD2 ARG 27 lone 1 43 - 2 - HB3 PRO 34 - HD3 ARG 23 lone 1 52 - 1 - HB3 PRO 34 - HD2 ARG 23 lone 1 52 - 1 - HB2 LYS 39 - HD2 ARG 27 lone 1 60 - 1 - HB2 LYS 39 - HD3 ARG 27 lone 1 60 - 1 - HB2 ARG 66 - HD2 ARG 82 lone 1 71 - 1 - HB2 ARG 26 - HD2 ARG 82 lone 1 61 - 1 - HB3 ARG 26 - HD2 ARG 82 lone 1 59 - 1 - HB2 LYS 75 - HD2 ARG 27 lone 0 54 - 1 - HB2 LYS 75 - HD3 ARG 27 lone 0 54 - 1 - Peak 2940 from cnoeabs.peaks (1.62, 3.14, 43.10 ppm; 3.03 A): 13 out of 160 assignments used, quality = 1.00: * HG2 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 3.0=100 HG3 ARG 17 + HD2 ARG 17 OK 83 83 - 100 - 3.0=100 HG3 ARG 17 + HD3 ARG 17 OK 83 83 - 100 - 3.0=100 HG2 ARG 17 + HD2 ARG 17 OK 83 83 - 100 - 3.0=100 HG2 ARG 17 + HD3 ARG 17 OK 83 83 - 100 - 3.0=100 HG2 ARG 84 + HD2 ARG 84 OK 66 66 - 100 - 2.9=100 HG3 ARG 84 + HD2 ARG 84 OK 66 66 - 100 - 2.9=100 HG3 ARG 84 + HD3 ARG 84 OK 64 64 - 100 - 2.9=100 HG2 ARG 84 + HD3 ARG 84 OK 64 64 - 100 - 2.9=100 HG2 ARG 27 + HD2 ARG 27 OK 53 53 - 100 - 3.0=100 HG2 ARG 27 + HD3 ARG 27 OK 53 53 - 100 - 3.0=100 HG3 ARG 27 + HD2 ARG 27 OK 52 52 - 100 - 3.0=100 HG3 ARG 27 + HD3 ARG 27 OK 52 52 - 100 - 3.0=100 HG2 ARG 26 - HD2 ARG 71 OK 21 100 - 22 - 2932/3.0=3, ~1394=2...(7) HG3 ARG 17 - HD2 ARG 71 OK 17 100 - 18 - 2932/3.0=2, 2878/1.8=1, ~2932=1 HG2 ARG 71 - HD2 ARG 17 OK 17 83 - 21 - 1.8/2934=2, ~2934=2...(5) HG2 ARG 71 - HD3 ARG 17 OK 17 83 - 21 - 1.8/2934=2, ~2934=2...(5) HG2 ARG 17 - HD2 ARG 71 OK 17 100 - 18 - 2932/3.0=2, 2878/1.8=1, ~2932=1 HG3 ARG 70 - HD2 ARG 71 OK 14 99 - 14 - 2932/3.0=2, 5.0/6137=1...(5) HD3 LYS 32 - HD2 ARG 71 OK 11 99 - 11 - 2932/3.0=1 HD2 LYS 32 - HD2 ARG 71 OK 11 98 - 11 - 2932/3.0=1 HG2 ARG 71 - HD2 ARG 84 lone 10 99 - 10 - 1.8/2934=1 HG2 ARG 27 - HD2 ARG 71 poor 10 96 - 10 - 2932/3.0=1 HG2 ARG 71 - HD3 ARG 84 lone 10 98 - 10 - 1.8/2934=1 HG3 ARG 27 - HD2 ARG 71 poor 10 95 - 10 - 2932/3.0=1 HG2 ARG 26 - HD3 ARG 17 poor 8 83 - 10 - HG2 ARG 26 - HD2 ARG 17 poor 8 83 - 10 - HG2 ARG 27 - HD2 ARG 23 poor 8 63 - 13 - HG2 ARG 27 - HD3 ARG 23 poor 8 63 - 13 - HG3 ARG 27 - HD2 ARG 23 poor 8 62 - 13 - HG3 ARG 27 - HD3 ARG 23 poor 8 62 - 13 - HG2 ARG 71 - HD2 ARG 27 poor 8 60 - 13 - 1.8/2934=1 HG2 ARG 71 - HD3 ARG 27 poor 8 60 - 13 - 1.8/2934=1 HG2 ARG 26 - HD3 ARG 27 poor 7 60 - 13 - HG2 ARG 26 - HD2 ARG 27 poor 7 60 - 13 - HG2 ARG 71 - HD3 ARG 23 poor 7 71 - 10 - 1.8/2934=1 HG2 ARG 71 - HD2 ARG 23 poor 7 71 - 10 - 1.8/2934=1 HG3 ARG 17 - HD2 ARG 84 lone 7 99 - 7 - HG2 ARG 17 - HD2 ARG 84 lone 7 99 - 7 - HG3 ARG 17 - HD3 ARG 84 lone 7 98 - 7 - HG2 ARG 17 - HD3 ARG 84 lone 7 98 - 7 - HD3 LYS 73 - HD2 ARG 71 lone 6 98 - 7 - HD2 LYS 73 - HD2 ARG 71 lone 6 98 - 7 - HG2 ARG 27 - HD3 ARG 17 lone 5 75 - 7 - HG2 ARG 27 - HD2 ARG 17 lone 5 75 - 7 - HG3 ARG 17 - HD2 ARG 27 lone 5 60 - 9 - HG3 ARG 17 - HD3 ARG 27 lone 5 60 - 9 - HG2 ARG 17 - HD2 ARG 27 lone 5 60 - 9 - HG2 ARG 17 - HD3 ARG 27 lone 5 60 - 9 - HG3 ARG 27 - HD3 ARG 17 lone 5 74 - 7 - HG3 ARG 27 - HD2 ARG 17 lone 5 74 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 5 71 - 7 - HG3 ARG 17 - HD2 ARG 23 lone 5 71 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 5 71 - 7 - HG2 ARG 17 - HD3 ARG 23 lone 5 71 - 7 - HG2 ARG 84 - HD2 ARG 71 lone 5 68 - 7 - HG3 ARG 84 - HD2 ARG 71 lone 5 68 - 7 - HB2 LEU 86 - HD3 ARG 17 lone 4 81 - 5 - HB2 LEU 86 - HD2 ARG 17 lone 4 81 - 5 - HG2 ARG 84 - HD2 ARG 17 lone 4 50 - 8 - HG3 ARG 84 - HD3 ARG 17 lone 4 50 - 8 - HG3 ARG 84 - HD2 ARG 17 lone 4 50 - 8 - HG2 ARG 84 - HD3 ARG 17 lone 4 50 - 8 - HD3 LYS 32 - HD2 ARG 84 lone 4 97 - 4 - HD3 LYS 32 - HD3 ARG 84 lone 4 96 - 4 - HD2 LYS 32 - HD2 ARG 84 lone 4 96 - 4 - HD2 LYS 32 - HD3 ARG 84 lone 4 95 - 4 - HD2 LYS 73 - HD2 ARG 84 lone 4 96 - 4 - HD3 LYS 73 - HD2 ARG 84 lone 4 96 - 4 - HD2 LYS 73 - HD3 ARG 84 lone 4 95 - 4 - HD3 LYS 73 - HD3 ARG 84 lone 4 95 - 4 - HG2 ARG 26 - HD2 ARG 84 lone 3 99 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 3 98 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 3 98 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 3 97 - 3 - HG3 ARG 70 - HD2 ARG 84 lone 3 97 - 3 - HG2 ARG 26 - HD3 ARG 23 lone 3 71 - 4 - HG2 ARG 26 - HD2 ARG 23 lone 3 71 - 4 - HG3 ARG 70 - HD3 ARG 84 lone 3 96 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 3 100 - 3 - HG3 ARG 70 - HD3 ARG 17 lone 2 80 - 3 - HG3 ARG 70 - HD2 ARG 17 lone 2 80 - 3 - HD3 LYS 32 - HD2 ARG 17 lone 2 80 - 3 - HD3 LYS 32 - HD3 ARG 17 lone 2 80 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 78 - 3 - HD2 LYS 32 - HD2 ARG 17 lone 2 78 - 3 - HG LEU 86 - HD2 ARG 17 lone 2 60 - 3 - HG LEU 86 - HD3 ARG 17 lone 2 60 - 3 - HG LEU 86 - HD2 ARG 71 lone 2 81 - 2 - HG LEU 86 - HD2 ARG 84 lone 2 78 - 2 - HG LEU 86 - HD3 ARG 84 lone 2 76 - 2 - HD3 LYS 73 - HD3 ARG 17 lone 2 78 - 2 - HD3 LYS 73 - HD2 ARG 17 lone 2 78 - 2 - HD2 LYS 73 - HD2 ARG 17 lone 2 78 - 2 - HD2 LYS 73 - HD3 ARG 17 lone 2 78 - 2 - HG2 ARG 71 - HD2 ARG 82 lone 1 96 - 2 - HG2 ARG 27 - HD2 ARG 84 lone 1 93 - 1 - HG3 ARG 27 - HD2 ARG 84 lone 1 92 - 1 - HG2 ARG 27 - HD3 ARG 84 lone 1 92 - 1 - HG3 ARG 27 - HD3 ARG 84 lone 1 91 - 1 - HG3 ARG 70 - HD3 ARG 27 lone 1 58 - 2 - HG3 ARG 70 - HD2 ARG 27 lone 1 58 - 2 - HB3 LEU 51 - HD2 ARG 84 lone 1 80 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 92 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 92 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 70 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 70 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 78 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 94 - 1 - HG2 ARG 84 - HD2 ARG 23 lone 1 41 - 3 - HG2 ARG 84 - HD3 ARG 23 lone 1 41 - 3 - HG3 ARG 84 - HD3 ARG 23 lone 1 41 - 3 - HG3 ARG 84 - HD2 ARG 23 lone 1 41 - 3 - HD3 LYS 32 - HD2 ARG 27 lone 1 58 - 2 - HD3 LYS 32 - HD3 ARG 27 lone 1 58 - 2 - HD2 LYS 32 - HD2 ARG 82 lone 1 92 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 96 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 96 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 56 - 2 - HD2 LYS 32 - HD2 ARG 27 lone 1 56 - 2 - HB2 LEU 86 - HD2 ARG 27 lone 1 59 - 2 - HB2 LEU 86 - HD3 ARG 27 lone 1 59 - 2 - HG2 ARG 84 - HD2 ARG 82 lone 1 61 - 2 - HG3 ARG 84 - HD2 ARG 82 lone 1 61 - 2 - HB3 LEU 51 - HD2 ARG 71 lone 1 83 - 1 - HG3 ARG 84 - HD3 ARG 27 lone 1 34 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 1 34 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 1 34 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 1 34 - 2 - HG2 ARG 26 - HD2 ARG 82 lone 1 96 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 67 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 67 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 67 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 67 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 94 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 50 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 50 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 68 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 68 - 1 - HG2 ARG 27 - HD2 ARG 82 lone 1 89 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 68 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 68 - 1 - HG3 ARG 27 - HD2 ARG 82 lone 1 88 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 67 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 67 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 42 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 42 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 1 56 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 1 56 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 1 56 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 1 56 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 0 75 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 95 - 0 - HB3 LEU 51 - HD2 ARG 17 lone 0 62 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 0 62 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 73 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 52 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 0 52 - 1 - HB3 LEU 51 - HD3 ARG 27 lone 0 43 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 43 - 0 - Peak 2941 from cnoeabs.peaks (1.75, 3.14, 43.10 ppm; 3.11 A): 6 out of 160 assignments used, quality = 1.00: * HG3 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 63 79 - 80 - 3.6=65, 1167/3.0=5...(17) HB3 ARG 17 + HD2 ARG 17 OK 63 79 - 80 - 3.6=65, 1167/3.0=5...(17) HB3 ARG 82 + HD2 ARG 82 OK 60 86 - 70 - 3.6=62, 5479/3.0=9...(7) HB2 ARG 84 + HD2 ARG 84 OK 55 68 - 81 - 3.5=70, 1.8/3410=7...(14) HB2 ARG 84 + HD3 ARG 84 OK 54 67 - 81 - 3.5=70, 1.8/3410=7...(14) HG3 ARG 26 - HD2 ARG 71 OK 27 100 - 27 - 1394/3.0=4, 1391/4.7=3...(10) HG3 ARG 71 - HD2 ARG 17 OK 21 83 - 26 - 2934=3, 2934/1.8=2...(8) HG3 ARG 71 - HD3 ARG 17 OK 21 83 - 26 - 2934=3, 2934/1.8=2...(8) HB3 ARG 17 - HD2 ARG 71 OK 18 99 - 19 - 1164/3.5=2, 1164/3.5=2...(6) HG3 ARG 26 - HD3 ARG 17 OK 11 82 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 26 - HD2 ARG 17 OK 11 82 - 13 - 1394/3.0=2, 1394/3.0=2...(4) HG3 ARG 71 - HD2 ARG 84 OK 11 99 - 11 - 2934=1, 2934/1.8=1 HG3 ARG 71 - HD3 ARG 84 OK 10 98 - 11 - 2934=1, 2934/1.8=1 HG2 PRO 34 - HD2 ARG 71 OK 10 99 - 11 - 1723/3.5=2, 1723/3.5=1 HG3 ARG 26 - HD2 ARG 27 poor 10 60 - 17 - 1394/3.0=2, 1394/3.0=2...(6) HG3 ARG 26 - HD3 ARG 27 poor 10 60 - 17 - 1394/3.0=2, 1394/3.0=2...(6) HG3 ARG 71 - HD2 ARG 27 poor 10 60 - 16 - 2932/3.0=1, 2932/3.0=1...(7) HG3 ARG 71 - HD3 ARG 27 poor 10 60 - 16 - 2932/3.0=1, 2932/3.0=1...(7) HB3 ARG 17 - HD2 ARG 84 lone 9 97 - 9 - HB3 ARG 17 - HD3 ARG 84 lone 9 96 - 9 - HG3 ARG 71 - HD3 ARG 23 poor 8 71 - 12 - 2934=1, 2934/1.8=1 HG3 ARG 71 - HD2 ARG 23 poor 8 71 - 12 - 2934=1, 2934/1.8=1 HB3 ARG 17 - HD3 ARG 27 poor 8 57 - 15 - HB3 ARG 17 - HD2 ARG 27 poor 8 57 - 15 - HB3 LYS 32 - HD2 ARG 71 lone 7 78 - 9 - HB2 LYS 32 - HD2 ARG 71 lone 7 78 - 9 - HB3 ARG 82 - HD2 ARG 23 poor 7 61 - 11 - 1.8/5889=2, ~5889=1, ~5480=1 HB3 ARG 82 - HD3 ARG 23 poor 7 61 - 11 - 1.8/5889=2, ~5889=1, ~5480=1 HB3 ARG 17 - HD3 ARG 23 lone 6 68 - 9 - HB3 ARG 17 - HD2 ARG 23 lone 6 68 - 9 - HB2 ARG 84 - HD3 ARG 17 poor 5 52 - 10 - HB2 ARG 84 - HD2 ARG 17 poor 5 52 - 10 - HB3 LYS 73 - HD2 ARG 84 lone 5 66 - 8 - HB2 LEU 62 - HD2 ARG 71 lone 5 100 - 5 - HB3 LYS 73 - HD3 ARG 84 lone 5 64 - 8 - HB2 PRO 34 - HD2 ARG 71 lone 5 63 - 8 - HB2 ARG 84 - HD2 ARG 71 lone 5 71 - 6 - HB3 ARG 82 - HD2 ARG 84 lone 4 91 - 4 - HG3 ARG 26 - HD2 ARG 84 lone 4 99 - 4 - HB3 ARG 82 - HD3 ARG 84 lone 4 89 - 4 - HB3 LYS 85 - HD2 ARG 84 lone 4 58 - 7 - HG3 ARG 26 - HD3 ARG 84 lone 4 98 - 4 - HB3 LYS 85 - HD3 ARG 84 lone 4 56 - 7 - HB2 LEU 62 - HD2 ARG 84 lone 4 98 - 4 - HB2 LYS 32 - HD2 ARG 84 lone 4 76 - 5 - HB3 LYS 32 - HD2 ARG 84 lone 4 76 - 5 - HB2 LEU 62 - HD3 ARG 84 lone 4 97 - 4 - HB2 LYS 32 - HD3 ARG 84 lone 4 74 - 5 - HB3 LYS 32 - HD3 ARG 84 lone 4 74 - 5 - HB3 LYS 73 - HD2 ARG 71 lone 3 68 - 5 - HG3 ARG 26 - HD3 ARG 23 lone 3 70 - 5 - HG3 ARG 26 - HD2 ARG 23 lone 3 70 - 5 - HB2 ARG 54 - HD2 ARG 82 lone 3 86 - 4 - HB3 ARG 82 - HD2 ARG 71 lone 2 93 - 2 - HG2 PRO 34 - HD2 ARG 82 lone 2 93 - 2 - HB2 LEU 62 - HD2 ARG 17 lone 2 81 - 3 - HB2 LEU 62 - HD3 ARG 17 lone 2 81 - 3 - HG3 ARG 71 - HD2 ARG 82 lone 2 96 - 2 - HB3 ARG 82 - HD3 ARG 17 lone 2 72 - 3 - HB3 ARG 82 - HD2 ARG 17 lone 2 72 - 3 - HB3 LYS 73 - HD2 ARG 82 lone 2 61 - 3 - HB2 ARG 54 - HD2 ARG 84 lone 2 91 - 2 - HB2 LYS 32 - HD2 ARG 17 lone 2 58 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 58 - 3 - HB3 LYS 32 - HD3 ARG 17 lone 2 58 - 3 - HB2 LYS 32 - HD3 ARG 17 lone 2 58 - 3 - HB2 ARG 54 - HD3 ARG 84 lone 2 89 - 2 - HG2 PRO 34 - HD3 ARG 27 lone 2 57 - 3 - HG2 PRO 34 - HD2 ARG 27 lone 2 57 - 3 - HB3 LYS 32 - HD2 ARG 82 lone 2 71 - 2 - HB2 LYS 32 - HD2 ARG 82 lone 2 71 - 2 - HB2 LEU 62 - HD3 ARG 23 lone 1 70 - 2 - HB2 LEU 62 - HD2 ARG 23 lone 1 70 - 2 - HG2 PRO 34 - HD2 ARG 84 lone 1 97 - 1 - HG2 PRO 34 - HD3 ARG 84 lone 1 96 - 1 - HB2 ARG 84 - HD2 ARG 82 lone 1 64 - 2 - HB2 ARG 84 - HD3 ARG 23 lone 1 43 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 1 43 - 3 - HB2 ARG 54 - HD2 ARG 71 lone 1 93 - 1 - HB2 PRO 34 - HD2 ARG 82 lone 1 56 - 2 - HB3 LYS 73 - HD2 ARG 17 lone 1 50 - 2 - HB3 LYS 73 - HD3 ARG 17 lone 1 50 - 2 - HB3 ARG 17 - HD2 ARG 82 lone 1 93 - 1 - HB2 LEU 43 - HD2 ARG 84 lone 1 63 - 2 - HB3 LYS 85 - HD2 ARG 71 lone 1 60 - 2 - HB2 LEU 57 - HD2 ARG 71 lone 1 92 - 1 - HB2 LEU 43 - HD3 ARG 84 lone 1 61 - 2 - HB2 LEU 43 - HD2 ARG 71 lone 1 65 - 2 - HB2 ARG 84 - HD3 ARG 27 lone 1 35 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 1 35 - 3 - HG2 PRO 34 - HD3 ARG 17 lone 1 79 - 1 - HG2 PRO 34 - HD2 ARG 17 lone 1 79 - 1 - HG2 PRO 34 - HD3 ARG 23 lone 1 68 - 1 - HG2 PRO 34 - HD2 ARG 23 lone 1 68 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 1 95 - 1 - HB2 ARG 54 - HD2 ARG 23 lone 1 61 - 1 - HB2 ARG 54 - HD3 ARG 23 lone 1 61 - 1 - HB2 LEU 62 - HD2 ARG 27 lone 1 59 - 2 - HB2 LEU 62 - HD3 ARG 27 lone 1 59 - 2 - HB2 LEU 62 - HD2 ARG 82 lone 1 95 - 1 - HB3 ARG 82 - HD3 ARG 27 lone 1 51 - 2 - HB3 ARG 82 - HD2 ARG 27 lone 1 51 - 2 - HB ILE 33 - HD2 ARG 71 lone 1 89 - 1 - HB2 LYS 32 - HD3 ARG 27 lone 1 40 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 40 - 2 - HB3 LYS 32 - HD2 ARG 27 lone 1 40 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 40 - 2 - HB2 LEU 57 - HD2 ARG 82 lone 1 85 - 1 - HB ILE 33 - HD2 ARG 82 lone 1 81 - 1 - HB2 ARG 54 - HD2 ARG 17 lone 1 72 - 1 - HB2 ARG 54 - HD3 ARG 17 lone 1 72 - 1 - HB2 LEU 57 - HD3 ARG 23 lone 1 60 - 1 - HB2 LEU 57 - HD2 ARG 23 lone 1 60 - 1 - HB3 LYS 73 - HD2 ARG 23 lone 1 41 - 2 - HB3 LYS 73 - HD3 ARG 23 lone 1 41 - 2 - HB3 LYS 85 - HD3 ARG 17 lone 1 43 - 2 - HB3 LYS 85 - HD2 ARG 17 lone 1 43 - 2 - HB2 LEU 57 - HD2 ARG 84 lone 1 89 - 1 - HB2 LEU 57 - HD3 ARG 84 lone 1 88 - 1 - HB2 PRO 34 - HD2 ARG 84 lone 1 60 - 1 - HB2 PRO 34 - HD3 ARG 84 lone 1 59 - 1 - HB2 LEU 57 - HD2 ARG 17 lone 1 71 - 1 - HB2 LEU 57 - HD3 ARG 17 lone 1 71 - 1 - HB3 LYS 85 - HD2 ARG 82 lone 1 54 - 1 - HB2 PRO 34 - HD3 ARG 27 lone 1 31 - 2 - HB2 PRO 34 - HD2 ARG 27 lone 1 31 - 2 - HB ILE 33 - HD3 ARG 17 lone 0 68 - 1 - HB ILE 33 - HD2 ARG 17 lone 0 68 - 1 - HB2 LEU 57 - HD2 ARG 27 lone 0 50 - 1 - HB2 LEU 57 - HD3 ARG 27 lone 0 50 - 1 - HB ILE 33 - HD2 ARG 84 lone 0 86 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 0 48 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 0 48 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 0 48 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 0 48 - 1 - HB ILE 33 - HD3 ARG 84 lone 0 84 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 0 47 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 0 47 - 1 - HB2 PRO 34 - HD3 ARG 23 lone 0 37 - 1 - HB2 PRO 34 - HD2 ARG 23 lone 0 37 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 0 59 - 1 - HB ILE 33 - HD3 ARG 23 lone 0 57 - 1 - HB ILE 33 - HD2 ARG 23 lone 0 57 - 1 - HB3 LYS 73 - HD3 ARG 27 lone 0 34 - 1 - HB3 LYS 73 - HD2 ARG 27 lone 0 34 - 1 - HB ILE 33 - HD3 ARG 27 lone 0 47 - 1 - HB ILE 33 - HD2 ARG 27 lone 0 47 - 1 - HB2 ARG 54 - HD3 ARG 27 lone 0 51 - 1 - HB2 ARG 54 - HD2 ARG 27 lone 0 51 - 1 - HB2 PRO 34 - HD3 ARG 17 lone 0 45 - 1 - HB2 PRO 34 - HD2 ARG 17 lone 0 45 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 0 39 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 0 39 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 0 32 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 0 32 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 0 35 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 0 35 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 0 29 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 0 29 - 1 - Peak 2942 from cnoeabs.peaks (3.14, 3.14, 43.10 ppm; diagonal): 6 out of 10 assignments used, quality = 1.00: * HD2 ARG 71 + HD2 ARG 71 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 97 97 - 100 HD3 ARG 84 + HD3 ARG 84 OK 95 95 - 100 HD2 ARG 82 + HD2 ARG 82 OK 93 93 - 100 HD2 ARG 17 + HD2 ARG 17 OK 62 62 - 100 HD3 ARG 17 + HD3 ARG 17 OK 62 62 - 100 HD2 ARG 23 - HD2 ARG 23 OK 43 43 - 100 HD3 ARG 23 - HD3 ARG 23 OK 43 43 - 100 HD2 ARG 27 - HD2 ARG 27 OK 29 29 - 100 HD3 ARG 27 - HD3 ARG 27 OK 29 29 - 100 Peak 2943 from cnoeabs.peaks (3.20, 3.14, 43.10 ppm; 2.40 A): 1 out of 70 assignments used, quality = 1.00: * HD3 ARG 71 + HD2 ARG 71 OK 100 100 - 100 - 1.8=100 HD3 ARG 26 - HD2 ARG 71 poor 8 71 - 11 - 2935/3.0=1 HD3 ARG 70 - HD2 ARG 71 lone 8 100 - 8 - HD2 ARG 70 - HD2 ARG 71 lone 8 99 - 8 - HD2 ARG 26 - HD2 ARG 71 poor 8 68 - 11 - 2935/3.0=1 HD2 ARG 66 - HD2 ARG 71 lone 7 97 - 7 - HD3 ARG 66 - HD2 ARG 71 lone 7 95 - 7 - HD3 ARG 71 - HD2 ARG 17 lone 6 83 - 8 - 3.0/2934=1 HD3 ARG 71 - HD3 ARG 17 lone 6 83 - 8 - 3.0/2934=1 HD3 ARG 71 - HD2 ARG 84 lone 4 99 - 4 - HD3 ARG 71 - HD3 ARG 84 lone 4 98 - 4 - HD3 ARG 71 - HD3 ARG 27 lone 3 60 - 4 - HD3 ARG 71 - HD2 ARG 27 lone 3 60 - 4 - HD3 ARG 26 - HD2 ARG 17 lone 2 52 - 5 - HD3 ARG 26 - HD3 ARG 17 lone 2 52 - 5 - HD3 ARG 71 - HD3 ARG 23 lone 2 71 - 3 - HD3 ARG 71 - HD2 ARG 23 lone 2 71 - 3 - HD2 ARG 26 - HD2 ARG 17 lone 2 50 - 5 - HD2 ARG 26 - HD3 ARG 17 lone 2 50 - 5 - HD3 ARG 26 - HD3 ARG 27 lone 2 35 - 6 - HD3 ARG 26 - HD2 ARG 27 lone 2 35 - 6 - HD2 ARG 26 - HD2 ARG 27 lone 2 34 - 6 - HD2 ARG 26 - HD3 ARG 27 lone 2 34 - 6 - HD2 ARG 66 - HD3 ARG 23 lone 2 65 - 2 - HD2 ARG 66 - HD2 ARG 23 lone 2 65 - 2 - HD3 ARG 66 - HD3 ARG 23 lone 2 62 - 2 - HD3 ARG 66 - HD2 ARG 23 lone 2 62 - 2 - HD2 ARG 66 - HD3 ARG 27 lone 1 54 - 3 - HD2 ARG 66 - HD2 ARG 27 lone 1 54 - 3 - HD3 ARG 70 - HD2 ARG 84 lone 1 99 - 1 - HD2 ARG 70 - HD2 ARG 84 lone 1 98 - 1 - HD3 ARG 70 - HD3 ARG 84 lone 1 98 - 1 - HD3 ARG 70 - HD3 ARG 17 lone 1 82 - 2 - HD3 ARG 70 - HD2 ARG 17 lone 1 82 - 2 - HD2 ARG 70 - HD3 ARG 84 lone 1 97 - 1 - HD2 ARG 70 - HD2 ARG 17 lone 1 81 - 2 - HD2 ARG 70 - HD3 ARG 17 lone 1 81 - 2 - HD3 ARG 66 - HD2 ARG 27 lone 1 52 - 3 - HD3 ARG 66 - HD3 ARG 27 lone 1 52 - 3 - HD2 ARG 66 - HD2 ARG 17 lone 1 76 - 1 - HD2 ARG 66 - HD3 ARG 17 lone 1 76 - 1 - HD3 ARG 66 - HD3 ARG 17 lone 1 74 - 1 - HD3 ARG 66 - HD2 ARG 17 lone 1 74 - 1 - HD3 ARG 26 - HD3 ARG 23 lone 1 43 - 3 - HD3 ARG 26 - HD2 ARG 23 lone 1 43 - 3 - HD2 ARG 26 - HD3 ARG 23 lone 1 41 - 3 - HD2 ARG 26 - HD2 ARG 23 lone 1 41 - 3 - HD3 ARG 26 - HD2 ARG 84 lone 1 68 - 1 - HD3 ARG 26 - HD3 ARG 84 lone 1 67 - 1 - HD2 ARG 26 - HD2 ARG 84 lone 1 66 - 1 - HD2 ARG 26 - HD3 ARG 84 lone 1 64 - 1 - HD3 ARG 71 - HD2 ARG 82 lone 1 96 - 1 - HD3 ARG 70 - HD2 ARG 27 lone 1 59 - 1 - HD3 ARG 70 - HD3 ARG 27 lone 1 59 - 1 - HD2 ARG 70 - HD2 ARG 27 lone 1 58 - 1 - HD2 ARG 70 - HD3 ARG 27 lone 1 58 - 1 - HD2 ARG 66 - HD2 ARG 84 lone 0 94 - 0 - HD2 ARG 66 - HD3 ARG 84 lone 0 93 - 0 - HD3 ARG 66 - HD2 ARG 84 lone 0 92 - 0 - HD3 ARG 66 - HD3 ARG 84 lone 0 91 - 0 - HD3 ARG 70 - HD3 ARG 23 lone 0 70 - 0 - HD3 ARG 70 - HD2 ARG 23 lone 0 70 - 0 - HD2 ARG 70 - HD3 ARG 23 lone 0 69 - 0 - HD2 ARG 70 - HD2 ARG 23 lone 0 69 - 0 - HD3 ARG 70 - HD2 ARG 82 lone 0 95 - 0 - HD2 ARG 70 - HD2 ARG 82 lone 0 94 - 0 - HD2 ARG 66 - HD2 ARG 82 lone 0 90 - 0 - HD3 ARG 66 - HD2 ARG 82 lone 0 88 - 0 - HD3 ARG 26 - HD2 ARG 82 lone 0 64 - 0 - HD2 ARG 26 - HD2 ARG 82 lone 0 61 - 0 - Peak 2945 from cnoeabs.peaks (4.08, 3.20, 43.10 ppm; 4.44 A): 4 out of 35 assignments used, quality = 1.00: * HA ARG 71 + HD3 ARG 71 OK 95 100 - 95 - 4.7=86, ~2928=10...(24) HA ARG 26 + HD3 ARG 26 OK 64 68 - 93 - 4.8=80, ~1390=11...(29) HA ARG 26 + HD2 ARG 26 OK 61 66 - 93 - 4.8=80, ~1390=11...(29) HA ARG 26 + HD3 ARG 71 OK 46 99 - 47 - 2929/3.0=9, 2921/3.0=5...(16) HA ARG 71 - HD3 ARG 26 OK 43 71 - 61 - 1391/3.0=8, ~1390=4...(24) HA ARG 71 - HD2 ARG 26 OK 41 68 - 60 - 1391/3.0=8, ~1390=4...(24) HA ARG 71 - HD3 ARG 70 OK 36 59 - 60 - ~307=6, 5395/3.0=6...(23) HA ARG 71 - HD2 ARG 70 OK 35 58 - 60 - ~307=6, 5395/3.0=6...(23) HA ARG 71 - HD2 ARG 66 OK 32 56 - 57 - 5167/3.0=6, 5395/3.0=5...(24) HA ARG 71 - HD3 ARG 66 OK 31 54 - 57 - 5167/3.0=6, 5395/3.0=5...(22) HA ALA 63 - HD2 ARG 66 OK 28 48 - 58 - 4691/6.2=14, 5370/3.0=12...(9) HA ALA 63 - HD3 ARG 66 OK 26 46 - 58 - 4691/6.2=14, 5370/3.0=12...(9) HA ARG 26 - HD2 ARG 66 OK 22 54 - 40 - 5167/3.0=4, 5395/3.0=4...(13) HA ARG 26 - HD3 ARG 66 OK 21 52 - 40 - 5167/3.0=4, 5395/3.0=4...(13) HA GLU 25 - HD3 ARG 26 OK 19 62 - 31 - 55/6.1=6, 1391/3.0=6...(11) HA ALA 63 - HD3 ARG 71 OK 19 93 - 20 - 2929/3.0=4, 5369/3.5=3...(7) HA GLU 25 - HD2 ARG 26 OK 18 60 - 31 - 55/6.1=6, 1391/3.0=6...(11) HA GLU 25 - HD3 ARG 71 OK 13 95 - 13 - 2929/3.0=3, 2921/3.0=2...(5) HA ALA 63 - HD3 ARG 26 OK 12 61 - 19 - 4686/1.8=3, 5369/3.5=3...(7) HA ALA 63 - HD3 ARG 70 OK 12 50 - 23 - 4684/3.5=4, 4684/3.5=4...(8) HA ALA 63 - HD2 ARG 70 OK 12 50 - 23 - 4684/3.5=4, 4684/3.5=4...(8) HA ALA 63 - HD2 ARG 26 OK 11 59 - 19 - 4686/1.8=3, 5369/3.5=3...(7) HA VAL 90 - HD2 ARG 66 OK 10 56 - 18 - 3641/3.0=3, 5165/3.0=2...(5) HA VAL 90 - HD3 ARG 66 poor 10 54 - 18 - 3641/3.0=3, 5165/3.0=2...(5) HA ARG 26 - HD2 ARG 70 poor 9 56 - 16 - 5395/3.0=2, 5372/3.5=1 HA ARG 26 - HD3 ARG 70 poor 9 57 - 16 - 5395/3.0=2, 5372/3.5=1 HA GLU 25 - HD2 ARG 66 lone 3 49 - 7 - 3.6/532=1 HA GLU 25 - HD3 ARG 66 lone 3 47 - 7 - 3.6/532=1 HA VAL 90 - HD3 ARG 71 lone 3 100 - 3 - HA VAL 90 - HD3 ARG 26 lone 3 71 - 4 - HA VAL 90 - HD2 ARG 26 lone 3 68 - 4 - HA GLU 25 - HD3 ARG 70 lone 2 52 - 5 - HA GLU 25 - HD2 ARG 70 lone 2 51 - 4 - HA VAL 90 - HD3 ARG 70 lone 2 59 - 3 - HA VAL 90 - HD2 ARG 70 lone 2 58 - 3 - Peak 2946 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.08 A): 2 out of 98 assignments used, quality = 0.95: * HB2 ARG 71 + HD3 ARG 71 OK 78 100 - 78 - 3.5=66, 1157/3.0=4...(15) HB3 ARG 71 + HD3 ARG 71 OK 78 100 - 78 - 3.5=66, 1157/3.0=4...(15) HB2 ARG 26 - HD3 ARG 26 OK 31 39 - 80 - 3.5=70, 3.0/2948=2...(11) HB2 ARG 26 - HD2 ARG 26 OK 30 37 - 80 - 3.5=70, 3.0/2948=2...(12) HB3 ARG 26 - HD3 ARG 26 OK 30 37 - 80 - 3.5=70, 3.0/2948=2...(11) HB2 ARG 66 - HD2 ARG 66 OK 28 36 - 79 - 3.4=71, ~2701=4, ~2707=3...(14) HB3 ARG 26 - HD2 ARG 26 OK 28 36 - 80 - 3.5=70, 3.0/2948=2...(12) HB2 ARG 71 - HD3 ARG 26 OK 27 71 - 39 - 2.8/2935=2, ~1391=2...(7) HB3 ARG 71 - HD3 ARG 26 OK 27 71 - 39 - 2.8/2935=2, ~1391=2...(6) HB2 ARG 66 - HD3 ARG 66 OK 27 35 - 79 - 3.4=71, ~2701=4, ~2707=3...(14) HB2 ARG 71 - HD2 ARG 26 OK 26 68 - 39 - 2.8/2935=2, ~1391=2...(7) HB3 ARG 71 - HD2 ARG 26 OK 26 68 - 39 - 2.8/2935=2, ~1391=2...(6) HB2 ARG 17 - HD3 ARG 71 OK 19 95 - 21 - 2930/3.0=2, 1.8/2949=1, ~1149=1 HB2 ARG 66 - HD3 ARG 70 OK 19 38 - 51 - ~2867=2, ~2866=2...(27) HB2 ARG 66 - HD2 ARG 70 OK 19 37 - 52 - ~2867=2, ~2866=2...(27) HB2 ARG 27 - HD3 ARG 26 OK 18 71 - 26 - HB3 ARG 27 - HD3 ARG 26 OK 18 71 - 26 - HB2 ARG 26 - HD3 ARG 71 OK 18 65 - 27 - ~2929=2, 2931/3.0=2, ~2937=1 HB2 ARG 27 - HD2 ARG 26 OK 18 68 - 26 - HB3 ARG 27 - HD2 ARG 26 OK 17 68 - 26 - HB3 ARG 26 - HD3 ARG 71 OK 17 63 - 27 - ~2929=2, 2931/3.0=2, ~2937=1 HB2 ARG 71 - HD2 ARG 66 OK 16 56 - 28 - 2.8/2935=2, ~5167=1...(7) HB3 ARG 71 - HD2 ARG 66 OK 16 56 - 28 - 2.8/2935=2, ~5167=1...(7) HB2 ARG 71 - HD3 ARG 66 OK 15 54 - 28 - 2.8/2935=2, ~5167=1...(7) HB3 ARG 71 - HD3 ARG 66 OK 15 54 - 28 - 2.8/2935=2, ~5167=1...(7) HB2 ARG 27 - HD3 ARG 71 OK 14 100 - 14 - 2930/3.0=1 HB3 ARG 27 - HD3 ARG 71 OK 14 100 - 14 - 2930/3.0=1 HB2 ARG 71 - HD2 ARG 70 OK 13 58 - 22 - 2.8/2935=2, 4.0/5833=1...(6) HB2 ARG 71 - HD3 ARG 70 OK 13 59 - 21 - 2.8/2935=2, 4.0/5833=1...(6) HB3 ARG 71 - HD2 ARG 70 OK 13 58 - 22 - 2.8/2935=2, 4.0/5833=1...(6) HB3 ARG 71 - HD3 ARG 70 OK 13 59 - 21 - 2.8/2935=2, 4.0/5833=1...(6) HB2 ARG 17 - HD3 ARG 26 OK 11 62 - 17 - 1157/3.0=1 HB2 ARG 66 - HD3 ARG 26 OK 10 46 - 23 - 2.8/2713=1, 2.8/2705=1 HB2 ARG 66 - HD2 ARG 26 OK 10 44 - 24 - 2.8/2713=1, 2.8/2705=1 HB2 ARG 17 - HD2 ARG 26 OK 10 60 - 17 - 1157/3.0=1 HB2 ARG 26 - HD2 ARG 66 poor 9 30 - 30 - 2686/3.0=1, ~2708=1...(6) HB2 ARG 26 - HD3 ARG 66 poor 9 29 - 30 - 2686/3.0=1, ~2708=1...(6) HB3 ARG 26 - HD2 ARG 66 poor 9 29 - 30 - 2686/3.0=1, ~2708=1...(6) HB3 ARG 26 - HD3 ARG 66 poor 8 27 - 30 - 2686/3.0=1, ~2708=1...(6) HB2 ARG 66 - HD3 ARG 71 lone 7 76 - 10 - HB3 ARG 23 - HD3 ARG 71 lone 7 100 - 6 - HB2 ARG 23 - HD3 ARG 71 lone 7 99 - 6 - HB3 PRO 34 - HD3 ARG 71 lone 6 81 - 8 - HB3 ARG 23 - HD3 ARG 26 lone 5 70 - 7 - HB2 ARG 27 - HD2 ARG 66 lone 5 56 - 9 - HB3 ARG 27 - HD2 ARG 66 lone 5 56 - 9 - HB2 ARG 23 - HD3 ARG 26 lone 5 69 - 7 - HB3 ARG 23 - HD2 ARG 26 lone 5 67 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 5 66 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 5 54 - 8 - HB3 ARG 27 - HD3 ARG 66 lone 5 54 - 8 - HB3 ARG 23 - HD2 ARG 66 lone 5 55 - 8 - HB2 ARG 23 - HD2 ARG 66 lone 5 55 - 8 - HB3 ARG 23 - HD3 ARG 66 lone 4 53 - 8 - HB2 ARG 23 - HD3 ARG 66 lone 4 53 - 8 - HB3 PRO 34 - HD3 ARG 26 lone 4 50 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 4 48 - 8 - HB2 ARG 26 - HD2 ARG 70 lone 3 31 - 8 - HB2 ARG 26 - HD3 ARG 70 lone 2 32 - 8 - HB3 ARG 26 - HD2 ARG 70 lone 2 30 - 8 - HB3 ARG 26 - HD3 ARG 70 lone 2 30 - 8 - HB2 LYS 75 - HD3 ARG 71 lone 2 97 - 2 - HB2 ARG 17 - HD3 ARG 70 lone 2 52 - 4 - HB2 ARG 17 - HD2 ARG 70 lone 2 51 - 4 - HB2 ARG 27 - HD3 ARG 70 lone 2 59 - 3 - HB3 ARG 27 - HD3 ARG 70 lone 2 59 - 3 - HB2 ARG 27 - HD2 ARG 70 lone 2 58 - 3 - HB3 ARG 27 - HD2 ARG 70 lone 2 58 - 3 - HB2 ARG 17 - HD2 ARG 66 lone 2 49 - 3 - HB2 ARG 17 - HD3 ARG 66 lone 2 47 - 3 - HB2 LYS 39 - HD3 ARG 71 lone 1 100 - 1 - HB2 LYS 75 - HD3 ARG 70 lone 1 55 - 3 - HB2 LYS 75 - HD2 ARG 70 lone 1 54 - 3 - HB2 LYS 39 - HD2 ARG 66 lone 1 56 - 1 - HB3 PRO 34 - HD2 ARG 66 lone 1 39 - 2 - HB3 ARG 23 - HD3 ARG 70 lone 1 58 - 1 - HB2 LYS 39 - HD3 ARG 66 lone 1 54 - 1 - HB2 ARG 23 - HD3 ARG 70 lone 1 57 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 1 37 - 2 - HB3 ARG 23 - HD2 ARG 70 lone 1 57 - 1 - HB2 ARG 23 - HD2 ARG 70 lone 1 57 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 68 - 1 - HB ILE 89 - HD3 ARG 71 lone 1 60 - 1 - HB2 LYS 39 - HD3 ARG 70 lone 1 59 - 1 - HB2 LYS 39 - HD2 ARG 70 lone 1 58 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 52 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 50 - 1 - HB ILE 89 - HD3 ARG 26 lone 0 35 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 66 - 1 - HB ILE 89 - HD2 ARG 26 lone 0 34 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 63 - 1 - HB3 PRO 34 - HD3 ARG 70 lone 0 41 - 1 - HB3 PRO 34 - HD2 ARG 70 lone 0 40 - 1 - HB ILE 89 - HD3 ARG 70 lone 0 29 - 0 - HB ILE 89 - HD2 ARG 70 lone 0 28 - 0 - HB ILE 89 - HD2 ARG 66 lone 0 27 - 0 - HB ILE 89 - HD3 ARG 66 lone 0 26 - 0 - Peak 2947 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.08 A): 2 out of 91 assignments used, quality = 0.95: HB2 ARG 71 + HD3 ARG 71 OK 78 100 - 78 - 3.5=66, 1157/3.0=4...(15) * HB3 ARG 71 + HD3 ARG 71 OK 78 100 - 78 - 3.5=66, 1157/3.0=3...(15) HB2 ARG 26 - HD3 ARG 26 OK 33 41 - 80 - 3.5=70, 3.0/2948=2...(11) HB2 ARG 26 - HD2 ARG 26 OK 31 39 - 80 - 3.5=70, 3.0/2948=2...(12) HB3 ARG 26 - HD3 ARG 26 OK 31 39 - 80 - 3.5=70, 3.0/2948=2...(11) HB3 ARG 26 - HD2 ARG 26 OK 30 37 - 80 - 3.5=70, 3.0/2948=2...(12) HB2 ARG 66 - HD2 ARG 66 OK 30 37 - 79 - 3.4=71, ~2701=4, ~2707=3...(14) HB2 ARG 66 - HD3 ARG 66 OK 28 36 - 79 - 3.4=71, ~2701=4, ~2707=3...(14) HB2 ARG 71 - HD3 ARG 26 OK 27 71 - 39 - 2.8/2935=2, ~1391=2...(7) HB3 ARG 71 - HD3 ARG 26 OK 27 71 - 39 - 2.8/2935=2, ~1391=2...(6) HB2 ARG 71 - HD2 ARG 26 OK 26 68 - 39 - 2.8/2935=2, ~1391=2...(7) HB3 ARG 71 - HD2 ARG 26 OK 26 68 - 39 - 2.8/2935=2, ~1391=2...(6) HB2 ARG 66 - HD3 ARG 70 OK 20 39 - 52 - ~2867=2, ~2866=2...(27) HB2 ARG 66 - HD2 ARG 70 OK 20 39 - 52 - ~2867=2, ~2866=2...(27) HB2 ARG 17 - HD3 ARG 71 OK 19 93 - 21 - 2930/3.0=2, 1.8/2949=1, ~1149=1 HB2 ARG 26 - HD3 ARG 71 OK 18 68 - 27 - ~2929=2, 2931/3.0=2, ~2937=1 HB2 ARG 27 - HD3 ARG 26 OK 18 71 - 26 - HB3 ARG 27 - HD3 ARG 26 OK 18 71 - 26 - HB3 ARG 26 - HD3 ARG 71 OK 18 65 - 27 - ~2929=2, 2931/3.0=2, ~2937=1 HB2 ARG 27 - HD2 ARG 26 OK 18 68 - 26 - HB3 ARG 27 - HD2 ARG 26 OK 17 68 - 26 - HB3 ARG 71 - HD2 ARG 66 OK 16 56 - 28 - 2.8/2935=2, ~5167=1...(7) HB2 ARG 71 - HD2 ARG 66 OK 16 56 - 28 - 2.8/2935=2, ~5167=1...(7) HB3 ARG 71 - HD3 ARG 66 OK 15 54 - 28 - 2.8/2935=2, ~5167=1...(7) HB2 ARG 71 - HD3 ARG 66 OK 15 54 - 28 - 2.8/2935=2, ~5167=1...(7) HB2 ARG 27 - HD3 ARG 71 OK 14 100 - 14 - 2930/3.0=1 HB3 ARG 27 - HD3 ARG 71 OK 14 100 - 14 - 2930/3.0=1 HB3 ARG 71 - HD2 ARG 70 OK 13 58 - 22 - 2.8/2935=2, 4.0/5833=1...(6) HB2 ARG 71 - HD2 ARG 70 OK 13 58 - 22 - 2.8/2935=2, 4.0/5833=1...(6) HB3 ARG 71 - HD3 ARG 70 OK 13 59 - 21 - 2.8/2935=2, 4.0/5833=1...(6) HB2 ARG 71 - HD3 ARG 70 OK 13 59 - 21 - 2.8/2935=2, 4.0/5833=1...(6) HB2 ARG 66 - HD3 ARG 26 OK 11 48 - 23 - 2.8/2713=1, 2.8/2705=1 HB2 ARG 66 - HD2 ARG 26 OK 11 46 - 24 - 2.8/2713=1, 2.8/2705=1 HB2 ARG 17 - HD3 ARG 26 OK 10 61 - 17 - 1157/3.0=1 HB2 ARG 17 - HD2 ARG 26 poor 10 59 - 17 - 1157/3.0=1 HB2 ARG 26 - HD2 ARG 66 poor 10 32 - 30 - 2686/3.0=1, 2708/3.0=1...(7) HB2 ARG 26 - HD3 ARG 66 poor 9 30 - 30 - 2686/3.0=1, 2708/3.0=1...(7) HB3 ARG 26 - HD2 ARG 66 poor 9 30 - 30 - 2686/3.0=1, 2708/3.0=1...(7) HB3 ARG 26 - HD3 ARG 66 poor 9 29 - 30 - 2686/3.0=1, 2708/3.0=1...(7) HB2 ARG 66 - HD3 ARG 71 lone 8 78 - 10 - HB3 ARG 23 - HD3 ARG 71 lone 7 99 - 6 - HB2 ARG 23 - HD3 ARG 71 lone 7 99 - 6 - HB3 PRO 34 - HD3 ARG 71 lone 6 83 - 8 - HB2 ARG 27 - HD2 ARG 66 lone 5 56 - 9 - HB3 ARG 27 - HD2 ARG 66 lone 5 56 - 9 - HB3 ARG 23 - HD3 ARG 26 lone 5 69 - 7 - HB2 ARG 23 - HD3 ARG 26 lone 5 68 - 7 - HB2 ARG 27 - HD3 ARG 66 lone 5 54 - 8 - HB3 ARG 27 - HD3 ARG 66 lone 5 54 - 8 - HB3 ARG 23 - HD2 ARG 26 lone 5 66 - 7 - HB2 ARG 23 - HD2 ARG 26 lone 5 66 - 7 - HB3 ARG 23 - HD2 ARG 66 lone 5 55 - 8 - HB2 ARG 23 - HD2 ARG 66 lone 5 54 - 8 - HB3 ARG 23 - HD3 ARG 66 lone 4 53 - 8 - HB3 PRO 34 - HD3 ARG 26 lone 4 52 - 8 - HB2 ARG 23 - HD3 ARG 66 lone 4 52 - 8 - HB3 PRO 34 - HD2 ARG 26 lone 4 50 - 8 - HB2 ARG 26 - HD2 ARG 70 lone 3 33 - 8 - HB2 ARG 26 - HD3 ARG 70 lone 3 33 - 8 - HB3 ARG 26 - HD2 ARG 70 lone 3 31 - 8 - HB3 ARG 26 - HD3 ARG 70 lone 3 32 - 8 - HB2 LYS 75 - HD3 ARG 71 lone 2 97 - 2 - HB2 ARG 17 - HD3 ARG 70 lone 2 50 - 4 - HB2 ARG 17 - HD2 ARG 70 lone 2 50 - 4 - HB3 ARG 27 - HD3 ARG 70 lone 2 59 - 3 - HB2 ARG 27 - HD3 ARG 70 lone 2 59 - 3 - HB3 ARG 27 - HD2 ARG 70 lone 2 58 - 3 - HB2 ARG 27 - HD2 ARG 70 lone 2 58 - 3 - HB2 ARG 17 - HD2 ARG 66 lone 2 48 - 3 - HB2 ARG 17 - HD3 ARG 66 lone 1 46 - 3 - HB2 LYS 39 - HD3 ARG 71 lone 1 100 - 1 - HB2 LYS 75 - HD3 ARG 70 lone 1 54 - 3 - HB2 LYS 75 - HD2 ARG 70 lone 1 53 - 3 - HB3 PRO 34 - HD2 ARG 66 lone 1 40 - 2 - HB2 LYS 39 - HD2 ARG 66 lone 1 56 - 1 - HB3 PRO 34 - HD3 ARG 66 lone 1 39 - 2 - HB2 LYS 39 - HD3 ARG 66 lone 1 54 - 1 - HB3 ARG 23 - HD3 ARG 70 lone 1 57 - 1 - HB2 ARG 23 - HD3 ARG 70 lone 1 57 - 1 - HB3 ARG 23 - HD2 ARG 70 lone 1 57 - 1 - HB2 ARG 23 - HD2 ARG 70 lone 1 56 - 1 - HB2 LYS 39 - HD3 ARG 26 lone 1 71 - 1 - HB2 LYS 39 - HD2 ARG 26 lone 1 68 - 1 - HB2 LYS 39 - HD3 ARG 70 lone 1 59 - 1 - HB2 LYS 39 - HD2 ARG 70 lone 1 58 - 1 - HB2 LYS 75 - HD2 ARG 66 lone 0 51 - 1 - HB2 LYS 75 - HD3 ARG 66 lone 0 49 - 1 - HB2 LYS 75 - HD3 ARG 26 lone 0 65 - 1 - HB2 LYS 75 - HD2 ARG 26 lone 0 62 - 1 - HB3 PRO 34 - HD3 ARG 70 lone 0 42 - 1 - HB3 PRO 34 - HD2 ARG 70 lone 0 42 - 1 - Peak 2948 from cnoeabs.peaks (1.62, 3.20, 43.10 ppm; 2.94 A): 5 out of 112 assignments used, quality = 1.00: * HG2 ARG 71 + HD3 ARG 71 OK 96 100 - 96 - 3.0=95, 2.8/2946=2...(5) HG2 ARG 26 + HD3 ARG 26 OK 70 71 - 99 - 3.0=99 HG2 ARG 26 + HD2 ARG 26 OK 67 68 - 99 - 3.0=99 HG3 ARG 70 + HD3 ARG 70 OK 56 57 - 99 - 3.0=99 HG3 ARG 70 + HD2 ARG 70 OK 55 56 - 99 - 3.0=99 HG2 ARG 71 - HD3 ARG 26 OK 22 71 - 32 - 1394/3.0=4, 1.8/2935=2...(8) HG3 ARG 70 - HD2 ARG 66 OK 21 54 - 40 - 1.8/2871=4, 2878=3...(15) HG2 ARG 71 - HD2 ARG 26 OK 21 68 - 32 - 1394/3.0=4, 1.8/2935=2...(7) HG3 ARG 70 - HD3 ARG 66 OK 21 52 - 40 - 1.8/2871=4, 2878=3...(14) HG3 ARG 17 - HD3 ARG 71 OK 19 100 - 20 - 2932/3.0=2, 2878=2, 1.8/2878=1 HG2 ARG 17 - HD3 ARG 71 OK 19 100 - 20 - 2932/3.0=2, 2878=2, 1.8/2878=1 HG2 ARG 26 - HD3 ARG 71 OK 17 100 - 17 - 2932/3.0=3, ~1394=2, 1.8/1397=1 HG3 ARG 70 - HD3 ARG 71 OK 12 99 - 12 - 1.8/2870=2, 2932/3.0=1 HG2 ARG 27 - HD3 ARG 26 OK 12 63 - 19 - 1394/3.0=2 HG2 ARG 71 - HD3 ARG 70 OK 12 59 - 20 - 2869/3.0=2, 1.8/2935=2...(6) HG3 ARG 27 - HD3 ARG 26 OK 12 62 - 19 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 70 OK 12 58 - 20 - 2869/3.0=2, 1.8/2935=2...(5) HG2 ARG 27 - HD2 ARG 26 OK 11 61 - 19 - 1394/3.0=2 HG3 ARG 27 - HD2 ARG 26 OK 11 60 - 19 - 1394/3.0=2 HG2 ARG 71 - HD2 ARG 66 OK 11 56 - 19 - 1.8/2935=2, ~2935=1...(4) HG3 ARG 17 - HD3 ARG 26 OK 10 71 - 15 - 1394/3.0=2 HG2 ARG 17 - HD3 ARG 26 OK 10 71 - 15 - 1394/3.0=2 HG2 ARG 27 - HD3 ARG 71 OK 10 96 - 11 - 2932/3.0=1 HG2 ARG 71 - HD3 ARG 66 OK 10 54 - 19 - 1.8/2935=2, ~2935=1...(4) HG3 ARG 27 - HD3 ARG 71 OK 10 95 - 11 - 2932/3.0=1 HD3 LYS 32 - HD3 ARG 71 OK 10 99 - 10 - 2932/3.0=1 HD2 LYS 32 - HD3 ARG 71 poor 10 98 - 10 - 2932/3.0=1 HG3 ARG 17 - HD2 ARG 26 poor 10 68 - 14 - 1394/3.0=2 HG2 ARG 17 - HD2 ARG 26 poor 10 68 - 14 - 1394/3.0=2 HG2 ARG 26 - HD2 ARG 66 poor 10 56 - 17 - 1.8/1397=1, ~1396=1, ~1397=1 HG2 ARG 26 - HD3 ARG 66 poor 9 54 - 17 - 1.8/1397=1, ~1397=1, ~1396=1 HD3 LYS 73 - HD3 ARG 71 lone 6 98 - 6 - HD2 LYS 73 - HD3 ARG 71 lone 6 98 - 6 - HG2 ARG 84 - HD3 ARG 71 lone 5 68 - 8 - HG3 ARG 84 - HD3 ARG 71 lone 5 68 - 8 - HB2 LEU 86 - HD3 ARG 70 lone 4 58 - 7 - HB2 LEU 86 - HD2 ARG 70 lone 4 57 - 7 - HG3 ARG 70 - HD3 ARG 26 lone 4 68 - 6 - HG2 ARG 27 - HD2 ARG 66 lone 4 50 - 8 - HG3 ARG 27 - HD2 ARG 66 lone 4 49 - 8 - HG2 ARG 27 - HD3 ARG 66 lone 4 48 - 7 - HG3 ARG 27 - HD3 ARG 66 lone 4 47 - 7 - HD3 LYS 32 - HD3 ARG 70 lone 4 57 - 6 - HG3 ARG 17 - HD3 ARG 70 lone 4 59 - 6 - HG2 ARG 17 - HD3 ARG 70 lone 4 59 - 6 - HG3 ARG 70 - HD2 ARG 26 lone 4 66 - 5 - HD3 LYS 32 - HD2 ARG 70 lone 4 56 - 6 - HG3 ARG 17 - HD2 ARG 70 lone 3 58 - 6 - HG2 ARG 17 - HD2 ARG 70 lone 3 58 - 6 - HD2 LYS 32 - HD3 ARG 70 lone 3 55 - 6 - HD2 LYS 32 - HD2 ARG 70 lone 3 55 - 6 - HG2 ARG 26 - HD3 ARG 70 lone 3 59 - 6 - HG2 ARG 26 - HD2 ARG 70 lone 3 58 - 6 - HG LEU 86 - HD3 ARG 70 lone 3 41 - 7 - HG LEU 86 - HD2 ARG 70 lone 3 40 - 7 - HB2 LEU 86 - HD3 ARG 71 lone 3 100 - 3 - HD3 LYS 32 - HD3 ARG 26 lone 3 68 - 4 - HD2 LYS 32 - HD3 ARG 26 lone 3 67 - 4 - HD3 LYS 32 - HD2 ARG 26 lone 3 66 - 4 - HB2 LEU 86 - HD3 ARG 26 lone 2 70 - 4 - HG2 ARG 17 - HD2 ARG 66 lone 2 56 - 4 - HG3 ARG 17 - HD2 ARG 66 lone 2 56 - 4 - HD2 LYS 32 - HD2 ARG 26 lone 2 64 - 4 - HB2 LEU 86 - HD2 ARG 26 lone 2 67 - 3 - HG2 ARG 17 - HD3 ARG 66 lone 2 54 - 4 - HG3 ARG 17 - HD3 ARG 66 lone 2 54 - 4 - HD3 LYS 73 - HD3 ARG 70 lone 2 55 - 4 - HD2 LYS 73 - HD3 ARG 70 lone 2 55 - 4 - HD3 LYS 73 - HD2 ARG 70 lone 2 55 - 4 - HD2 LYS 73 - HD2 ARG 70 lone 2 55 - 4 - HG LEU 86 - HD3 ARG 71 lone 2 81 - 2 - HG2 ARG 84 - HD3 ARG 70 lone 2 33 - 6 - HG3 ARG 84 - HD3 ARG 70 lone 2 33 - 6 - HG2 ARG 84 - HD2 ARG 70 lone 2 33 - 6 - HG3 ARG 84 - HD2 ARG 70 lone 2 33 - 6 - HG2 ARG 84 - HD3 ARG 26 lone 2 41 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 2 41 - 4 - HG2 ARG 27 - HD3 ARG 70 lone 2 53 - 3 - HG2 ARG 27 - HD2 ARG 70 lone 2 52 - 3 - HG3 ARG 27 - HD3 ARG 70 lone 2 52 - 3 - HG3 ARG 27 - HD2 ARG 70 lone 2 51 - 3 - HG2 ARG 84 - HD2 ARG 26 lone 2 39 - 4 - HG3 ARG 84 - HD2 ARG 26 lone 2 39 - 4 - HG LEU 86 - HD3 ARG 26 lone 2 50 - 3 - HG LEU 86 - HD2 ARG 26 lone 2 48 - 3 - HD3 LYS 73 - HD3 ARG 26 lone 1 67 - 2 - HD2 LYS 73 - HD3 ARG 26 lone 1 67 - 2 - HD2 LYS 73 - HD2 ARG 26 lone 1 64 - 2 - HD3 LYS 73 - HD2 ARG 26 lone 1 64 - 2 - HD3 LYS 32 - HD2 ARG 66 lone 1 54 - 2 - HB2 LEU 86 - HD2 ARG 66 lone 1 55 - 2 - HD2 LYS 32 - HD2 ARG 66 lone 1 53 - 2 - HD3 LYS 32 - HD3 ARG 66 lone 1 52 - 2 - HB2 LEU 86 - HD3 ARG 66 lone 1 53 - 2 - HD2 LYS 32 - HD3 ARG 66 lone 1 51 - 2 - HG LEU 86 - HD2 ARG 66 lone 1 39 - 3 - HG LEU 86 - HD3 ARG 66 lone 1 37 - 2 - HB3 LEU 51 - HD3 ARG 71 lone 1 83 - 1 - HD3 LYS 73 - HD2 ARG 66 lone 1 53 - 1 - HD2 LYS 73 - HD2 ARG 66 lone 1 53 - 1 - HB3 LEU 51 - HD3 ARG 70 lone 1 42 - 2 - HD2 LYS 73 - HD3 ARG 66 lone 1 51 - 1 - HD3 LYS 73 - HD3 ARG 66 lone 1 51 - 1 - HB3 LEU 51 - HD2 ARG 70 lone 1 42 - 2 - HB3 LEU 51 - HD3 ARG 26 lone 1 52 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 0 50 - 1 - HB3 LEU 51 - HD2 ARG 66 lone 0 40 - 1 - HB3 LEU 51 - HD3 ARG 66 lone 0 39 - 1 - HG2 ARG 84 - HD2 ARG 66 lone 0 32 - 1 - HG3 ARG 84 - HD2 ARG 66 lone 0 32 - 1 - HG2 ARG 84 - HD3 ARG 66 lone 0 30 - 1 - HG3 ARG 84 - HD3 ARG 66 lone 0 30 - 1 - Peak 2949 from cnoeabs.peaks (1.75, 3.20, 43.10 ppm; 3.19 A): 3 out of 112 assignments used, quality = 1.00: * HG3 ARG 71 + HD3 ARG 71 OK 100 100 - 100 - 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 70 70 - 100 - 3.0=100 HG3 ARG 26 + HD2 ARG 26 OK 68 68 - 100 - 3.0=100 HG3 ARG 71 - HD3 ARG 26 OK 27 71 - 39 - 2935=3, 2932/3.0=3...(11) HG3 ARG 71 - HD2 ARG 26 OK 26 68 - 39 - 2932/3.0=3, 2935=3...(11) HG3 ARG 26 - HD3 ARG 71 OK 26 100 - 26 - 1394/3.0=4, 1391/4.7=3...(7) HB3 ARG 17 - HD3 ARG 71 OK 24 99 - 25 - 1164/3.5=2, 1164/3.5=2...(8) HG3 ARG 71 - HD2 ARG 66 OK 13 56 - 23 - 2935=3, 2935/1.8=2...(6) HG3 ARG 71 - HD3 ARG 70 OK 13 59 - 21 - 2935=3, 2935/1.8=2...(9) HG3 ARG 71 - HD2 ARG 70 OK 13 58 - 22 - 2935=3, 2935/1.8=2...(9) HG3 ARG 26 - HD2 ARG 66 OK 12 56 - 22 - 1396/1.8=2, 1397=1, 1393/3.4=1 HG3 ARG 71 - HD3 ARG 66 OK 12 54 - 23 - 2935=2, 2935/1.8=2...(6) HG3 ARG 26 - HD3 ARG 66 OK 12 54 - 22 - 1397/1.8=2, 1397=2, 1393/3.4=1 HB3 ARG 17 - HD3 ARG 26 OK 12 68 - 17 - HG2 PRO 34 - HD3 ARG 71 OK 11 99 - 12 - 1723/3.5=2, 1723/3.5=2 HB3 ARG 17 - HD2 ARG 26 OK 11 65 - 17 - HG2 PRO 34 - HD3 ARG 26 poor 8 68 - 12 - 1723/3.5=2, 1723/3.5=2 HB3 LYS 32 - HD3 ARG 71 lone 8 78 - 10 - HB2 LYS 32 - HD3 ARG 71 lone 8 78 - 10 - HG2 PRO 34 - HD2 ARG 26 poor 8 65 - 12 - 1723/3.5=2, 1723/3.5=2 HB2 LEU 62 - HD3 ARG 26 poor 7 70 - 10 - 3.1/5958=1, ~5958=1, 4678/4.8=1 HB2 LEU 62 - HD2 ARG 26 poor 7 67 - 11 - 3.1/5958=2, ~5958=1, 4678/4.8=1 HB2 ARG 84 - HD3 ARG 71 lone 6 71 - 9 - HB2 LEU 62 - HD3 ARG 71 lone 5 100 - 5 - HB2 PRO 34 - HD3 ARG 71 lone 5 63 - 8 - HB3 LYS 73 - HD3 ARG 71 lone 4 68 - 6 - HB2 PRO 34 - HD3 ARG 26 lone 4 37 - 10 - HG3 ARG 26 - HD2 ARG 70 lone 4 58 - 6 - HG3 ARG 26 - HD3 ARG 70 lone 4 59 - 6 - HB2 PRO 34 - HD2 ARG 26 lone 4 36 - 10 - HB3 LYS 32 - HD3 ARG 70 lone 3 39 - 9 - HB2 LYS 32 - HD3 ARG 70 lone 3 39 - 9 - HB2 LYS 32 - HD2 ARG 70 lone 3 39 - 9 - HB3 LYS 32 - HD2 ARG 70 lone 3 39 - 9 - HB2 LEU 62 - HD3 ARG 70 lone 3 58 - 6 - HB2 LEU 62 - HD2 ARG 70 lone 3 57 - 6 - HB2 LEU 62 - HD2 ARG 66 lone 3 55 - 5 - HB2 LEU 62 - HD3 ARG 66 lone 3 53 - 5 - HB3 ARG 82 - HD3 ARG 71 lone 2 93 - 3 - HB2 LEU 57 - HD3 ARG 70 lone 2 49 - 4 - HB3 ARG 17 - HD3 ARG 70 lone 2 56 - 4 - HB2 LEU 57 - HD2 ARG 70 lone 2 48 - 4 - HB3 ARG 17 - HD2 ARG 70 lone 2 55 - 4 - HB2 ARG 84 - HD3 ARG 26 lone 2 43 - 5 - HB2 LYS 32 - HD3 ARG 26 lone 2 48 - 4 - HB3 LYS 32 - HD3 ARG 26 lone 2 48 - 4 - HB2 ARG 84 - HD2 ARG 26 lone 2 41 - 5 - HB3 LYS 32 - HD2 ARG 26 lone 2 46 - 4 - HB2 LYS 32 - HD2 ARG 26 lone 2 46 - 4 - HB3 LYS 32 - HD2 ARG 66 lone 2 37 - 5 - HB2 LYS 32 - HD2 ARG 66 lone 2 37 - 5 - HB3 ARG 17 - HD2 ARG 66 lone 2 54 - 3 - HB3 LYS 32 - HD3 ARG 66 lone 2 36 - 5 - HB2 LYS 32 - HD3 ARG 66 lone 2 36 - 5 - HB3 ARG 17 - HD3 ARG 66 lone 2 52 - 3 - HB2 ARG 84 - HD3 ARG 70 lone 2 35 - 4 - HB2 ARG 84 - HD2 ARG 70 lone 1 34 - 4 - HB2 ARG 54 - HD3 ARG 71 lone 1 93 - 1 - HB2 LEU 57 - HD3 ARG 71 lone 1 92 - 1 - HB3 LYS 85 - HD3 ARG 71 lone 1 60 - 2 - HB2 LEU 43 - HD2 ARG 66 lone 1 30 - 4 - HG2 PRO 34 - HD2 ARG 66 lone 1 54 - 2 - HB2 LEU 57 - HD2 ARG 66 lone 1 47 - 2 - HB2 LEU 43 - HD3 ARG 66 lone 1 29 - 4 - HG2 PRO 34 - HD3 ARG 66 lone 1 52 - 2 - HB2 LEU 57 - HD3 ARG 66 lone 1 45 - 2 - HB2 LEU 57 - HD3 ARG 26 lone 1 60 - 2 - HB2 LEU 57 - HD2 ARG 26 lone 1 57 - 2 - HB2 LEU 43 - HD3 ARG 71 lone 1 65 - 1 - HB2 ARG 54 - HD3 ARG 70 lone 1 50 - 2 - HB2 ARG 54 - HD2 ARG 70 lone 1 50 - 2 - HB3 LYS 73 - HD3 ARG 70 lone 1 33 - 3 - HB3 LYS 73 - HD2 ARG 70 lone 1 33 - 3 - HB ILE 33 - HD3 ARG 71 lone 1 89 - 1 - HB3 ARG 82 - HD3 ARG 26 lone 1 61 - 1 - HB2 LEU 43 - HD3 ARG 26 lone 1 39 - 2 - HB3 ARG 82 - HD2 ARG 26 lone 1 59 - 1 - HB2 LEU 43 - HD2 ARG 26 lone 1 37 - 2 - HB3 LYS 73 - HD3 ARG 26 lone 1 41 - 2 - HB3 ARG 82 - HD2 ARG 66 lone 1 48 - 1 - HB2 LEU 43 - HD3 ARG 70 lone 1 32 - 2 - HB2 LEU 43 - HD2 ARG 70 lone 1 31 - 2 - HB3 ARG 82 - HD3 ARG 66 lone 1 46 - 1 - HB3 LYS 73 - HD2 ARG 26 lone 1 39 - 2 - HB ILE 33 - HD2 ARG 66 lone 1 44 - 1 - HB2 PRO 34 - HD2 ARG 66 lone 1 29 - 2 - HB2 ARG 54 - HD3 ARG 26 lone 1 61 - 1 - HB ILE 33 - HD3 ARG 66 lone 1 43 - 1 - HB2 PRO 34 - HD3 ARG 66 lone 1 27 - 2 - HB2 ARG 54 - HD2 ARG 26 lone 1 59 - 1 - HB3 ARG 82 - HD3 ARG 70 lone 1 50 - 1 - HB3 LYS 85 - HD3 ARG 70 lone 1 29 - 2 - HB3 ARG 82 - HD2 ARG 70 lone 1 50 - 1 - HB3 LYS 85 - HD2 ARG 70 lone 1 28 - 2 - HB ILE 33 - HD3 ARG 26 lone 1 57 - 1 - HB ILE 33 - HD2 ARG 26 lone 1 54 - 1 - HG2 PRO 34 - HD3 ARG 70 lone 0 56 - 1 - HG2 PRO 34 - HD2 ARG 70 lone 0 55 - 1 - HB2 ARG 54 - HD2 ARG 66 lone 0 48 - 1 - HB ILE 33 - HD3 ARG 70 lone 0 47 - 1 - HB2 ARG 54 - HD3 ARG 66 lone 0 46 - 1 - HB ILE 33 - HD2 ARG 70 lone 0 46 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 0 35 - 1 - HB2 ARG 84 - HD2 ARG 66 lone 0 33 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 0 34 - 1 - HB2 ARG 84 - HD3 ARG 66 lone 0 32 - 1 - HB3 LYS 73 - HD2 ARG 66 lone 0 32 - 1 - HB3 LYS 73 - HD3 ARG 66 lone 0 30 - 1 - HB2 PRO 34 - HD3 ARG 70 lone 0 30 - 1 - HB2 PRO 34 - HD2 ARG 70 lone 0 30 - 1 - HB3 LYS 85 - HD2 ARG 66 lone 0 27 - 1 - HB3 LYS 85 - HD3 ARG 66 lone 0 26 - 1 - Peak 2950 from cnoeabs.peaks (3.14, 3.20, 43.10 ppm; 2.40 A): 1 out of 77 assignments used, quality = 1.00: * HD2 ARG 71 + HD3 ARG 71 OK 100 100 - 100 - 1.8=100 HD2 ARG 71 - HD3 ARG 26 poor 8 71 - 11 - 3.0/2935=1 HD2 ARG 71 - HD2 ARG 26 poor 8 68 - 11 - 3.0/2935=1 HD3 ARG 17 - HD3 ARG 71 lone 6 83 - 8 - 2934/3.0=1 HD2 ARG 17 - HD3 ARG 71 lone 6 83 - 8 - 2934/3.0=1 HD2 ARG 71 - HD3 ARG 70 lone 5 59 - 8 - HD2 ARG 71 - HD2 ARG 70 lone 5 58 - 8 - HD2 ARG 71 - HD2 ARG 66 lone 4 56 - 7 - HD2 ARG 71 - HD3 ARG 66 lone 4 54 - 7 - HD2 ARG 84 - HD3 ARG 71 lone 4 99 - 4 - HD3 ARG 84 - HD3 ARG 71 lone 4 98 - 4 - HD2 ARG 27 - HD3 ARG 71 lone 2 60 - 4 - HD3 ARG 27 - HD3 ARG 71 lone 2 60 - 4 - HD2 ARG 17 - HD3 ARG 26 lone 2 52 - 5 - HD3 ARG 17 - HD3 ARG 26 lone 2 52 - 5 - HD3 ARG 17 - HD2 ARG 26 lone 2 50 - 5 - HD2 ARG 17 - HD2 ARG 26 lone 2 50 - 5 - HD3 ARG 23 - HD3 ARG 71 lone 2 71 - 3 - HD2 ARG 23 - HD3 ARG 71 lone 2 71 - 3 - HD2 ARG 27 - HD3 ARG 26 lone 2 35 - 6 - HD3 ARG 27 - HD3 ARG 26 lone 2 35 - 6 - HD2 ARG 27 - HD2 ARG 26 lone 2 34 - 6 - HD3 ARG 27 - HD2 ARG 26 lone 2 34 - 6 - HB2 PHE 48 - HD3 ARG 71 lone 1 90 - 1 - HD2 ARG 23 - HD3 ARG 26 lone 1 43 - 3 - HD3 ARG 23 - HD3 ARG 26 lone 1 43 - 3 - HD3 ARG 23 - HD2 ARG 26 lone 1 41 - 3 - HD2 ARG 23 - HD2 ARG 26 lone 1 41 - 3 - HD2 ARG 84 - HD3 ARG 26 lone 1 68 - 1 - HD3 ARG 84 - HD3 ARG 26 lone 1 67 - 1 - HD2 ARG 84 - HD2 ARG 26 lone 1 66 - 1 - HD3 ARG 84 - HD2 ARG 26 lone 1 64 - 1 - HD3 ARG 23 - HD2 ARG 66 lone 1 33 - 3 - HD2 ARG 23 - HD2 ARG 66 lone 1 33 - 3 - HD2 ARG 23 - HD3 ARG 66 lone 1 32 - 3 - HD3 ARG 23 - HD3 ARG 66 lone 1 32 - 3 - HD2 ARG 84 - HD3 ARG 70 lone 1 57 - 1 - HD2 ARG 84 - HD2 ARG 70 lone 1 56 - 1 - HD3 ARG 84 - HD3 ARG 70 lone 1 55 - 1 - HD3 ARG 84 - HD2 ARG 70 lone 1 55 - 1 - HD2 ARG 17 - HD3 ARG 70 lone 1 42 - 2 - HD3 ARG 17 - HD3 ARG 70 lone 1 42 - 2 - HD2 ARG 27 - HD2 ARG 66 lone 1 27 - 3 - HD3 ARG 27 - HD2 ARG 66 lone 1 27 - 3 - HD2 ARG 17 - HD2 ARG 70 lone 1 42 - 2 - HD3 ARG 17 - HD2 ARG 70 lone 1 42 - 2 - HD3 ARG 27 - HD3 ARG 66 lone 1 26 - 3 - HD2 ARG 27 - HD3 ARG 66 lone 1 26 - 3 - HD2 ARG 82 - HD3 ARG 71 lone 1 99 - 1 - HD3 ARG 17 - HD2 ARG 66 lone 1 40 - 1 - HD2 ARG 17 - HD2 ARG 66 lone 1 40 - 1 - HD3 ARG 17 - HD3 ARG 66 lone 1 39 - 1 - HD2 ARG 17 - HD3 ARG 66 lone 1 39 - 1 - HB2 PHE 48 - HD2 ARG 66 lone 0 46 - 1 - HB2 PHE 48 - HD3 ARG 66 lone 0 44 - 1 - HB2 PHE 48 - HD3 ARG 70 lone 0 48 - 1 - HB2 PHE 48 - HD2 ARG 70 lone 0 47 - 1 - HD3 ARG 27 - HD3 ARG 70 lone 0 29 - 1 - HD2 ARG 27 - HD3 ARG 70 lone 0 29 - 1 - HD2 ARG 27 - HD2 ARG 70 lone 0 28 - 1 - HD3 ARG 27 - HD2 ARG 70 lone 0 28 - 1 - HD2 ARG 82 - HD3 ARG 26 lone 0 68 - 0 - HD2 ARG 82 - HD2 ARG 26 lone 0 65 - 0 - HD2 ARG 84 - HD2 ARG 66 lone 0 54 - 0 - HD3 ARG 84 - HD2 ARG 66 lone 0 53 - 0 - HD2 ARG 84 - HD3 ARG 66 lone 0 52 - 0 - HD3 ARG 84 - HD3 ARG 66 lone 0 51 - 0 - HD2 ARG 82 - HD2 ARG 66 lone 0 54 - 0 - HD2 ARG 82 - HD3 ARG 70 lone 0 56 - 0 - HB2 PHE 48 - HD3 ARG 26 lone 0 58 - 0 - HD2 ARG 82 - HD2 ARG 70 lone 0 55 - 0 - HD2 ARG 82 - HD3 ARG 66 lone 0 52 - 0 - HB2 PHE 48 - HD2 ARG 26 lone 0 56 - 0 - HD2 ARG 23 - HD3 ARG 70 lone 0 35 - 0 - HD3 ARG 23 - HD3 ARG 70 lone 0 35 - 0 - HD2 ARG 23 - HD2 ARG 70 lone 0 34 - 0 - HD3 ARG 23 - HD2 ARG 70 lone 0 34 - 0 - Peak 2951 from cnoeabs.peaks (3.20, 3.20, 43.10 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: * HD3 ARG 71 + HD3 ARG 71 OK 100 100 - 100 HD3 ARG 70 + HD3 ARG 70 OK 58 58 - 100 HD2 ARG 70 + HD2 ARG 70 OK 57 57 - 100 HD2 ARG 66 + HD2 ARG 66 OK 51 51 - 100 HD3 ARG 66 + HD3 ARG 66 OK 47 47 - 100 HD3 ARG 26 - HD3 ARG 26 OK 43 43 - 100 HD2 ARG 26 - HD2 ARG 26 OK 39 39 - 100 Peak 2952 from cnoeabs.peaks (7.99, 3.96, 46.02 ppm; 3.53 A): 3 out of 5 assignments used, quality = 1.00: * H GLY 72 + HA2 GLY 72 OK 100 100 - 100 - 3.0=100 H LYS 73 + HA2 GLY 72 OK 97 99 - 98 - 3.6=97, 3962/1.8=14...(5) H ARG 69 + HA2 GLY 72 OK 49 99 - 50 - ~15492=9, 5379=7...(17) H ALA 30 - HA2 GLY 72 lone 8 99 - 8 - 4841=1 H ALA 63 - HA2 GLY 72 lone 8 95 - 8 - ~312=1 Peak 2953 from cnoeabs.peaks (3.96, 3.96, 46.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 72 + HA2 GLY 72 OK 100 100 - 100 Peak 2954 from cnoeabs.peaks (3.74, 3.96, 46.02 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 72 + HA2 GLY 72 OK 100 100 - 100 - 1.8=100 Peak 2955 from cnoeabs.peaks (7.99, 3.74, 46.02 ppm; 3.51 A): 2 out of 5 assignments used, quality = 1.00: * H GLY 72 + HA3 GLY 72 OK 100 100 - 100 - 3.0=100 H LYS 73 + HA3 GLY 72 OK 97 99 - 97 - 3.6=96, 3961/1.8=13...(6) H ARG 69 - HA3 GLY 72 OK 40 99 - 41 - ~15492=9, 2952/1.8=7...(13) H ALA 63 - HA3 GLY 72 lone 7 95 - 7 - ~312=1, 2952/1.8=1 H ALA 30 - HA3 GLY 72 lone 5 99 - 5 - 4841/1.8=1 Peak 2956 from cnoeabs.peaks (3.96, 3.74, 46.02 ppm; 2.89 A): 1 out of 10 assignments used, quality = 1.00: * HA2 GLY 72 + HA3 GLY 72 OK 100 100 - 100 - 1.8=100 HA VAL 76 - HA3 GLY 72 OK 13 100 - 13 - 320/3.6=3, 783/3.0=2...(4) HA ALA 28 - HA3 GLY 72 lone 6 100 - 6 - 783/3.0=1 HA ARG 66 - HA3 GLY 72 lone 5 93 - 6 - 783/3.0=1 HA GLN 61 - HA3 GLY 72 lone 4 100 - 4 - HA LYS 32 - HA3 GLY 72 lone 4 93 - 4 - 320/3.6=1, 783/3.0=1 HA GLU 50 - HA3 GLY 72 lone 3 100 - 3 - HA THR 37 - HA3 GLY 72 lone 3 65 - 4 - HA2 GLY 21 - HA3 GLY 72 lone 2 97 - 2 - HA3 GLY 21 - HA3 GLY 72 lone 2 96 - 2 - Peak 2957 from cnoeabs.peaks (3.74, 3.74, 46.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 72 + HA3 GLY 72 OK 100 100 - 100 Peak 2958 from cnoeabs.peaks (8.00, 4.18, 56.67 ppm; 3.52 A): 2 out of 20 assignments used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 99 99 - 100 - 3.0=100 H ALA 30 + HA LEU 29 OK 59 61 - 98 - 3.6=96, 908/3.0=16...(14) H GLY 72 - HA LYS 73 OK 34 98 - 35 - ~3962=4, ~2955=4...(15) H ARG 69 - HA LYS 73 OK 21 91 - 23 - 760/3.0=3, 760/3.0=2...(9) H ALA 63 - HA LEU 29 OK 21 53 - 40 - 908/3.0=6, 3764/3.0=6...(15) H LYS 73 - HA ARG 84 OK 18 97 - 19 - 786=4, 787/3.0=2...(5) H LYS 73 - HA LEU 29 OK 16 70 - 23 - 786=4, 908/3.0=3...(7) H ALA 30 - HA LYS 73 OK 11 91 - 12 - 80=2, 4.6/1484=1, 4.6/545=1 H ALA 30 - HA ARG 84 OK 11 88 - 12 - 5538/3.0=3, 81/3.0=2, 80=1 H GLY 72 - HA LEU 29 poor 10 68 - 14 - 908/3.0=3, 3764/3.0=2...(5) H ALA 63 - HA LYS 73 lone 8 82 - 10 - 726/3.8=1 H GLY 72 - HA ARG 84 lone 8 96 - 8 - 5397/3.6=2, 4.5/786=2 H ARG 69 - HA LEU 29 poor 7 61 - 12 - 908/3.0=3, 3764/3.0=2 H ARG 69 - HA ARG 84 lone 6 88 - 7 - 5825/3.6=2 H LYS 73 - HA ARG 82 poor 6 54 - 11 - 786=3 H ALA 63 - HA ARG 84 lone 3 79 - 3 - H ALA 30 - HA ARG 82 lone 2 46 - 4 - H GLY 72 - HA ARG 82 lone 1 52 - 3 - H ALA 63 - HA ARG 82 lone 1 40 - 2 - H ARG 69 - HA ARG 82 lone 1 46 - 2 - Peak 2959 from cnoeabs.peaks (4.18, 4.18, 56.67 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA LYS 73 + HA LYS 73 OK 97 97 - 100 HA ARG 84 + HA ARG 84 OK 97 97 - 100 HA ARG 82 + HA ARG 82 OK 50 50 - 100 HA LEU 29 - HA LEU 29 OK 42 42 - 100 Peak 2960 from cnoeabs.peaks (1.82, 4.18, 56.67 ppm; 3.00 A): 2 out of 36 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 98 99 - 99 - 3.0=99, 787/3.0=10...(11) HB3 ARG 84 + HA ARG 84 OK 77 77 - 100 - 3.0=100 HB ILE 89 - HA LYS 73 OK 35 99 - 35 - 3605=5, 2.1/3612=4...(18) HB2 LYS 75 - HA LYS 73 OK 20 80 - 26 - 4.6/5431=3, 2969=2...(9) HB2 LYS 85 - HA ARG 84 OK 19 77 - 25 - 4.0/377=7, 1.8/6062=4...(8) HB2 ARG 69 - HA LYS 73 OK 19 80 - 24 - 787/3.0=3, 1.8/2963=2...(6) HB ILE 89 - HA ARG 84 OK 18 97 - 19 - 3605=3, 2.1/3612=2...(6) HB2 LYS 85 - HA LYS 73 OK 18 80 - 23 - 1.8/6062=3, 2969=2...(7) HB2 LYS 73 - HA ARG 84 OK 18 97 - 19 - 2969=2, 2.9/2962=1...(5) HB ILE 89 - HA LEU 29 OK 16 70 - 22 - 2.1/3612=3, 3605=3...(11) HB3 ARG 84 - HA LYS 73 OK 12 80 - 15 - 3384=1, 787/3.0=1...(5) HB2 LYS 73 - HA LEU 29 poor 8 70 - 12 - 4.0/786=1, 2969=1 HB3 ARG 84 - HA LEU 29 poor 7 51 - 13 - 3385/3.0=1, ~546=1, 3384=1 HB2 LYS 75 - HA ARG 84 lone 6 77 - 8 - 3076/3.6=1 HB2 ARG 17 - HA ARG 84 lone 6 83 - 7 - HB2 LYS 73 - HA ARG 82 lone 5 54 - 9 - 2969=1 HB2 ARG 69 - HA ARG 84 lone 3 77 - 4 - HB2 ARG 69 - HA LEU 29 lone 3 51 - 7 - HB2 ARG 17 - HA LYS 73 lone 3 86 - 3 - HB2 LYS 85 - HA LEU 29 lone 3 51 - 6 - 1.8/6062=1 HB2 LYS 75 - HA LEU 29 lone 3 51 - 6 - 4.6/5431=1 HB ILE 89 - HA ARG 82 lone 2 54 - 4 - HB3 ARG 84 - HA ARG 82 lone 2 38 - 6 - HB2 ARG 23 - HA ARG 82 lone 2 33 - 6 - HB3 ARG 23 - HA ARG 82 lone 2 31 - 6 - HB2 LYS 85 - HA ARG 82 lone 2 38 - 4 - HB2 ARG 23 - HA LYS 73 lone 2 71 - 2 - HB3 ARG 23 - HA LYS 73 lone 1 68 - 2 - HB2 ARG 23 - HA ARG 84 lone 1 68 - 2 - HB3 ARG 23 - HA ARG 84 lone 1 65 - 2 - HB2 LYS 75 - HA ARG 82 lone 1 38 - 3 - HB2 ARG 17 - HA LEU 29 lone 1 56 - 1 - HB2 ARG 23 - HA LEU 29 lone 1 44 - 2 - HB3 ARG 23 - HA LEU 29 lone 1 42 - 2 - HB2 ARG 17 - HA ARG 82 lone 1 42 - 1 - HB2 ARG 69 - HA ARG 82 lone 0 38 - 1 - Peak 2961 from cnoeabs.peaks (1.78, 4.18, 56.67 ppm; 2.98 A): 3 out of 72 assignments used, quality = 0.99: * HB3 LYS 73 + HA LYS 73 OK 97 99 - 98 - 3.0=97, 788/3.0=8...(12) HB3 ARG 84 + HA ARG 84 OK 64 65 - 98 - 3.0=98, 4.6/377=6...(15) HB3 ARG 82 + HA ARG 82 OK 47 48 - 99 - 3.0=99, ~5477=6...(9) HB3 LYS 75 - HA LYS 73 OK 24 95 - 25 - 4.6/5431=3, 2979=2...(9) HB3 LYS 32 - HA LYS 73 OK 20 99 - 21 - 788/3.0=2, 3242=2...(4) HB2 LYS 32 - HA LYS 73 OK 20 99 - 21 - 788/3.0=2, 3242=2...(4) HB3 LYS 73 - HA ARG 84 OK 17 97 - 17 - 1.8/2969=2, 2979=2...(4) HB2 LYS 83 - HA ARG 84 OK 15 97 - 16 - 368/3.0=3, 1.8/6062=2...(5) HB2 LYS 85 - HA ARG 84 OK 15 65 - 23 - 4.0/377=7, 1.8/6062=3...(7) HB2 ARG 69 - HA LYS 73 OK 14 68 - 21 - 2792/3.0=2, 1.8/2963=2...(6) HB2 LYS 85 - HA LYS 73 OK 13 68 - 19 - 1.8/6062=3, 4.0/377=2...(5) HB3 LYS 32 - HA LEU 29 OK 12 70 - 17 - 4.3/5188=3, 4.0/4205=2...(7) HB2 LYS 32 - HA LEU 29 OK 12 70 - 17 - 4.3/5188=3, 4.0/4205=2...(7) HB2 LEU 57 - HA LYS 73 OK 11 94 - 11 - 2435/3.6=3, 1.8/2962=1...(4) HB2 LYS 13 - HA LYS 73 OK 11 93 - 11 - 2979=1 HB3 LYS 39 - HA LYS 73 lone 10 98 - 10 - HB3 ARG 84 - HA LYS 73 poor 9 68 - 13 - 4.6/377=1, 3384=1...(4) HB3 ARG 82 - HA LYS 73 lone 9 93 - 9 - 1.8/3235=2, 4.0/5473=1 HB2 LYS 83 - HA LYS 73 lone 8 99 - 8 - 1.8/6062=1 HB3 LYS 73 - HA LEU 29 poor 8 70 - 11 - 4.0/786=1 HB3 ARG 82 - HA ARG 84 lone 7 91 - 8 - 1.8/3235=2, 4.0/5473=1 HB ILE 33 - HA LEU 29 poor 7 66 - 11 - 3.9/5188=4, 4219/4.9=3 HB3 LYS 75 - HA ARG 84 lone 7 93 - 7 - HB3 LYS 32 - HA ARG 84 lone 6 97 - 6 - HB2 LYS 32 - HA ARG 84 lone 6 97 - 6 - HB2 ARG 54 - HA LYS 73 lone 6 93 - 7 - ~5987=1 HB2 LYS 83 - HA ARG 82 poor 6 53 - 12 - 361/3.6=5, 1.8/6062=2, 2979=1 HB3 ARG 82 - HA LEU 29 lone 6 63 - 9 - 1.8/3235=2 HB3 LYS 73 - HA ARG 82 poor 6 54 - 11 - 3287/3.6=1, 2979=1, 1.8/2969=1 HB2 ARG 54 - HA ARG 82 poor 5 48 - 11 - 5476/3.0=2, ~5478=2, 3237/3.0=1 HG3 ARG 71 - HA LYS 73 lone 5 66 - 8 - HB3 ARG 84 - HA LEU 29 poor 5 42 - 13 - ~546=1, 3385/3.0=1 HG3 ARG 71 - HA ARG 84 lone 5 63 - 8 - HB3 LYS 39 - HA ARG 84 lone 4 96 - 4 - HB ILE 33 - HA LYS 73 lone 4 96 - 4 - HB3 LYS 75 - HA LEU 29 lone 4 65 - 6 - 4.6/5431=1 HB2 PRO 34 - HA ARG 82 lone 4 54 - 7 - HB2 LYS 83 - HA LEU 29 lone 4 70 - 5 - HB2 LYS 13 - HA LEU 29 lone 3 63 - 5 - HB2 LYS 32 - HA ARG 82 lone 3 53 - 6 - HB3 LYS 32 - HA ARG 82 lone 3 53 - 6 - HB3 LYS 39 - HA ARG 82 lone 3 53 - 6 - HB2 LEU 57 - HA LEU 29 lone 3 64 - 5 - HB3 LYS 39 - HA LEU 29 lone 3 69 - 4 - HG2 PRO 34 - HA ARG 82 lone 3 41 - 7 - HB2 PRO 34 - HA LYS 73 lone 3 99 - 3 - HB2 ARG 69 - HA ARG 84 lone 3 65 - 4 - HB2 ARG 69 - HA LEU 29 lone 3 42 - 6 - HG2 PRO 34 - HA LYS 73 lone 3 84 - 3 - HB2 LYS 13 - HA ARG 84 lone 2 91 - 3 - HB2 LYS 85 - HA LEU 29 lone 2 42 - 5 - 1.8/6062=1 HG3 ARG 26 - HA ARG 84 lone 2 55 - 4 - HB2 ARG 54 - HA LEU 29 lone 2 63 - 4 - HB2 PRO 34 - HA ARG 84 lone 2 97 - 2 - HB3 ARG 84 - HA ARG 82 lone 2 31 - 6 - HB2 ARG 54 - HA ARG 84 lone 2 91 - 2 - HB3 LYS 75 - HA ARG 82 lone 2 50 - 4 - HG2 PRO 34 - HA ARG 84 lone 2 81 - 2 - HB2 LYS 85 - HA ARG 82 lone 2 31 - 5 - 3287/3.6=1 HB ILE 33 - HA ARG 84 lone 1 94 - 1 - HG3 ARG 26 - HA LYS 73 lone 1 58 - 2 - HB2 LYS 13 - HA ARG 82 lone 1 48 - 3 - HB2 LEU 57 - HA ARG 84 lone 1 92 - 1 - HG3 ARG 71 - HA LEU 29 lone 1 41 - 3 - HB2 PRO 34 - HA LEU 29 lone 1 70 - 1 - HB ILE 33 - HA ARG 82 lone 1 50 - 2 - HG3 ARG 26 - HA LEU 29 lone 1 35 - 2 - HG3 ARG 71 - HA ARG 82 lone 1 30 - 3 - HG2 PRO 34 - HA LEU 29 lone 1 55 - 1 - HB2 LEU 57 - HA ARG 82 lone 1 49 - 1 - HG3 ARG 26 - HA ARG 82 lone 0 26 - 1 - HB2 ARG 69 - HA ARG 82 lone 0 31 - 1 - Peak 2962 from cnoeabs.peaks (1.48, 4.18, 56.67 ppm; 3.82 A): 1 out of 24 assignments used, quality = 0.99: * HG2 LYS 73 + HA LYS 73 OK 99 99 - 100 - 3.8=100 QB ALA 63 - HA LEU 29 OK 29 67 - 44 - ~5348=6, 4681/4.0=5...(20) HG2 LYS 73 - HA ARG 84 OK 25 97 - 26 - 2989=3, 2.9/2969=2...(9) HG3 LYS 85 - HA LYS 73 OK 22 68 - 33 - 2.9/6062=4, 789/3.0=3...(12) HG3 LYS 85 - HA ARG 84 OK 21 65 - 33 - 4.8/377=10, 2.9/6062=5...(11) HB3 LEU 57 - HA LYS 73 OK 18 95 - 18 - 2442/3.6=4, 789/3.0=3...(6) HG3 LYS 13 - HA LYS 73 OK 16 76 - 22 - 2989=2, 789/3.0=2...(5) HB3 LEU 52 - HA LEU 29 OK 10 69 - 15 - ~78=3, 2267/4.9=2...(4) QB ALA 63 - HA LYS 73 OK 10 97 - 10 - 789/3.0=3 HG2 LYS 73 - HA LEU 29 OK 10 70 - 14 - 4.9/786=2, 5534/3.0=1...(5) HB3 LEU 52 - HA LYS 73 lone 7 98 - 7 - 4.6/672=1, 789/3.0=1 HG2 LYS 73 - HA ARG 82 poor 6 54 - 11 - 2989=1, 2.9/2969=1, 1.8/2999=1 HG3 LYS 13 - HA LEU 29 poor 5 48 - 10 - 5534/3.0=1, 2988/3.6=1 HB3 LEU 57 - HA LEU 29 lone 4 65 - 7 - 5534/3.0=1, 4983/3.0=1 HG3 LYS 85 - HA LEU 29 lone 4 42 - 9 - 2.9/6062=1, 5534/3.0=1 HG3 LYS 13 - HA ARG 84 lone 4 73 - 5 - QB ALA 63 - HA ARG 84 lone 2 94 - 3 - HB3 LEU 57 - HA ARG 84 lone 2 93 - 2 - HB3 LEU 52 - HA ARG 84 lone 2 96 - 2 - HG3 LYS 85 - HA ARG 82 lone 2 31 - 6 - 2.9/6062=1 HG3 LYS 13 - HA ARG 82 lone 1 36 - 4 - QB ALA 63 - HA ARG 82 lone 1 51 - 2 - HB3 LEU 57 - HA ARG 82 lone 1 50 - 2 - HB3 LEU 52 - HA ARG 82 lone 1 53 - 1 - Peak 2963 from cnoeabs.peaks (1.39, 4.18, 56.67 ppm; 3.49 A): 3 out of 52 assignments used, quality = 0.96: * HG3 LYS 73 + HA LYS 73 OK 89 99 - 90 - 3.8=80, ~789=8...(19) HG2 LYS 75 + HA LYS 73 OK 40 99 - 41 - 4.9/5431=3, 2999=2...(13) HG3 LYS 75 + HA LYS 73 OK 40 99 - 41 - 4.9/5431=3, 2999=2...(13) HB3 ARG 69 - HA LYS 73 OK 32 97 - 33 - 2800/3.0=3, 2802/3.0=3...(15) HG2 LYS 85 - HA LYS 73 OK 27 95 - 28 - 2.9/6062=4, 2999=3...(11) HG3 ARG 69 - HA LYS 73 OK 27 94 - 28 - 2816/3.0=3, 2818/3.0=2...(12) HG2 LYS 85 - HA ARG 84 OK 26 93 - 28 - 4.8/377=8, 2.9/6062=4...(7) HG3 LYS 73 - HA ARG 84 OK 21 97 - 22 - 1.8/2962=3, 2999=2...(6) HG2 LYS 83 - HA ARG 84 OK 15 79 - 19 - 2.9/6062=3, ~369=2...(9) HG3 LYS 39 - HA LYS 73 OK 13 86 - 15 - 1875/3.0=1, 790/3.0=1 QB ALA 53 - HA LYS 73 OK 11 98 - 12 - 2297=2, 2.9/672=2, 3.6/208=1 QB ALA 78 - HA LYS 73 lone 10 99 - 10 - 2.9/3963=1, 3185/3.6=1 QB ALA 77 - HA LYS 73 poor 9 93 - 10 - 3989/3.6=3, 2.9/3367=1 HG2 LYS 75 - HA ARG 84 lone 9 97 - 9 - 4.9/5431=1, 852/3.6=1 HG3 LYS 75 - HA ARG 84 lone 9 97 - 9 - 4.9/5431=1, 852/3.6=1 HG3 LYS 73 - HA LEU 29 poor 8 70 - 11 - 4.9/786=1, 1.8/2962=1 HG2 LYS 83 - HA LYS 73 lone 7 82 - 8 - 2.9/6062=1, 4.6/359=1 HB3 ARG 69 - HA LEU 29 lone 6 68 - 9 - 3942/3.0=2, ~3941=1 HG3 LYS 75 - HA LEU 29 lone 6 70 - 8 - 4.9/5431=1 HG2 LYS 75 - HA LEU 29 lone 6 70 - 8 - 4.9/5431=1 HG3 LYS 73 - HA ARG 82 poor 6 54 - 11 - 5897/3.6=1, 2999=1...(4) HB3 ARG 69 - HA ARG 84 lone 6 95 - 6 - HG3 LYS 39 - HA ARG 84 lone 6 83 - 7 - HG2 LYS 85 - HA LEU 29 lone 5 65 - 8 - 2.9/6062=1 HG3 ARG 69 - HA LEU 29 lone 5 64 - 8 - 3944/3.0=2 HG3 ARG 69 - HA ARG 84 lone 5 92 - 5 - QB ALA 53 - HA LEU 29 lone 4 69 - 5 - 2.9/672=1 HG3 LYS 39 - HA LEU 29 lone 3 56 - 6 - 5206/4.0=1 QB ALA 78 - HA ARG 84 lone 3 97 - 3 - HG2 LYS 85 - HA ARG 82 lone 3 50 - 7 - 5897/3.6=2, 2.9/6062=1 HG3 LYS 39 - HA ARG 82 lone 3 42 - 7 - ~5478=1 QB ALA 78 - HA ARG 82 lone 3 54 - 5 - ~5473=1, 3.6/823=1 HG2 LYS 83 - HA ARG 82 lone 3 40 - 7 - 2.9/6062=2 HG3 LYS 75 - HA ARG 82 lone 3 54 - 5 - 5897/3.6=1 HG2 LYS 75 - HA ARG 82 lone 3 54 - 5 - 5897/3.6=1 QB ALA 77 - HA ARG 84 lone 3 91 - 3 - QB ALA 53 - HA ARG 84 lone 2 96 - 2 - HG2 LYS 83 - HA LEU 29 lone 2 53 - 4 - QB ALA 77 - HA LEU 29 lone 2 63 - 3 - ~76=1, ~5433=1 QB ALA 20 - HA LYS 73 lone 2 95 - 2 - QB ALA 53 - HA ARG 82 lone 2 53 - 4 - QB ALA 16 - HA ARG 84 lone 1 58 - 3 - QB ALA 20 - HA ARG 84 lone 1 93 - 1 - QB ALA 77 - HA ARG 82 lone 1 48 - 2 - QB ALA 16 - HA LYS 73 lone 1 60 - 2 - HB3 ARG 69 - HA ARG 82 lone 1 52 - 2 - HG3 ARG 69 - HA ARG 82 lone 1 49 - 2 - QB ALA 78 - HA LEU 29 lone 1 70 - 1 - QB ALA 16 - HA LEU 29 lone 1 37 - 2 - QB ALA 20 - HA ARG 82 lone 1 50 - 1 - QB ALA 20 - HA LEU 29 lone 0 65 - 1 - QB ALA 16 - HA ARG 82 lone 0 27 - 2 - Peak 2964 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.44 A): 4 out of 76 assignments used, quality = 0.99: HG2 ARG 84 + HA ARG 84 OK 71 83 - 86 - 3.9=69, 3402/3.0=6...(27) HG3 ARG 84 + HA ARG 84 OK 71 83 - 86 - 3.9=69, 3402/3.0=6...(27) * HD2 LYS 73 + HA LYS 73 OK 63 99 - 64 - 5.2=29, 3.5/2960=6...(17) HD3 LYS 73 + HA LYS 73 OK 63 99 - 64 - 5.2=29, 3.5/2960=6...(17) HB2 LEU 86 - HA LEU 29 OK 30 70 - 43 - 3523/3.0=3, 3526/4.0=3...(20) HG LEU 86 - HA LEU 29 OK 29 63 - 46 - 2.1/1512=3, ~1488=3...(26) HD3 LYS 32 - HA LYS 73 OK 28 99 - 29 - 3019=2, 1.8/3019=2...(9) HD2 LYS 32 - HA LYS 73 OK 28 99 - 28 - 3009=2, 1.8/3019=2...(9) HB3 LEU 62 - HA LEU 29 OK 19 48 - 41 - 1492/3.0=2, 1491=2...(24) HD3 LYS 73 - HA ARG 84 OK 18 97 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HD2 LYS 73 - HA ARG 84 OK 18 97 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HG3 ARG 84 - HA LYS 73 OK 14 86 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 84 - HA LYS 73 OK 14 86 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 17 - HA ARG 84 OK 12 94 - 13 - HG3 ARG 17 - HA ARG 84 OK 12 94 - 13 - HD2 LYS 32 - HA LEU 29 OK 11 70 - 15 - ~1594=2, ~78=1, ~1584=1...(6) HD3 LYS 32 - HA LEU 29 OK 10 70 - 15 - ~1594=2, ~78=1, ~1584=1...(6) HG3 ARG 84 - HA LEU 29 poor 10 56 - 18 - 3.0/3376=1, 3.0/3384=1 HG2 ARG 84 - HA LEU 29 poor 10 56 - 18 - 3.0/3376=1, 3.0/3384=1 HB3 LEU 51 - HA LEU 29 poor 10 64 - 15 - 2227/4.0=2, ~78=2, 1.8/4183=1 HD3 LYS 32 - HA ARG 84 lone 9 97 - 9 - HD2 LYS 32 - HA ARG 84 lone 9 97 - 9 - HG2 ARG 71 - HA ARG 84 lone 9 94 - 9 - HG2 ARG 71 - HA LYS 73 lone 9 96 - 9 - 5.0/2958=1, 791/3.0=1 HD2 LYS 39 - HA LYS 73 poor 9 63 - 14 - HD3 LYS 39 - HA LYS 73 poor 8 60 - 14 - HB3 LEU 62 - HA LYS 73 poor 8 76 - 10 - HB2 LEU 86 - HA LYS 73 lone 7 99 - 7 - HG LEU 86 - HA LYS 73 lone 7 93 - 8 - HG3 ARG 70 - HA LEU 29 lone 7 70 - 9 - ~2864=1, ~546=1 HB3 LEU 51 - HA LYS 73 lone 6 94 - 7 - ~5205=1 HD3 LYS 73 - HA LEU 29 lone 6 70 - 8 - HD2 LYS 73 - HA LEU 29 lone 6 70 - 8 - HG3 ARG 70 - HA LYS 73 lone 6 99 - 6 - 792/3.0=1 HG3 ARG 70 - HA ARG 84 lone 5 97 - 5 - HG2 ARG 17 - HA LYS 73 lone 5 97 - 5 - HG3 ARG 17 - HA LYS 73 lone 5 96 - 5 - HB2 LEU 86 - HA ARG 84 lone 5 97 - 5 - HD2 LYS 73 - HA ARG 82 lone 5 54 - 9 - 5896/3.6=1 HD3 LYS 73 - HA ARG 82 lone 5 54 - 9 - 5896/3.6=1 HG LEU 86 - HA ARG 84 lone 4 91 - 5 - HG2 ARG 26 - HA ARG 84 lone 4 92 - 5 - HB3 LEU 62 - HA ARG 84 lone 4 73 - 5 - HG2 ARG 71 - HA LEU 29 lone 3 66 - 5 - HG2 ARG 27 - HA ARG 84 lone 3 75 - 4 - HG3 ARG 27 - HA ARG 84 lone 3 73 - 4 - HD2 LYS 32 - HA ARG 82 lone 3 54 - 6 - HD3 LYS 32 - HA ARG 82 lone 3 54 - 6 - HG2 ARG 84 - HA ARG 82 lone 3 42 - 7 - 5896/3.6=2 HG3 ARG 84 - HA ARG 82 lone 3 42 - 7 - 5896/3.6=2 HG2 ARG 26 - HA LYS 73 lone 3 94 - 3 - HD2 LYS 39 - HA ARG 84 lone 3 60 - 4 - HD3 LYS 39 - HA ARG 84 lone 3 58 - 4 - HG2 ARG 26 - HA LEU 29 lone 2 64 - 4 - HG2 ARG 17 - HA LEU 29 lone 2 67 - 3 - HG3 ARG 17 - HA LEU 29 lone 2 66 - 3 - HG2 ARG 27 - HA LYS 73 lone 2 78 - 2 - HD2 LYS 39 - HA LEU 29 lone 2 39 - 5 - HG3 ARG 27 - HA LYS 73 lone 2 76 - 2 - HD3 LYS 39 - HA LEU 29 lone 2 37 - 5 - HD2 LYS 39 - HA ARG 82 lone 2 29 - 6 - HD3 LYS 39 - HA ARG 82 lone 2 27 - 6 - HB3 LEU 51 - HA ARG 84 lone 2 92 - 2 - HG2 ARG 71 - HA ARG 82 lone 2 50 - 3 - HG2 ARG 17 - HA ARG 82 lone 1 51 - 3 - HG3 ARG 17 - HA ARG 82 lone 1 50 - 3 - HG2 ARG 27 - HA LEU 29 lone 1 50 - 3 - HG3 ARG 27 - HA LEU 29 lone 1 48 - 3 - HG3 ARG 70 - HA ARG 82 lone 1 54 - 2 - HB2 LEU 86 - HA ARG 82 lone 1 53 - 2 - HG LEU 86 - HA ARG 82 lone 1 48 - 2 - HB3 LEU 62 - HA ARG 82 lone 1 36 - 2 - HG2 ARG 26 - HA ARG 82 lone 1 49 - 2 - HB3 LEU 51 - HA ARG 82 lone 1 49 - 2 - HG2 ARG 27 - HA ARG 82 lone 1 37 - 1 - HG3 ARG 27 - HA ARG 82 lone 0 36 - 1 - Peak 2965 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.44 A): 4 out of 76 assignments used, quality = 0.99: HG2 ARG 84 + HA ARG 84 OK 71 83 - 86 - 3.9=69, 3402/3.0=6...(27) HG3 ARG 84 + HA ARG 84 OK 71 83 - 86 - 3.9=69, 3402/3.0=6...(27) HD2 LYS 73 + HA LYS 73 OK 63 99 - 64 - 5.2=29, 3.5/2960=6...(17) * HD3 LYS 73 + HA LYS 73 OK 63 99 - 64 - 5.2=29, 3.5/2960=6...(17) HB2 LEU 86 - HA LEU 29 OK 30 70 - 43 - 3523/3.0=3, 3526/4.0=3...(20) HG LEU 86 - HA LEU 29 OK 29 63 - 46 - 2.1/1512=3, ~1488=3...(26) HD3 LYS 32 - HA LYS 73 OK 28 99 - 29 - 3019=2, 1.8/3019=2...(9) HD2 LYS 32 - HA LYS 73 OK 28 99 - 28 - 3009=2, 1.8/3019=2...(9) HB3 LEU 62 - HA LEU 29 OK 19 48 - 41 - 1492/3.0=2, 1491=2...(24) HD3 LYS 73 - HA ARG 84 OK 18 97 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HD2 LYS 73 - HA ARG 84 OK 18 97 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HG3 ARG 84 - HA LYS 73 OK 14 86 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 84 - HA LYS 73 OK 14 86 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 17 - HA ARG 84 OK 12 94 - 13 - HG3 ARG 17 - HA ARG 84 OK 12 94 - 13 - HD2 LYS 32 - HA LEU 29 OK 11 70 - 15 - ~1594=2, ~78=1, ~1584=1...(6) HD3 LYS 32 - HA LEU 29 OK 10 70 - 15 - ~1594=2, ~78=1, ~1584=1...(6) HG3 ARG 84 - HA LEU 29 poor 10 56 - 18 - 3.0/3376=1, 3.0/3384=1 HG2 ARG 84 - HA LEU 29 poor 10 56 - 18 - 3.0/3376=1, 3.0/3384=1 HB3 LEU 51 - HA LEU 29 poor 10 64 - 15 - 2227/4.0=2, ~78=2, 1.8/4183=1 HD3 LYS 32 - HA ARG 84 lone 9 97 - 9 - HD2 LYS 32 - HA ARG 84 lone 9 97 - 9 - HG2 ARG 71 - HA ARG 84 lone 9 94 - 9 - HG2 ARG 71 - HA LYS 73 lone 9 96 - 9 - 5.0/2958=1, 791/3.0=1 HD2 LYS 39 - HA LYS 73 poor 9 63 - 14 - HD3 LYS 39 - HA LYS 73 poor 8 60 - 14 - HB3 LEU 62 - HA LYS 73 poor 8 76 - 10 - HB2 LEU 86 - HA LYS 73 lone 7 99 - 7 - HG LEU 86 - HA LYS 73 lone 7 93 - 8 - HG3 ARG 70 - HA LEU 29 lone 7 70 - 9 - ~2864=1, ~546=1 HB3 LEU 51 - HA LYS 73 lone 6 94 - 7 - ~5205=1 HD3 LYS 73 - HA LEU 29 lone 6 70 - 8 - HD2 LYS 73 - HA LEU 29 lone 6 70 - 8 - HG3 ARG 70 - HA LYS 73 lone 6 99 - 6 - 792/3.0=1 HG3 ARG 70 - HA ARG 84 lone 5 97 - 5 - HG2 ARG 17 - HA LYS 73 lone 5 97 - 5 - HG3 ARG 17 - HA LYS 73 lone 5 96 - 5 - HB2 LEU 86 - HA ARG 84 lone 5 97 - 5 - HD2 LYS 73 - HA ARG 82 lone 5 54 - 9 - 5896/3.6=1 HD3 LYS 73 - HA ARG 82 lone 5 54 - 9 - 5896/3.6=1 HG LEU 86 - HA ARG 84 lone 4 91 - 5 - HG2 ARG 26 - HA ARG 84 lone 4 92 - 5 - HB3 LEU 62 - HA ARG 84 lone 4 73 - 5 - HG2 ARG 71 - HA LEU 29 lone 3 66 - 5 - HG2 ARG 27 - HA ARG 84 lone 3 75 - 4 - HG3 ARG 27 - HA ARG 84 lone 3 73 - 4 - HD2 LYS 32 - HA ARG 82 lone 3 54 - 6 - HD3 LYS 32 - HA ARG 82 lone 3 54 - 6 - HG2 ARG 84 - HA ARG 82 lone 3 42 - 7 - 5896/3.6=2 HG3 ARG 84 - HA ARG 82 lone 3 42 - 7 - 5896/3.6=2 HG2 ARG 26 - HA LYS 73 lone 3 94 - 3 - HD2 LYS 39 - HA ARG 84 lone 3 60 - 4 - HD3 LYS 39 - HA ARG 84 lone 3 58 - 4 - HG2 ARG 26 - HA LEU 29 lone 2 64 - 4 - HG2 ARG 17 - HA LEU 29 lone 2 67 - 3 - HG3 ARG 17 - HA LEU 29 lone 2 66 - 3 - HG2 ARG 27 - HA LYS 73 lone 2 78 - 2 - HD2 LYS 39 - HA LEU 29 lone 2 39 - 5 - HG3 ARG 27 - HA LYS 73 lone 2 76 - 2 - HD3 LYS 39 - HA LEU 29 lone 2 37 - 5 - HD2 LYS 39 - HA ARG 82 lone 2 29 - 6 - HD3 LYS 39 - HA ARG 82 lone 2 27 - 6 - HB3 LEU 51 - HA ARG 84 lone 2 92 - 2 - HG2 ARG 71 - HA ARG 82 lone 2 50 - 3 - HG2 ARG 17 - HA ARG 82 lone 1 51 - 3 - HG3 ARG 17 - HA ARG 82 lone 1 50 - 3 - HG2 ARG 27 - HA LEU 29 lone 1 50 - 3 - HG3 ARG 27 - HA LEU 29 lone 1 48 - 3 - HG3 ARG 70 - HA ARG 82 lone 1 54 - 2 - HB2 LEU 86 - HA ARG 82 lone 1 53 - 2 - HG LEU 86 - HA ARG 82 lone 1 48 - 2 - HB3 LEU 62 - HA ARG 82 lone 1 36 - 2 - HG2 ARG 26 - HA ARG 82 lone 1 49 - 2 - HB3 LEU 51 - HA ARG 82 lone 1 49 - 2 - HG2 ARG 27 - HA ARG 82 lone 1 37 - 1 - HG3 ARG 27 - HA ARG 82 lone 0 36 - 1 - Peak 2968 from cnoeabs.peaks (8.00, 1.82, 32.45 ppm; 3.82 A): 2 out of 15 assignments used, quality = 0.96: * H LYS 73 + HB2 LYS 73 OK 94 100 - 94 - 4.0=84, 789/2.9=16...(14) H GLY 72 + HB2 LYS 73 OK 37 99 - 38 - 4.5/787=9, 3.0/5844=6...(10) H ARG 69 - HB2 LYS 73 OK 31 93 - 33 - 760=4, 760/1.8=3...(17) H LYS 73 - HB2 LYS 75 OK 24 77 - 31 - 787=5, 788/1.8=3...(13) H LYS 73 - HB2 LYS 85 OK 21 78 - 27 - 787=4, 789/2.9=3...(10) H ARG 69 - HB2 LYS 75 OK 21 67 - 31 - 940/4.6=5, 760/1.8=5...(10) H GLY 72 - HB2 LYS 75 OK 15 75 - 21 - 5397/4.0=4, 3.0/5844=3...(8) H ARG 69 - HB2 LYS 85 OK 12 68 - 17 - 760=3, 5825/4.0=2...(7) H GLY 72 - HB2 LYS 85 poor 9 76 - 11 - 5397/4.0=2, 4.5/787=2 H ALA 30 - HB2 LYS 73 lone 8 93 - 9 - 80/3.0=2 H ALA 63 - HB2 LYS 73 lone 8 85 - 9 - 726/2.9=2 H ALA 30 - HB2 LYS 85 lone 5 68 - 8 - 81/1.8=2, 553/2.9=1 H ALA 30 - HB2 LYS 75 lone 5 67 - 7 - 79/4.6=2 H ALA 63 - HB2 LYS 75 lone 2 59 - 3 - H ALA 63 - HB2 LYS 85 lone 1 60 - 2 - Peak 2969 from cnoeabs.peaks (4.18, 1.82, 32.45 ppm; 3.41 A): 1 out of 27 assignments used, quality = 0.99: * HA LYS 73 + HB2 LYS 73 OK 99 99 - 100 - 3.0=100 HA ILE 89 - HB2 LYS 73 OK 35 90 - 39 - 3599=6, 3.2/3613=5...(14) HA ARG 84 - HB2 LYS 85 OK 26 78 - 34 - 377/4.0=10, 6062/1.8=5...(11) HA LYS 73 - HB2 LYS 75 OK 26 74 - 35 - 5431/4.6=3, 3.0/787=3...(12) HA ARG 84 - HB2 LYS 73 OK 24 100 - 24 - 2960=2, 2962/2.9=2...(6) HA LYS 73 - HB2 LYS 85 OK 22 75 - 30 - 6062/1.8=4, 3.0/787=3...(10) HA ILE 89 - HB2 LYS 85 OK 15 65 - 23 - 6062/1.8=3, 3599=3...(10) HA ARG 82 - HB2 LYS 73 OK 13 98 - 13 - 6051/1.8=2, 5446/2.9=1 HA LEU 29 - HB2 LYS 73 OK 11 71 - 16 - 786/4.0=2, 2960=1 HA ALA 53 - HB2 LYS 73 OK 10 78 - 13 - 2295/2.9=2, 4.8/5061=1...(4) HA ARG 84 - HB2 LYS 75 lone 7 77 - 10 - 5431/4.6=1 HA ALA 78 - HB2 LYS 73 lone 7 81 - 9 - HA GLN 79 - HB2 LYS 73 lone 6 96 - 7 - 6051/1.8=1 HA ILE 89 - HB2 LYS 75 lone 6 64 - 10 - 3599=1, 3.2/3613=1, 4.2/3634=1 HA GLN 79 - HB2 LYS 75 lone 5 69 - 8 - 5431/4.6=3, 5446/2.7=1...(4) HA ARG 82 - HB2 LYS 85 lone 4 74 - 6 - 6062/1.8=1 HA LEU 29 - HB2 LYS 85 lone 4 48 - 8 - 6062/1.8=1 HA LEU 29 - HB2 LYS 75 lone 4 47 - 8 - 5431/4.6=1 HA ALA 78 - HB2 LYS 75 lone 3 55 - 6 - 5431/4.6=1 HA ARG 82 - HB2 LYS 75 lone 3 73 - 4 - HA ALA 53 - HB2 LYS 75 lone 3 53 - 6 - HA GLN 79 - HB2 LYS 85 lone 3 70 - 4 - HB THR 15 - HB2 LYS 85 lone 2 61 - 4 - HA ALA 78 - HB2 LYS 85 lone 2 56 - 4 - HB THR 15 - HB2 LYS 73 lone 2 87 - 2 - HA ALA 53 - HB2 LYS 85 lone 2 54 - 3 - HB THR 15 - HB2 LYS 75 lone 2 60 - 2 - Peak 2970 from cnoeabs.peaks (1.82, 1.82, 32.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB2 LYS 85 + HB2 LYS 85 OK 58 58 - 100 HB2 LYS 75 + HB2 LYS 75 OK 57 57 - 100 Peak 2971 from cnoeabs.peaks (1.78, 1.82, 32.45 ppm; 2.40 A): 2 out of 53 assignments used, quality = 1.00: * HB3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 1.8=100 HB3 LYS 75 + HB2 LYS 75 OK 72 72 - 100 - 1.8=100 HB3 LYS 39 - HB2 LYS 75 OK 17 75 - 23 - 3069/3.0=2, 3.0/1834=1...(4) HB3 LYS 75 - HB2 LYS 73 OK 16 97 - 17 - 3.0/3068=1 HB3 LYS 73 - HB2 LYS 75 OK 13 77 - 18 - 3069/3.0=1, 2.9/2972=1 HB3 LYS 32 - HB2 LYS 73 OK 13 100 - 13 - HB2 LYS 32 - HB2 LYS 73 OK 13 100 - 13 - HB3 LYS 73 - HB2 LYS 85 OK 12 78 - 15 - 3299/1.8=1 HB2 LYS 85 - HB2 LYS 73 OK 10 71 - 15 - HB2 LYS 13 - HB2 LYS 75 OK 10 69 - 15 - 3069/3.0=1, ~1011=1 HB2 LYS 13 - HB2 LYS 73 poor 10 96 - 10 - HB2 ARG 69 - HB2 LYS 73 poor 9 71 - 13 - 1.8/2802=1 HB3 LYS 75 - HB2 LYS 85 poor 8 73 - 11 - 3299/1.8=1 HB3 ARG 84 - HB2 LYS 73 poor 8 71 - 11 - 1.8/3378=1 HB2 LYS 83 - HB2 LYS 85 lone 7 77 - 10 - 3299/1.8=1, 1.8/3445=1 HB2 LYS 13 - HB2 LYS 85 poor 7 70 - 10 - 3299/1.8=1 HB2 LEU 57 - HB2 LYS 73 lone 7 97 - 7 - 2435/4.3=1 HB3 LYS 39 - HB2 LYS 73 lone 7 100 - 7 - HB2 ARG 69 - HB2 LYS 75 poor 6 47 - 13 - 341/4.6=1, ~2802=1, 3069/3.0=1 HB2 LYS 85 - HB2 LYS 75 poor 6 47 - 13 - 3069/3.0=1 HB2 LYS 83 - HB2 LYS 73 lone 6 100 - 6 - HB3 ARG 84 - HB2 LYS 85 poor 6 48 - 12 - 1.8/3378=2, 3385/1.8=2 HB3 ARG 82 - HB2 LYS 73 lone 5 96 - 5 - HB2 LYS 83 - HB2 LYS 75 lone 4 76 - 5 - HB2 LYS 32 - HB2 LYS 75 lone 3 76 - 5 - HB3 LYS 32 - HB2 LYS 75 lone 3 76 - 5 - HB2 ARG 69 - HB2 LYS 85 lone 3 48 - 7 - HB2 ARG 54 - HB2 LYS 73 lone 3 96 - 3 - HG3 ARG 71 - HB2 LYS 73 lone 3 68 - 4 - HB3 LYS 39 - HB2 LYS 85 lone 3 77 - 4 - HB ILE 33 - HB2 LYS 73 lone 2 98 - 2 - HG2 PRO 34 - HB2 LYS 73 lone 2 87 - 2 - HB3 ARG 84 - HB2 LYS 75 lone 2 47 - 3 - HB3 LYS 32 - HB2 LYS 85 lone 2 77 - 2 - HB2 LYS 32 - HB2 LYS 85 lone 2 77 - 2 - HB2 PRO 34 - HB2 LYS 73 lone 1 100 - 1 - HB2 ARG 54 - HB2 LYS 75 lone 1 69 - 2 - HB3 ARG 82 - HB2 LYS 85 lone 1 70 - 2 - HB2 LEU 57 - HB2 LYS 75 lone 1 70 - 2 - HB3 ARG 82 - HB2 LYS 75 lone 1 69 - 2 - HB ILE 33 - HB2 LYS 85 lone 1 74 - 1 - HG3 ARG 71 - HB2 LYS 75 lone 1 45 - 2 - HB2 LEU 57 - HB2 LYS 85 lone 1 72 - 1 - HB2 PRO 34 - HB2 LYS 75 lone 1 77 - 1 - HB ILE 33 - HB2 LYS 75 lone 1 73 - 1 - HG3 ARG 26 - HB2 LYS 73 lone 1 60 - 1 - HG2 PRO 34 - HB2 LYS 75 lone 1 60 - 1 - HG3 ARG 71 - HB2 LYS 85 lone 1 46 - 1 - HB2 PRO 34 - HB2 LYS 85 lone 1 78 - 1 - HB2 ARG 54 - HB2 LYS 85 lone 0 70 - 1 - HG2 PRO 34 - HB2 LYS 85 lone 0 61 - 1 - HG3 ARG 26 - HB2 LYS 85 lone 0 40 - 0 - HG3 ARG 26 - HB2 LYS 75 lone 0 39 - 0 - Peak 2972 from cnoeabs.peaks (1.48, 1.82, 32.45 ppm; 3.57 A): 2 out of 18 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 85 + HB2 LYS 85 OK 48 48 - 100 - 2.9=100 HG2 LYS 73 - HB2 LYS 75 OK 32 77 - 42 - 2990=4, 2993/2.7=2...(17) HG2 LYS 73 - HB2 LYS 85 OK 25 78 - 33 - 2990=3, ~3447=2...(12) HG3 LYS 85 - HB2 LYS 73 OK 23 71 - 33 - 2990=2, 789/4.0=2...(9) HG3 LYS 13 - HB2 LYS 73 OK 21 78 - 27 - 2990=2, ~1021=2...(7) HG3 LYS 13 - HB2 LYS 75 OK 19 53 - 36 - ~1021=3, 2990=2...(14) HB3 LEU 57 - HB2 LYS 73 OK 19 97 - 19 - 2442/4.3=3, 789/4.0=2...(5) HG3 LYS 85 - HB2 LYS 75 OK 12 47 - 26 - 5849/4.0=2, 3464/3.0=1...(8) HG3 LYS 13 - HB2 LYS 85 OK 12 54 - 22 - 1.8/1021=2, 3448/1.8=2...(7) QB ALA 63 - HB2 LYS 73 lone 10 99 - 10 - 789/4.0=2 HB3 LEU 52 - HB2 LYS 73 lone 7 100 - 7 - HB3 LEU 57 - HB2 LYS 75 lone 3 72 - 4 - QB ALA 63 - HB2 LYS 75 lone 3 73 - 4 - HB3 LEU 57 - HB2 LYS 85 lone 2 73 - 3 - HB3 LEU 52 - HB2 LYS 85 lone 1 77 - 2 - QB ALA 63 - HB2 LYS 85 lone 1 75 - 2 - HB3 LEU 52 - HB2 LYS 75 lone 1 75 - 1 - Peak 2973 from cnoeabs.peaks (1.39, 1.82, 32.45 ppm; 3.42 A): 6 out of 39 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HB2 LYS 75 OK 77 77 - 100 - 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 77 77 - 100 - 2.7=100 HG2 LYS 85 + HB2 LYS 85 OK 73 73 - 100 - 2.9=100 HG2 LYS 75 + HB2 LYS 73 OK 47 100 - 47 - 3.9/3068=2, 2963/3.0=2...(15) HG3 LYS 75 + HB2 LYS 73 OK 47 100 - 47 - 3.9/3068=2, 2963/3.0=2...(15) HB3 ARG 69 - HB2 LYS 73 OK 35 99 - 35 - 2802=4, 2802/1.8=3...(16) HG2 LYS 85 - HB2 LYS 73 OK 30 97 - 31 - 3000=2, 1.8/2990=2...(9) HG3 ARG 69 - HB2 LYS 73 OK 29 97 - 31 - 2818=3, 2818/1.8=2...(10) HG3 LYS 73 - HB2 LYS 75 OK 28 77 - 37 - 3070/3.0=3, 1.8/2990=3...(14) HG3 LYS 39 - HB2 LYS 75 OK 27 62 - 44 - 1873/3.0=4, 1.8/1864=3...(18) HG2 LYS 75 - HB2 LYS 85 OK 24 78 - 31 - 3447/1.8=2, 3427/3.0=2...(5) HG3 LYS 75 - HB2 LYS 85 OK 24 78 - 31 - 3447/1.8=2, 3427/3.0=2...(5) HG3 LYS 73 - HB2 LYS 85 OK 24 78 - 31 - 3447/1.8=2, 1.8/2990=2...(11) HB3 ARG 69 - HB2 LYS 75 OK 21 74 - 29 - 2802/1.8=4, 3942/4.6=3...(13) HG3 LYS 39 - HB2 LYS 73 OK 19 89 - 21 - 1875/1.8=2, ~1865=1, ~1867=1 HG3 ARG 69 - HB2 LYS 75 OK 17 70 - 25 - 3944/4.6=3, 2818/1.8=3...(8) HG2 LYS 85 - HB2 LYS 75 OK 16 72 - 23 - 3071/3.0=2, 3000=1...(4) HB3 ARG 69 - HB2 LYS 85 OK 15 75 - 20 - 2802=3, 3.0/2818=1...(7) QB ALA 53 - HB2 LYS 73 OK 13 100 - 13 - 2297/3.0=2, 4.9/5061=1...(5) HG3 ARG 69 - HB2 LYS 85 OK 12 72 - 17 - 2818=2, 3.0/2802=2...(5) HG2 LYS 83 - HB2 LYS 85 OK 11 60 - 18 - 3447/1.8=1, 2.9/3445=1 QB ALA 78 - HB2 LYS 73 lone 9 100 - 8 - QB ALA 77 - HB2 LYS 73 lone 8 96 - 8 - 3989/4.3=3 HG2 LYS 83 - HB2 LYS 73 lone 7 85 - 9 - QB ALA 77 - HB2 LYS 75 lone 6 69 - 9 - ~817=1, 5066/4.6=1, 805/4.0=1 HG3 LYS 39 - HB2 LYS 85 lone 6 63 - 9 - HG2 LYS 83 - HB2 LYS 75 lone 4 59 - 7 - QB ALA 77 - HB2 LYS 85 lone 4 70 - 6 - QB ALA 78 - HB2 LYS 75 lone 4 77 - 5 - QB ALA 78 - HB2 LYS 85 lone 4 78 - 4 - QB ALA 53 - HB2 LYS 75 lone 4 75 - 5 - QB ALA 20 - HB2 LYS 75 lone 2 72 - 3 - QB ALA 53 - HB2 LYS 85 lone 2 77 - 3 - QB ALA 20 - HB2 LYS 73 lone 2 97 - 2 - QB ALA 20 - HB2 LYS 85 lone 1 73 - 2 - QB ALA 16 - HB2 LYS 73 lone 1 63 - 2 - QB ALA 16 - HB2 LYS 85 lone 1 42 - 2 - QB ALA 16 - HB2 LYS 75 lone 0 41 - 1 - Peak 2974 from cnoeabs.peaks (1.61, 1.82, 32.45 ppm; 3.88 A): 3 out of 57 assignments used, quality = 1.00: HD3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.5=100 * HD2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.5=100 HD3 LYS 32 + HB2 LYS 73 OK 45 100 - 46 - 3020=3, 2994/2.9=2...(22) HD2 LYS 32 - HB2 LYS 73 OK 45 100 - 45 - 3020=2, 1.8/3010=2...(22) HD3 LYS 73 - HB2 LYS 75 OK 34 77 - 45 - 2.9/2972=3, 3010=2...(14) HD2 LYS 73 - HB2 LYS 75 OK 34 77 - 45 - 2.9/2972=3, 3010=2...(14) HD2 LYS 73 - HB2 LYS 85 OK 26 78 - 33 - 2.9/2972=2, ~3448=2...(15) HD3 LYS 73 - HB2 LYS 85 OK 26 78 - 33 - 2.9/2972=2, ~3448=2...(15) HG3 ARG 84 - HB2 LYS 73 OK 23 89 - 27 - 3.0/3378=2, 3.9/2969=2...(5) HG2 ARG 84 - HB2 LYS 73 OK 23 89 - 27 - 3.0/3378=2, 3.9/2969=2...(5) HD2 LYS 39 - HB2 LYS 75 OK 20 43 - 46 - 3.0/1864=3, 3.0/1874=3...(23) HD3 LYS 39 - HB2 LYS 75 OK 19 41 - 47 - 3.0/1864=3, 3.0/1874=3...(23) HD2 LYS 39 - HB2 LYS 73 OK 16 65 - 25 - ~1865=1, ~1875=1 HD3 LYS 39 - HB2 LYS 73 OK 16 63 - 25 - ~1865=1, ~1875=1 HG3 ARG 84 - HB2 LYS 85 OK 15 63 - 25 - 3.0/3378=3, 3.9/2969=2...(7) HG2 ARG 84 - HB2 LYS 85 OK 15 63 - 25 - 3.0/3378=3, 3.9/2969=2...(7) HD3 LYS 32 - HB2 LYS 75 OK 14 77 - 18 - HD2 LYS 32 - HB2 LYS 75 OK 14 77 - 18 - HB3 LEU 51 - HB2 LYS 73 OK 13 97 - 13 - ~5205=2, ~5255=1, ~6094=1 HG2 ARG 71 - HB2 LYS 73 OK 12 98 - 12 - 5.0/2968=2, 791/4.0=1 HG3 ARG 70 - HB2 LYS 73 OK 11 100 - 12 - 4.0/5061=4, 4.9/297=1, 792/4.0=1 HB2 LEU 86 - HB2 LYS 73 OK 11 100 - 11 - HG LEU 86 - HB2 LYS 73 OK 11 96 - 11 - HB2 LEU 86 - HB2 LYS 85 OK 11 77 - 14 - 860/4.6=8 HB3 LEU 51 - HB2 LYS 75 poor 9 70 - 12 - ~5205=3, ~6094=1...(5) HB3 LEU 62 - HB2 LYS 73 poor 8 78 - 11 - HG2 ARG 17 - HB2 LYS 73 lone 8 99 - 8 - HG3 ARG 17 - HB2 LYS 73 lone 8 98 - 8 - HG LEU 86 - HB2 LYS 85 poor 8 70 - 12 - 5894/4.6=5 HG3 ARG 70 - HB2 LYS 85 lone 7 78 - 9 - 4.0/5061=2, 4.9/297=1 HD3 LYS 32 - HB2 LYS 85 lone 6 78 - 8 - HG3 ARG 70 - HB2 LYS 75 lone 6 77 - 8 - 4.0/5061=3 HD2 LYS 32 - HB2 LYS 85 lone 6 78 - 7 - HG2 ARG 71 - HB2 LYS 75 lone 5 73 - 7 - HG2 ARG 17 - HB2 LYS 85 lone 4 75 - 5 - 860/4.6=1 HD2 LYS 39 - HB2 LYS 85 lone 4 44 - 8 - HG3 ARG 17 - HB2 LYS 85 lone 4 74 - 5 - 860/4.6=1 HG3 ARG 84 - HB2 LYS 75 lone 4 62 - 6 - HG2 ARG 84 - HB2 LYS 75 lone 4 62 - 6 - HD3 LYS 39 - HB2 LYS 85 lone 4 42 - 8 - HG2 ARG 26 - HB2 LYS 73 lone 3 97 - 3 - HG2 ARG 71 - HB2 LYS 85 lone 3 74 - 5 - HB3 LEU 62 - HB2 LYS 85 lone 3 54 - 5 - 3520/4.6=2 HG2 ARG 17 - HB2 LYS 75 lone 2 73 - 3 - HG2 ARG 27 - HB2 LYS 73 lone 2 81 - 3 - HG3 ARG 17 - HB2 LYS 75 lone 2 73 - 3 - HG3 ARG 27 - HB2 LYS 73 lone 2 78 - 3 - HG LEU 86 - HB2 LYS 75 lone 2 69 - 3 - HB2 LEU 86 - HB2 LYS 75 lone 2 76 - 3 - HB3 LEU 51 - HB2 LYS 85 lone 2 72 - 3 - HG2 ARG 26 - HB2 LYS 85 lone 2 72 - 2 - HB3 LEU 62 - HB2 LYS 75 lone 1 53 - 3 - HG2 ARG 27 - HB2 LYS 75 lone 1 55 - 2 - HG3 ARG 27 - HB2 LYS 75 lone 1 53 - 2 - HG2 ARG 26 - HB2 LYS 75 lone 1 70 - 1 - HG2 ARG 27 - HB2 LYS 85 lone 1 56 - 2 - HG3 ARG 27 - HB2 LYS 85 lone 1 54 - 2 - Peak 2975 from cnoeabs.peaks (1.61, 1.82, 32.45 ppm; 3.88 A): 3 out of 57 assignments used, quality = 1.00: * HD3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.5=100 HD2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.5=100 HD3 LYS 32 + HB2 LYS 73 OK 45 100 - 46 - 3020=3, 2994/2.9=2...(22) HD2 LYS 32 - HB2 LYS 73 OK 45 100 - 45 - 3020=2, 1.8/3010=2...(22) HD3 LYS 73 - HB2 LYS 75 OK 34 77 - 45 - 2.9/2972=3, 3010=2...(14) HD2 LYS 73 - HB2 LYS 75 OK 34 77 - 45 - 2.9/2972=3, 3010=2...(14) HD2 LYS 73 - HB2 LYS 85 OK 26 78 - 33 - 2.9/2972=2, ~3448=2...(15) HD3 LYS 73 - HB2 LYS 85 OK 26 78 - 33 - 2.9/2972=2, ~3448=2...(15) HG3 ARG 84 - HB2 LYS 73 OK 23 89 - 27 - 3.0/3378=2, 3.9/2969=2...(5) HG2 ARG 84 - HB2 LYS 73 OK 23 89 - 27 - 3.0/3378=2, 3.9/2969=2...(5) HD2 LYS 39 - HB2 LYS 75 OK 20 43 - 46 - 3.0/1864=3, 3.0/1874=3...(23) HD3 LYS 39 - HB2 LYS 75 OK 19 41 - 47 - 3.0/1864=3, 3.0/1874=3...(23) HD2 LYS 39 - HB2 LYS 73 OK 16 65 - 25 - ~1865=1, ~1875=1 HD3 LYS 39 - HB2 LYS 73 OK 16 63 - 25 - ~1865=1, ~1875=1 HG3 ARG 84 - HB2 LYS 85 OK 15 63 - 25 - 3.0/3378=3, 3.9/2969=2...(7) HG2 ARG 84 - HB2 LYS 85 OK 15 63 - 25 - 3.0/3378=3, 3.9/2969=2...(7) HD3 LYS 32 - HB2 LYS 75 OK 14 77 - 18 - HD2 LYS 32 - HB2 LYS 75 OK 14 77 - 18 - HB3 LEU 51 - HB2 LYS 73 OK 13 97 - 13 - ~5205=2, ~5255=1, ~6094=1 HG2 ARG 71 - HB2 LYS 73 OK 12 98 - 12 - 5.0/2968=2, 791/4.0=1 HG3 ARG 70 - HB2 LYS 73 OK 11 100 - 12 - 4.0/5061=4, 4.9/297=1, 792/4.0=1 HB2 LEU 86 - HB2 LYS 73 OK 11 100 - 11 - HG LEU 86 - HB2 LYS 73 OK 11 96 - 11 - HB2 LEU 86 - HB2 LYS 85 OK 11 77 - 14 - 860/4.6=8 HB3 LEU 51 - HB2 LYS 75 poor 9 70 - 12 - ~5205=3, ~6094=1...(5) HB3 LEU 62 - HB2 LYS 73 poor 8 78 - 11 - HG2 ARG 17 - HB2 LYS 73 lone 8 99 - 8 - HG3 ARG 17 - HB2 LYS 73 lone 8 98 - 8 - HG LEU 86 - HB2 LYS 85 poor 8 70 - 12 - 5894/4.6=5 HG3 ARG 70 - HB2 LYS 85 lone 7 78 - 9 - 4.0/5061=2, 4.9/297=1 HD3 LYS 32 - HB2 LYS 85 lone 6 78 - 8 - HG3 ARG 70 - HB2 LYS 75 lone 6 77 - 8 - 4.0/5061=3 HD2 LYS 32 - HB2 LYS 85 lone 6 78 - 7 - HG2 ARG 71 - HB2 LYS 75 lone 5 73 - 7 - HG2 ARG 17 - HB2 LYS 85 lone 4 75 - 5 - 860/4.6=1 HD2 LYS 39 - HB2 LYS 85 lone 4 44 - 8 - HG3 ARG 17 - HB2 LYS 85 lone 4 74 - 5 - 860/4.6=1 HG3 ARG 84 - HB2 LYS 75 lone 4 62 - 6 - HG2 ARG 84 - HB2 LYS 75 lone 4 62 - 6 - HD3 LYS 39 - HB2 LYS 85 lone 4 42 - 8 - HG2 ARG 26 - HB2 LYS 73 lone 3 97 - 3 - HG2 ARG 71 - HB2 LYS 85 lone 3 74 - 5 - HB3 LEU 62 - HB2 LYS 85 lone 3 54 - 5 - 3520/4.6=2 HG2 ARG 17 - HB2 LYS 75 lone 2 73 - 3 - HG2 ARG 27 - HB2 LYS 73 lone 2 81 - 3 - HG3 ARG 17 - HB2 LYS 75 lone 2 73 - 3 - HG3 ARG 27 - HB2 LYS 73 lone 2 78 - 3 - HG LEU 86 - HB2 LYS 75 lone 2 69 - 3 - HB2 LEU 86 - HB2 LYS 75 lone 2 76 - 3 - HB3 LEU 51 - HB2 LYS 85 lone 2 72 - 3 - HG2 ARG 26 - HB2 LYS 85 lone 2 72 - 2 - HB3 LEU 62 - HB2 LYS 75 lone 1 53 - 3 - HG2 ARG 27 - HB2 LYS 75 lone 1 55 - 2 - HG3 ARG 27 - HB2 LYS 75 lone 1 53 - 2 - HG2 ARG 26 - HB2 LYS 75 lone 1 70 - 1 - HG2 ARG 27 - HB2 LYS 85 lone 1 56 - 2 - HG3 ARG 27 - HB2 LYS 85 lone 1 54 - 2 - Peak 2976 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.86 A): 8 out of 36 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 73 74 - 98 - 5.0=94, ~3073=6, ~3072=6...(45) HE2 LYS 75 + HB2 LYS 75 OK 72 73 - 98 - 5.0=94, ~3073=6, ~3072=6...(45) HE3 LYS 75 + HB2 LYS 73 OK 59 99 - 60 - 6146/2.9=3, 2997/2.9=2...(32) HE2 LYS 75 + HB2 LYS 73 OK 58 99 - 60 - 6146/2.9=3, 2997/2.9=2...(32) HE2 LYS 32 + HB2 LYS 73 OK 47 100 - 47 - 3.0/3020=2, 3.0/3010=2...(22) HE3 LYS 32 + HB2 LYS 73 OK 47 100 - 47 - 3.0/3010=2, 3.0/3010=2...(22) HE3 LYS 13 - HB2 LYS 73 OK 37 95 - 39 - 3.8/2972=2, 6146/2.9=2...(10) HE2 LYS 13 - HB2 LYS 73 OK 37 93 - 39 - 3.8/2972=2, 6146/2.9=2...(10) HE3 LYS 13 - HB2 LYS 75 OK 35 68 - 52 - ~3073=3, ~3072=3...(30) HE2 LYS 13 - HB2 LYS 75 OK 34 67 - 52 - ~3073=3, ~3072=3...(30) HE3 LYS 73 - HB2 LYS 75 OK 32 77 - 42 - 3.7/2972=4, 3075/3.0=2...(13) HE2 LYS 73 - HB2 LYS 75 OK 32 77 - 42 - 3.7/2972=4, 3075/3.0=2...(13) HE3 LYS 75 - HB2 LYS 85 OK 26 75 - 34 - ~3447=2, 6146/2.9=2...(8) HE2 LYS 75 - HB2 LYS 85 OK 26 75 - 34 - ~3447=2, 6146/2.9=2...(8) HE2 LYS 39 - HB2 LYS 75 OK 22 49 - 46 - 3.6/1864=4, 3.6/1874=4...(17) HE3 LYS 73 - HB2 LYS 85 OK 22 78 - 28 - 3.7/2972=3, 3.7/3000=1...(8) HE2 LYS 73 - HB2 LYS 85 OK 22 78 - 28 - 3.7/2972=3, 3.7/3000=1...(8) HE3 LYS 39 - HB2 LYS 75 OK 20 45 - 46 - 3.6/1864=4, 3.6/1874=4...(17) HE2 LYS 39 - HB2 LYS 73 OK 19 73 - 26 - HE3 LYS 39 - HB2 LYS 73 OK 18 68 - 26 - HE3 LYS 13 - HB2 LYS 85 OK 17 69 - 25 - 3.8/1021=2, 3.8/2972=1...(4) HE2 LYS 32 - HB2 LYS 75 OK 17 77 - 22 - 3075/3.0=1 HE3 LYS 32 - HB2 LYS 75 OK 17 77 - 22 - 3075/3.0=1 HE2 LYS 13 - HB2 LYS 85 OK 17 68 - 25 - 3.8/1021=2, 3.8/2972=1...(4) HB3 TYR 81 - HB2 LYS 73 OK 10 68 - 15 - ~4683=3, ~4675=2...(6) HE2 LYS 32 - HB2 LYS 85 lone 7 78 - 9 - HE3 LYS 32 - HB2 LYS 85 lone 7 78 - 9 - HB3 TYR 55 - HB2 LYS 73 lone 4 93 - 5 - HE2 LYS 39 - HB2 LYS 85 lone 4 50 - 8 - HE3 LYS 39 - HB2 LYS 85 lone 4 46 - 8 - HB3 TYR 55 - HB2 LYS 75 lone 3 67 - 5 - 2.5/4666=1 HB3 TYR 81 - HB2 LYS 75 lone 3 45 - 6 - ~4685=2, ~4683=1 HB3 TYR 81 - HB2 LYS 85 lone 2 46 - 4 - HB3 TYR 55 - HB2 LYS 85 lone 1 68 - 2 - Peak 2977 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.86 A): 8 out of 36 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 4.7=100 HE3 LYS 75 + HB2 LYS 75 OK 72 73 - 98 - 5.0=94, ~3073=6, ~3072=6...(45) HE2 LYS 75 + HB2 LYS 75 OK 71 73 - 98 - 5.0=94, ~3073=6, ~3072=6...(45) HE3 LYS 75 + HB2 LYS 73 OK 58 99 - 60 - 6146/2.9=3, 2997/2.9=2...(32) HE2 LYS 75 + HB2 LYS 73 OK 58 98 - 60 - 6146/2.9=3, 2997/2.9=2...(32) HE2 LYS 32 + HB2 LYS 73 OK 47 100 - 47 - 3.0/3010=2, 3.0/3020=2...(22) HE3 LYS 32 + HB2 LYS 73 OK 47 100 - 47 - 3.0/3020=2, 3.0/3010=2...(22) HE3 LYS 13 - HB2 LYS 73 OK 37 93 - 39 - 3.8/2972=2, 6146/2.9=2...(10) HE2 LYS 13 - HB2 LYS 73 OK 36 92 - 39 - 3.8/2972=2, 6146/2.9=2...(10) HE3 LYS 13 - HB2 LYS 75 OK 34 67 - 52 - ~3073=3, ~3072=3...(30) HE2 LYS 13 - HB2 LYS 75 OK 34 65 - 52 - ~3073=3, ~3072=3...(30) HE3 LYS 73 - HB2 LYS 75 OK 32 77 - 42 - 3.7/2972=4, 3075/3.0=2...(13) HE2 LYS 73 - HB2 LYS 75 OK 32 77 - 42 - 3.7/2972=4, 3075/3.0=2...(13) HE3 LYS 75 - HB2 LYS 85 OK 26 75 - 34 - ~3447=2, 6146/2.9=2...(7) HE2 LYS 75 - HB2 LYS 85 OK 25 74 - 34 - ~3447=2, 6146/2.9=2...(7) HE3 LYS 73 - HB2 LYS 85 OK 22 78 - 28 - 3.7/2972=3, 3.7/3000=1...(8) HE2 LYS 73 - HB2 LYS 85 OK 22 78 - 28 - 3.7/2972=3, 3.7/3000=1...(8) HE2 LYS 39 - HB2 LYS 75 OK 21 47 - 45 - 3.6/1864=4, 3.6/1874=4...(17) HE3 LYS 39 - HB2 LYS 75 OK 19 43 - 46 - 3.6/1864=4, 3.6/1874=4...(17) HE2 LYS 39 - HB2 LYS 73 OK 19 71 - 26 - HE3 LYS 39 - HB2 LYS 73 OK 17 65 - 26 - HE2 LYS 32 - HB2 LYS 75 OK 17 77 - 22 - 3075/3.0=1 HE3 LYS 32 - HB2 LYS 75 OK 17 77 - 22 - 3075/3.0=1 HE3 LYS 13 - HB2 LYS 85 OK 17 68 - 25 - 3.8/1021=2, 3.8/2972=1...(4) HE2 LYS 13 - HB2 LYS 85 OK 17 66 - 25 - 3.8/1021=2, 3.8/2972=1...(4) HB3 TYR 81 - HB2 LYS 73 poor 10 65 - 15 - ~4683=3, ~4675=2...(6) HE2 LYS 32 - HB2 LYS 85 lone 7 78 - 9 - HE3 LYS 32 - HB2 LYS 85 lone 7 78 - 9 - HB3 TYR 55 - HB2 LYS 73 lone 4 95 - 5 - HE2 LYS 39 - HB2 LYS 85 lone 4 48 - 8 - HE3 LYS 39 - HB2 LYS 85 lone 4 44 - 8 - HB3 TYR 55 - HB2 LYS 75 lone 3 68 - 5 - 2.5/4666=1 HB3 TYR 81 - HB2 LYS 75 lone 2 43 - 6 - ~4685=2, ~4683=1 HB3 TYR 81 - HB2 LYS 85 lone 2 44 - 4 - HB3 TYR 55 - HB2 LYS 85 lone 1 69 - 2 - Peak 2978 from cnoeabs.peaks (8.00, 1.78, 32.45 ppm; 4.13 A): 1 out of 30 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 4.0=100 H GLY 72 - HB3 LYS 73 OK 41 99 - 41 - 4.5/788=9, 5841=6...(12) H ARG 69 - HB3 LYS 75 OK 31 82 - 38 - 940/4.6=6, 5825/4.0=6...(13) H ARG 69 - HB3 LYS 73 OK 31 93 - 33 - 760/1.8=4, 2988/2.9=3...(15) H LYS 73 - HB3 LYS 75 OK 27 93 - 30 - 787/1.8=5, 788=4...(12) H GLY 72 - HB3 LYS 75 OK 23 91 - 26 - 5397/4.0=5, 5841=3...(10) H ALA 30 - HB2 LYS 13 OK 16 85 - 19 - 83/1.8=3, 553/3.0=2...(6) H ARG 69 - HB2 LYS 13 OK 16 85 - 18 - ~4819=3, 759/4.8=2...(5) H LYS 73 - HB2 LYS 85 OK 15 66 - 23 - 789/2.9=4, ~6062=3...(9) H ARG 69 - HB3 LYS 39 OK 14 92 - 15 - 3.6/4748=2, 760=1...(6) H LYS 73 - HB3 LYS 39 OK 13 100 - 13 - 788=2, 790/2.9=1, 3.0/2979=1 H LYS 73 - HB2 LYS 13 OK 12 95 - 13 - 789/3.0=2, 788=2, 3.0/2979=1 H GLY 72 - HB3 LYS 39 OK 11 99 - 11 - 5841=1, 314/1.8=1 H ARG 69 - HB2 LYS 85 OK 10 57 - 18 - 5825/4.0=3, 760=2...(8) H ALA 63 - HB3 LYS 39 poor 10 83 - 12 - 4.7/1852=2, 4690/3.0=2...(4) H ALA 30 - HB3 LYS 73 poor 9 93 - 10 - 80/3.0=2, 2988/2.9=1 H ALA 63 - HB3 LYS 73 poor 9 85 - 11 - 726/2.9=2 H LYS 73 - HB2 LYS 83 lone 9 96 - 10 - ~6062=1, 788=1 H ALA 30 - HB3 LYS 75 lone 7 82 - 8 - 79/4.6=2, 83/3.5=1, 83/3.5=1 H ALA 30 - HB2 LYS 83 lone 7 87 - 8 - 5538/4.3=3, 81/1.8=2 H GLY 72 - HB2 LYS 13 lone 7 93 - 7 - 5492/4.8=1 H GLY 72 - HB2 LYS 85 lone 6 64 - 10 - 5397/4.0=3, 5839/2.9=1 H ARG 69 - HB2 LYS 83 lone 6 87 - 6 - H ALA 30 - HB2 LYS 85 lone 5 57 - 9 - 81/1.8=2, 553/2.9=1 H ALA 30 - HB3 LYS 39 lone 4 92 - 5 - H GLY 72 - HB2 LYS 83 lone 4 95 - 4 - H ALA 63 - HB3 LYS 75 lone 3 74 - 5 - H ALA 63 - HB2 LYS 13 lone 2 76 - 3 - H ALA 63 - HB2 LYS 83 lone 2 78 - 2 - H ALA 63 - HB2 LYS 85 lone 1 50 - 3 - Peak 2979 from cnoeabs.peaks (4.18, 1.78, 32.45 ppm; 3.35 A): 1 out of 54 assignments used, quality = 0.99: * HA LYS 73 + HB3 LYS 73 OK 99 99 - 100 - 3.0=100 HA ILE 89 - HB3 LYS 73 OK 30 90 - 34 - 3599/1.8=5, 4.0/6149=3...(17) HA LYS 73 - HB3 LYS 75 OK 30 90 - 34 - 5431/4.6=3, 2963/2.7=2...(13) HA ARG 84 - HB3 LYS 73 OK 22 100 - 23 - 2962/2.9=2, 2960/1.8=2...(6) HA ARG 84 - HB2 LYS 85 OK 21 66 - 32 - 377/4.0=9, 6062/1.8=5...(11) HA ARG 84 - HB2 LYS 83 OK 20 96 - 21 - 3.0/368=4, 6062/1.8=3...(6) HA LYS 73 - HB2 LYS 85 OK 16 64 - 25 - 6062/1.8=4, 377/4.0=2...(7) HA ARG 82 - HB2 LYS 83 OK 16 93 - 17 - 3.6/361=6, 6051=2...(5) HA LYS 73 - HB2 LYS 13 OK 15 92 - 16 - 2962/3.0=1 HA ARG 82 - HB3 LYS 73 OK 15 98 - 15 - 6051=2, 3.6/3287=1...(5) HA LYS 73 - HB3 LYS 39 OK 14 98 - 14 - HA ALA 53 - HB3 LYS 39 OK 13 77 - 17 - 3.6/676=2, 2295/2.9=2...(8) HA LEU 29 - HB3 LYS 73 OK 11 71 - 15 - 786/4.0=2 HA LYS 73 - HB2 LYS 83 OK 11 94 - 11 - 6062/1.8=2, 841/4.3=1, 359/4.0=1 HA ILE 89 - HB2 LYS 13 OK 10 82 - 12 - 4038/3.9=1, 4.0/6149=1...(4) HA ALA 53 - HB3 LYS 73 poor 10 78 - 13 - 2295/2.9=2, 3.0/4963=2, ~203=1 HA ARG 82 - HB3 LYS 39 lone 10 97 - 10 - 6051=1 HA ARG 84 - HB3 LYS 75 lone 9 92 - 10 - 5431/4.6=1 HA ILE 89 - HB2 LYS 85 poor 8 54 - 15 - 6062/1.8=3, 4038/4.6=2...(4) HA ILE 89 - HB3 LYS 75 lone 7 79 - 9 - 3599/1.8=1 HA ARG 84 - HB3 LYS 39 lone 7 99 - 7 - HA GLN 79 - HB3 LYS 75 lone 7 85 - 8 - 5431/4.6=2, 6051=1...(4) HA ALA 78 - HB3 LYS 73 lone 7 81 - 8 - HA GLN 79 - HB3 LYS 73 lone 7 96 - 7 - 6051=2 HA GLN 79 - HB2 LYS 83 lone 5 90 - 6 - 6051=1 HA LEU 29 - HB2 LYS 13 lone 5 62 - 8 - HA ARG 82 - HB3 LYS 75 lone 5 88 - 6 - 3.6/3287=1 HB THR 15 - HB2 LYS 83 lone 5 80 - 6 - 1133/3.0=1, 1132/4.3=1 HA LEU 29 - HB3 LYS 75 lone 5 60 - 8 - 5431/4.6=1 HA LEU 29 - HB2 LYS 83 lone 4 64 - 7 - 841/4.3=1, 6062/1.8=1 HA ILE 89 - HB2 LYS 83 lone 4 84 - 5 - 3597/4.3=1 HA ALA 78 - HB3 LYS 75 lone 4 69 - 6 - HA ALA 53 - HB3 LYS 75 lone 4 67 - 6 - HA ARG 82 - HB2 LYS 85 lone 4 62 - 7 - 3.6/3287=2, 6062/1.8=1 HA ARG 82 - HB2 LYS 13 lone 4 91 - 4 - HA ARG 84 - HB2 LYS 13 lone 4 95 - 4 - HA ILE 89 - HB3 LYS 39 lone 4 89 - 4 - HA LEU 29 - HB3 LYS 39 lone 4 69 - 5 - HA LEU 29 - HB2 LYS 85 lone 3 40 - 7 - 6062/1.8=1 HA GLN 79 - HB2 LYS 85 lone 2 59 - 4 - HA GLN 79 - HB3 LYS 39 lone 2 94 - 2 - HB THR 15 - HB3 LYS 73 lone 2 87 - 2 - HA ALA 78 - HB2 LYS 83 lone 2 74 - 3 - HA ALA 78 - HB3 LYS 39 lone 2 79 - 2 - HB THR 15 - HB3 LYS 75 lone 2 76 - 2 - HB THR 15 - HB2 LYS 85 lone 2 51 - 3 - HB THR 15 - HB3 LYS 39 lone 2 85 - 2 - HA ALA 78 - HB2 LYS 85 lone 2 46 - 3 - HA ALA 53 - HB2 LYS 83 lone 2 72 - 2 - HA ALA 53 - HB2 LYS 13 lone 1 69 - 2 - HA GLN 79 - HB2 LYS 13 lone 1 87 - 1 - HA ALA 53 - HB2 LYS 85 lone 1 45 - 3 - HA ALA 78 - HB2 LYS 13 lone 1 72 - 1 - HB THR 15 - HB2 LYS 13 lone 1 78 - 1 - Peak 2980 from cnoeabs.peaks (1.82, 1.78, 32.45 ppm; 2.40 A): 2 out of 53 assignments used, quality = 1.00: * HB2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 1.8=100 HB2 LYS 75 + HB3 LYS 75 OK 72 72 - 100 - 1.8=100 HB ILE 89 - HB3 LYS 73 OK 22 100 - 23 - 3605/3.0=2, ~3613=2...(8) HB2 LYS 75 - HB3 LYS 39 OK 18 81 - 22 - 3.0/3069=2, ~3068=1, 3077/3.0=1 HB2 LYS 73 - HB3 LYS 75 OK 15 93 - 17 - 3068/3.0=1 HB2 LYS 75 - HB3 LYS 73 OK 15 83 - 18 - 3.0/3069=1, 2972/2.9=1 HB2 LYS 85 - HB3 LYS 73 OK 13 83 - 15 - 1.8/3299=1 HB2 LYS 75 - HB2 LYS 13 OK 11 74 - 15 - 3.0/3069=1, ~1011=1 HB2 ARG 69 - HB3 LYS 73 OK 11 83 - 13 - 787/4.0=1 HB2 LYS 73 - HB2 LYS 13 poor 10 95 - 10 - HB2 LYS 73 - HB2 LYS 85 poor 9 66 - 14 - HB3 ARG 84 - HB3 LYS 73 poor 9 83 - 11 - HB2 ARG 69 - HB3 LYS 75 poor 9 72 - 13 - 3941/4.6=1, 1.8/2802=1...(4) HB ILE 89 - HB2 LYS 13 lone 9 95 - 9 - HB2 LYS 85 - HB3 LYS 75 poor 8 72 - 11 - 1.8/3299=1 HB2 LYS 73 - HB3 LYS 39 lone 7 100 - 7 - HB2 LYS 85 - HB2 LYS 83 lone 7 76 - 10 - 1.8/3299=1 HB2 LYS 85 - HB2 LYS 13 lone 7 74 - 10 - 1.8/3299=1 HB2 LYS 75 - HB2 LYS 85 poor 6 48 - 13 - 3.0/3069=1 HB3 ARG 84 - HB2 LYS 83 lone 6 76 - 8 - 843/4.3=2, 3385/1.8=1 HB3 ARG 84 - HB2 LYS 85 poor 5 48 - 11 - 3385/1.8=2, 1.8/3378=2 HB2 LYS 73 - HB2 LYS 83 lone 5 96 - 5 - HB ILE 89 - HB3 LYS 75 lone 5 92 - 5 - HB2 ARG 69 - HB2 LYS 13 lone 5 74 - 6 - HB ILE 89 - HB2 LYS 85 lone 5 66 - 7 - 5903/4.6=1 HB2 ARG 23 - HB3 LYS 39 lone 4 72 - 6 - HB3 ARG 23 - HB3 LYS 39 lone 4 69 - 6 - HB2 LYS 75 - HB2 LYS 83 lone 4 76 - 5 - HB2 ARG 69 - HB3 LYS 39 lone 4 81 - 5 - HB2 ARG 69 - HB2 LYS 85 lone 3 48 - 6 - HB2 LYS 85 - HB3 LYS 39 lone 3 81 - 4 - HB ILE 89 - HB3 LYS 39 lone 2 99 - 2 - HB2 ARG 17 - HB3 LYS 73 lone 2 89 - 3 - HB3 ARG 84 - HB3 LYS 39 lone 2 81 - 2 - HB ILE 89 - HB2 LYS 83 lone 2 96 - 2 - HB2 ARG 23 - HB3 LYS 75 lone 2 63 - 3 - HB3 ARG 23 - HB3 LYS 75 lone 2 60 - 3 - HB3 ARG 84 - HB3 LYS 75 lone 2 72 - 2 - HB2 ARG 69 - HB2 LYS 83 lone 2 76 - 2 - HB2 ARG 17 - HB3 LYS 39 lone 1 87 - 1 - HB3 ARG 84 - HB2 LYS 13 lone 1 74 - 1 - HB2 ARG 23 - HB3 LYS 73 lone 1 73 - 1 - HB3 ARG 23 - HB3 LYS 73 lone 1 71 - 1 - HB2 ARG 17 - HB3 LYS 75 lone 1 77 - 1 - HB2 ARG 23 - HB2 LYS 13 lone 1 65 - 1 - HB3 ARG 23 - HB2 LYS 13 lone 1 62 - 1 - HB2 ARG 17 - HB2 LYS 83 lone 1 82 - 1 - HB2 ARG 17 - HB2 LYS 85 lone 1 53 - 1 - HB2 ARG 17 - HB2 LYS 13 lone 0 80 - 0 - HB2 ARG 23 - HB2 LYS 83 lone 0 67 - 0 - HB3 ARG 23 - HB2 LYS 83 lone 0 64 - 0 - HB2 ARG 23 - HB2 LYS 85 lone 0 41 - 0 - HB3 ARG 23 - HB2 LYS 85 lone 0 40 - 0 - Peak 2981 from cnoeabs.peaks (1.78, 1.78, 32.45 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 99 99 - 100 HB2 LYS 83 + HB2 LYS 83 OK 96 96 - 100 HB2 LYS 13 + HB2 LYS 13 OK 87 87 - 100 HB3 LYS 75 + HB3 LYS 75 OK 87 87 - 100 HB2 LYS 85 - HB2 LYS 85 OK 40 40 - 100 Peak 2982 from cnoeabs.peaks (1.48, 1.78, 32.45 ppm; 3.70 A): 2 out of 36 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 69 69 - 100 - 3.0=100 HG2 LYS 73 - HB3 LYS 75 OK 41 93 - 45 - 2990/1.8=3, 2991=3...(16) HG3 LYS 85 - HB2 LYS 85 OK 40 40 - 100 - 2.9=100 HG2 LYS 73 - HB3 LYS 39 OK 28 100 - 28 - 2991=2, ~1867=1, ~1837=1 HG3 LYS 13 - HB3 LYS 75 OK 28 67 - 41 - 1.8/1021=5, 3.0/1011=3...(21) HG3 LYS 85 - HB3 LYS 73 OK 24 71 - 34 - 789/4.0=2, 2990/1.8=2...(13) HG3 LYS 13 - HB3 LYS 73 OK 23 78 - 30 - 1.8/1021=3, 3.0/1011=2...(9) HG2 LYS 73 - HB2 LYS 13 OK 22 95 - 23 - 1014/1.8=2, 2991=1...(6) HB3 LEU 57 - HB3 LYS 73 OK 22 97 - 22 - 2442/4.3=3, 789/4.0=2...(7) HG3 LYS 13 - HB3 LYS 39 OK 21 77 - 27 - 1.8/1021=3, 3.0/1011=2...(9) HG2 LYS 73 - HB2 LYS 85 OK 20 66 - 30 - ~3447=2, 3002/2.9=1...(10) HG3 LYS 85 - HB3 LYS 75 OK 18 60 - 29 - 5849/4.0=2, 2.9/3299=2...(12) HG3 LYS 85 - HB2 LYS 13 OK 16 62 - 26 - 1014/1.8=2, 1030/3.0=2...(9) HG3 LYS 85 - HB2 LYS 83 OK 16 64 - 25 - 2.9/3299=2, 3448/1.8=2...(12) HG2 LYS 73 - HB2 LYS 83 OK 12 96 - 12 - HG3 LYS 13 - HB2 LYS 85 OK 12 45 - 27 - 1.8/1021=3, 3.0/1011=3...(10) HB3 LEU 57 - HB2 LYS 13 OK 12 90 - 13 - 2444=1 HB3 LEU 57 - HB3 LYS 39 OK 11 96 - 12 - 4983/2.9=1, ~5325=1, ~4982=1 QB ALA 63 - HB3 LYS 73 OK 11 99 - 11 - 789/4.0=2 HB3 LEU 52 - HB3 LYS 73 lone 10 100 - 10 - 4.6/4963=1 HB3 LEU 52 - HB2 LYS 13 poor 10 93 - 10 - 2266/4.8=4, 471/3.9=1 QB ALA 63 - HB3 LYS 39 lone 8 98 - 9 - 3.6/1852=2, 3913/4.0=1 HB3 LEU 52 - HB3 LYS 39 lone 8 99 - 8 - 3864/4.4=4, 4.6/4963=1 HG3 LYS 85 - HB3 LYS 39 poor 8 69 - 11 - HG3 LYS 13 - HB2 LYS 83 lone 5 72 - 7 - HB3 LEU 57 - HB3 LYS 75 lone 5 87 - 5 - QB ALA 63 - HB3 LYS 75 lone 4 89 - 5 - QB ALA 63 - HB2 LYS 13 lone 3 92 - 3 - HB3 LEU 52 - HB3 LYS 75 lone 2 91 - 3 - HB3 LEU 57 - HB2 LYS 83 lone 2 92 - 2 - HB3 LEU 57 - HB2 LYS 85 lone 2 61 - 3 - QB ALA 63 - HB2 LYS 83 lone 2 93 - 2 - HB3 LEU 52 - HB2 LYS 85 lone 2 65 - 2 - HB3 LEU 52 - HB2 LYS 83 lone 1 95 - 1 - QB ALA 63 - HB2 LYS 85 lone 1 63 - 2 - Peak 2983 from cnoeabs.peaks (1.39, 1.78, 32.45 ppm; 3.14 A): 8 out of 78 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HB3 LYS 75 OK 92 92 - 100 - 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 92 92 - 100 - 2.7=100 HG3 LYS 39 + HB3 LYS 39 OK 87 87 - 100 - 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 78 78 - 100 - 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 61 61 - 100 - 2.9=100 HG2 LYS 75 + HB3 LYS 39 OK 50 99 - 51 - 1867/2.9=3, 1837/3.0=3...(22) HG3 LYS 75 + HB3 LYS 39 OK 50 99 - 51 - 1867/2.9=3, 1837/3.0=3...(22) HG2 LYS 75 - HB3 LYS 73 OK 38 100 - 39 - 3.9/3069=2, 2993/2.9=2...(11) HG3 LYS 75 - HB3 LYS 73 OK 38 100 - 39 - 3.9/3069=2, 2993/2.9=2...(11) HG3 LYS 39 - HB3 LYS 75 OK 34 77 - 44 - 1874/1.8=4, ~1864=4...(13) HG3 LYS 75 - HB2 LYS 13 OK 32 94 - 34 - 3.9/3069=2, 3467/3.0=2...(10) HG2 LYS 75 - HB2 LYS 13 OK 32 94 - 34 - 3.9/3069=2, 3467/3.0=2...(10) HG3 LYS 73 - HB3 LYS 75 OK 29 93 - 31 - 3071/3.0=2, 1.8/2991=2...(7) HB3 ARG 69 - HB3 LYS 73 OK 27 99 - 28 - 2802/1.8=3, 2800/4.0=2...(10) HG2 LYS 85 - HB3 LYS 73 OK 24 97 - 25 - 2.9/3299=2, 3000/1.8=1...(8) HB3 ARG 69 - HB3 LYS 75 OK 23 90 - 26 - 3942/4.6=3, 2802=3...(11) HG3 ARG 69 - HB3 LYS 73 OK 23 97 - 24 - 2818/1.8=2, 2816/4.0=2...(8) HG3 LYS 73 - HB3 LYS 39 OK 20 100 - 20 - 1867/2.9=1, 1837/3.0=1...(4) HG3 ARG 69 - HB3 LYS 75 OK 19 86 - 22 - 3944/4.6=3, 2818=2...(7) HG2 LYS 85 - HB2 LYS 83 OK 18 92 - 20 - ~3448=2, 3447/1.8=2...(5) HG2 LYS 85 - HB2 LYS 13 OK 18 90 - 20 - ~1014=2, 2.9/3299=1...(4) HG3 LYS 75 - HB2 LYS 85 OK 18 66 - 27 - 3447/1.8=2, 3.9/3069=1...(5) HG2 LYS 75 - HB2 LYS 85 OK 18 66 - 27 - 3447/1.8=2, 3.9/3069=1...(5) HG2 LYS 85 - HB3 LYS 75 OK 17 87 - 19 - 3071/3.0=2, 2.9/3299=1 HG3 LYS 73 - HB2 LYS 13 OK 16 95 - 17 - ~1014=1 HG3 LYS 39 - HB3 LYS 73 OK 16 89 - 18 - 1.8/1865=2, 1875=1 HG3 LYS 73 - HB2 LYS 85 OK 15 66 - 22 - 3447/1.8=2, ~3448=1...(4) HB3 ARG 69 - HB3 LYS 39 OK 14 98 - 15 - 6077/4.4=1, 2802=1 QB ALA 53 - HB3 LYS 39 OK 13 99 - 14 - 3.6/676=2, 2.9/4963=1...(7) HB3 ARG 69 - HB2 LYS 13 OK 13 92 - 14 - 2802=2, ~4819=2...(4) HG3 LYS 39 - HB2 LYS 13 OK 12 80 - 16 - 1.8/1865=1, 1875=1, 4.1/1835=1 HG3 ARG 69 - HB3 LYS 39 OK 11 95 - 11 - QB ALA 53 - HB3 LYS 73 OK 11 100 - 11 - 2297/3.0=1, 2.9/4963=1 HG2 LYS 75 - HB2 LYS 83 OK 11 96 - 11 - HG3 LYS 75 - HB2 LYS 83 OK 11 96 - 11 - HB3 ARG 69 - HB2 LYS 85 poor 10 64 - 16 - 2802=2, 3.0/2818=1 HG3 ARG 69 - HB2 LYS 13 poor 9 89 - 11 - 3.0/2802=1 HG3 LYS 73 - HB2 LYS 83 lone 9 96 - 9 - HG3 ARG 69 - HB2 LYS 85 poor 8 60 - 13 - 2818=1, 3.0/2802=1 HG2 LYS 85 - HB3 LYS 39 lone 8 96 - 8 - HG2 LYS 83 - HB2 LYS 85 poor 7 50 - 15 - 3447/1.8=1, 4.6/3287=1...(4) QB ALA 78 - HB3 LYS 73 lone 7 100 - 7 - HG2 LYS 83 - HB3 LYS 73 lone 7 85 - 8 - QB ALA 77 - HB3 LYS 75 lone 7 85 - 8 - 5066/4.6=1, ~817=1 QB ALA 77 - HB3 LYS 73 lone 7 96 - 7 - 3989/4.3=2 HG2 LYS 83 - HB3 LYS 75 lone 5 74 - 7 - HG3 LYS 39 - HB2 LYS 83 lone 5 82 - 6 - HB3 ARG 69 - HB2 LYS 83 lone 5 94 - 5 - HG3 LYS 39 - HB2 LYS 85 lone 5 53 - 9 - HG3 ARG 69 - HB2 LYS 83 lone 4 91 - 5 - QB ALA 78 - HB3 LYS 75 lone 4 93 - 4 - QB ALA 53 - HB3 LYS 75 lone 4 91 - 4 - QB ALA 77 - HB2 LYS 83 lone 4 90 - 4 - HG2 LYS 83 - HB3 LYS 39 lone 4 83 - 4 - HG2 LYS 83 - HB2 LYS 13 lone 3 76 - 4 - QB ALA 77 - HB2 LYS 85 lone 3 59 - 5 - QB ALA 20 - HB3 LYS 39 lone 3 96 - 3 - QB ALA 78 - HB2 LYS 83 lone 3 96 - 3 - QB ALA 20 - HB3 LYS 75 lone 2 87 - 3 - QB ALA 20 - HB2 LYS 83 lone 2 92 - 3 - QB ALA 78 - HB2 LYS 85 lone 2 66 - 3 - QB ALA 77 - HB3 LYS 39 lone 2 94 - 2 - QB ALA 78 - HB3 LYS 39 lone 2 100 - 2 - QB ALA 20 - HB3 LYS 73 lone 2 97 - 2 - QB ALA 53 - HB2 LYS 13 lone 2 93 - 2 - QB ALA 53 - HB2 LYS 83 lone 2 95 - 2 - QB ALA 53 - HB2 LYS 85 lone 2 65 - 2 - QB ALA 20 - HB2 LYS 85 lone 1 61 - 2 - QB ALA 78 - HB2 LYS 13 lone 1 95 - 1 - QB ALA 77 - HB2 LYS 13 lone 1 87 - 1 - QB ALA 16 - HB2 LYS 83 lone 1 57 - 1 - QB ALA 16 - HB3 LYS 73 lone 1 63 - 1 - QB ALA 20 - HB2 LYS 13 lone 1 90 - 1 - QB ALA 16 - HB2 LYS 85 lone 0 34 - 1 - QB ALA 16 - HB3 LYS 39 lone 0 61 - 1 - QB ALA 16 - HB3 LYS 75 lone 0 53 - 1 - QB ALA 16 - HB2 LYS 13 lone 0 55 - 0 - Peak 2984 from cnoeabs.peaks (1.61, 1.78, 32.45 ppm; 3.68 A): 5 out of 114 assignments used, quality = 1.00: * HD2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 - 100 - 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 - 100 - 3.5=100 HB3 LEU 51 + HB3 LYS 39 OK 47 95 - 49 - ~5204=9, 3.1/5205=9...(16) HD3 LYS 32 - HB3 LYS 73 OK 38 100 - 38 - 3020/1.8=2, 2994/2.9=2...(14) HD2 LYS 32 - HB3 LYS 73 OK 38 100 - 38 - 3020/1.8=2, 2994/2.9=2...(14) HD3 LYS 73 - HB3 LYS 75 OK 37 93 - 41 - 3020/1.8=2, 2.9/2982=2...(12) HD2 LYS 73 - HB3 LYS 75 OK 37 93 - 41 - 3020/1.8=2, 2.9/2982=2...(12) HD2 LYS 73 - HB3 LYS 39 OK 31 100 - 32 - 2923/1.8=1, 2.9/2982=1 HD3 LYS 73 - HB3 LYS 39 OK 31 100 - 32 - 2923/1.8=1, 2.9/2982=1 HD2 LYS 39 - HB3 LYS 75 OK 26 55 - 48 - ~1864=4, 3.0/1865=4...(24) HD3 LYS 39 - HB3 LYS 75 OK 25 53 - 48 - ~1864=4, 3.0/1865=4...(23) HD3 LYS 32 - HB3 LYS 39 OK 23 99 - 23 - HG2 ARG 84 - HB3 LYS 73 OK 21 89 - 24 - 3.0/3378=1, ~3378=1...(4) HG3 ARG 84 - HB3 LYS 73 OK 21 89 - 24 - 3.0/3378=1, ~3378=1...(4) HD2 LYS 32 - HB3 LYS 39 OK 21 100 - 20 - HB2 LEU 86 - HB3 LYS 39 OK 20 99 - 20 - ~5111=2, ~5206=2...(6) HG LEU 86 - HB3 LYS 39 OK 19 94 - 20 - ~5111=2, ~5206=2...(6) HD2 LYS 73 - HB2 LYS 13 OK 17 95 - 18 - ~1014=1, 2.9/2982=1 HD3 LYS 73 - HB2 LYS 13 OK 17 95 - 18 - ~1014=1, 2.9/2982=1 HD3 LYS 73 - HB2 LYS 85 OK 17 66 - 26 - ~3448=2, ~3447=1...(4) HD2 LYS 73 - HB2 LYS 85 OK 17 66 - 26 - ~3448=2, ~3447=1...(4) HD3 LYS 32 - HB3 LYS 75 OK 16 92 - 17 - HD2 LYS 39 - HB3 LYS 73 OK 15 65 - 23 - 3.0/1865=2, 3.0/1875=2 HD2 LYS 32 - HB3 LYS 75 OK 15 93 - 16 - HD3 LYS 39 - HB3 LYS 73 OK 15 63 - 23 - 3.0/1865=2, 3.0/1875=2 HB3 LEU 51 - HB3 LYS 75 OK 14 86 - 16 - 3.1/5205=4, ~5204=3...(5) HG3 ARG 84 - HB2 LYS 83 OK 12 82 - 15 - 5.0/368=3, 5896/4.0=2...(4) HG2 ARG 84 - HB2 LYS 83 OK 12 82 - 15 - 5.0/368=3, 5896/4.0=2...(4) HB3 LEU 51 - HB3 LYS 73 OK 12 97 - 12 - 3.1/5205=3, ~5255=1 HG2 ARG 84 - HB2 LYS 85 OK 11 53 - 21 - 3.0/3378=2, ~3385=2, ~3445=1 HG3 ARG 84 - HB2 LYS 85 OK 11 53 - 21 - 3.0/3378=2, ~3385=2, ~3445=1 HG2 ARG 71 - HB3 LYS 73 OK 11 98 - 11 - 5.0/5841=2, 791/4.0=1 HD3 LYS 73 - HB2 LYS 83 OK 10 96 - 11 - 5896/4.0=1 HD2 LYS 73 - HB2 LYS 83 OK 10 96 - 11 - 5896/4.0=1 HB3 LEU 62 - HB3 LYS 39 poor 9 77 - 12 - HD2 LYS 39 - HB2 LYS 13 poor 9 57 - 16 - 3.0/1875=2, ~1013=1...(4) HG3 ARG 84 - HB3 LYS 39 poor 9 87 - 10 - HG2 ARG 84 - HB3 LYS 39 poor 9 87 - 10 - HB2 LEU 86 - HB3 LYS 73 lone 9 100 - 9 - HG LEU 86 - HB3 LYS 73 lone 9 96 - 9 - HD3 LYS 39 - HB2 LYS 13 poor 9 55 - 16 - 3.0/1875=2, ~1013=1...(4) HG3 ARG 70 - HB3 LYS 73 lone 8 100 - 9 - 4.0/5984=2, 791/4.0=1 HB2 LEU 86 - HB2 LYS 85 poor 8 65 - 12 - 860/4.6=7 HB3 LEU 62 - HB3 LYS 73 lone 7 78 - 9 - HD3 LYS 32 - HB2 LYS 13 lone 7 94 - 7 - HD2 LYS 32 - HB2 LYS 13 lone 7 95 - 7 - HG2 ARG 71 - HB3 LYS 75 lone 7 88 - 8 - 5.0/5841=1 HG2 ARG 17 - HB3 LYS 73 lone 7 99 - 6 - HG3 ARG 17 - HB3 LYS 73 lone 7 98 - 7 - HG3 ARG 70 - HB3 LYS 75 lone 6 92 - 7 - 4.0/5984=2, 4.9/297=1 HG LEU 86 - HB2 LYS 85 poor 6 59 - 10 - 5894/4.6=4 HG2 ARG 71 - HB3 LYS 39 lone 5 97 - 5 - HG3 ARG 70 - HB2 LYS 85 lone 5 66 - 7 - 4.0/5984=1 HG2 ARG 17 - HB3 LYS 39 lone 4 98 - 4 - HG3 ARG 17 - HB3 LYS 39 lone 4 97 - 4 - HD2 LYS 39 - HB2 LYS 83 lone 4 59 - 7 - HD3 LYS 32 - HB2 LYS 85 lone 4 66 - 6 - HD3 LYS 39 - HB2 LYS 83 lone 4 57 - 7 - HG3 ARG 84 - HB3 LYS 75 lone 4 77 - 5 - HG2 ARG 84 - HB3 LYS 75 lone 4 77 - 5 - HD2 LYS 32 - HB2 LYS 85 lone 4 66 - 6 - HB2 LEU 86 - HB2 LYS 13 lone 4 94 - 4 - HB3 LEU 51 - HB2 LYS 13 lone 4 89 - 4 - 3.1/5205=2 HG LEU 86 - HB2 LYS 13 lone 3 87 - 4 - HG LEU 86 - HB3 LYS 75 lone 3 85 - 4 - HB2 LEU 86 - HB3 LYS 75 lone 3 92 - 4 - HD2 LYS 39 - HB2 LYS 85 lone 3 36 - 9 - HD3 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HG3 ARG 70 - HB2 LYS 83 lone 3 96 - 3 - HD2 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HD3 LYS 39 - HB2 LYS 85 lone 3 34 - 9 - HG2 ARG 26 - HB3 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HB2 LYS 83 lone 3 96 - 3 - HG2 ARG 17 - HB2 LYS 85 lone 3 63 - 4 - 860/4.6=1 HG3 ARG 17 - HB2 LYS 85 lone 3 62 - 4 - 860/4.6=1 HG2 ARG 84 - HB2 LYS 13 lone 3 80 - 3 - HG3 ARG 84 - HB2 LYS 13 lone 3 80 - 3 - HG LEU 86 - HB2 LYS 83 lone 3 90 - 3 - HG3 ARG 70 - HB2 LYS 13 lone 3 94 - 3 - HG3 ARG 70 - HB3 LYS 39 lone 3 99 - 3 - HG2 ARG 27 - HB3 LYS 39 lone 3 79 - 3 - HG3 ARG 27 - HB3 LYS 39 lone 3 77 - 3 - HG2 ARG 71 - HB2 LYS 85 lone 2 62 - 4 - HB3 LEU 62 - HB2 LYS 13 lone 2 69 - 3 - HG2 ARG 17 - HB2 LYS 83 lone 2 93 - 2 - HG3 ARG 17 - HB2 LYS 83 lone 2 93 - 2 - HG2 ARG 17 - HB3 LYS 75 lone 2 89 - 2 - HG3 ARG 17 - HB3 LYS 75 lone 2 88 - 2 - HG2 ARG 71 - HB2 LYS 83 lone 2 93 - 2 - HB3 LEU 62 - HB3 LYS 75 lone 2 67 - 3 - HB3 LEU 51 - HB2 LYS 83 lone 2 91 - 2 - HG2 ARG 27 - HB3 LYS 73 lone 2 81 - 2 - HG2 ARG 26 - HB3 LYS 39 lone 2 95 - 2 - HG3 ARG 27 - HB3 LYS 73 lone 2 78 - 2 - HB3 LEU 62 - HB2 LYS 85 lone 2 45 - 4 - 3520/4.6=1 HG2 ARG 71 - HB2 LYS 13 lone 2 91 - 2 - HB3 LEU 51 - HB2 LYS 85 lone 2 60 - 3 - HB3 LEU 62 - HB2 LYS 83 lone 2 72 - 2 - HG2 ARG 27 - HB3 LYS 75 lone 2 69 - 2 - HG3 ARG 27 - HB3 LYS 75 lone 1 67 - 2 - HG2 ARG 26 - HB2 LYS 83 lone 1 91 - 2 - HG2 ARG 17 - HB2 LYS 13 lone 1 92 - 1 - HG3 ARG 17 - HB2 LYS 13 lone 1 91 - 1 - HG2 ARG 26 - HB3 LYS 75 lone 1 86 - 1 - HG2 ARG 26 - HB2 LYS 85 lone 1 60 - 2 - HG2 ARG 26 - HB2 LYS 13 lone 1 89 - 1 - HG2 ARG 27 - HB2 LYS 83 lone 1 74 - 1 - HG3 ARG 27 - HB2 LYS 83 lone 1 72 - 1 - HG2 ARG 27 - HB2 LYS 13 lone 1 72 - 1 - HG3 ARG 27 - HB2 LYS 13 lone 1 69 - 1 - HG2 ARG 27 - HB2 LYS 85 lone 1 46 - 2 - HG3 ARG 27 - HB2 LYS 85 lone 1 45 - 2 - Peak 2985 from cnoeabs.peaks (1.61, 1.78, 32.45 ppm; 3.68 A): 5 out of 114 assignments used, quality = 1.00: HD2 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.5=100 * HD3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 - 100 - 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 - 100 - 3.5=100 HB3 LEU 51 + HB3 LYS 39 OK 47 95 - 49 - ~5204=9, 3.1/5205=9...(16) HD3 LYS 32 - HB3 LYS 73 OK 38 100 - 38 - 3020/1.8=2, 2994/2.9=2...(14) HD2 LYS 32 - HB3 LYS 73 OK 38 100 - 38 - 3020/1.8=2, 2994/2.9=2...(14) HD3 LYS 73 - HB3 LYS 75 OK 37 93 - 41 - 3020/1.8=2, 2.9/2982=2...(12) HD2 LYS 73 - HB3 LYS 75 OK 37 93 - 41 - 3020/1.8=2, 2.9/2982=2...(12) HD2 LYS 73 - HB3 LYS 39 OK 31 100 - 32 - 2923/1.8=1, 2.9/2982=1 HD3 LYS 73 - HB3 LYS 39 OK 31 100 - 32 - 2923/1.8=1, 2.9/2982=1 HD2 LYS 39 - HB3 LYS 75 OK 26 55 - 48 - ~1864=4, 3.0/1865=4...(24) HD3 LYS 39 - HB3 LYS 75 OK 25 53 - 48 - ~1864=4, 3.0/1865=4...(23) HD3 LYS 32 - HB3 LYS 39 OK 23 99 - 23 - HG2 ARG 84 - HB3 LYS 73 OK 21 89 - 24 - 3.0/3378=1, ~3378=1...(4) HG3 ARG 84 - HB3 LYS 73 OK 21 89 - 24 - 3.0/3378=1, ~3378=1...(4) HD2 LYS 32 - HB3 LYS 39 OK 21 100 - 20 - HB2 LEU 86 - HB3 LYS 39 OK 20 99 - 20 - ~5111=2, ~5206=2...(6) HG LEU 86 - HB3 LYS 39 OK 19 94 - 20 - ~5111=2, ~5206=2...(6) HD2 LYS 73 - HB2 LYS 13 OK 17 95 - 18 - ~1014=1, 2.9/2982=1 HD3 LYS 73 - HB2 LYS 13 OK 17 95 - 18 - ~1014=1, 2.9/2982=1 HD3 LYS 73 - HB2 LYS 85 OK 17 66 - 26 - ~3448=2, ~3447=1...(4) HD2 LYS 73 - HB2 LYS 85 OK 17 66 - 26 - ~3448=2, ~3447=1...(4) HD3 LYS 32 - HB3 LYS 75 OK 16 92 - 17 - HD2 LYS 39 - HB3 LYS 73 OK 15 65 - 23 - 3.0/1865=2, 3.0/1875=2 HD2 LYS 32 - HB3 LYS 75 OK 15 93 - 16 - HD3 LYS 39 - HB3 LYS 73 OK 15 63 - 23 - 3.0/1865=2, 3.0/1875=2 HB3 LEU 51 - HB3 LYS 75 OK 14 86 - 16 - 3.1/5205=4, ~5204=3...(5) HG3 ARG 84 - HB2 LYS 83 OK 12 82 - 15 - 5.0/368=3, 5896/4.0=2...(4) HG2 ARG 84 - HB2 LYS 83 OK 12 82 - 15 - 5.0/368=3, 5896/4.0=2...(4) HB3 LEU 51 - HB3 LYS 73 OK 12 97 - 12 - 3.1/5205=3, ~5255=1 HG2 ARG 84 - HB2 LYS 85 OK 11 53 - 21 - 3.0/3378=2, ~3385=2, ~3445=1 HG3 ARG 84 - HB2 LYS 85 OK 11 53 - 21 - 3.0/3378=2, ~3385=2, ~3445=1 HG2 ARG 71 - HB3 LYS 73 OK 11 98 - 11 - 5.0/5841=2, 791/4.0=1 HD3 LYS 73 - HB2 LYS 83 OK 10 96 - 11 - 5896/4.0=1 HD2 LYS 73 - HB2 LYS 83 OK 10 96 - 11 - 5896/4.0=1 HB3 LEU 62 - HB3 LYS 39 poor 9 77 - 12 - HD2 LYS 39 - HB2 LYS 13 poor 9 57 - 16 - 3.0/1875=2, ~1013=1...(4) HG3 ARG 84 - HB3 LYS 39 poor 9 87 - 10 - HG2 ARG 84 - HB3 LYS 39 poor 9 87 - 10 - HB2 LEU 86 - HB3 LYS 73 lone 9 100 - 9 - HG LEU 86 - HB3 LYS 73 lone 9 96 - 9 - HD3 LYS 39 - HB2 LYS 13 poor 9 55 - 16 - 3.0/1875=2, ~1013=1...(4) HG3 ARG 70 - HB3 LYS 73 lone 8 100 - 9 - 4.0/5984=2, 791/4.0=1 HB2 LEU 86 - HB2 LYS 85 poor 8 65 - 12 - 860/4.6=7 HB3 LEU 62 - HB3 LYS 73 lone 7 78 - 9 - HD3 LYS 32 - HB2 LYS 13 lone 7 94 - 7 - HD2 LYS 32 - HB2 LYS 13 lone 7 95 - 7 - HG2 ARG 71 - HB3 LYS 75 lone 7 88 - 8 - 5.0/5841=1 HG2 ARG 17 - HB3 LYS 73 lone 7 99 - 6 - HG3 ARG 17 - HB3 LYS 73 lone 7 98 - 7 - HG3 ARG 70 - HB3 LYS 75 lone 6 92 - 7 - 4.0/5984=2, 4.9/297=1 HG LEU 86 - HB2 LYS 85 poor 6 59 - 10 - 5894/4.6=4 HG2 ARG 71 - HB3 LYS 39 lone 5 97 - 5 - HG3 ARG 70 - HB2 LYS 85 lone 5 66 - 7 - 4.0/5984=1 HG2 ARG 17 - HB3 LYS 39 lone 4 98 - 4 - HG3 ARG 17 - HB3 LYS 39 lone 4 97 - 4 - HD2 LYS 39 - HB2 LYS 83 lone 4 59 - 7 - HD3 LYS 32 - HB2 LYS 85 lone 4 66 - 6 - HD3 LYS 39 - HB2 LYS 83 lone 4 57 - 7 - HG3 ARG 84 - HB3 LYS 75 lone 4 77 - 5 - HG2 ARG 84 - HB3 LYS 75 lone 4 77 - 5 - HD2 LYS 32 - HB2 LYS 85 lone 4 66 - 6 - HB2 LEU 86 - HB2 LYS 13 lone 4 94 - 4 - HB3 LEU 51 - HB2 LYS 13 lone 4 89 - 4 - 3.1/5205=2 HG LEU 86 - HB2 LYS 13 lone 3 87 - 4 - HG LEU 86 - HB3 LYS 75 lone 3 85 - 4 - HB2 LEU 86 - HB3 LYS 75 lone 3 92 - 4 - HD2 LYS 39 - HB2 LYS 85 lone 3 36 - 9 - HD3 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HG3 ARG 70 - HB2 LYS 83 lone 3 96 - 3 - HD2 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HD3 LYS 39 - HB2 LYS 85 lone 3 34 - 9 - HG2 ARG 26 - HB3 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HB2 LYS 83 lone 3 96 - 3 - HG2 ARG 17 - HB2 LYS 85 lone 3 63 - 4 - 860/4.6=1 HG3 ARG 17 - HB2 LYS 85 lone 3 62 - 4 - 860/4.6=1 HG2 ARG 84 - HB2 LYS 13 lone 3 80 - 3 - HG3 ARG 84 - HB2 LYS 13 lone 3 80 - 3 - HG LEU 86 - HB2 LYS 83 lone 3 90 - 3 - HG3 ARG 70 - HB2 LYS 13 lone 3 94 - 3 - HG3 ARG 70 - HB3 LYS 39 lone 3 99 - 3 - HG2 ARG 27 - HB3 LYS 39 lone 3 79 - 3 - HG3 ARG 27 - HB3 LYS 39 lone 3 77 - 3 - HG2 ARG 71 - HB2 LYS 85 lone 2 62 - 4 - HB3 LEU 62 - HB2 LYS 13 lone 2 69 - 3 - HG2 ARG 17 - HB2 LYS 83 lone 2 93 - 2 - HG3 ARG 17 - HB2 LYS 83 lone 2 93 - 2 - HG2 ARG 17 - HB3 LYS 75 lone 2 89 - 2 - HG3 ARG 17 - HB3 LYS 75 lone 2 88 - 2 - HG2 ARG 71 - HB2 LYS 83 lone 2 93 - 2 - HB3 LEU 62 - HB3 LYS 75 lone 2 67 - 3 - HB3 LEU 51 - HB2 LYS 83 lone 2 91 - 2 - HG2 ARG 27 - HB3 LYS 73 lone 2 81 - 2 - HG2 ARG 26 - HB3 LYS 39 lone 2 95 - 2 - HG3 ARG 27 - HB3 LYS 73 lone 2 78 - 2 - HB3 LEU 62 - HB2 LYS 85 lone 2 45 - 4 - 3520/4.6=1 HG2 ARG 71 - HB2 LYS 13 lone 2 91 - 2 - HB3 LEU 51 - HB2 LYS 85 lone 2 60 - 3 - HB3 LEU 62 - HB2 LYS 83 lone 2 72 - 2 - HG2 ARG 27 - HB3 LYS 75 lone 2 69 - 2 - HG3 ARG 27 - HB3 LYS 75 lone 1 67 - 2 - HG2 ARG 26 - HB2 LYS 83 lone 1 91 - 2 - HG2 ARG 17 - HB2 LYS 13 lone 1 92 - 1 - HG3 ARG 17 - HB2 LYS 13 lone 1 91 - 1 - HG2 ARG 26 - HB3 LYS 75 lone 1 86 - 1 - HG2 ARG 26 - HB2 LYS 85 lone 1 60 - 2 - HG2 ARG 26 - HB2 LYS 13 lone 1 89 - 1 - HG2 ARG 27 - HB2 LYS 83 lone 1 74 - 1 - HG3 ARG 27 - HB2 LYS 83 lone 1 72 - 1 - HG2 ARG 27 - HB2 LYS 13 lone 1 72 - 1 - HG3 ARG 27 - HB2 LYS 13 lone 1 69 - 1 - HG2 ARG 27 - HB2 LYS 85 lone 1 46 - 2 - HG3 ARG 27 - HB2 LYS 85 lone 1 45 - 2 - Peak 2986 from cnoeabs.peaks (2.95, 1.78, 32.45 ppm; 4.62 A): 14 out of 72 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 98 100 - 98 - 4.7=96, 3042/2.9=5...(31) * HE2 LYS 73 + HB3 LYS 73 OK 98 100 - 98 - 4.7=96, 3042/2.9=5...(31) HE3 LYS 75 + HB3 LYS 75 OK 83 90 - 93 - 5.0=81, ~3073=5, ~3072=5...(36) HE2 LYS 75 + HB3 LYS 75 OK 83 89 - 93 - 5.0=81, ~3073=5, ~3072=5...(36) HE3 LYS 13 + HB2 LYS 13 OK 76 86 - 88 - 5.2=69, ~1053=5, ~1043=5...(35) HE2 LYS 13 + HB2 LYS 13 OK 74 85 - 88 - 5.2=69, ~1053=5, ~1043=5...(35) HE2 LYS 39 + HB3 LYS 39 OK 71 72 - 99 - 4.7=96, ~1869=6, ~1879=6...(38) HE3 LYS 39 + HB3 LYS 39 OK 66 67 - 99 - 4.7=96, ~1869=6, ~1879=6...(38) HE3 LYS 75 + HB3 LYS 39 OK 60 98 - 62 - ~1837=3, ~1870=3...(43) HE2 LYS 75 + HB3 LYS 39 OK 60 98 - 61 - ~1837=3, ~1867=3...(43) HE3 LYS 75 + HB3 LYS 73 OK 53 99 - 54 - 6146/2.9=3, 2997/2.9=2...(34) HE2 LYS 75 + HB3 LYS 73 OK 53 99 - 54 - 6146/2.9=3, 2997/2.9=2...(34) HE3 LYS 75 + HB2 LYS 13 OK 47 92 - 51 - 1028/3.0=4, ~1028=3...(35) HE2 LYS 75 + HB2 LYS 13 OK 47 92 - 51 - 1028/3.0=4, ~1028=3...(35) HE3 LYS 13 - HB3 LYS 75 OK 42 84 - 51 - 3.8/1021=4, ~3073=3...(30) HE2 LYS 32 - HB3 LYS 73 OK 42 100 - 43 - 3.9/1587=2, 3.9/1597=2...(23) HE3 LYS 32 - HB3 LYS 73 OK 42 100 - 43 - 3.9/1587=2, 3.9/1597=2...(23) HE2 LYS 13 - HB3 LYS 75 OK 41 82 - 51 - 3.8/1021=4, ~3073=3...(31) HE3 LYS 13 - HB3 LYS 39 OK 37 93 - 40 - 3.8/1021=3, ~1871=2...(20) HE2 LYS 13 - HB3 LYS 39 OK 37 92 - 40 - 3.8/1021=3, ~1871=2...(20) HE3 LYS 73 - HB3 LYS 75 OK 36 92 - 40 - 3.7/2982=2, 3075/3.0=2...(15) HE2 LYS 73 - HB3 LYS 75 OK 36 93 - 40 - 3.7/2982=2, 3075/3.0=2...(15) HE3 LYS 73 - HB3 LYS 39 OK 36 99 - 36 - 3.7/2982=2, ~1870=1...(9) HE2 LYS 73 - HB3 LYS 39 OK 36 100 - 36 - 3.7/2982=2, ~1870=1...(10) HE3 LYS 13 - HB3 LYS 73 OK 35 95 - 37 - 3.8/1021=3, 5.2/1011=2...(13) HE2 LYS 13 - HB3 LYS 73 OK 34 93 - 37 - 3.8/1021=3, 5.2/1011=2...(13) HE2 LYS 32 - HB3 LYS 39 OK 30 100 - 30 - ~1870=1, ~1880=1...(6) HE3 LYS 32 - HB3 LYS 39 OK 30 99 - 30 - ~1870=1, 3.9/1596=1...(6) HE2 LYS 39 - HB3 LYS 75 OK 29 63 - 48 - 3.6/1865=5, 3.6/1875=4...(23) HE3 LYS 39 - HB3 LYS 75 OK 27 58 - 48 - 3.6/1865=5, 3.6/1875=4...(23) HB3 TYR 55 - HB3 LYS 39 OK 21 92 - 23 - ~4666=6, ~4634=5...(8) HE3 LYS 75 - HB2 LYS 85 OK 21 64 - 32 - ~3447=2, 6146/2.9=2...(7) HE2 LYS 32 - HB3 LYS 75 OK 20 93 - 22 - 3075/3.0=1 HE3 LYS 32 - HB3 LYS 75 OK 20 92 - 22 - 3075/3.0=1 HE2 LYS 75 - HB2 LYS 85 OK 20 63 - 32 - ~3447=2, 6146/2.9=2...(7) HE2 LYS 39 - HB3 LYS 73 OK 20 73 - 27 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 73 - HB2 LYS 13 OK 19 95 - 20 - 1028/3.0=1, 3.7/2982=1...(4) HE2 LYS 73 - HB2 LYS 13 OK 19 95 - 20 - 1028/3.0=1, 3.7/2982=1...(4) HE3 LYS 39 - HB3 LYS 73 OK 18 68 - 26 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 13 - HB2 LYS 85 OK 15 58 - 26 - 3.8/1021=3, 5.2/1011=2...(5) HE2 LYS 13 - HB2 LYS 85 OK 15 57 - 26 - 3.8/1021=3, 5.2/1011=2...(5) HE3 LYS 73 - HB2 LYS 85 OK 14 66 - 21 - 6146/2.9=1, 3.7/2982=1 HE2 LYS 73 - HB2 LYS 85 OK 14 66 - 21 - 6146/2.9=1, 3.7/2982=1 HE2 LYS 39 - HB2 LYS 13 OK 13 65 - 20 - 3.6/1875=2, 3.6/1865=2...(6) HE3 LYS 39 - HB2 LYS 13 OK 12 60 - 21 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 32 - HB2 LYS 13 OK 11 95 - 11 - HE3 LYS 32 - HB2 LYS 13 OK 11 95 - 11 - HB3 TYR 81 - HB3 LYS 73 OK 11 68 - 16 - 2.5/4683=3, ~4675=2...(7) HE3 LYS 75 - HB2 LYS 83 OK 10 94 - 11 - HE2 LYS 75 - HB2 LYS 83 OK 10 93 - 11 - HB3 TYR 55 - HB2 LYS 13 lone 8 85 - 9 - 5227/4.8=6 HE3 LYS 73 - HB2 LYS 83 lone 7 96 - 7 - HE2 LYS 73 - HB2 LYS 83 lone 7 96 - 7 - HB3 TYR 81 - HB3 LYS 39 lone 7 67 - 10 - ~4684=3, 2.5/4683=2, 4.1/5476=1 HB3 TYR 55 - HB3 LYS 73 lone 6 93 - 7 - 3.8/212=1 HE3 LYS 13 - HB2 LYS 83 lone 6 88 - 6 - HE2 LYS 13 - HB2 LYS 83 lone 6 87 - 6 - HB3 TYR 55 - HB3 LYS 75 lone 6 82 - 7 - ~4666=2 HE2 LYS 32 - HB2 LYS 85 lone 5 66 - 7 - HE3 LYS 32 - HB2 LYS 85 lone 5 66 - 7 - HE2 LYS 39 - HB2 LYS 83 lone 4 67 - 7 - HE3 LYS 39 - HB2 LYS 83 lone 4 62 - 7 - HE2 LYS 39 - HB2 LYS 85 lone 4 41 - 9 - HE3 LYS 39 - HB2 LYS 85 lone 4 38 - 9 - HB3 TYR 81 - HB3 LYS 75 lone 3 58 - 6 - ~4685=1, 2.5/4683=1 HB3 TYR 81 - HB2 LYS 83 lone 3 62 - 5 - 4.1/5476=2 HE2 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HE3 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HB3 TYR 55 - HB2 LYS 83 lone 2 87 - 2 - HB3 TYR 81 - HB2 LYS 13 lone 2 60 - 3 - HB3 TYR 81 - HB2 LYS 85 lone 1 38 - 3 - HB3 TYR 55 - HB2 LYS 85 lone 1 57 - 2 - Peak 2987 from cnoeabs.peaks (2.95, 1.78, 32.45 ppm; 4.62 A): 14 out of 72 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 98 100 - 98 - 4.7=96, 3042/2.9=5...(31) HE2 LYS 73 + HB3 LYS 73 OK 98 100 - 98 - 4.7=96, 3042/2.9=5...(31) HE3 LYS 75 + HB3 LYS 75 OK 83 89 - 93 - 5.0=81, ~3073=5, ~3072=5...(36) HE2 LYS 75 + HB3 LYS 75 OK 82 88 - 93 - 5.0=81, ~3073=5, ~3072=5...(36) HE3 LYS 13 + HB2 LYS 13 OK 74 85 - 88 - 5.2=69, ~1053=5, ~1043=5...(35) HE2 LYS 13 + HB2 LYS 13 OK 73 83 - 88 - 5.2=69, ~1053=5, ~1043=5...(35) HE2 LYS 39 + HB3 LYS 39 OK 68 69 - 99 - 4.7=96, ~1869=6, ~1879=6...(38) HE3 LYS 39 + HB3 LYS 39 OK 63 64 - 99 - 4.7=96, ~1869=6, ~1879=6...(38) HE3 LYS 75 + HB3 LYS 39 OK 60 98 - 61 - ~1837=3, ~1870=3...(43) HE2 LYS 75 + HB3 LYS 39 OK 59 97 - 61 - ~1837=3, ~1867=3...(43) HE3 LYS 75 + HB3 LYS 73 OK 53 99 - 54 - 6146/2.9=3, 2997/2.9=2...(34) HE2 LYS 75 + HB3 LYS 73 OK 53 98 - 54 - 6146/2.9=3, 2997/2.9=2...(34) HE3 LYS 75 + HB2 LYS 13 OK 47 92 - 51 - 1028/3.0=4, ~1028=3...(35) HE2 LYS 75 + HB2 LYS 13 OK 46 91 - 51 - 1028/3.0=4, ~1028=3...(35) HE2 LYS 32 - HB3 LYS 73 OK 42 100 - 43 - 3.9/1587=2, 3.9/1597=2...(23) HE3 LYS 32 - HB3 LYS 73 OK 42 100 - 43 - 3.9/1586=2, 3.9/1596=2...(23) HE3 LYS 13 - HB3 LYS 75 OK 41 82 - 50 - 3.8/1021=4, ~3073=3...(30) HE2 LYS 13 - HB3 LYS 75 OK 41 81 - 50 - 3.8/1021=4, ~3073=3...(31) HE3 LYS 13 - HB3 LYS 39 OK 37 92 - 40 - 3.8/1021=3, ~1871=2...(20) HE3 LYS 73 - HB3 LYS 75 OK 36 93 - 40 - 3.7/2982=2, 3075/3.0=2...(15) HE2 LYS 73 - HB3 LYS 75 OK 36 92 - 40 - 3.7/2982=2, 3075/3.0=2...(15) HE3 LYS 73 - HB3 LYS 39 OK 36 100 - 36 - 3.7/2982=2, ~1870=1...(9) HE2 LYS 13 - HB3 LYS 39 OK 36 90 - 40 - 3.8/1021=3, ~1871=2...(20) HE2 LYS 73 - HB3 LYS 39 OK 36 99 - 36 - 3.7/2982=2, ~1870=1...(9) HE3 LYS 13 - HB3 LYS 73 OK 34 93 - 37 - 3.8/1021=3, 5.2/1011=2...(13) HE2 LYS 13 - HB3 LYS 73 OK 34 92 - 37 - 3.8/1021=3, 5.2/1011=2...(13) HE2 LYS 32 - HB3 LYS 39 OK 30 99 - 30 - ~1870=1, ~1880=1...(6) HE3 LYS 32 - HB3 LYS 39 OK 29 99 - 29 - ~1870=1, 3.9/1597=1...(6) HE2 LYS 39 - HB3 LYS 75 OK 28 60 - 47 - 3.6/1865=5, 3.6/1875=4...(23) HE3 LYS 39 - HB3 LYS 75 OK 26 55 - 48 - 3.6/1865=5, 3.6/1875=4...(23) HB3 TYR 55 - HB3 LYS 39 OK 21 93 - 23 - ~4666=6, ~4634=5...(8) HE2 LYS 32 - HB3 LYS 75 OK 20 92 - 22 - 3075/3.0=1 HE3 LYS 32 - HB3 LYS 75 OK 20 92 - 22 - 3075/3.0=1 HE3 LYS 75 - HB2 LYS 85 OK 20 63 - 32 - ~3447=2, 6146/2.9=2...(7) HE2 LYS 75 - HB2 LYS 85 OK 20 62 - 32 - ~3447=2, 6146/2.9=2...(7) HE2 LYS 39 - HB3 LYS 73 OK 19 71 - 27 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 73 - HB2 LYS 13 OK 19 95 - 20 - 1028/3.0=1, 3.7/2982=1...(4) HE2 LYS 73 - HB2 LYS 13 OK 19 95 - 20 - 1028/3.0=1, 3.7/2982=1...(4) HE3 LYS 39 - HB3 LYS 73 OK 17 65 - 26 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 13 - HB2 LYS 85 OK 14 57 - 26 - 3.8/1021=3, 5.2/1011=2...(5) HE2 LYS 13 - HB2 LYS 85 OK 14 55 - 26 - 3.8/1021=3, 5.2/1011=2...(5) HE3 LYS 73 - HB2 LYS 85 OK 14 66 - 21 - 6146/2.9=1, 3.7/2982=1 HE2 LYS 73 - HB2 LYS 85 OK 14 66 - 21 - 6146/2.9=1, 3.7/2982=1 HE2 LYS 39 - HB2 LYS 13 OK 13 62 - 20 - 3.6/1875=2, 3.6/1865=2...(6) HE3 LYS 39 - HB2 LYS 13 OK 12 57 - 20 - 3.6/1875=2, 3.6/1865=2...(6) HE2 LYS 32 - HB2 LYS 13 OK 11 95 - 11 - HE3 LYS 32 - HB2 LYS 13 OK 11 94 - 11 - HE3 LYS 75 - HB2 LYS 83 OK 10 93 - 11 - HE2 LYS 75 - HB2 LYS 83 OK 10 93 - 11 - HB3 TYR 81 - HB3 LYS 73 OK 10 65 - 15 - 2.5/4683=3, ~4675=2...(7) HB3 TYR 55 - HB2 LYS 13 lone 8 86 - 10 - 5227/4.8=6 HE3 LYS 73 - HB2 LYS 83 lone 7 96 - 7 - HE2 LYS 73 - HB2 LYS 83 lone 7 96 - 7 - HB3 TYR 55 - HB3 LYS 73 lone 6 95 - 7 - 3.8/212=1 HB3 TYR 81 - HB3 LYS 39 lone 6 64 - 10 - ~4684=3, 2.5/4683=2, 4.1/5476=1 HB3 TYR 55 - HB3 LYS 75 lone 6 84 - 7 - ~4666=2 HE3 LYS 13 - HB2 LYS 83 lone 6 87 - 6 - HE2 LYS 13 - HB2 LYS 83 lone 5 85 - 6 - HE2 LYS 32 - HB2 LYS 85 lone 5 66 - 7 - HE3 LYS 32 - HB2 LYS 85 lone 5 66 - 7 - HE2 LYS 39 - HB2 LYS 83 lone 4 64 - 7 - HE3 LYS 39 - HB2 LYS 83 lone 4 59 - 7 - HE2 LYS 39 - HB2 LYS 85 lone 4 40 - 9 - HE3 LYS 39 - HB2 LYS 85 lone 3 36 - 9 - HB3 TYR 81 - HB3 LYS 75 lone 3 55 - 6 - ~4685=1, 2.5/4683=1 HE2 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HE3 LYS 32 - HB2 LYS 83 lone 3 96 - 3 - HB3 TYR 81 - HB2 LYS 83 lone 3 59 - 5 - 4.1/5476=2 HB3 TYR 55 - HB2 LYS 83 lone 2 88 - 2 - HB3 TYR 81 - HB2 LYS 13 lone 2 57 - 3 - HB3 TYR 81 - HB2 LYS 85 lone 1 36 - 3 - HB3 TYR 55 - HB2 LYS 85 lone 1 58 - 2 - Peak 2988 from cnoeabs.peaks (8.00, 1.48, 24.53 ppm; 4.44 A): 2 out of 15 assignments used, quality = 0.95: * H LYS 73 + HG2 LYS 73 OK 91 100 - 91 - 4.9=73, 787/2.9=18...(20) H GLY 72 + HG2 LYS 73 OK 43 99 - 43 - 4.5/789=14, 5841/2.9=5...(11) H ARG 69 - HG2 LYS 73 OK 28 93 - 30 - 2968/2.9=4, 763/1.8=4...(15) H LYS 73 - HG3 LYS 85 OK 22 71 - 32 - 789=6, 787/2.9=4...(12) H ALA 30 - HG3 LYS 13 OK 16 67 - 23 - 83/3.0=3, 83/2.9=3...(10) H ALA 63 - HG2 LYS 73 OK 15 85 - 17 - 726=2, 3.0/2608=2...(5) H LYS 73 - HG3 LYS 13 OK 13 77 - 17 - 789=3, 3.0/2962=2...(5) H ALA 30 - HG2 LYS 73 OK 11 93 - 12 - 80/3.8=2, 4.6/5534=1...(4) H ARG 69 - HG3 LYS 85 poor 9 61 - 15 - 5825/4.8=3, 760/2.9=3...(5) H GLY 72 - HG3 LYS 85 poor 9 69 - 13 - 4.5/789=3, 5397/4.8=3...(5) H ARG 69 - HG3 LYS 13 poor 9 67 - 13 - ~4819=3, 760/3.0=2...(4) H ALA 30 - HG3 LYS 85 poor 6 61 - 10 - 81/2.9=2 H GLY 72 - HG3 LYS 13 lone 4 75 - 6 - 4.5/789=2 H ALA 63 - HG3 LYS 13 lone 2 59 - 4 - H ALA 63 - HG3 LYS 85 lone 2 53 - 3 - Peak 2989 from cnoeabs.peaks (4.18, 1.48, 24.53 ppm; 4.17 A): 1 out of 27 assignments used, quality = 0.99: * HA LYS 73 + HG2 LYS 73 OK 99 99 - 100 - 3.8=100 HA ILE 89 - HG2 LYS 73 OK 31 90 - 35 - 3599/2.9=6, 4.2/5256=4...(12) HA ARG 84 - HG2 LYS 73 OK 30 100 - 30 - 2962=4, 2969/2.9=3...(9) HA ARG 84 - HG3 LYS 85 OK 27 71 - 38 - 377/4.8=12, 6062/2.9=5...(12) HA LYS 73 - HG3 LYS 85 OK 26 68 - 39 - 6062/2.9=5, 3.0/789=4...(13) HA LYS 73 - HG3 LYS 13 OK 20 74 - 27 - 2962=3, 3.0/789=2...(9) HA ALA 53 - HG2 LYS 73 OK 16 78 - 20 - 3.0/203=4, 2295/1.8=3...(6) HA ILE 89 - HG3 LYS 85 OK 14 58 - 25 - 4038/4.7=4, 6062/2.9=3...(10) HA ARG 82 - HG2 LYS 73 OK 14 98 - 14 - 5446/1.8=2, 6051/2.9=2...(5) HA ILE 89 - HG3 LYS 13 OK 14 64 - 22 - 3602/1.8=3, 4.2/5256=2...(10) HA LEU 29 - HG2 LYS 73 OK 12 71 - 17 - 786/4.9=2, 2962=2...(5) HA ALA 78 - HG2 LYS 73 poor 8 81 - 10 - HA GLN 79 - HG2 LYS 73 lone 7 96 - 7 - 5446/1.8=2, 6051/2.9=1 HA LEU 29 - HG3 LYS 13 poor 6 47 - 13 - 3.0/5534=2, 3.6/2988=1 HA ARG 84 - HG3 LYS 13 lone 5 77 - 7 - 3.6/853=1 HA LEU 29 - HG3 LYS 85 poor 5 43 - 11 - 6062/2.9=2, 3.0/5534=1 HA ARG 82 - HG3 LYS 85 lone 5 66 - 7 - 6062/2.9=2, 5446/1.8=1 HA ARG 82 - HG3 LYS 13 lone 4 73 - 5 - HA GLN 79 - HG3 LYS 85 lone 3 63 - 5 - 5446/1.8=1 HB THR 15 - HG2 LYS 73 lone 3 87 - 3 - HB THR 15 - HG3 LYS 85 lone 3 55 - 5 - HA ALA 78 - HG3 LYS 85 lone 2 50 - 5 - HA ALA 53 - HG3 LYS 85 lone 2 48 - 5 - HA ALA 53 - HG3 LYS 13 lone 2 53 - 3 - HA GLN 79 - HG3 LYS 13 lone 1 69 - 2 - HA ALA 78 - HG3 LYS 13 lone 1 55 - 2 - HB THR 15 - HG3 LYS 13 lone 1 60 - 1 - Peak 2990 from cnoeabs.peaks (1.82, 1.48, 24.53 ppm; 3.38 A): 2 out of 27 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 85 + HG3 LYS 85 OK 52 52 - 100 - 2.9=100 HB ILE 89 - HG2 LYS 73 OK 34 100 - 34 - 3605/3.8=4, 3.2/5256=3...(14) HB2 LYS 75 - HG2 LYS 73 OK 31 83 - 38 - 2972=4, 2.7/2993=2...(14) HB2 LYS 85 - HG2 LYS 73 OK 25 83 - 31 - 2972=3, 1.8/3448=2...(9) HB2 LYS 73 - HG3 LYS 85 OK 21 71 - 30 - 2972=3, 4.0/789=2...(7) HB ILE 89 - HG3 LYS 13 OK 19 77 - 25 - 3609/1.8=3, ~5274=2...(10) HB2 ARG 69 - HG2 LYS 73 OK 19 83 - 23 - 2797/1.8=2, 787/4.9=2...(8) HB2 LYS 73 - HG3 LYS 13 OK 19 77 - 24 - 2972=3, 3.0/2962=1...(5) HB2 LYS 75 - HG3 LYS 13 OK 18 57 - 32 - 2972=2, 4.0/5849=2...(13) HB3 ARG 84 - HG2 LYS 73 OK 16 83 - 20 - 3.0/2962=2, 3384/3.8=1 HB ILE 89 - HG3 LYS 85 OK 12 71 - 18 - 5903/4.7=3 HB2 LYS 75 - HG3 LYS 85 OK 12 52 - 24 - 4.0/5849=2, 2972=2...(5) HB2 LYS 85 - HG3 LYS 13 OK 11 57 - 20 - 1.8/3448=2, 2972=1...(5) HB3 ARG 84 - HG3 LYS 85 OK 10 52 - 20 - 3385/2.9=2, 4.6/5849=2...(5) HB2 ARG 69 - HG3 LYS 13 poor 7 57 - 12 - ~4819=1 HB2 ARG 69 - HG3 LYS 85 poor 6 52 - 12 - 2797/1.8=1, ~2802=1 HB2 ARG 17 - HG2 LYS 73 lone 5 89 - 5 - HB3 ARG 84 - HG3 LYS 13 lone 2 57 - 3 - HB2 ARG 23 - HG2 LYS 73 lone 2 73 - 2 - HB3 ARG 23 - HG2 LYS 73 lone 2 71 - 2 - HB2 ARG 23 - HG3 LYS 13 lone 1 49 - 3 - HB3 ARG 23 - HG3 LYS 13 lone 1 47 - 3 - HB2 ARG 17 - HG3 LYS 85 lone 1 56 - 2 - HB2 ARG 17 - HG3 LYS 13 lone 1 62 - 1 - HB2 ARG 23 - HG3 LYS 85 lone 0 44 - 1 - HB3 ARG 23 - HG3 LYS 85 lone 0 43 - 1 - Peak 2991 from cnoeabs.peaks (1.78, 1.48, 24.53 ppm; 3.34 A): 2 out of 54 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 69 69 - 100 - 3.0=100 HB2 LYS 85 - HG3 LYS 85 OK 43 43 - 100 - 2.9=100 HB3 LYS 75 - HG2 LYS 73 OK 37 97 - 38 - 1.8/2972=3, 2982=2...(11) HB3 LYS 32 - HG2 LYS 73 OK 31 100 - 31 - 3.5/2995=2, 3.5/2995=2...(8) HB2 LYS 32 - HG2 LYS 73 OK 31 100 - 31 - 3.5/2995=2, 3.5/2995=2...(8) HB3 LYS 75 - HG3 LYS 13 OK 24 72 - 34 - 1011/3.0=3, 1003/1.8=2...(15) HB3 LYS 39 - HG2 LYS 73 OK 24 100 - 24 - 2982=2, ~1867=1, ~1837=1 HB3 LYS 73 - HG3 LYS 85 OK 20 71 - 29 - 1.8/2972=2, 4.0/789=2...(9) HB3 LYS 73 - HG3 LYS 13 OK 19 77 - 24 - 1.8/2972=2, 1011/3.0=2...(6) HB2 LYS 13 - HG2 LYS 73 OK 18 96 - 19 - 1.8/1014=2, 3.0/1024=1, 2982=1 HB2 LYS 85 - HG2 LYS 73 OK 18 71 - 26 - 1.8/3448=2, ~3447=1...(6) HB2 LEU 57 - HG2 LYS 73 OK 16 97 - 17 - 2438=3, 3.8/691=2...(6) HB3 LYS 39 - HG3 LYS 13 OK 16 75 - 21 - 1011/3.0=2, 1003/1.8=1...(5) HB3 LYS 75 - HG3 LYS 85 OK 16 66 - 24 - 4.0/5849=2, 3299/2.9=2...(6) HB2 ARG 69 - HG2 LYS 73 OK 14 71 - 21 - 2797/1.8=2, 1.8/2993=2...(7) HB2 LYS 83 - HG3 LYS 85 OK 14 70 - 21 - 1.8/3448=2, 3299/2.9=1...(4) HB2 LYS 13 - HG3 LYS 85 OK 13 63 - 21 - 1.8/1014=2, 3.0/1024=2...(7) HB ILE 33 - HG3 LYS 13 OK 13 73 - 18 - 1655/1.8=2, 1655=1, 1011/3.0=1 HB3 ARG 84 - HG2 LYS 73 OK 12 71 - 18 - 3.0/2962=2, 3384/3.8=1 HB2 LEU 57 - HG3 LYS 13 OK 10 70 - 15 - 2438=2, 3.1/2459=1...(4) HB2 LYS 83 - HG2 LYS 73 OK 10 100 - 10 - HB2 LYS 85 - HG3 LYS 13 OK 10 47 - 21 - 1011/3.0=2, 1.8/3448=2...(7) HB3 ARG 82 - HG2 LYS 73 lone 8 96 - 8 - HB3 ARG 84 - HG3 LYS 85 poor 8 43 - 19 - 4.6/5849=2, 3385/2.9=2...(5) HG3 ARG 71 - HG2 LYS 73 lone 7 68 - 10 - 5.0/2988=2 HB3 LYS 39 - HG3 LYS 85 lone 6 69 - 9 - HB2 ARG 69 - HG3 LYS 13 poor 6 47 - 13 - 1011/3.0=1, ~4819=1 HB2 LYS 32 - HG3 LYS 13 lone 6 76 - 7 - HB3 LYS 32 - HG3 LYS 13 lone 6 76 - 7 - HB2 ARG 54 - HG2 LYS 73 lone 6 96 - 6 - ~4967=1 HB2 ARG 69 - HG3 LYS 85 poor 5 43 - 12 - 2797/1.8=1, ~2802=1 HB2 LYS 83 - HG3 LYS 13 lone 4 76 - 5 - HG2 PRO 34 - HG2 LYS 73 lone 4 87 - 4 - HB ILE 33 - HG2 LYS 73 lone 3 98 - 3 - HB2 PRO 34 - HG2 LYS 73 lone 3 100 - 3 - HB2 LYS 32 - HG3 LYS 85 lone 3 70 - 4 - HB3 LYS 32 - HG3 LYS 85 lone 3 70 - 4 - HB2 LEU 57 - HG3 LYS 85 lone 3 64 - 4 - HB3 ARG 82 - HG3 LYS 85 lone 2 63 - 4 - HB ILE 33 - HG3 LYS 85 lone 2 66 - 3 - HB3 ARG 82 - HG3 LYS 13 lone 2 69 - 3 - HB2 PRO 34 - HG3 LYS 13 lone 2 77 - 3 - HB3 ARG 84 - HG3 LYS 13 lone 2 47 - 3 - HG3 ARG 26 - HG2 LYS 73 lone 1 60 - 2 - HG2 PRO 34 - HG3 LYS 13 lone 1 60 - 2 - HB2 ARG 54 - HG3 LYS 13 lone 1 69 - 2 - HG3 ARG 71 - HG3 LYS 85 lone 1 41 - 3 - HB2 PRO 34 - HG3 LYS 85 lone 1 70 - 2 - HB2 ARG 54 - HG3 LYS 85 lone 1 63 - 1 - HG2 PRO 34 - HG3 LYS 85 lone 1 55 - 1 - HG3 ARG 71 - HG3 LYS 13 lone 1 45 - 1 - HG3 ARG 26 - HG3 LYS 85 lone 0 35 - 1 - HG3 ARG 26 - HG3 LYS 13 lone 0 39 - 1 - Peak 2992 from cnoeabs.peaks (1.48, 1.48, 24.53 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 53 53 - 100 HG3 LYS 85 - HG3 LYS 85 OK 43 43 - 100 Peak 2993 from cnoeabs.peaks (1.39, 1.48, 24.53 ppm; 2.40 A): 2 out of 39 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 1.8=100 HG2 LYS 85 + HG3 LYS 85 OK 66 66 - 100 - 1.8=100 HG3 LYS 75 - HG2 LYS 73 OK 20 100 - 21 - 2.7/2972=1 HG2 LYS 75 - HG2 LYS 73 OK 20 100 - 21 - 2.7/2972=1 HG2 LYS 75 - HG3 LYS 13 OK 15 77 - 19 - HG3 LYS 75 - HG3 LYS 13 OK 15 77 - 19 - HB3 ARG 69 - HG2 LYS 73 OK 12 99 - 12 - 2802/2.9=1 HG2 LYS 85 - HG2 LYS 73 OK 11 97 - 11 - HG3 ARG 69 - HG2 LYS 73 poor 10 97 - 10 - HG3 LYS 39 - HG2 LYS 73 poor 9 89 - 10 - HG3 LYS 73 - HG3 LYS 85 poor 9 71 - 12 - HG2 LYS 75 - HG3 LYS 85 poor 8 70 - 11 - HG3 LYS 75 - HG3 LYS 85 poor 8 70 - 11 - HG3 LYS 73 - HG3 LYS 13 lone 7 77 - 10 - QB ALA 53 - HG2 LYS 73 lone 6 100 - 6 - 2.9/203=1 HG2 LYS 85 - HG3 LYS 13 lone 6 72 - 8 - HG3 LYS 39 - HG3 LYS 13 lone 5 62 - 8 - HB3 ARG 69 - HG3 LYS 85 lone 4 68 - 6 - HB3 ARG 69 - HG3 LYS 13 lone 4 74 - 5 - HG3 ARG 69 - HG3 LYS 85 lone 4 64 - 6 - QB ALA 78 - HG2 LYS 73 lone 3 100 - 3 - HG2 LYS 83 - HG3 LYS 85 lone 3 53 - 5 - HG3 ARG 69 - HG3 LYS 13 lone 3 70 - 4 - HG2 LYS 83 - HG2 LYS 73 lone 2 85 - 3 - HG3 LYS 39 - HG3 LYS 85 lone 2 56 - 3 - QB ALA 77 - HG2 LYS 73 lone 2 96 - 2 - QB ALA 77 - HG3 LYS 85 lone 1 63 - 2 - QB ALA 78 - HG3 LYS 85 lone 1 71 - 1 - HG2 LYS 83 - HG3 LYS 13 lone 1 59 - 1 - QB ALA 53 - HG3 LYS 85 lone 1 69 - 1 - QB ALA 20 - HG2 LYS 73 lone 1 97 - 1 - QB ALA 53 - HG3 LYS 13 lone 1 75 - 1 - QB ALA 20 - HG3 LYS 85 lone 0 66 - 1 - QB ALA 78 - HG3 LYS 13 lone 0 77 - 0 - QB ALA 77 - HG3 LYS 13 lone 0 69 - 0 - QB ALA 16 - HG2 LYS 73 lone 0 63 - 0 - QB ALA 16 - HG3 LYS 85 lone 0 37 - 1 - QB ALA 20 - HG3 LYS 13 lone 0 72 - 0 - QB ALA 16 - HG3 LYS 13 lone 0 41 - 0 - Peak 2994 from cnoeabs.peaks (1.61, 1.48, 24.53 ppm; 3.05 A): 2 out of 57 assignments used, quality = 1.00: HD3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 * HD2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 - HG2 LYS 73 OK 32 100 - 33 - 3012=3, 1.8/3012=2...(4) HD2 LYS 32 - HG2 LYS 73 OK 32 100 - 32 - 3012=3, 1.8/3012=2...(4) HD2 LYS 73 - HG3 LYS 85 OK 16 71 - 22 - 3022=2, 3.5/2972=1, 1.8/3022=1 HD3 LYS 73 - HG3 LYS 85 OK 16 71 - 22 - 3022=2, 3.5/2972=1, 1.8/3022=1 HD2 LYS 73 - HG3 LYS 13 OK 13 77 - 16 - 3012=1, 3.5/2972=1 HD3 LYS 73 - HG3 LYS 13 OK 13 77 - 16 - 3022=1, 3.5/2972=1 HD2 LYS 39 - HG2 LYS 73 OK 11 65 - 17 - 3012=1 HD3 LYS 39 - HG2 LYS 73 OK 11 63 - 17 - 3022=1 HG2 ARG 84 - HG2 LYS 73 OK 10 89 - 12 - 3.9/2962=1 HG3 ARG 84 - HG2 LYS 73 OK 10 89 - 12 - 3.9/2962=1 HB3 LEU 51 - HG2 LYS 73 lone 9 97 - 10 - 3.0/5255=1 HG2 ARG 71 - HG2 LYS 73 lone 8 98 - 8 - 5.0/2988=1 HB3 LEU 62 - HG2 LYS 73 lone 6 78 - 8 - 3.1/5005=1 HG2 ARG 84 - HG3 LYS 85 poor 6 56 - 11 - HG3 ARG 84 - HG3 LYS 85 poor 6 56 - 11 - HB2 LEU 86 - HG2 LYS 73 lone 5 100 - 5 - HB2 LEU 86 - HG3 LYS 85 lone 5 70 - 8 - 860/4.7=4 HG LEU 86 - HG2 LYS 73 lone 5 96 - 6 - HD2 LYS 39 - HG3 LYS 13 poor 5 43 - 12 - HD3 LYS 39 - HG3 LYS 13 poor 5 41 - 12 - HD3 LYS 32 - HG3 LYS 13 lone 5 77 - 6 - HD2 LYS 32 - HG3 LYS 13 lone 5 77 - 6 - HG LEU 86 - HG3 LYS 85 lone 4 63 - 7 - 5894/4.7=3 HG2 ARG 17 - HG2 LYS 73 lone 4 99 - 4 - HG3 ARG 17 - HG2 LYS 73 lone 4 98 - 4 - HD3 LYS 32 - HG3 LYS 85 lone 4 70 - 5 - HD2 LYS 32 - HG3 LYS 85 lone 4 71 - 5 - HG3 ARG 70 - HG2 LYS 73 lone 3 100 - 3 - HB3 LEU 51 - HG3 LYS 13 lone 2 70 - 3 - HD2 LYS 39 - HG3 LYS 85 lone 2 39 - 5 - HG3 ARG 70 - HG3 LYS 85 lone 2 70 - 3 - HD3 LYS 39 - HG3 LYS 85 lone 2 37 - 5 - HG2 ARG 17 - HG3 LYS 85 lone 2 67 - 3 - HG2 ARG 26 - HG2 LYS 73 lone 2 97 - 2 - HG3 ARG 17 - HG3 LYS 85 lone 2 66 - 3 - HG2 ARG 71 - HG3 LYS 85 lone 2 66 - 2 - HB2 LEU 86 - HG3 LYS 13 lone 1 76 - 2 - HG LEU 86 - HG3 LYS 13 lone 1 69 - 2 - HB3 LEU 62 - HG3 LYS 13 lone 1 53 - 2 - HB3 LEU 51 - HG3 LYS 85 lone 1 64 - 2 - HB3 LEU 62 - HG3 LYS 85 lone 1 48 - 3 - HG2 ARG 84 - HG3 LYS 13 lone 1 62 - 2 - HG3 ARG 84 - HG3 LYS 13 lone 1 62 - 2 - HG2 ARG 27 - HG2 LYS 73 lone 1 81 - 1 - HG3 ARG 27 - HG2 LYS 73 lone 1 78 - 1 - HG3 ARG 70 - HG3 LYS 13 lone 1 77 - 1 - HG2 ARG 71 - HG3 LYS 13 lone 1 73 - 1 - HG2 ARG 26 - HG3 LYS 85 lone 1 64 - 1 - HG2 ARG 17 - HG3 LYS 13 lone 1 73 - 1 - HG2 ARG 27 - HG3 LYS 85 lone 1 50 - 1 - HG3 ARG 17 - HG3 LYS 13 lone 1 73 - 1 - HG3 ARG 27 - HG3 LYS 85 lone 1 48 - 1 - HG2 ARG 27 - HG3 LYS 13 lone 0 55 - 1 - HG3 ARG 27 - HG3 LYS 13 lone 0 53 - 1 - HG2 ARG 26 - HG3 LYS 13 lone 0 70 - 1 - Peak 2995 from cnoeabs.peaks (1.61, 1.48, 24.53 ppm; 3.05 A): 2 out of 57 assignments used, quality = 1.00: * HD3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HD2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 - HG2 LYS 73 OK 32 100 - 33 - 3012=3, 1.8/3012=2...(4) HD2 LYS 32 - HG2 LYS 73 OK 32 100 - 32 - 3012=3, 1.8/3012=2...(4) HD2 LYS 73 - HG3 LYS 85 OK 16 71 - 22 - 3022=2, 3.5/2972=1, 1.8/3022=1 HD3 LYS 73 - HG3 LYS 85 OK 16 71 - 22 - 3022=2, 3.5/2972=1, 1.8/3022=1 HD2 LYS 73 - HG3 LYS 13 OK 13 77 - 16 - 3012=1, 3.5/2972=1 HD3 LYS 73 - HG3 LYS 13 OK 13 77 - 16 - 3022=1, 3.5/2972=1 HD2 LYS 39 - HG2 LYS 73 OK 11 65 - 17 - 3012=1 HD3 LYS 39 - HG2 LYS 73 OK 11 63 - 17 - 3022=1 HG2 ARG 84 - HG2 LYS 73 OK 10 89 - 12 - 3.9/2962=1 HG3 ARG 84 - HG2 LYS 73 OK 10 89 - 12 - 3.9/2962=1 HB3 LEU 51 - HG2 LYS 73 lone 9 97 - 10 - 3.0/5255=1 HG2 ARG 71 - HG2 LYS 73 lone 8 98 - 8 - 5.0/2988=1 HB3 LEU 62 - HG2 LYS 73 lone 6 78 - 8 - 3.1/5005=1 HG2 ARG 84 - HG3 LYS 85 poor 6 56 - 11 - HG3 ARG 84 - HG3 LYS 85 poor 6 56 - 11 - HB2 LEU 86 - HG2 LYS 73 lone 5 100 - 5 - HB2 LEU 86 - HG3 LYS 85 lone 5 70 - 8 - 860/4.7=4 HG LEU 86 - HG2 LYS 73 lone 5 96 - 6 - HD2 LYS 39 - HG3 LYS 13 poor 5 43 - 12 - HD3 LYS 39 - HG3 LYS 13 poor 5 41 - 12 - HD3 LYS 32 - HG3 LYS 13 lone 5 77 - 6 - HD2 LYS 32 - HG3 LYS 13 lone 5 77 - 6 - HG LEU 86 - HG3 LYS 85 lone 4 63 - 7 - 5894/4.7=3 HG2 ARG 17 - HG2 LYS 73 lone 4 99 - 4 - HG3 ARG 17 - HG2 LYS 73 lone 4 98 - 4 - HD3 LYS 32 - HG3 LYS 85 lone 4 70 - 5 - HD2 LYS 32 - HG3 LYS 85 lone 4 71 - 5 - HG3 ARG 70 - HG2 LYS 73 lone 3 100 - 3 - HB3 LEU 51 - HG3 LYS 13 lone 2 70 - 3 - HD2 LYS 39 - HG3 LYS 85 lone 2 39 - 5 - HG3 ARG 70 - HG3 LYS 85 lone 2 70 - 3 - HD3 LYS 39 - HG3 LYS 85 lone 2 37 - 5 - HG2 ARG 17 - HG3 LYS 85 lone 2 67 - 3 - HG2 ARG 26 - HG2 LYS 73 lone 2 97 - 2 - HG3 ARG 17 - HG3 LYS 85 lone 2 66 - 3 - HG2 ARG 71 - HG3 LYS 85 lone 2 66 - 2 - HB2 LEU 86 - HG3 LYS 13 lone 1 76 - 2 - HG LEU 86 - HG3 LYS 13 lone 1 69 - 2 - HB3 LEU 62 - HG3 LYS 13 lone 1 53 - 2 - HB3 LEU 51 - HG3 LYS 85 lone 1 64 - 2 - HB3 LEU 62 - HG3 LYS 85 lone 1 48 - 3 - HG2 ARG 84 - HG3 LYS 13 lone 1 62 - 2 - HG3 ARG 84 - HG3 LYS 13 lone 1 62 - 2 - HG2 ARG 27 - HG2 LYS 73 lone 1 81 - 1 - HG3 ARG 27 - HG2 LYS 73 lone 1 78 - 1 - HG3 ARG 70 - HG3 LYS 13 lone 1 77 - 1 - HG2 ARG 71 - HG3 LYS 13 lone 1 73 - 1 - HG2 ARG 26 - HG3 LYS 85 lone 1 64 - 1 - HG2 ARG 17 - HG3 LYS 13 lone 1 73 - 1 - HG2 ARG 27 - HG3 LYS 85 lone 1 50 - 1 - HG3 ARG 17 - HG3 LYS 13 lone 1 73 - 1 - HG3 ARG 27 - HG3 LYS 85 lone 1 48 - 1 - HG2 ARG 27 - HG3 LYS 13 lone 0 55 - 1 - HG3 ARG 27 - HG3 LYS 13 lone 0 53 - 1 - HG2 ARG 26 - HG3 LYS 13 lone 0 70 - 1 - Peak 2996 from cnoeabs.peaks (2.95, 1.48, 24.53 ppm; 4.16 A): 6 out of 36 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 68 68 - 100 - 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 67 67 - 100 - 3.8=100 HE3 LYS 75 + HG2 LYS 73 OK 51 99 - 52 - 3042=2, 3.5/2993=2...(12) HE2 LYS 75 + HG2 LYS 73 OK 50 99 - 52 - 3042=2, 3.5/2993=2...(12) HE2 LYS 32 - HG2 LYS 73 OK 37 100 - 37 - 3.0/2994=3, 3.0/2995=3...(9) HE3 LYS 32 - HG2 LYS 73 OK 37 100 - 37 - 3.0/2995=3, 3.0/2995=3...(9) HE3 LYS 75 - HG3 LYS 13 OK 34 74 - 47 - ~1026=2, ~1025=2...(16) HE2 LYS 75 - HG3 LYS 13 OK 34 73 - 47 - ~1026=2, ~1025=2...(16) HE3 LYS 13 - HG2 LYS 73 OK 31 95 - 32 - 3.8/1024=1, 3032=1...(6) HE2 LYS 13 - HG2 LYS 73 OK 30 93 - 33 - 3.8/1024=1, 3032=1...(6) HE3 LYS 75 - HG3 LYS 85 OK 16 68 - 24 - 6.7/5849=1 HE2 LYS 75 - HG3 LYS 85 OK 16 67 - 24 - 6.7/5849=1 HE2 LYS 39 - HG2 LYS 73 OK 15 73 - 21 - 4.7/2982=1, 3.6/2993=1 HE3 LYS 73 - HG3 LYS 85 OK 15 71 - 21 - 4.7/2972=2, 3.0/2995=1...(6) HE2 LYS 73 - HG3 LYS 85 OK 15 71 - 21 - 4.7/2972=2, 3.0/2995=1...(6) HE3 LYS 39 - HG2 LYS 73 OK 14 68 - 21 - 4.7/2982=1, 3.6/2993=1 HE3 LYS 73 - HG3 LYS 13 OK 14 77 - 19 - 4.7/2972=1, 3.7/3002=1...(4) HE2 LYS 73 - HG3 LYS 13 OK 14 77 - 19 - 4.7/2972=1, 3.7/3002=1...(4) HE3 LYS 13 - HG3 LYS 85 OK 12 62 - 19 - 3.8/1024=2, 5.2/1014=2...(4) HE2 LYS 13 - HG3 LYS 85 OK 12 61 - 19 - 3.8/1024=2, 5.2/1014=2...(4) HE2 LYS 32 - HG3 LYS 13 lone 7 77 - 9 - HE3 LYS 32 - HG3 LYS 13 lone 7 77 - 9 - HE2 LYS 39 - HG3 LYS 13 poor 7 49 - 14 - HE3 LYS 39 - HG3 LYS 13 poor 6 45 - 14 - HB3 TYR 81 - HG2 LYS 73 lone 5 68 - 7 - ~4685=2, ~4683=1...(4) HE2 LYS 32 - HG3 LYS 85 lone 5 71 - 6 - HE3 LYS 32 - HG3 LYS 85 lone 5 71 - 6 - HB3 TYR 55 - HG2 LYS 73 lone 4 93 - 4 - HE2 LYS 39 - HG3 LYS 85 lone 3 44 - 6 - HE3 LYS 39 - HG3 LYS 85 lone 2 41 - 6 - HB3 TYR 55 - HG3 LYS 13 lone 2 67 - 3 - HB3 TYR 81 - HG3 LYS 85 lone 1 41 - 2 - HB3 TYR 55 - HG3 LYS 85 lone 1 61 - 1 - HB3 TYR 81 - HG3 LYS 13 lone 1 45 - 1 - Peak 2997 from cnoeabs.peaks (2.95, 1.48, 24.53 ppm; 4.16 A): 6 out of 36 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 3.7=100 HE2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 67 67 - 100 - 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 65 65 - 100 - 3.8=100 HE3 LYS 75 + HG2 LYS 73 OK 50 99 - 52 - 3042=2, 3.5/2993=2...(12) HE2 LYS 75 + HG2 LYS 73 OK 50 98 - 52 - 3042=2, 3.5/2993=2...(12) HE2 LYS 32 - HG2 LYS 73 OK 37 100 - 37 - 3.0/2994=3, 3.0/2994=3...(9) HE3 LYS 32 - HG2 LYS 73 OK 37 100 - 37 - 3.0/2995=3, 3.0/2995=3...(9) HE3 LYS 75 - HG3 LYS 13 OK 34 73 - 47 - ~1026=2, ~1025=2...(16) HE2 LYS 75 - HG3 LYS 13 OK 34 73 - 47 - ~1026=2, ~1025=2...(16) HE3 LYS 13 - HG2 LYS 73 OK 30 93 - 32 - 3.8/1024=1, 3032=1...(6) HE2 LYS 13 - HG2 LYS 73 OK 30 92 - 33 - 3.8/1024=1, 3032=1...(6) HE3 LYS 75 - HG3 LYS 85 OK 16 67 - 24 - 6.7/5849=1 HE2 LYS 75 - HG3 LYS 85 OK 16 66 - 24 - 6.7/5849=1 HE3 LYS 73 - HG3 LYS 85 OK 15 71 - 21 - 4.7/2972=2, 3.0/2994=1...(6) HE2 LYS 39 - HG2 LYS 73 OK 15 71 - 21 - 4.7/2982=1, 3.6/2993=1 HE2 LYS 73 - HG3 LYS 85 OK 15 71 - 21 - 4.7/2972=2, 3.0/2994=1...(6) HE3 LYS 73 - HG3 LYS 13 OK 14 77 - 19 - 4.7/2972=1, 3.7/3002=1...(4) HE2 LYS 73 - HG3 LYS 13 OK 14 77 - 18 - 4.7/2972=1, 3.7/3002=1...(4) HE3 LYS 39 - HG2 LYS 73 OK 14 65 - 21 - 4.7/2982=1, 3.6/2993=1 HE3 LYS 13 - HG3 LYS 85 OK 12 61 - 19 - 3.8/1024=2, 5.2/1014=2...(4) HE2 LYS 13 - HG3 LYS 85 OK 11 59 - 19 - 3.8/1024=2, 5.2/1014=2...(4) HE2 LYS 32 - HG3 LYS 13 lone 7 77 - 9 - HE3 LYS 32 - HG3 LYS 13 lone 7 77 - 9 - HE2 LYS 39 - HG3 LYS 13 poor 7 47 - 14 - HE3 LYS 39 - HG3 LYS 13 poor 6 43 - 14 - HE2 LYS 32 - HG3 LYS 85 lone 5 71 - 6 - HE3 LYS 32 - HG3 LYS 85 lone 5 70 - 6 - HB3 TYR 81 - HG2 LYS 73 lone 4 65 - 7 - ~4685=2, ~4683=1...(4) HB3 TYR 55 - HG2 LYS 73 lone 4 95 - 4 - HE2 LYS 39 - HG3 LYS 85 lone 2 43 - 6 - HE3 LYS 39 - HG3 LYS 85 lone 2 39 - 6 - HB3 TYR 55 - HG3 LYS 13 lone 2 68 - 3 - HB3 TYR 55 - HG3 LYS 85 lone 1 62 - 1 - HB3 TYR 81 - HG3 LYS 85 lone 1 39 - 2 - HB3 TYR 81 - HG3 LYS 13 lone 1 43 - 1 - Peak 2998 from cnoeabs.peaks (8.00, 1.39, 24.53 ppm; 4.60 A): 2 out of 25 assignments used, quality = 0.97: * H LYS 73 + HG3 LYS 73 OK 95 100 - 95 - 4.9=82, 789/1.8=26...(18) H GLY 72 + HG3 LYS 73 OK 45 99 - 45 - 4.5/790=7, 2988/1.8=6...(13) H LYS 73 - HG2 LYS 85 OK 33 97 - 34 - 789/1.8=6, 790=4...(15) H ARG 69 - HG3 LYS 73 OK 32 93 - 35 - 2968/2.9=4, 2988/1.8=4...(14) H ARG 69 - HG2 LYS 75 OK 24 52 - 47 - 940/4.9=7, 5825/4.8=6...(15) H ARG 69 - HG3 LYS 75 OK 24 52 - 47 - 940/4.9=7, 5825/4.8=6...(15) H LYS 73 - HG3 LYS 75 OK 24 61 - 39 - 790=5, 787/2.7=5...(17) H LYS 73 - HG2 LYS 75 OK 24 61 - 39 - 790=5, 787/2.7=5...(17) H ARG 69 - HG2 LYS 85 OK 18 88 - 20 - 5825/4.8=3, 760/2.9=3...(8) H GLY 72 - HG3 LYS 75 OK 17 59 - 28 - 5397/4.8=5, 5839=3...(10) H GLY 72 - HG2 LYS 75 OK 17 59 - 28 - 5397/4.8=5, 5839=3...(10) H GLY 72 - HG2 LYS 85 OK 15 96 - 15 - 5397/4.8=3, 4.5/790=2...(6) H ALA 63 - HG3 LYS 73 OK 12 85 - 14 - 726/1.8=2, ~2608=1, 2968/2.9=1 H ALA 30 - HG3 LYS 73 OK 11 93 - 11 - 80/3.8=2, 2988/1.8=2, 2968/2.9=1 H ALA 30 - HG2 LYS 85 lone 9 88 - 10 - 81/2.9=2, 553/1.8=1 H LYS 73 - HG2 LYS 83 poor 8 79 - 10 - ~6062=1, 788/2.9=1, 790=1 H ALA 30 - HG2 LYS 75 poor 6 52 - 12 - 79/4.9=2, 83/2.9=1, 83/2.9=1 H ALA 30 - HG3 LYS 75 poor 6 52 - 12 - 79/4.9=2, 83/2.9=1, 83/2.9=1 H ARG 69 - HG2 LYS 83 lone 5 69 - 7 - H ALA 30 - HG2 LYS 83 lone 4 69 - 5 - 81/2.9=2 H GLY 72 - HG2 LYS 83 lone 3 77 - 4 - H ALA 63 - HG2 LYS 85 lone 3 79 - 4 - H ALA 63 - HG3 LYS 75 lone 2 45 - 5 - H ALA 63 - HG2 LYS 75 lone 2 45 - 5 - H ALA 63 - HG2 LYS 83 lone 2 60 - 3 - Peak 2999 from cnoeabs.peaks (4.18, 1.39, 24.53 ppm; 3.69 A): 1 out of 45 assignments used, quality = 0.97: * HA LYS 73 + HG3 LYS 73 OK 97 99 - 98 - 3.8=95, ~789=9...(19) HA ARG 84 - HG2 LYS 85 OK 30 97 - 31 - 377/4.8=9, 6062/2.9=4...(9) HA LYS 73 - HG2 LYS 85 OK 29 95 - 31 - 6062/2.9=4, 2963=3...(12) HA LYS 73 - HG3 LYS 75 OK 27 59 - 47 - 2963=4, 5431/4.9=4...(17) HA LYS 73 - HG2 LYS 75 OK 27 59 - 47 - 2963=4, 5431/4.9=4...(17) HA ILE 89 - HG3 LYS 73 OK 25 90 - 28 - 3599/2.9=5, 4.2/5274=3...(11) HA ARG 84 - HG3 LYS 73 OK 24 100 - 24 - 2962/1.8=3, 2969/2.9=2...(9) HA ILE 89 - HG2 LYS 85 OK 17 85 - 21 - 4038/4.7=3, 6062/2.9=3...(8) HA ARG 84 - HG2 LYS 83 OK 17 79 - 22 - 6062/2.9=3, 4.7/3427=3...(9) HA ALA 53 - HG3 LYS 73 OK 16 78 - 20 - 3.0/673=3, 2295=3...(6) HA ARG 82 - HG3 LYS 73 OK 14 98 - 14 - 5446=2, 6051/2.9=2...(5) HA LEU 29 - HG3 LYS 73 poor 9 71 - 13 - 786/4.9=1, 2962/1.8=1...(4) HA GLN 79 - HG3 LYS 73 lone 8 96 - 8 - 5446=2, 3.0/358=1, 6051/2.9=1 HA ALA 78 - HG3 LYS 73 lone 8 81 - 10 - HA ARG 82 - HG2 LYS 85 lone 8 94 - 8 - 3.6/5897=2, 5446=1, 6062/2.9=1 HA LYS 73 - HG2 LYS 83 lone 7 76 - 9 - 6062/2.9=2, 359/4.6=1 HA GLN 79 - HG2 LYS 75 poor 7 55 - 13 - 5431/4.9=3, 5446=2...(5) HA GLN 79 - HG3 LYS 75 poor 7 55 - 13 - 5431/4.9=3, 5446=2...(5) HA ARG 84 - HG2 LYS 75 poor 7 61 - 11 - 5431/4.9=1, 3.6/852=1 HA ARG 84 - HG3 LYS 75 poor 7 61 - 11 - 5431/4.9=1, 3.6/852=1 HA ARG 82 - HG2 LYS 83 lone 7 75 - 9 - 6062/2.9=2, 6051/2.9=2, 5446=1 HA LEU 29 - HG2 LYS 85 lone 6 66 - 9 - 6062/2.9=1 HA GLN 79 - HG2 LYS 85 lone 5 91 - 6 - 5446=1 HA ILE 89 - HG2 LYS 75 lone 5 50 - 10 - 4.2/5274=1, 3599/2.7=1 HA ILE 89 - HG3 LYS 75 lone 5 50 - 10 - 4.2/5274=1, 3599/2.7=1 HA ALA 53 - HG2 LYS 75 poor 4 41 - 10 - 2295=1, 2295/1.8=1...(4) HA ALA 53 - HG3 LYS 75 poor 4 41 - 10 - 2295=1, 2295/1.8=1...(4) HA ALA 78 - HG3 LYS 75 lone 4 42 - 10 - 5431/4.9=1, 3.6/358=1 HA ALA 78 - HG2 LYS 75 lone 4 42 - 10 - 5431/4.9=1, 3.6/358=1 HA GLN 79 - HG2 LYS 83 lone 4 71 - 6 - 5446=1 HA ARG 82 - HG3 LYS 75 lone 4 57 - 7 - 3.6/5897=1, 5446=1 HA ARG 82 - HG2 LYS 75 lone 4 57 - 7 - 3.6/5897=1, 5446=1 HA ALA 78 - HG2 LYS 85 lone 4 75 - 5 - HA LEU 29 - HG3 LYS 75 poor 4 36 - 10 - 5431/4.9=2 HA LEU 29 - HG2 LYS 75 poor 4 36 - 10 - 5431/4.9=2 HA ALA 53 - HG2 LYS 85 lone 3 73 - 5 - HB THR 15 - HG2 LYS 83 lone 3 62 - 5 - 1133/3.7=1 HB THR 15 - HG2 LYS 85 lone 3 81 - 4 - HA LEU 29 - HG2 LYS 83 lone 3 49 - 5 - 6062/2.9=1 HB THR 15 - HG3 LYS 73 lone 2 87 - 2 - HA ILE 89 - HG2 LYS 83 lone 2 65 - 3 - HA ALA 78 - HG2 LYS 83 lone 2 57 - 3 - HA ALA 53 - HG2 LYS 83 lone 1 55 - 2 - HB THR 15 - HG3 LYS 75 lone 1 47 - 3 - HB THR 15 - HG2 LYS 75 lone 1 47 - 3 - Peak 3000 from cnoeabs.peaks (1.82, 1.39, 24.53 ppm; 3.16 A): 2 out of 45 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 77 77 - 100 - 2.9=100 HB2 LYS 75 - HG2 LYS 75 OK 44 44 - 100 - 2.7=100 HB2 LYS 75 - HG3 LYS 75 OK 44 44 - 100 - 2.7=100 HB ILE 89 - HG3 LYS 73 OK 29 100 - 29 - 3605/3.8=3, 3.2/5274=3...(13) HB2 LYS 75 - HG3 LYS 73 OK 25 83 - 31 - 2972/1.8=3, 3.0/3070=2...(10) HB2 LYS 73 - HG2 LYS 75 OK 25 61 - 41 - 2973=2, 2.9/2993=2...(9) HB2 LYS 73 - HG3 LYS 75 OK 25 61 - 41 - 2973=2, 2.9/2993=2...(9) HB2 LYS 73 - HG2 LYS 85 OK 25 97 - 26 - 2972/1.8=2, 2973=1...(6) HB2 LYS 85 - HG3 LYS 73 OK 22 83 - 26 - 2972/1.8=2, 1.8/3447=2...(8) HB2 ARG 69 - HG3 LYS 73 OK 18 83 - 22 - 2797=3, 3.0/2789=2...(7) HB ILE 89 - HG2 LYS 85 OK 17 97 - 18 - 5903/4.7=2, 3609/1.8=2, ~3616=1 HB2 LYS 75 - HG2 LYS 85 OK 15 77 - 19 - 3.0/3071=2, 2972/1.8=1 HB3 ARG 84 - HG3 LYS 73 OK 14 83 - 17 - 3384/3.8=1, 3.0/2999=1 HB3 ARG 84 - HG2 LYS 85 OK 14 77 - 18 - 3385/2.9=2, 4.6/852=2...(6) HB2 ARG 69 - HG3 LYS 75 OK 13 44 - 29 - 2795=3, 2795/1.8=3...(10) HB2 ARG 69 - HG2 LYS 75 OK 13 44 - 29 - 2795=3, 2795/1.8=3...(10) HB2 LYS 85 - HG3 LYS 75 OK 12 44 - 27 - 1.8/3447=2, 3.0/3427=1...(4) HB2 LYS 85 - HG2 LYS 75 OK 12 44 - 27 - 1.8/3447=2, 3.0/3427=1...(4) HB2 ARG 69 - HG2 LYS 85 poor 10 77 - 13 - 2797=2 HB2 LYS 85 - HG2 LYS 83 poor 9 59 - 15 - 1.8/3447=1 HB ILE 89 - HG2 LYS 75 poor 7 61 - 11 - 3.2/5274=1 HB ILE 89 - HG3 LYS 75 poor 7 61 - 11 - 3.2/5274=1 HB2 LYS 73 - HG2 LYS 83 lone 6 79 - 7 - HB3 ARG 84 - HG2 LYS 83 lone 5 59 - 9 - 3385/2.9=1 HB2 ARG 17 - HG3 LYS 73 lone 4 89 - 5 - HB2 LYS 75 - HG2 LYS 83 lone 4 59 - 6 - HB2 ARG 69 - HG2 LYS 83 lone 3 59 - 4 - HB3 ARG 84 - HG2 LYS 75 lone 2 44 - 5 - HB3 ARG 84 - HG3 LYS 75 lone 2 44 - 5 - HB2 ARG 23 - HG2 LYS 75 lone 2 38 - 5 - HB2 ARG 23 - HG3 LYS 75 lone 2 38 - 5 - HB3 ARG 23 - HG2 LYS 75 lone 2 36 - 5 - HB3 ARG 23 - HG3 LYS 75 lone 2 36 - 5 - HB2 ARG 17 - HG2 LYS 85 lone 2 83 - 2 - HB ILE 89 - HG2 LYS 83 lone 2 79 - 2 - HB2 ARG 23 - HG3 LYS 73 lone 1 73 - 2 - HB3 ARG 23 - HG3 LYS 73 lone 1 71 - 2 - HB2 ARG 17 - HG2 LYS 75 lone 1 48 - 2 - HB2 ARG 17 - HG3 LYS 75 lone 1 48 - 2 - HB2 ARG 17 - HG2 LYS 83 lone 1 64 - 1 - HB2 ARG 23 - HG2 LYS 85 lone 1 68 - 1 - HB3 ARG 23 - HG2 LYS 85 lone 1 66 - 1 - HB2 ARG 23 - HG2 LYS 83 lone 0 51 - 1 - HB3 ARG 23 - HG2 LYS 83 lone 0 49 - 1 - Peak 3001 from cnoeabs.peaks (1.78, 1.39, 24.53 ppm; 3.10 A): 5 out of 90 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 83 + HG2 LYS 83 OK 78 78 - 100 - 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 66 66 - 100 - 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 56 56 - 100 - 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 56 56 - 100 - 2.7=100 HB3 LYS 39 - HG2 LYS 75 OK 30 60 - 50 - 2.9/1867=4, 3.0/1837=4...(19) HB3 LYS 39 - HG3 LYS 75 OK 30 60 - 50 - 2.9/1867=4, 3.0/1837=4...(19) HB3 LYS 75 - HG3 LYS 73 OK 29 97 - 30 - 3.0/3071=2, 2982/1.8=2...(7) HB2 LYS 32 - HG3 LYS 73 OK 26 100 - 26 - 1571/2.9=1, 1571/2.9=1 HB3 LYS 32 - HG3 LYS 73 OK 26 100 - 26 - 1571/2.9=1, 1571/2.9=1 HB3 LYS 73 - HG2 LYS 85 OK 23 97 - 24 - 3299/2.9=1, 3.0/2999=1...(8) HB3 LYS 73 - HG2 LYS 75 OK 23 61 - 38 - 2.9/2993=2, 3.0/2963=2...(9) HB3 LYS 73 - HG3 LYS 75 OK 23 61 - 38 - 2.9/2993=2, 3.0/2963=2...(9) HB3 LYS 39 - HG3 LYS 73 OK 21 100 - 21 - 2.9/1867=2, 3.0/1837=1 HB2 LYS 83 - HG2 LYS 85 OK 18 97 - 19 - ~3448=2, 1.8/3447=2...(4) HB2 LYS 13 - HG3 LYS 75 OK 17 55 - 32 - 3.0/3467=2, 3069/3.9=2...(5) HB2 LYS 13 - HG2 LYS 75 OK 17 55 - 32 - 3.0/3467=2, 3069/3.9=2...(5) HB2 LYS 13 - HG2 LYS 85 OK 17 91 - 19 - ~1014=2, 3299/2.9=1, ~1030=1 HB3 LYS 75 - HG2 LYS 85 OK 17 93 - 18 - 3.0/3070=2, 3299/2.9=1 HB2 LYS 13 - HG3 LYS 73 OK 16 96 - 16 - ~1014=1 HB2 LYS 85 - HG3 LYS 73 OK 15 71 - 22 - 1.8/3447=2, ~3448=1...(4) HB2 ARG 69 - HG3 LYS 73 OK 13 71 - 19 - 2797=2, 3.0/2789=2...(7) HB3 ARG 84 - HG2 LYS 85 OK 11 66 - 17 - 3385/2.9=2, 4.6/852=2...(6) HB3 ARG 84 - HG3 LYS 73 OK 11 71 - 16 - HB2 LEU 57 - HG3 LYS 73 OK 11 97 - 11 - 2438/1.8=2, 1.8/3002=1 HB2 ARG 69 - HG2 LYS 75 OK 10 36 - 29 - 2795=3, 341/4.9=2...(11) HB2 ARG 69 - HG3 LYS 75 OK 10 36 - 29 - 2795=3, 341/4.9=2...(11) HB2 LYS 85 - HG3 LYS 75 poor 9 36 - 26 - 1.8/3447=2, 3.0/3427=1...(4) HB2 LYS 85 - HG2 LYS 75 poor 9 36 - 26 - 1.8/3447=2, 3.0/3427=1...(4) HB2 LYS 83 - HG3 LYS 73 lone 9 100 - 9 - HB3 ARG 82 - HG3 LYS 73 lone 8 96 - 8 - 3.0/5446=1 HB2 ARG 69 - HG2 LYS 85 poor 8 66 - 12 - 2797=1 HB3 LYS 39 - HG2 LYS 85 lone 7 96 - 8 - HB2 ARG 54 - HG3 LYS 73 lone 7 96 - 8 - 3.0/4967=1, 4.1/209=1 HB3 LYS 32 - HG2 LYS 75 poor 7 60 - 12 - HB3 LYS 32 - HG3 LYS 75 poor 7 60 - 12 - HB2 LYS 32 - HG2 LYS 75 poor 7 60 - 12 - HB2 LYS 32 - HG3 LYS 75 poor 7 60 - 12 - HB2 LYS 85 - HG2 LYS 83 poor 7 49 - 15 - 3287/4.6=1, 1.8/3447=1...(4) HB2 LYS 83 - HG2 LYS 75 poor 7 60 - 11 - HB2 LYS 83 - HG3 LYS 75 poor 7 60 - 11 - HB3 LYS 73 - HG2 LYS 83 lone 6 79 - 8 - 3287/4.6=1 HB3 ARG 82 - HG2 LYS 83 lone 6 71 - 9 - 361/4.6=3 HG3 ARG 71 - HG3 LYS 73 lone 6 68 - 9 - 5.0/5839=1 HB3 LYS 75 - HG2 LYS 83 lone 5 74 - 7 - HB3 ARG 82 - HG2 LYS 85 lone 4 91 - 5 - 4.4/5897=1 HB3 ARG 84 - HG2 LYS 83 lone 4 49 - 9 - 3385/2.9=1 HB2 ARG 54 - HG3 LYS 75 lone 4 55 - 6 - HB2 ARG 54 - HG2 LYS 75 lone 4 55 - 6 - HB3 LYS 32 - HG2 LYS 85 lone 3 97 - 3 - HB2 LYS 32 - HG2 LYS 85 lone 3 97 - 3 - HB3 LYS 39 - HG2 LYS 83 lone 3 78 - 4 - HG2 PRO 34 - HG3 LYS 73 lone 3 87 - 3 - HB2 PRO 34 - HG3 LYS 73 lone 3 100 - 3 - HB ILE 33 - HG2 LYS 85 lone 3 94 - 3 - HB2 LYS 13 - HG2 LYS 83 lone 3 71 - 4 - HB2 LEU 57 - HG2 LYS 85 lone 2 92 - 3 - HB2 LEU 57 - HG3 LYS 75 lone 2 56 - 4 - HB2 LEU 57 - HG2 LYS 75 lone 2 56 - 4 - HB ILE 33 - HG3 LYS 73 lone 2 98 - 2 - HB3 ARG 82 - HG3 LYS 75 lone 2 55 - 4 - HB3 ARG 82 - HG2 LYS 75 lone 2 55 - 4 - HB3 ARG 84 - HG3 LYS 75 lone 2 36 - 6 - HB3 ARG 84 - HG2 LYS 75 lone 2 36 - 6 - HB2 ARG 69 - HG2 LYS 83 lone 2 49 - 4 - HG3 ARG 71 - HG2 LYS 85 lone 2 63 - 3 - HB2 PRO 34 - HG2 LYS 75 lone 2 61 - 3 - HB2 PRO 34 - HG3 LYS 75 lone 2 61 - 3 - HG3 ARG 71 - HG2 LYS 75 lone 2 35 - 5 - HG3 ARG 71 - HG3 LYS 75 lone 2 35 - 5 - HB2 ARG 54 - HG2 LYS 85 lone 1 91 - 2 - HB3 LYS 32 - HG2 LYS 83 lone 1 78 - 2 - HB2 LYS 32 - HG2 LYS 83 lone 1 78 - 2 - HB ILE 33 - HG2 LYS 75 lone 1 57 - 2 - HB ILE 33 - HG3 LYS 75 lone 1 57 - 2 - HB2 PRO 34 - HG2 LYS 85 lone 1 97 - 1 - HG2 PRO 34 - HG2 LYS 75 lone 1 47 - 3 - HG2 PRO 34 - HG3 LYS 75 lone 1 47 - 3 - HG3 ARG 26 - HG3 LYS 73 lone 1 60 - 2 - HB2 ARG 54 - HG2 LYS 83 lone 1 71 - 1 - HB2 PRO 34 - HG2 LYS 83 lone 1 79 - 1 - HG2 PRO 34 - HG2 LYS 85 lone 1 81 - 1 - HB2 LEU 57 - HG2 LYS 83 lone 1 72 - 1 - HG2 PRO 34 - HG2 LYS 83 lone 1 62 - 1 - HB ILE 33 - HG2 LYS 83 lone 1 75 - 1 - HG3 ARG 26 - HG2 LYS 85 lone 1 55 - 1 - HG3 ARG 71 - HG2 LYS 83 lone 0 47 - 1 - HG3 ARG 26 - HG2 LYS 83 lone 0 40 - 1 - HG3 ARG 26 - HG2 LYS 75 lone 0 30 - 1 - HG3 ARG 26 - HG3 LYS 75 lone 0 30 - 1 - Peak 3002 from cnoeabs.peaks (1.48, 1.39, 24.53 ppm; 2.40 A): 2 out of 30 assignments used, quality = 1.00: * HG2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 1.8=100 HG3 LYS 85 + HG2 LYS 85 OK 66 66 - 100 - 1.8=100 HG2 LYS 73 - HG3 LYS 75 OK 13 61 - 21 - 2972/2.7=1 HG2 LYS 73 - HG2 LYS 75 OK 13 61 - 21 - 2972/2.7=1 HG2 LYS 73 - HG2 LYS 85 OK 10 97 - 11 - HG3 LYS 85 - HG3 LYS 73 poor 9 71 - 12 - HG3 LYS 13 - HG2 LYS 75 poor 8 41 - 19 - HG3 LYS 13 - HG3 LYS 75 poor 8 41 - 19 - HG3 LYS 13 - HG3 LYS 73 lone 7 78 - 10 - HB3 LEU 57 - HG3 LYS 73 lone 7 97 - 7 - HG3 LYS 13 - HG2 LYS 85 lone 5 73 - 8 - HB3 LEU 52 - HG3 LYS 73 lone 4 100 - 4 - QB ALA 63 - HG3 LYS 73 lone 4 99 - 4 - HG3 LYS 85 - HG3 LYS 75 poor 4 36 - 11 - HG3 LYS 85 - HG2 LYS 75 poor 4 36 - 11 - HG3 LYS 85 - HG2 LYS 83 lone 2 49 - 5 - HG2 LYS 73 - HG2 LYS 83 lone 2 79 - 3 - HB3 LEU 57 - HG2 LYS 85 lone 1 93 - 1 - HB3 LEU 57 - HG3 LYS 75 lone 1 56 - 2 - HB3 LEU 57 - HG2 LYS 75 lone 1 56 - 2 - HB3 LEU 52 - HG2 LYS 85 lone 1 96 - 1 - HG3 LYS 13 - HG2 LYS 83 lone 1 55 - 1 - QB ALA 63 - HG3 LYS 75 lone 1 58 - 1 - QB ALA 63 - HG2 LYS 75 lone 1 58 - 1 - QB ALA 63 - HG2 LYS 85 lone 1 95 - 1 - HB3 LEU 52 - HG3 LYS 75 lone 0 60 - 1 - HB3 LEU 52 - HG2 LYS 75 lone 0 60 - 1 - HB3 LEU 57 - HG2 LYS 83 lone 0 74 - 0 - QB ALA 63 - HG2 LYS 83 lone 0 75 - 0 - HB3 LEU 52 - HG2 LYS 83 lone 0 78 - 0 - Peak 3003 from cnoeabs.peaks (1.39, 1.39, 24.53 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 HG2 LYS 85 + HG2 LYS 85 OK 93 93 - 100 HG3 LYS 75 + HG3 LYS 75 OK 61 61 - 100 HG2 LYS 75 + HG2 LYS 75 OK 61 61 - 100 HG2 LYS 83 + HG2 LYS 83 OK 60 60 - 100 Peak 3004 from cnoeabs.peaks (1.61, 1.39, 24.53 ppm; 3.03 A): 2 out of 95 assignments used, quality = 1.00: HD3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 * HD2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 - HG3 LYS 73 OK 30 100 - 31 - 2995/1.8=2, 3020/2.9=1...(7) HD2 LYS 32 - HG3 LYS 73 OK 30 100 - 31 - 2995/1.8=2, ~2995=1...(7) HD3 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3023=1...(5) HD3 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3013=1...(5) HD2 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3013=1...(5) HD2 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3023=1...(5) HD2 LYS 73 - HG2 LYS 85 OK 20 97 - 21 - 2.9/3002=1, 2994/1.8=1 HD3 LYS 73 - HG2 LYS 85 OK 20 97 - 21 - 2.9/3002=1, 2994/1.8=1 HD2 LYS 39 - HG3 LYS 75 OK 13 33 - 41 - 3.0/1867=4, ~1867=2...(9) HD2 LYS 39 - HG2 LYS 75 OK 13 33 - 41 - 3.0/1867=4, ~1867=2...(9) HD3 LYS 39 - HG2 LYS 75 OK 13 31 - 41 - 3.0/1867=4, ~1867=2...(9) HD3 LYS 39 - HG3 LYS 75 OK 13 31 - 41 - 3.0/1867=4, ~1867=2...(9) HD2 LYS 39 - HG3 LYS 73 OK 12 65 - 18 - 3.0/1867=1 HD3 LYS 39 - HG3 LYS 73 OK 11 63 - 18 - 3.0/1867=1 HG3 ARG 84 - HG3 LYS 73 OK 11 89 - 12 - HG2 ARG 84 - HG3 LYS 73 OK 11 89 - 12 - HD3 LYS 32 - HG2 LYS 75 poor 10 61 - 16 - HD3 LYS 32 - HG3 LYS 75 poor 10 61 - 16 - HD2 LYS 32 - HG2 LYS 75 poor 10 61 - 15 - HD2 LYS 32 - HG3 LYS 75 poor 10 61 - 15 - HG2 ARG 84 - HG2 LYS 85 poor 9 83 - 11 - HG3 ARG 84 - HG2 LYS 85 poor 9 83 - 11 - HB3 LEU 51 - HG3 LYS 73 lone 9 97 - 9 - 3.0/5257=1 HG2 ARG 71 - HG3 LYS 73 lone 8 98 - 8 - 5.0/5839=1 HB2 LEU 86 - HG2 LYS 85 lone 8 97 - 8 - 860/4.7=4 HB3 LEU 51 - HG3 LYS 75 poor 6 56 - 11 - ~5204=1, ~5203=1...(4) HB3 LEU 51 - HG2 LYS 75 poor 6 56 - 11 - ~5204=1, ~5203=1...(4) HB2 LEU 86 - HG3 LYS 73 lone 6 100 - 6 - HG3 ARG 70 - HG3 LYS 73 lone 6 100 - 6 - 4.0/5983=2 HG LEU 86 - HG2 LYS 85 lone 6 91 - 7 - 5894/4.7=3 HG LEU 86 - HG3 LYS 73 lone 6 96 - 6 - HB3 LEU 62 - HG3 LYS 73 lone 5 78 - 6 - HD3 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HD2 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HG2 ARG 17 - HG3 LYS 73 lone 4 99 - 4 - HG3 ARG 17 - HG3 LYS 73 lone 4 98 - 4 - HG3 ARG 70 - HG2 LYS 85 lone 4 97 - 4 - HD3 LYS 73 - HG2 LYS 83 lone 4 79 - 5 - HD2 LYS 73 - HG2 LYS 83 lone 4 79 - 5 - HG3 ARG 84 - HG2 LYS 83 lone 4 64 - 6 - HG2 ARG 84 - HG2 LYS 83 lone 4 64 - 6 - HD2 LYS 39 - HG2 LYS 85 lone 3 60 - 5 - HD3 LYS 39 - HG2 LYS 85 lone 3 58 - 5 - HG3 ARG 70 - HG2 LYS 75 lone 3 61 - 4 - 4.0/5983=1, 4.9/298=1 HG3 ARG 70 - HG3 LYS 75 lone 3 61 - 4 - 4.0/5983=1, 4.9/298=1 HG2 ARG 17 - HG2 LYS 85 lone 3 95 - 3 - HG3 ARG 17 - HG2 LYS 85 lone 3 94 - 3 - HG2 ARG 71 - HG3 LYS 75 lone 3 57 - 4 - HG2 ARG 71 - HG2 LYS 75 lone 3 57 - 4 - HG2 ARG 71 - HG2 LYS 85 lone 2 94 - 2 - HB2 LEU 86 - HG3 LYS 75 lone 2 60 - 3 - HB2 LEU 86 - HG2 LYS 75 lone 2 60 - 3 - HG2 ARG 26 - HG3 LYS 73 lone 2 97 - 2 - HB3 LEU 62 - HG2 LYS 85 lone 2 73 - 3 - HG LEU 86 - HG3 LYS 75 lone 2 55 - 3 - HG LEU 86 - HG2 LYS 75 lone 2 55 - 3 - HB3 LEU 51 - HG2 LYS 85 lone 2 92 - 2 - HG2 ARG 84 - HG3 LYS 75 lone 2 48 - 3 - HG3 ARG 84 - HG2 LYS 75 lone 2 48 - 3 - HG3 ARG 84 - HG3 LYS 75 lone 2 48 - 3 - HG2 ARG 84 - HG2 LYS 75 lone 2 48 - 3 - HB2 LEU 86 - HG2 LYS 83 lone 1 78 - 2 - HG3 ARG 70 - HG2 LYS 83 lone 1 79 - 2 - HD3 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HD2 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HG LEU 86 - HG2 LYS 83 lone 1 71 - 2 - HD2 LYS 39 - HG2 LYS 83 lone 1 45 - 3 - HD3 LYS 39 - HG2 LYS 83 lone 1 42 - 3 - HG2 ARG 27 - HG3 LYS 73 lone 1 81 - 1 - HG3 ARG 27 - HG3 LYS 73 lone 1 78 - 1 - HG2 ARG 26 - HG2 LYS 85 lone 1 92 - 1 - HB3 LEU 62 - HG2 LYS 75 lone 1 41 - 2 - HB3 LEU 62 - HG3 LYS 75 lone 1 41 - 2 - HG2 ARG 17 - HG2 LYS 83 lone 1 75 - 1 - HG3 ARG 17 - HG2 LYS 83 lone 1 75 - 1 - HG2 ARG 17 - HG3 LYS 75 lone 1 58 - 1 - HG2 ARG 17 - HG2 LYS 75 lone 1 58 - 1 - HG3 ARG 17 - HG2 LYS 75 lone 1 57 - 1 - HG3 ARG 17 - HG3 LYS 75 lone 1 57 - 1 - HB3 LEU 51 - HG2 LYS 83 lone 1 72 - 1 - HG2 ARG 71 - HG2 LYS 83 lone 1 75 - 1 - HG2 ARG 27 - HG2 LYS 85 lone 1 75 - 1 - HG3 ARG 27 - HG2 LYS 85 lone 1 73 - 1 - HB3 LEU 62 - HG2 LYS 83 lone 1 55 - 1 - HG2 ARG 27 - HG2 LYS 75 lone 1 42 - 1 - HG2 ARG 27 - HG3 LYS 75 lone 1 42 - 1 - HG3 ARG 27 - HG3 LYS 75 lone 1 41 - 1 - HG3 ARG 27 - HG2 LYS 75 lone 1 41 - 1 - HG2 ARG 26 - HG2 LYS 83 lone 0 72 - 1 - HG2 ARG 26 - HG2 LYS 75 lone 0 56 - 1 - HG2 ARG 26 - HG3 LYS 75 lone 0 56 - 1 - HG2 ARG 27 - HG2 LYS 83 lone 0 57 - 0 - HG3 ARG 27 - HG2 LYS 83 lone 0 55 - 0 - Peak 3005 from cnoeabs.peaks (1.61, 1.39, 24.53 ppm; 3.03 A): 2 out of 95 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HD2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HD3 LYS 32 - HG3 LYS 73 OK 30 100 - 31 - 2995/1.8=2, 3020/2.9=1...(7) HD2 LYS 32 - HG3 LYS 73 OK 30 100 - 31 - 2995/1.8=2, ~2995=1...(7) HD3 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3023=1...(5) HD3 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3013=1...(5) HD2 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3013=1...(5) HD2 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 2.9/2993=2, 3023=1...(5) HD2 LYS 73 - HG2 LYS 85 OK 20 97 - 21 - 2.9/3002=1, 2994/1.8=1 HD3 LYS 73 - HG2 LYS 85 OK 20 97 - 21 - 2.9/3002=1, 2994/1.8=1 HD2 LYS 39 - HG3 LYS 75 OK 13 33 - 41 - 3.0/1867=4, ~1867=2...(9) HD2 LYS 39 - HG2 LYS 75 OK 13 33 - 41 - 3.0/1867=4, ~1867=2...(9) HD3 LYS 39 - HG2 LYS 75 OK 13 31 - 41 - 3.0/1867=4, ~1867=2...(9) HD3 LYS 39 - HG3 LYS 75 OK 13 31 - 41 - 3.0/1867=4, ~1867=2...(9) HD2 LYS 39 - HG3 LYS 73 OK 12 65 - 18 - 3.0/1867=1 HD3 LYS 39 - HG3 LYS 73 OK 11 63 - 18 - 3.0/1867=1 HG3 ARG 84 - HG3 LYS 73 OK 11 89 - 12 - HG2 ARG 84 - HG3 LYS 73 OK 11 89 - 12 - HD3 LYS 32 - HG2 LYS 75 poor 10 61 - 16 - HD3 LYS 32 - HG3 LYS 75 poor 10 61 - 16 - HD2 LYS 32 - HG2 LYS 75 poor 10 61 - 15 - HD2 LYS 32 - HG3 LYS 75 poor 10 61 - 15 - HG2 ARG 84 - HG2 LYS 85 poor 9 83 - 11 - HG3 ARG 84 - HG2 LYS 85 poor 9 83 - 11 - HB3 LEU 51 - HG3 LYS 73 lone 9 97 - 9 - 3.0/5257=1 HG2 ARG 71 - HG3 LYS 73 lone 8 98 - 8 - 5.0/5839=1 HB2 LEU 86 - HG2 LYS 85 lone 8 97 - 8 - 860/4.7=4 HB3 LEU 51 - HG3 LYS 75 poor 6 56 - 11 - ~5204=1, ~5203=1...(4) HB3 LEU 51 - HG2 LYS 75 poor 6 56 - 11 - ~5204=1, ~5203=1...(4) HB2 LEU 86 - HG3 LYS 73 lone 6 100 - 6 - HG3 ARG 70 - HG3 LYS 73 lone 6 100 - 6 - 4.0/5983=2 HG LEU 86 - HG2 LYS 85 lone 6 91 - 7 - 5894/4.7=3 HG LEU 86 - HG3 LYS 73 lone 6 96 - 6 - HB3 LEU 62 - HG3 LYS 73 lone 5 78 - 6 - HD3 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HD2 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HG2 ARG 17 - HG3 LYS 73 lone 4 99 - 4 - HG3 ARG 17 - HG3 LYS 73 lone 4 98 - 4 - HG3 ARG 70 - HG2 LYS 85 lone 4 97 - 4 - HD3 LYS 73 - HG2 LYS 83 lone 4 79 - 5 - HD2 LYS 73 - HG2 LYS 83 lone 4 79 - 5 - HG3 ARG 84 - HG2 LYS 83 lone 4 64 - 6 - HG2 ARG 84 - HG2 LYS 83 lone 4 64 - 6 - HD2 LYS 39 - HG2 LYS 85 lone 3 60 - 5 - HD3 LYS 39 - HG2 LYS 85 lone 3 58 - 5 - HG3 ARG 70 - HG2 LYS 75 lone 3 61 - 4 - 4.0/5983=1, 4.9/298=1 HG3 ARG 70 - HG3 LYS 75 lone 3 61 - 4 - 4.0/5983=1, 4.9/298=1 HG2 ARG 17 - HG2 LYS 85 lone 3 95 - 3 - HG3 ARG 17 - HG2 LYS 85 lone 3 94 - 3 - HG2 ARG 71 - HG3 LYS 75 lone 3 57 - 4 - HG2 ARG 71 - HG2 LYS 75 lone 3 57 - 4 - HG2 ARG 71 - HG2 LYS 85 lone 2 94 - 2 - HB2 LEU 86 - HG3 LYS 75 lone 2 60 - 3 - HB2 LEU 86 - HG2 LYS 75 lone 2 60 - 3 - HG2 ARG 26 - HG3 LYS 73 lone 2 97 - 2 - HB3 LEU 62 - HG2 LYS 85 lone 2 73 - 3 - HG LEU 86 - HG3 LYS 75 lone 2 55 - 3 - HG LEU 86 - HG2 LYS 75 lone 2 55 - 3 - HB3 LEU 51 - HG2 LYS 85 lone 2 92 - 2 - HG2 ARG 84 - HG3 LYS 75 lone 2 48 - 3 - HG3 ARG 84 - HG2 LYS 75 lone 2 48 - 3 - HG3 ARG 84 - HG3 LYS 75 lone 2 48 - 3 - HG2 ARG 84 - HG2 LYS 75 lone 2 48 - 3 - HB2 LEU 86 - HG2 LYS 83 lone 1 78 - 2 - HG3 ARG 70 - HG2 LYS 83 lone 1 79 - 2 - HD3 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HD2 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HG LEU 86 - HG2 LYS 83 lone 1 71 - 2 - HD2 LYS 39 - HG2 LYS 83 lone 1 45 - 3 - HD3 LYS 39 - HG2 LYS 83 lone 1 42 - 3 - HG2 ARG 27 - HG3 LYS 73 lone 1 81 - 1 - HG3 ARG 27 - HG3 LYS 73 lone 1 78 - 1 - HG2 ARG 26 - HG2 LYS 85 lone 1 92 - 1 - HB3 LEU 62 - HG2 LYS 75 lone 1 41 - 2 - HB3 LEU 62 - HG3 LYS 75 lone 1 41 - 2 - HG2 ARG 17 - HG2 LYS 83 lone 1 75 - 1 - HG3 ARG 17 - HG2 LYS 83 lone 1 75 - 1 - HG2 ARG 17 - HG3 LYS 75 lone 1 58 - 1 - HG2 ARG 17 - HG2 LYS 75 lone 1 58 - 1 - HG3 ARG 17 - HG2 LYS 75 lone 1 57 - 1 - HG3 ARG 17 - HG3 LYS 75 lone 1 57 - 1 - HB3 LEU 51 - HG2 LYS 83 lone 1 72 - 1 - HG2 ARG 71 - HG2 LYS 83 lone 1 75 - 1 - HG2 ARG 27 - HG2 LYS 85 lone 1 75 - 1 - HG3 ARG 27 - HG2 LYS 85 lone 1 73 - 1 - HB3 LEU 62 - HG2 LYS 83 lone 1 55 - 1 - HG2 ARG 27 - HG2 LYS 75 lone 1 42 - 1 - HG2 ARG 27 - HG3 LYS 75 lone 1 42 - 1 - HG3 ARG 27 - HG3 LYS 75 lone 1 41 - 1 - HG3 ARG 27 - HG2 LYS 75 lone 1 41 - 1 - HG2 ARG 26 - HG2 LYS 83 lone 0 72 - 1 - HG2 ARG 26 - HG2 LYS 75 lone 0 56 - 1 - HG2 ARG 26 - HG3 LYS 75 lone 0 56 - 1 - HG2 ARG 27 - HG2 LYS 83 lone 0 57 - 0 - HG3 ARG 27 - HG2 LYS 83 lone 0 55 - 0 - Peak 3006 from cnoeabs.peaks (2.95, 1.39, 24.53 ppm; 3.87 A): 6 out of 60 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 75 + HG2 LYS 75 OK 59 59 - 100 - 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 59 59 - 100 - 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 58 58 - 100 - 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 58 58 - 100 - 3.5=100 HE3 LYS 75 - HG3 LYS 73 OK 43 99 - 44 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 75 - HG3 LYS 73 OK 43 99 - 44 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 32 - HG3 LYS 73 OK 31 100 - 32 - 3.0/3005=2, 3.0/3004=2...(8) HE3 LYS 32 - HG3 LYS 73 OK 31 100 - 32 - 3.0/3005=2, 3.0/3005=2...(8) HE3 LYS 13 - HG3 LYS 73 OK 25 95 - 26 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 25 93 - 26 - 3032/1.8=1 HE3 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 13 - HG3 LYS 75 OK 21 53 - 40 - 3.8/3467=2, 2.9/3131=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 21 53 - 40 - 3.8/3467=2, 2.9/3131=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 21 52 - 40 - 3.8/3467=2, 2.9/3131=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 21 52 - 40 - 3.8/3467=2, 2.9/3131=2...(8) HE3 LYS 75 - HG2 LYS 85 OK 20 95 - 21 - HE2 LYS 75 - HG2 LYS 85 OK 20 95 - 21 - HE3 LYS 73 - HG2 LYS 85 OK 17 97 - 18 - 3.7/3002=1, 3.0/3005=1 HE2 LYS 73 - HG2 LYS 85 OK 17 97 - 18 - 3.7/3002=1, 3.0/3004=1 HE2 LYS 39 - HG3 LYS 75 OK 16 38 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 16 38 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG3 LYS 75 OK 14 35 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG2 LYS 75 OK 14 35 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG3 LYS 73 OK 14 73 - 19 - 3.6/1867=2 HE3 LYS 39 - HG3 LYS 73 OK 13 68 - 19 - 3.6/1867=2 HE3 LYS 13 - HG2 LYS 85 OK 13 90 - 14 - HE2 LYS 13 - HG2 LYS 85 OK 13 88 - 14 - HE2 LYS 32 - HG3 LYS 75 OK 12 61 - 20 - HE2 LYS 32 - HG2 LYS 75 OK 12 61 - 20 - HE3 LYS 32 - HG2 LYS 75 OK 12 61 - 19 - HE3 LYS 32 - HG3 LYS 75 OK 12 61 - 19 - HE2 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HE3 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HB3 TYR 81 - HG3 LYS 73 lone 5 68 - 7 - 2.5/4685=2, ~4683=1, 4.4/4686=1 HB3 TYR 55 - HG3 LYS 73 lone 4 93 - 4 - 3.8/5732=2 HE3 LYS 75 - HG2 LYS 83 lone 4 76 - 5 - HE2 LYS 75 - HG2 LYS 83 lone 4 75 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 4 68 - 5 - HE3 LYS 39 - HG2 LYS 85 lone 3 63 - 5 - HB3 TYR 55 - HG3 LYS 75 lone 3 52 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 3 52 - 6 - 3.8/5732=1 HE3 LYS 73 - HG2 LYS 83 lone 3 79 - 4 - HE2 LYS 73 - HG2 LYS 83 lone 3 79 - 4 - HB3 TYR 81 - HG2 LYS 75 lone 2 35 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG3 LYS 75 lone 2 35 - 7 - 2.5/4685=2, ~4685=1 HE3 LYS 13 - HG2 LYS 83 lone 2 70 - 3 - HE2 LYS 13 - HG2 LYS 83 lone 2 69 - 3 - HB3 TYR 81 - HG2 LYS 85 lone 1 63 - 2 - HE2 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HE3 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HE2 LYS 39 - HG2 LYS 83 lone 1 51 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 1 88 - 1 - HB3 TYR 81 - HG2 LYS 83 lone 1 47 - 3 - HE3 LYS 39 - HG2 LYS 83 lone 1 47 - 2 - HB3 TYR 55 - HG2 LYS 83 lone 1 69 - 1 - Peak 3007 from cnoeabs.peaks (2.95, 1.39, 24.53 ppm; 3.87 A): 6 out of 60 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 3.7=100 HE2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 3.7=100 HE3 LYS 75 + HG3 LYS 75 OK 58 58 - 100 - 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 58 58 - 100 - 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 57 57 - 100 - 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 57 57 - 100 - 3.5=100 HE3 LYS 75 - HG3 LYS 73 OK 43 99 - 44 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 75 - HG3 LYS 73 OK 43 98 - 44 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 32 - HG3 LYS 73 OK 31 100 - 32 - 3.0/3005=2, 3.0/3004=2...(8) HE3 LYS 32 - HG3 LYS 73 OK 31 100 - 32 - 3.0/3005=2, 3.0/3005=2...(8) HE3 LYS 13 - HG3 LYS 73 OK 25 93 - 26 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 24 92 - 26 - 3032/1.8=1 HE3 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE3 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE2 LYS 73 - HG3 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG2 LYS 75 OK 23 61 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 13 - HG3 LYS 75 OK 21 52 - 40 - 3.8/3467=2, 2.9/3120=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 21 52 - 40 - 3.8/3467=2, 2.9/3130=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 21 51 - 40 - 3.8/3467=2, 2.9/3130=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 21 51 - 40 - 3.8/3467=2, 2.9/3130=2...(8) HE3 LYS 75 - HG2 LYS 85 OK 20 95 - 21 - HE2 LYS 75 - HG2 LYS 85 OK 20 94 - 21 - HE3 LYS 73 - HG2 LYS 85 OK 17 97 - 18 - 3.7/3002=1, 3.0/3004=1 HE2 LYS 73 - HG2 LYS 85 OK 17 97 - 18 - 3.7/3002=1, 3.0/3004=1 HE2 LYS 39 - HG3 LYS 75 OK 15 36 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 15 36 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG3 LYS 73 OK 14 71 - 19 - 3.6/1867=2 HE3 LYS 39 - HG2 LYS 75 OK 14 33 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG3 LYS 75 OK 14 33 - 42 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG3 LYS 73 OK 13 65 - 19 - 3.6/1867=2 HE3 LYS 13 - HG2 LYS 85 OK 13 88 - 14 - HE2 LYS 13 - HG2 LYS 85 OK 12 87 - 14 - HE2 LYS 32 - HG3 LYS 75 OK 12 61 - 20 - HE2 LYS 32 - HG2 LYS 75 OK 12 61 - 20 - HE3 LYS 32 - HG2 LYS 75 OK 12 61 - 19 - HE3 LYS 32 - HG3 LYS 75 OK 12 61 - 19 - HE2 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HE3 LYS 32 - HG2 LYS 85 lone 5 97 - 5 - HB3 TYR 81 - HG3 LYS 73 lone 5 65 - 7 - 2.5/4685=2, ~4683=1, 4.4/4686=1 HB3 TYR 55 - HG3 LYS 73 lone 4 95 - 4 - 3.8/5732=2 HE3 LYS 75 - HG2 LYS 83 lone 4 75 - 5 - HE2 LYS 75 - HG2 LYS 83 lone 4 75 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 3 66 - 5 - HB3 TYR 55 - HG3 LYS 75 lone 3 53 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 3 53 - 6 - 3.8/5732=1 HE3 LYS 39 - HG2 LYS 85 lone 3 60 - 5 - HE3 LYS 73 - HG2 LYS 83 lone 3 79 - 4 - HE2 LYS 73 - HG2 LYS 83 lone 3 79 - 4 - HB3 TYR 81 - HG2 LYS 75 lone 2 33 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG3 LYS 75 lone 2 33 - 7 - 2.5/4685=2, ~4685=1 HE3 LYS 13 - HG2 LYS 83 lone 2 69 - 3 - HE2 LYS 13 - HG2 LYS 83 lone 2 67 - 3 - HB3 TYR 81 - HG2 LYS 85 lone 1 60 - 2 - HE2 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HE3 LYS 32 - HG2 LYS 83 lone 1 79 - 2 - HE2 LYS 39 - HG2 LYS 83 lone 1 49 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 1 90 - 1 - HB3 TYR 81 - HG2 LYS 83 lone 1 45 - 3 - HE3 LYS 39 - HG2 LYS 83 lone 1 45 - 2 - HB3 TYR 55 - HG2 LYS 83 lone 1 70 - 1 - Peak 3008 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 4.50 A): 3 out of 35 assignments used, quality = 0.99: H GLY 72 + HG2 ARG 71 OK 84 96 - 87 - 5.0=74, 5397/5.0=16...(10) * H LYS 73 + HD2 LYS 73 OK 80 100 - 80 - 6.1=40, 789/2.9=21...(17) H LYS 73 + HD3 LYS 73 OK 80 100 - 80 - 6.1=40, 789/2.9=21...(17) H GLY 72 - HD3 LYS 73 OK 36 99 - 37 - 2988/2.9=5, 4.5/791=5...(11) H GLY 72 - HD2 LYS 73 OK 36 99 - 37 - 2988/2.9=5, 4.5/791=5...(11) H LYS 73 - HD3 LYS 32 OK 35 100 - 35 - 5987/5.1=5, 791=4...(14) H LYS 73 - HD2 LYS 32 OK 35 100 - 35 - 5987/5.1=5, 791=4...(16) H LYS 73 - HG2 ARG 71 OK 25 98 - 25 - 4.5/5840=6, 942/5.0=5...(8) H ARG 69 - HD3 LYS 73 OK 22 93 - 24 - 2968/3.5=4, 2988/2.9=3...(9) H ARG 69 - HD2 LYS 73 OK 22 93 - 24 - 2968/3.5=4, 2988/2.9=3...(9) H GLY 72 - HD3 LYS 32 OK 21 99 - 21 - 5840=3, 5840/1.8=2...(9) H ARG 69 - HG2 ARG 71 OK 21 89 - 24 - 5825/5.0=10, 3.6/5045=4...(7) H GLY 72 - HD2 LYS 32 OK 21 99 - 21 - 5840=2, 5840/1.8=2...(9) H ALA 63 - HG2 ARG 71 OK 18 80 - 23 - 256/1.8=4, 725/3.8=3...(7) H ALA 30 - HG2 ARG 71 OK 16 89 - 17 - 5387/3.8=5, 942/5.0=2...(4) H ALA 30 - HD3 LYS 32 OK 14 93 - 15 - 5535/3.0=4, 79/6.1=3, 4841/5.1=3 H ALA 30 - HD2 LYS 32 OK 14 93 - 15 - 5535/3.0=4, 79/6.1=3, 4841/5.1=3 H ALA 63 - HD3 LYS 73 OK 12 85 - 14 - 726/2.9=2 H ALA 63 - HD2 LYS 73 OK 12 85 - 14 - 726/2.9=2 H ARG 69 - HD3 LYS 32 OK 12 93 - 12 - 4.6/771=2, 5379/5.1=2...(5) H ARG 69 - HD2 LYS 32 OK 12 93 - 12 - 4.6/771=2, 5379/5.1=2...(5) H LYS 73 - HD2 LYS 39 poor 9 65 - 13 - 790/3.0=2, 788/3.5=1, 791=1 H ALA 30 - HD3 LYS 73 lone 9 93 - 9 - 2988/2.9=1, 80/5.2=1 H ALA 30 - HD2 LYS 73 lone 9 93 - 9 - 2988/2.9=1, 80/5.2=1 H LYS 73 - HD3 LYS 39 poor 8 63 - 13 - 790/3.0=2, 788/3.5=1 H ALA 63 - HD2 LYS 32 lone 5 85 - 6 - H ALA 63 - HD2 LYS 39 poor 5 49 - 10 - 258/3.0=1, 4690/5.0=1, 934/6.2=1 H ALA 63 - HD3 LYS 32 lone 5 85 - 6 - H ALA 63 - HD3 LYS 39 poor 5 47 - 10 - 258/3.0=1, 4690/5.0=1, 934/6.2=1 H ARG 69 - HD2 LYS 39 lone 5 56 - 8 - 760/3.5=2, 761/3.0=2 H ARG 69 - HD3 LYS 39 lone 4 54 - 8 - 760/3.5=2, 761/3.0=2 H GLY 72 - HD2 LYS 39 lone 4 64 - 6 - 5841/3.5=1, 5839/3.0=1 H GLY 72 - HD3 LYS 39 lone 4 61 - 6 - 5841/3.5=1, 5839/3.0=1 H ALA 30 - HD2 LYS 39 lone 3 56 - 5 - H ALA 30 - HD3 LYS 39 lone 3 54 - 5 - Peak 3009 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 3.92 A): 3 out of 63 assignments used, quality = 0.96: * HA LYS 73 + HD2 LYS 73 OK 76 99 - 77 - 5.2=43, 2960/3.5=8...(21) HA LYS 73 + HD3 LYS 73 OK 76 99 - 77 - 5.2=43, 2960/3.5=8...(21) HA LYS 73 + HD3 LYS 32 OK 35 99 - 36 - 3.0/791=2, 3.8/2995=2...(15) HA LYS 73 - HD2 LYS 32 OK 35 99 - 36 - 3.0/792=2, 3.8/2994=2...(15) HA ARG 84 - HD3 LYS 73 OK 24 100 - 24 - 2962/2.9=2, 2969/3.5=2...(8) HA ARG 84 - HD2 LYS 73 OK 24 100 - 24 - 2962/2.9=2, 2969/3.5=2...(8) HA ILE 89 - HD3 LYS 73 OK 18 90 - 20 - 3599/3.5=5, 2989/2.9=2...(6) HA ILE 89 - HD2 LYS 73 OK 18 90 - 20 - 3599/3.5=5, 2989/2.9=2...(6) HA LEU 29 - HD2 LYS 32 OK 14 71 - 20 - ~1594=2, ~78=2, ~1584=2...(7) HA LEU 29 - HD3 LYS 32 OK 14 71 - 20 - ~1594=2, ~78=2, ~1584=2...(7) HA ARG 84 - HD3 LYS 32 OK 12 100 - 12 - HA ARG 84 - HD2 LYS 32 OK 12 100 - 12 - HA ARG 84 - HG2 ARG 71 OK 12 98 - 12 - HA LYS 73 - HD2 LYS 39 OK 12 63 - 19 - HA LYS 73 - HG2 ARG 71 OK 12 96 - 12 - 2958/5.0=2, 3.0/791=1 HA ARG 82 - HD3 LYS 73 OK 12 98 - 12 - 3.6/5896=2, 5446/2.9=2...(5) HA ARG 82 - HD2 LYS 73 OK 12 98 - 12 - 3.6/5896=2, 5446/2.9=2...(5) HA LYS 73 - HD3 LYS 39 OK 12 60 - 19 - HA ALA 53 - HD3 LYS 73 OK 11 78 - 14 - 2295/2.9=2, 3.0/4964=2...(6) HA ALA 53 - HD2 LYS 73 OK 11 78 - 14 - 2295/2.9=2, 3.0/4964=2...(6) HA LEU 29 - HD3 LYS 73 poor 8 71 - 11 - 786/6.1=1, 2962/2.9=1 HA LEU 29 - HD2 LYS 73 poor 8 71 - 11 - 786/6.1=1, 2962/2.9=1 HA ARG 82 - HD3 LYS 32 lone 7 98 - 8 - HA ARG 82 - HD2 LYS 32 lone 7 98 - 7 - HA ALA 53 - HD3 LYS 32 lone 6 78 - 8 - 3.0/4964=2, ~202=1, ~4964=1 HA ARG 82 - HD2 LYS 39 poor 6 61 - 10 - 3.6/5896=1, 5885/3.0=1, ~5478=1 HA ALA 53 - HD2 LYS 32 lone 6 78 - 8 - 3.0/4964=2, ~202=1, ~4964=1 HA ARG 82 - HD3 LYS 39 poor 6 59 - 10 - 3.6/5896=1, 5885/3.0=1, ~5478=1 HA ALA 53 - HD2 LYS 39 poor 6 44 - 13 - 2295/3.0=2, 5702/6.2=2...(6) HA ALA 53 - HD3 LYS 39 poor 5 42 - 13 - 2295/3.0=2, 5702/6.2=2...(6) HA ALA 78 - HD3 LYS 73 lone 5 81 - 7 - HA ALA 78 - HD2 LYS 73 lone 5 81 - 7 - HA GLN 79 - HD2 LYS 73 lone 5 96 - 5 - 5446/2.9=1 HA GLN 79 - HD3 LYS 73 lone 5 96 - 5 - 5446/2.9=1 HA LEU 29 - HG2 ARG 71 lone 5 66 - 7 - 4008/5.0=1 HA ARG 82 - HG2 ARG 71 lone 4 94 - 5 - HA ARG 84 - HD2 LYS 39 lone 4 65 - 6 - HA ARG 84 - HD3 LYS 39 lone 4 63 - 6 - HA ILE 89 - HG2 ARG 71 lone 3 86 - 3 - HA LEU 29 - HD2 LYS 39 lone 3 39 - 7 - HA ILE 89 - HD3 LYS 32 lone 3 90 - 3 - HA LEU 29 - HD3 LYS 39 lone 3 37 - 7 - HA ILE 89 - HD2 LYS 32 lone 3 90 - 3 - HA ILE 89 - HD2 LYS 39 lone 2 53 - 4 - HA ILE 89 - HD3 LYS 39 lone 2 51 - 4 - HB THR 15 - HD2 LYS 73 lone 2 87 - 2 - HB THR 15 - HD3 LYS 73 lone 2 87 - 2 - HA GLN 79 - HD2 LYS 32 lone 2 96 - 2 - HA GLN 79 - HD3 LYS 32 lone 2 95 - 2 - HA GLN 79 - HG2 ARG 71 lone 1 91 - 1 - HA ALA 78 - HD3 LYS 32 lone 1 80 - 2 - HA ALA 78 - HD2 LYS 32 lone 1 81 - 2 - HA GLN 79 - HD2 LYS 39 lone 1 58 - 2 - HA ALA 78 - HD2 LYS 39 lone 1 46 - 3 - HA GLN 79 - HD3 LYS 39 lone 1 56 - 2 - HA ALA 78 - HD3 LYS 39 lone 1 44 - 3 - HB THR 15 - HD3 LYS 32 lone 1 87 - 1 - HB THR 15 - HD2 LYS 32 lone 1 87 - 1 - HA ALA 53 - HG2 ARG 71 lone 1 73 - 1 - HB THR 15 - HD2 LYS 39 lone 1 50 - 2 - HB THR 15 - HD3 LYS 39 lone 1 48 - 2 - HB THR 15 - HG2 ARG 71 lone 1 82 - 1 - HA ALA 78 - HG2 ARG 71 lone 1 76 - 1 - Peak 3010 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 4 out of 63 assignments used, quality = 0.93: * HB2 LYS 73 + HD2 LYS 73 OK 66 100 - 66 - 3.5=56, 787/6.1=2...(9) HB2 LYS 73 + HD3 LYS 73 OK 66 100 - 66 - 3.5=56, 787/6.1=2...(9) HB2 LYS 73 + HD3 LYS 32 OK 25 100 - 26 - 2.9/2995=1, 2975=1, 2974/1.8=1 HB2 LYS 73 + HD2 LYS 32 OK 25 100 - 25 - 2.9/2995=1, 2974=1, 2974/1.8=1 HB2 LYS 75 - HD3 LYS 73 OK 20 83 - 25 - 2972/2.9=2 HB2 LYS 75 - HD2 LYS 73 OK 20 83 - 25 - 2972/2.9=2 HB2 ARG 17 - HG2 ARG 71 OK 19 84 - 23 - 1157/1.8=2, 1.8/1167=2...(5) HB2 LYS 85 - HD2 LYS 73 OK 15 83 - 18 - 2972/2.9=1 HB2 LYS 85 - HD3 LYS 73 OK 15 83 - 18 - 2972/2.9=1 HB ILE 89 - HD3 LYS 73 OK 13 100 - 13 - 3605/5.2=2, 2990/2.9=2...(4) HB ILE 89 - HD2 LYS 73 OK 13 100 - 13 - 3605/5.2=2, 2990/2.9=2...(4) HB2 LYS 75 - HD2 LYS 39 OK 12 47 - 25 - ~1865=1, ~1863=1...(6) HB2 LYS 75 - HD3 LYS 39 OK 11 45 - 25 - ~1865=1, ~1863=1...(6) HB3 ARG 84 - HD2 LYS 73 poor 10 83 - 12 - HB3 ARG 84 - HD3 LYS 73 poor 10 83 - 12 - HB2 LYS 73 - HD2 LYS 39 poor 9 65 - 13 - HB2 LYS 73 - HD3 LYS 39 poor 8 63 - 13 - HB2 ARG 69 - HD2 LYS 73 lone 8 83 - 10 - 2797/2.9=1 HB2 ARG 69 - HD3 LYS 73 lone 8 83 - 10 - 2797/2.9=1 HB2 LYS 75 - HD3 LYS 32 lone 8 83 - 9 - HB2 LYS 75 - HD2 LYS 32 lone 8 83 - 9 - HB2 LYS 73 - HG2 ARG 71 lone 6 98 - 6 - 2968/5.0=1 HB3 ARG 84 - HG2 ARG 71 lone 6 78 - 7 - HB2 ARG 23 - HG2 ARG 71 lone 5 69 - 7 - HB3 ARG 23 - HG2 ARG 71 lone 5 66 - 7 - HB3 ARG 84 - HD2 LYS 32 lone 5 83 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 5 83 - 5 - HB2 ARG 69 - HD3 LYS 32 lone 4 83 - 5 - HB2 ARG 17 - HD2 LYS 73 lone 4 89 - 4 - HB2 ARG 17 - HD3 LYS 73 lone 4 89 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 4 83 - 5 - HB2 ARG 17 - HD3 LYS 32 lone 3 88 - 4 - HB2 ARG 17 - HD2 LYS 32 lone 3 89 - 4 - HB2 LYS 85 - HD3 LYS 32 lone 3 83 - 4 - HB2 LYS 85 - HD2 LYS 32 lone 3 83 - 4 - HB2 ARG 69 - HG2 ARG 71 lone 3 78 - 4 - 2792/5.0=2 HB2 LYS 75 - HG2 ARG 71 lone 3 78 - 4 - HB2 ARG 23 - HD2 LYS 39 lone 3 41 - 6 - HB3 ARG 23 - HD2 LYS 39 lone 2 39 - 6 - HB2 ARG 23 - HD3 LYS 39 lone 2 39 - 6 - HB3 ARG 23 - HD3 LYS 39 lone 2 37 - 6 - HB ILE 89 - HD2 LYS 39 lone 2 65 - 3 - HB ILE 89 - HG2 ARG 71 lone 2 98 - 2 - HB ILE 89 - HD3 LYS 39 lone 2 63 - 3 - HB2 LYS 85 - HD2 LYS 39 lone 2 47 - 4 - HB2 LYS 85 - HG2 ARG 71 lone 2 78 - 2 - HB2 LYS 85 - HD3 LYS 39 lone 2 45 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 2 47 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 2 45 - 4 - HB ILE 89 - HD3 LYS 32 lone 1 100 - 1 - HB ILE 89 - HD2 LYS 32 lone 1 100 - 1 - HB3 ARG 84 - HD2 LYS 39 lone 1 47 - 3 - HB3 ARG 84 - HD3 LYS 39 lone 1 45 - 3 - HB2 ARG 23 - HD2 LYS 73 lone 1 73 - 1 - HB2 ARG 23 - HD3 LYS 73 lone 1 73 - 1 - HB3 ARG 23 - HD2 LYS 73 lone 1 71 - 1 - HB3 ARG 23 - HD3 LYS 73 lone 1 71 - 1 - HB2 ARG 17 - HD2 LYS 39 lone 1 52 - 2 - HB2 ARG 17 - HD3 LYS 39 lone 1 50 - 2 - HB2 ARG 23 - HD3 LYS 32 lone 1 73 - 1 - HB2 ARG 23 - HD2 LYS 32 lone 1 73 - 1 - HB3 ARG 23 - HD3 LYS 32 lone 1 71 - 1 - HB3 ARG 23 - HD2 LYS 32 lone 1 71 - 1 - Peak 3011 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 8 out of 126 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB2 LYS 32 + HD3 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB3 LYS 32 + HD3 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HG3 ARG 71 + HG2 ARG 71 OK 64 64 - 100 - 1.8=100 HB3 LYS 73 + HD3 LYS 73 OK 59 100 - 59 - 3.5=50, 4.0/792=2...(6) * HB3 LYS 73 + HD2 LYS 73 OK 59 100 - 59 - 3.5=50, 4.0/792=2...(6) HB3 LYS 39 + HD2 LYS 39 OK 45 64 - 70 - 3.5=51, 2.9/1868=4...(16) HB3 LYS 39 - HD3 LYS 39 OK 43 62 - 70 - 3.5=51, 2.9/1868=4...(16) HB2 LYS 32 - HD2 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1571=2...(6) HB2 LYS 32 - HD3 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 32 - HD3 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 32 - HD2 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 75 - HD2 LYS 73 OK 22 97 - 23 - 2982/2.9=1 HB3 LYS 75 - HD3 LYS 73 OK 22 97 - 23 - 2982/2.9=1 HB3 LYS 73 - HD3 LYS 32 OK 21 100 - 22 - 2.9/2994=1, 1596/3.0=1...(4) HB3 LYS 73 - HD2 LYS 32 OK 21 100 - 22 - 2.9/2994=1, 1597/3.0=1...(4) HG3 ARG 26 - HG2 ARG 71 OK 18 56 - 32 - 1394=4, ~2932=2...(8) HB3 LYS 39 - HD2 LYS 73 OK 17 100 - 17 - HB3 LYS 39 - HD3 LYS 73 OK 17 100 - 17 - HB3 LYS 75 - HD2 LYS 39 OK 17 61 - 29 - 1865/3.0=2, ~1864=2...(9) HB3 LYS 75 - HD3 LYS 39 OK 16 58 - 29 - 1865/3.0=2, ~1864=2...(9) HB2 ARG 54 - HD3 LYS 32 OK 15 95 - 16 - 1597/3.0=2, 1587/3.0=1, ~2319=1 HB2 ARG 54 - HD2 LYS 32 OK 15 96 - 15 - 1597/3.0=2, 1587/3.0=1, ~2319=1 HB2 PRO 34 - HG2 ARG 71 OK 14 98 - 14 - 1709/2.8=1 HG2 PRO 34 - HD3 LYS 32 OK 13 87 - 15 - 1596/3.0=1, 1587/3.0=1 HB2 PRO 34 - HD3 LYS 32 OK 13 100 - 13 - HG2 PRO 34 - HD2 LYS 32 OK 13 87 - 15 - 1597/3.0=1, 1587/3.0=1 HB2 PRO 34 - HD2 LYS 32 OK 12 100 - 13 - HB2 ARG 54 - HD2 LYS 39 OK 12 58 - 21 - 2310/3.0=2, 2312/1.8=2...(8) HB3 LYS 39 - HD3 LYS 32 OK 12 100 - 12 - HB2 ARG 54 - HD3 LYS 39 OK 12 56 - 22 - 2310/3.0=2, 2312/1.8=2...(8) HG2 PRO 34 - HG2 ARG 71 OK 11 82 - 14 - 1723/2.8=1, 1723/2.8=1 HB3 LYS 39 - HD2 LYS 32 OK 11 100 - 11 - HB2 LYS 85 - HD3 LYS 73 poor 10 71 - 14 - HB2 LYS 85 - HD2 LYS 73 poor 10 71 - 14 - HB2 LYS 13 - HD2 LYS 73 lone 9 96 - 10 - HB2 LYS 13 - HD3 LYS 73 lone 9 96 - 10 - HB3 LYS 32 - HG2 ARG 71 lone 9 97 - 9 - HB2 LYS 32 - HG2 ARG 71 lone 9 97 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 9 97 - 9 - HG3 ARG 71 - HD2 LYS 32 poor 9 68 - 13 - 2932=1 HG3 ARG 71 - HD3 LYS 32 poor 9 68 - 13 - 2932=1 HB3 LYS 75 - HD2 LYS 32 lone 8 97 - 8 - HB3 LYS 73 - HD2 LYS 39 poor 8 65 - 12 - HB3 LYS 32 - HD3 LYS 39 poor 8 62 - 13 - HB2 LYS 32 - HD3 LYS 39 poor 8 62 - 13 - HB ILE 33 - HD2 LYS 32 lone 8 98 - 8 - 4219/3.0=2, 1586/3.0=1 HB ILE 33 - HD3 LYS 32 lone 8 98 - 8 - 4219/3.0=2, 1586/3.0=1 HB3 LYS 73 - HD3 LYS 39 poor 8 63 - 12 - HB3 LYS 32 - HD2 LYS 39 poor 8 65 - 12 - HB2 LYS 32 - HD2 LYS 39 poor 8 65 - 12 - HB3 ARG 84 - HD2 LYS 73 poor 7 71 - 10 - HB3 ARG 84 - HD3 LYS 73 poor 7 71 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 7 97 - 7 - 2438/2.9=1 HB2 LEU 57 - HD2 LYS 73 lone 7 97 - 7 - 2438/2.9=1 HB2 PRO 34 - HD2 LYS 39 lone 6 65 - 10 - 1865/3.0=1 HB2 PRO 34 - HD3 LYS 39 lone 6 63 - 10 - 1865/3.0=1 HB3 LYS 73 - HG2 ARG 71 lone 6 98 - 6 - 5841/5.0=1 HB2 LEU 57 - HD2 LYS 32 lone 6 97 - 6 - HB2 LEU 57 - HD3 LYS 32 lone 6 96 - 6 - HB2 ARG 69 - HD2 LYS 73 lone 6 71 - 8 - HB2 ARG 69 - HD3 LYS 73 lone 6 71 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 68 - 8 - HG3 ARG 71 - HD3 LYS 73 lone 6 68 - 8 - HB2 LYS 83 - HD3 LYS 73 lone 6 100 - 6 - HB2 LYS 83 - HD2 LYS 73 lone 6 100 - 6 - HG2 PRO 34 - HD2 LYS 39 poor 5 50 - 10 - 1723/3.5=1 HG2 PRO 34 - HD3 LYS 39 poor 5 48 - 10 - 1723/3.5=1 HB2 LYS 13 - HD2 LYS 39 lone 5 58 - 8 - HB2 LYS 13 - HD3 LYS 39 lone 5 56 - 8 - HB3 ARG 82 - HD2 LYS 73 lone 4 96 - 5 - HB3 ARG 82 - HD3 LYS 73 lone 4 96 - 5 - HB3 ARG 84 - HG2 ARG 71 lone 4 66 - 7 - HB3 LYS 75 - HG2 ARG 71 lone 4 94 - 4 - HB3 ARG 84 - HD2 LYS 32 lone 4 71 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 4 71 - 5 - HB2 LYS 13 - HD3 LYS 32 lone 4 95 - 4 - HB2 LYS 13 - HD2 LYS 32 lone 4 96 - 4 - HB2 ARG 69 - HD3 LYS 32 lone 3 71 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 3 71 - 4 - HB2 ARG 54 - HD3 LYS 73 lone 3 96 - 3 - HB2 ARG 54 - HD2 LYS 73 lone 3 96 - 3 - HB2 LEU 57 - HD2 LYS 39 lone 3 60 - 5 - HB3 ARG 82 - HD3 LYS 32 lone 3 95 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 96 - 3 - HB2 LEU 57 - HD3 LYS 39 lone 3 57 - 5 - HB3 LYS 39 - HG2 ARG 71 lone 3 97 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 3 87 - 3 - HG2 PRO 34 - HD3 LYS 73 lone 3 87 - 3 - HG3 ARG 26 - HD3 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HD2 LYS 32 lone 2 60 - 4 - HB3 ARG 82 - HD2 LYS 39 lone 2 58 - 4 - HB3 ARG 82 - HG2 ARG 71 lone 2 91 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 65 - 4 - HB3 ARG 82 - HD3 LYS 39 lone 2 56 - 4 - HB2 PRO 34 - HD2 LYS 73 lone 2 100 - 2 - HB2 PRO 34 - HD3 LYS 73 lone 2 100 - 2 - HB2 LYS 83 - HD3 LYS 39 lone 2 62 - 4 - HB2 ARG 69 - HG2 ARG 71 lone 2 66 - 3 - 2792/5.0=1 HB2 LYS 85 - HD3 LYS 32 lone 2 71 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 71 - 3 - HB2 LYS 85 - HD2 LYS 39 lone 2 39 - 4 - HB2 LYS 83 - HD3 LYS 32 lone 2 100 - 2 - HB2 LYS 83 - HD2 LYS 32 lone 2 100 - 2 - HB2 LYS 85 - HD3 LYS 39 lone 2 37 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 2 39 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 2 37 - 4 - HB2 LEU 57 - HG2 ARG 71 lone 1 93 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 91 - 1 - HB2 LYS 85 - HG2 ARG 71 lone 1 66 - 2 - HB ILE 33 - HD3 LYS 73 lone 1 98 - 1 - HB ILE 33 - HD2 LYS 73 lone 1 98 - 1 - HB3 ARG 84 - HD2 LYS 39 lone 1 39 - 3 - HG3 ARG 26 - HD3 LYS 73 lone 1 60 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 60 - 2 - HB3 ARG 84 - HD3 LYS 39 lone 1 37 - 3 - HB2 LYS 83 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HG2 ARG 71 lone 1 94 - 1 - HB ILE 33 - HD2 LYS 39 lone 1 61 - 2 - HB ILE 33 - HD3 LYS 39 lone 1 59 - 2 - HB2 LYS 13 - HG2 ARG 71 lone 1 91 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 1 37 - 1 - HG3 ARG 71 - HD3 LYS 39 lone 0 36 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 32 - 1 - HG3 ARG 26 - HD3 LYS 39 lone 0 31 - 1 - Peak 3012 from cnoeabs.peaks (1.48, 1.61, 28.78 ppm; 3.02 A): 2 out of 42 assignments used, quality = 1.00: HG2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 2.9=100 * HG2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 - HD3 LYS 32 OK 32 100 - 32 - 2995=3, 2994/1.8=2...(4) HG2 LYS 73 - HD2 LYS 32 OK 31 100 - 32 - 2995=3, 2994/1.8=2...(4) HG3 LYS 85 - HD2 LYS 73 OK 15 71 - 22 - 2995=2, 2972/3.5=1, 2994/1.8=1 HG3 LYS 85 - HD3 LYS 73 OK 15 71 - 22 - 2994=2, 2972/3.5=1, 2994/1.8=1 HG3 LYS 13 - HD3 LYS 73 OK 12 78 - 16 - 2994=1, 2972/3.5=1 HG3 LYS 13 - HD2 LYS 73 OK 12 78 - 16 - 2995=1, 2972/3.5=1 HG2 LYS 73 - HD2 LYS 39 OK 11 65 - 17 - 2995=1 HG2 LYS 73 - HD3 LYS 39 OK 11 63 - 17 - 2995=1 HB3 LEU 52 - HD2 LYS 32 OK 10 100 - 10 - 2267/3.0=2 HB3 LEU 52 - HD3 LYS 32 OK 10 100 - 10 - 2267/3.0=2 HB3 LEU 57 - HD2 LYS 73 poor 10 97 - 10 - HB3 LEU 57 - HD3 LYS 73 poor 10 97 - 10 - QB ALA 63 - HG2 ARG 71 lone 9 95 - 10 - 2610/3.8=1, ~2929=1, 2.1/2921=1 HG2 LYS 73 - HG2 ARG 71 lone 8 98 - 8 - 2988/5.0=1 HB3 LEU 57 - HD3 LYS 32 lone 8 97 - 8 - HB3 LEU 57 - HD2 LYS 32 lone 8 97 - 8 - HB3 LEU 52 - HD3 LYS 73 lone 8 100 - 8 - HB3 LEU 52 - HD2 LYS 73 lone 8 100 - 8 - QB ALA 63 - HD3 LYS 73 lone 7 99 - 7 - QB ALA 63 - HD2 LYS 73 lone 7 99 - 7 - HG3 LYS 13 - HD2 LYS 39 poor 5 44 - 12 - HG3 LYS 13 - HD3 LYS 39 poor 5 42 - 12 - HG3 LYS 13 - HD3 LYS 32 lone 4 78 - 6 - HG3 LYS 13 - HD2 LYS 32 lone 4 78 - 5 - HB3 LEU 57 - HD2 LYS 39 lone 4 61 - 6 - HG3 LYS 85 - HD3 LYS 32 lone 3 71 - 5 - HG3 LYS 85 - HD2 LYS 32 lone 3 71 - 5 - HB3 LEU 57 - HD3 LYS 39 lone 3 58 - 6 - HB3 LEU 52 - HD2 LYS 39 lone 2 64 - 4 - HB3 LEU 52 - HD3 LYS 39 lone 2 62 - 4 - QB ALA 63 - HD2 LYS 32 lone 2 99 - 2 - QB ALA 63 - HD3 LYS 32 lone 2 99 - 2 - HG3 LYS 85 - HD2 LYS 39 lone 2 39 - 5 - HG3 LYS 85 - HD3 LYS 39 lone 2 37 - 5 - QB ALA 63 - HD2 LYS 39 lone 2 62 - 3 - QB ALA 63 - HD3 LYS 39 lone 2 60 - 3 - HG3 LYS 85 - HG2 ARG 71 lone 2 66 - 2 - HB3 LEU 57 - HG2 ARG 71 lone 1 94 - 2 - HB3 LEU 52 - HG2 ARG 71 lone 1 97 - 1 - HG3 LYS 13 - HG2 ARG 71 lone 1 73 - 1 - Peak 3013 from cnoeabs.peaks (1.39, 1.61, 28.78 ppm; 3.25 A): 4 out of 91 assignments used, quality = 1.00: HG3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 2.9=100 * HG3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 39 + HD2 LYS 39 OK 52 52 - 100 - 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 - 100 - 3.0=100 HG2 LYS 75 - HD3 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG2 LYS 75 - HD2 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG3 LYS 75 - HD3 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG3 LYS 75 - HD2 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3004=2...(6) HG3 LYS 73 - HD3 LYS 32 OK 36 100 - 37 - 1.8/2994=2, 3004=2...(8) HG3 LYS 73 - HD2 LYS 32 OK 36 100 - 36 - 1.8/2995=2, 3005=2...(8) HG2 LYS 75 - HD2 LYS 39 OK 28 65 - 44 - 1867/3.0=3, ~1867=2...(11) HG3 LYS 75 - HD2 LYS 39 OK 28 65 - 44 - 1867/3.0=3, ~1867=2...(11) HG3 LYS 75 - HD3 LYS 39 OK 28 63 - 45 - 1867/3.0=3, ~1867=2...(12) HG2 LYS 75 - HD3 LYS 39 OK 28 63 - 45 - 1867/3.0=3, ~1867=2...(12) HG2 LYS 85 - HD2 LYS 73 OK 24 97 - 25 - 3005=1, 3002/2.9=1...(4) HG2 LYS 85 - HD3 LYS 73 OK 24 97 - 25 - 3005=1, 3002/2.9=1...(4) HG3 LYS 39 - HD3 LYS 73 OK 24 89 - 27 - 1878/1.8=1, 1878=1...(4) HG3 LYS 39 - HD2 LYS 73 OK 24 89 - 27 - 1878/1.8=1, 1878=1...(4) HG2 LYS 75 - HD3 LYS 32 OK 19 100 - 19 - HG3 LYS 75 - HD3 LYS 32 OK 19 100 - 19 - HG3 LYS 39 - HD3 LYS 32 OK 19 88 - 21 - HG3 LYS 75 - HD2 LYS 32 OK 18 100 - 18 - HG2 LYS 75 - HD2 LYS 32 OK 18 100 - 18 - HB3 ARG 69 - HD2 LYS 73 OK 18 99 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HB3 ARG 69 - HD3 LYS 73 OK 18 99 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HG3 LYS 39 - HD2 LYS 32 OK 18 89 - 20 - HG3 ARG 69 - HD2 LYS 73 OK 14 97 - 15 - 2818/3.5=2, 2818/3.5=1 HG3 ARG 69 - HD3 LYS 73 OK 14 97 - 15 - 2818/3.5=2, 2818/3.5=1 HG3 LYS 73 - HD2 LYS 39 OK 13 65 - 20 - 1867/3.0=1 HG3 LYS 73 - HD3 LYS 39 OK 13 63 - 20 - 1867/3.0=1 HG3 LYS 73 - HG2 ARG 71 lone 9 98 - 10 - 5839/5.0=1 QB ALA 53 - HD3 LYS 73 lone 9 100 - 9 - 2.9/4964=1, ~203=1 QB ALA 53 - HD2 LYS 73 lone 9 100 - 9 - 2.9/4964=1, ~203=1 HB3 ARG 69 - HD3 LYS 32 lone 8 99 - 8 - 4.3/771=1, 4766/5.1=1 HB3 ARG 69 - HD2 LYS 32 lone 8 99 - 8 - 4.3/771=1, 4766/5.1=1 HG3 ARG 69 - HD3 LYS 32 lone 6 96 - 7 - HG3 ARG 69 - HD2 LYS 32 lone 6 97 - 7 - HG2 LYS 85 - HD3 LYS 32 lone 6 97 - 6 - HG2 LYS 85 - HD2 LYS 32 lone 6 97 - 6 - HG2 LYS 75 - HG2 ARG 71 lone 5 98 - 6 - HG3 LYS 75 - HG2 ARG 71 lone 5 98 - 6 - HG2 LYS 83 - HD3 LYS 73 lone 5 85 - 6 - HG2 LYS 83 - HD2 LYS 73 lone 5 85 - 6 - QB ALA 53 - HD2 LYS 32 lone 5 100 - 5 - 2.9/4964=1 QB ALA 53 - HD3 LYS 32 lone 5 100 - 5 - 2.9/4964=1 QB ALA 53 - HD2 LYS 39 lone 5 64 - 8 - 2.9/4964=1, ~2295=1 HB3 ARG 69 - HG2 ARG 71 lone 5 96 - 6 - 2800/5.0=2, 4.3/771=1 HB3 ARG 69 - HD2 LYS 39 lone 5 63 - 8 - 2802/3.5=1 QB ALA 53 - HD3 LYS 39 lone 5 62 - 8 - 2.9/4964=1, ~2295=1 HB3 ARG 69 - HD3 LYS 39 lone 5 60 - 8 - 2802/3.5=1 QB ALA 78 - HD3 LYS 73 lone 4 100 - 4 - QB ALA 78 - HD2 LYS 73 lone 4 100 - 4 - HG2 LYS 85 - HD2 LYS 39 lone 4 61 - 6 - HG3 ARG 69 - HD2 LYS 39 lone 4 60 - 6 - HG3 ARG 69 - HG2 ARG 71 lone 4 93 - 4 - 2816/5.0=2 HG2 LYS 85 - HD3 LYS 39 lone 4 58 - 6 - HG3 LYS 39 - HG2 ARG 71 lone 4 84 - 4 - HG3 ARG 69 - HD3 LYS 39 lone 4 57 - 6 - HG2 LYS 85 - HG2 ARG 71 lone 3 94 - 3 - QB ALA 77 - HD3 LYS 73 lone 3 96 - 3 - QB ALA 77 - HD2 LYS 73 lone 3 96 - 3 - QB ALA 16 - HG2 ARG 71 lone 2 58 - 3 - 3.6/487=1, 5.0/1150=1 HG2 LYS 83 - HD3 LYS 32 lone 2 85 - 2 - HG2 LYS 83 - HD2 LYS 32 lone 2 85 - 2 - HG2 LYS 83 - HD2 LYS 39 lone 2 49 - 3 - HG2 LYS 83 - HD3 LYS 39 lone 2 47 - 3 - QB ALA 20 - HD2 LYS 73 lone 2 97 - 2 - QB ALA 20 - HD3 LYS 73 lone 2 97 - 2 - QB ALA 20 - HG2 ARG 71 lone 1 94 - 1 - QB ALA 20 - HD2 LYS 39 lone 1 61 - 2 - QB ALA 20 - HD3 LYS 32 lone 1 97 - 1 - QB ALA 20 - HD2 LYS 32 lone 1 97 - 1 - QB ALA 20 - HD3 LYS 39 lone 1 58 - 2 - QB ALA 53 - HG2 ARG 71 lone 1 97 - 1 - QB ALA 78 - HD3 LYS 32 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 32 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 39 lone 1 65 - 1 - HG2 LYS 83 - HG2 ARG 71 lone 1 80 - 1 - QB ALA 78 - HD3 LYS 39 lone 1 63 - 1 - QB ALA 77 - HD2 LYS 39 lone 1 58 - 2 - QB ALA 77 - HG2 ARG 71 lone 1 91 - 1 - QB ALA 77 - HD3 LYS 39 lone 1 56 - 2 - QB ALA 77 - HD3 LYS 32 lone 1 95 - 1 - QB ALA 77 - HD2 LYS 32 lone 1 96 - 1 - QB ALA 16 - HD2 LYS 73 lone 1 63 - 1 - QB ALA 16 - HD3 LYS 73 lone 1 63 - 1 - QB ALA 78 - HG2 ARG 71 lone 1 98 - 1 - QB ALA 16 - HD3 LYS 32 lone 1 63 - 1 - QB ALA 16 - HD2 LYS 32 lone 1 63 - 1 - QB ALA 16 - HD2 LYS 39 lone 0 34 - 1 - QB ALA 16 - HD3 LYS 39 lone 0 32 - 1 - Peak 3014 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: * HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 94 94 - 100 HD2 LYS 39 - HD2 LYS 39 OK 36 36 - 100 HD3 LYS 39 - HD3 LYS 39 OK 32 32 - 100 Peak 3015 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 94 94 - 100 HD2 LYS 39 - HD2 LYS 39 OK 36 36 - 100 HD3 LYS 39 - HD3 LYS 39 OK 32 32 - 100 Reference assignment not found: HD3 LYS 73 - HD2 LYS 73 Peak 3016 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 8 out of 84 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 * HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 41 41 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 39 39 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 36 36 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 22 99 - 22 - 6146/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 22 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 13 63 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD2 LYS 39 OK 12 62 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 75 - HD3 LYS 39 OK 12 60 - 21 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD3 LYS 39 OK 12 60 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 13 - HD2 LYS 73 OK 12 95 - 12 - HE3 LYS 13 - HD3 LYS 73 OK 12 95 - 12 - HE2 LYS 13 - HD3 LYS 73 OK 12 93 - 12 - HE2 LYS 13 - HD2 LYS 73 OK 12 93 - 12 - HE3 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE3 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HE2 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HB3 TYR 55 - HD2 LYS 32 lone 7 93 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 7 93 - 8 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 10 - HE3 LYS 13 - HD2 LYS 39 poor 7 57 - 11 - HE2 LYS 73 - HD2 LYS 39 lone 7 65 - 10 - HE2 LYS 39 - HD3 LYS 32 lone 7 73 - 9 - HE2 LYS 39 - HD2 LYS 32 lone 6 73 - 9 - HE2 LYS 13 - HD2 LYS 39 poor 6 56 - 11 - HE2 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE3 LYS 13 - HD3 LYS 39 poor 6 55 - 12 - HE2 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE2 LYS 13 - HD3 LYS 39 poor 6 54 - 12 - HE3 LYS 39 - HD3 LYS 32 lone 6 68 - 9 - HE3 LYS 39 - HD2 LYS 32 lone 6 68 - 9 - HE3 LYS 13 - HD3 LYS 32 lone 6 94 - 6 - HE2 LYS 13 - HD3 LYS 32 lone 6 93 - 6 - HE3 LYS 13 - HD2 LYS 32 lone 6 95 - 6 - HE2 LYS 13 - HD2 LYS 32 lone 6 93 - 6 - HE2 LYS 39 - HD3 LYS 73 lone 6 73 - 8 - HE2 LYS 39 - HD2 LYS 73 lone 6 73 - 8 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 5 68 - 8 - HE3 LYS 39 - HD2 LYS 73 lone 5 68 - 8 - HE3 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HE2 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HB3 TYR 55 - HD2 LYS 39 lone 2 56 - 4 - ~4634=2 HB3 TYR 55 - HD3 LYS 39 lone 2 54 - 4 - ~4634=2 HB3 TYR 55 - HD2 LYS 73 lone 2 93 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 93 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 96 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 95 - 2 - HB3 TYR 81 - HD2 LYS 73 lone 2 68 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 68 - 2 - HB3 TYR 81 - HD2 LYS 39 lone 1 37 - 3 - ~4684=1 HB3 TYR 81 - HD3 LYS 39 lone 1 36 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 68 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 68 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 69 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 64 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 90 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 64 - 1 - Peak 3017 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 8 out of 84 assignments used, quality = 1.00: HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 * HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 39 39 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 36 36 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 34 34 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 21 98 - 22 - 6146/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 21 98 - 22 - 6146/2.9=1 HE2 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 12 62 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD2 LYS 39 OK 12 61 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 75 - HD3 LYS 39 OK 12 60 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD3 LYS 39 OK 12 59 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 13 - HD2 LYS 73 OK 12 93 - 12 - HE3 LYS 13 - HD3 LYS 73 OK 12 93 - 12 - HE3 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD3 LYS 32 OK 11 98 - 12 - HE2 LYS 13 - HD2 LYS 73 OK 11 92 - 12 - HE2 LYS 13 - HD3 LYS 73 OK 11 92 - 12 - HE3 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HE2 LYS 75 - HD2 LYS 32 OK 11 98 - 11 - HB3 TYR 55 - HD2 LYS 32 lone 7 95 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 7 94 - 8 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 10 - HE2 LYS 73 - HD2 LYS 39 lone 6 65 - 10 - HE2 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 13 - HD2 LYS 39 poor 6 56 - 11 - HE3 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE2 LYS 39 - HD3 LYS 32 lone 6 71 - 9 - HE2 LYS 73 - HD3 LYS 39 lone 6 63 - 10 - HE2 LYS 39 - HD2 LYS 32 lone 6 71 - 9 - HE2 LYS 13 - HD2 LYS 39 poor 6 55 - 11 - HE3 LYS 13 - HD3 LYS 39 poor 6 54 - 11 - HE2 LYS 13 - HD3 LYS 39 poor 6 52 - 11 - HE3 LYS 13 - HD3 LYS 32 lone 6 93 - 6 - HE3 LYS 39 - HD3 LYS 32 lone 6 65 - 9 - HE2 LYS 13 - HD3 LYS 32 lone 6 92 - 6 - HE3 LYS 13 - HD2 LYS 32 lone 6 93 - 6 - HE3 LYS 39 - HD2 LYS 32 lone 6 65 - 9 - HE2 LYS 13 - HD2 LYS 32 lone 6 92 - 6 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 39 - HD2 LYS 73 lone 6 71 - 8 - HE2 LYS 39 - HD3 LYS 73 lone 6 71 - 8 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 32 - HD3 LYS 39 lone 5 63 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 5 65 - 8 - HE3 LYS 39 - HD2 LYS 73 lone 5 65 - 8 - HE3 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HE2 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HB3 TYR 55 - HD2 LYS 39 lone 2 57 - 4 - ~4634=2 HB3 TYR 55 - HD3 LYS 39 lone 2 55 - 4 - ~4634=2 HB3 TYR 55 - HD2 LYS 73 lone 2 95 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 95 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 95 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 94 - 2 - HB3 TYR 81 - HD2 LYS 73 lone 2 65 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 65 - 2 - HB3 TYR 81 - HD2 LYS 39 lone 1 36 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 90 - 1 - HB3 TYR 81 - HD3 LYS 39 lone 1 34 - 3 - ~4684=1 HB3 TYR 81 - HD2 LYS 32 lone 1 65 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 65 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 66 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 61 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 89 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 87 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 61 - 1 - Peak 3018 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 4.50 A): 3 out of 35 assignments used, quality = 0.99: H GLY 72 + HG2 ARG 71 OK 84 96 - 87 - 5.0=74, 5397/5.0=16...(10) H LYS 73 + HD2 LYS 73 OK 80 100 - 80 - 6.1=40, 789/2.9=21...(17) * H LYS 73 + HD3 LYS 73 OK 80 100 - 80 - 6.1=40, 789/2.9=21...(17) H GLY 72 - HD3 LYS 73 OK 36 99 - 37 - 2988/2.9=5, 4.5/791=5...(11) H GLY 72 - HD2 LYS 73 OK 36 99 - 37 - 2988/2.9=5, 4.5/791=5...(11) H LYS 73 - HD3 LYS 32 OK 35 100 - 35 - 5987/5.1=5, 791=4...(14) H LYS 73 - HD2 LYS 32 OK 35 100 - 35 - 5987/5.1=5, 791=4...(16) H LYS 73 - HG2 ARG 71 OK 25 98 - 25 - 4.5/5840=6, 942/5.0=5...(8) H ARG 69 - HD3 LYS 73 OK 22 93 - 24 - 2968/3.5=4, 2988/2.9=3...(9) H ARG 69 - HD2 LYS 73 OK 22 93 - 24 - 2968/3.5=4, 2988/2.9=3...(9) H GLY 72 - HD3 LYS 32 OK 21 99 - 21 - 5840=3, 5840/1.8=2...(9) H ARG 69 - HG2 ARG 71 OK 21 89 - 24 - 5825/5.0=10, 3.6/5045=4...(7) H GLY 72 - HD2 LYS 32 OK 21 99 - 21 - 5840=2, 5840/1.8=2...(9) H ALA 63 - HG2 ARG 71 OK 18 80 - 23 - 256/1.8=4, 725/3.8=3...(7) H ALA 30 - HG2 ARG 71 OK 16 89 - 17 - 5387/3.8=5, 942/5.0=2...(4) H ALA 30 - HD3 LYS 32 OK 14 93 - 15 - 5535/3.0=4, 79/6.1=3, 4841/5.1=3 H ALA 30 - HD2 LYS 32 OK 14 93 - 15 - 5535/3.0=4, 79/6.1=3, 4841/5.1=3 H ALA 63 - HD3 LYS 73 OK 12 85 - 14 - 726/2.9=2 H ALA 63 - HD2 LYS 73 OK 12 85 - 14 - 726/2.9=2 H ARG 69 - HD3 LYS 32 OK 12 93 - 12 - 4.6/771=2, 5379/5.1=2...(5) H ARG 69 - HD2 LYS 32 OK 12 93 - 12 - 4.6/771=2, 5379/5.1=2...(5) H LYS 73 - HD2 LYS 39 poor 9 65 - 13 - 790/3.0=2, 788/3.5=1, 791=1 H ALA 30 - HD3 LYS 73 lone 9 93 - 9 - 2988/2.9=1, 80/5.2=1 H ALA 30 - HD2 LYS 73 lone 9 93 - 9 - 2988/2.9=1, 80/5.2=1 H LYS 73 - HD3 LYS 39 poor 8 63 - 13 - 790/3.0=2, 788/3.5=1 H ALA 63 - HD2 LYS 32 lone 5 85 - 6 - H ALA 63 - HD2 LYS 39 poor 5 49 - 10 - 258/3.0=1, 4690/5.0=1, 934/6.2=1 H ALA 63 - HD3 LYS 32 lone 5 85 - 6 - H ALA 63 - HD3 LYS 39 poor 5 47 - 10 - 258/3.0=1, 4690/5.0=1, 934/6.2=1 H ARG 69 - HD2 LYS 39 lone 5 56 - 8 - 760/3.5=2, 761/3.0=2 H ARG 69 - HD3 LYS 39 lone 4 54 - 8 - 760/3.5=2, 761/3.0=2 H GLY 72 - HD2 LYS 39 lone 4 64 - 6 - 5841/3.5=1, 5839/3.0=1 H GLY 72 - HD3 LYS 39 lone 4 61 - 6 - 5841/3.5=1, 5839/3.0=1 H ALA 30 - HD2 LYS 39 lone 3 56 - 5 - H ALA 30 - HD3 LYS 39 lone 3 54 - 5 - Peak 3019 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 3.92 A): 3 out of 63 assignments used, quality = 0.96: HA LYS 73 + HD2 LYS 73 OK 76 99 - 77 - 5.2=43, 2960/3.5=8...(21) * HA LYS 73 + HD3 LYS 73 OK 76 99 - 77 - 5.2=43, 2960/3.5=8...(21) HA LYS 73 + HD3 LYS 32 OK 35 99 - 36 - 3.0/791=2, 3.8/2995=2...(15) HA LYS 73 - HD2 LYS 32 OK 35 99 - 36 - 3.0/792=2, 3.8/2994=2...(15) HA ARG 84 - HD3 LYS 73 OK 24 100 - 24 - 2962/2.9=2, 2969/3.5=2...(8) HA ARG 84 - HD2 LYS 73 OK 24 100 - 24 - 2962/2.9=2, 2969/3.5=2...(8) HA ILE 89 - HD3 LYS 73 OK 18 90 - 20 - 3599/3.5=5, 2989/2.9=2...(6) HA ILE 89 - HD2 LYS 73 OK 18 90 - 20 - 3599/3.5=5, 2989/2.9=2...(6) HA LEU 29 - HD2 LYS 32 OK 14 71 - 20 - ~1594=2, ~78=2, ~1584=2...(7) HA LEU 29 - HD3 LYS 32 OK 14 71 - 20 - ~1594=2, ~78=2, ~1584=2...(7) HA ARG 84 - HD3 LYS 32 OK 12 100 - 12 - HA ARG 84 - HD2 LYS 32 OK 12 100 - 12 - HA ARG 84 - HG2 ARG 71 OK 12 98 - 12 - HA LYS 73 - HD2 LYS 39 OK 12 63 - 19 - HA LYS 73 - HG2 ARG 71 OK 12 96 - 12 - 2958/5.0=2, 3.0/791=1 HA ARG 82 - HD3 LYS 73 OK 12 98 - 12 - 3.6/5896=2, 5446/2.9=2...(5) HA ARG 82 - HD2 LYS 73 OK 12 98 - 12 - 3.6/5896=2, 5446/2.9=2...(5) HA LYS 73 - HD3 LYS 39 OK 12 60 - 19 - HA ALA 53 - HD3 LYS 73 OK 11 78 - 14 - 2295/2.9=2, 3.0/4964=2...(6) HA ALA 53 - HD2 LYS 73 OK 11 78 - 14 - 2295/2.9=2, 3.0/4964=2...(6) HA LEU 29 - HD3 LYS 73 poor 8 71 - 11 - 786/6.1=1, 2962/2.9=1 HA LEU 29 - HD2 LYS 73 poor 8 71 - 11 - 786/6.1=1, 2962/2.9=1 HA ARG 82 - HD3 LYS 32 lone 7 98 - 8 - HA ARG 82 - HD2 LYS 32 lone 7 98 - 7 - HA ALA 53 - HD3 LYS 32 lone 6 78 - 8 - 3.0/4964=2, ~202=1, ~4964=1 HA ARG 82 - HD2 LYS 39 poor 6 61 - 10 - 3.6/5896=1, 5885/3.0=1, ~5478=1 HA ALA 53 - HD2 LYS 32 lone 6 78 - 8 - 3.0/4964=2, ~202=1, ~4964=1 HA ARG 82 - HD3 LYS 39 poor 6 59 - 10 - 3.6/5896=1, 5885/3.0=1, ~5478=1 HA ALA 53 - HD2 LYS 39 poor 6 44 - 13 - 2295/3.0=2, 5702/6.2=2...(6) HA ALA 53 - HD3 LYS 39 poor 5 42 - 13 - 2295/3.0=2, 5702/6.2=2...(6) HA ALA 78 - HD3 LYS 73 lone 5 81 - 7 - HA ALA 78 - HD2 LYS 73 lone 5 81 - 7 - HA GLN 79 - HD2 LYS 73 lone 5 96 - 5 - 5446/2.9=1 HA GLN 79 - HD3 LYS 73 lone 5 96 - 5 - 5446/2.9=1 HA LEU 29 - HG2 ARG 71 lone 5 66 - 7 - 4008/5.0=1 HA ARG 82 - HG2 ARG 71 lone 4 94 - 5 - HA ARG 84 - HD2 LYS 39 lone 4 65 - 6 - HA ARG 84 - HD3 LYS 39 lone 4 63 - 6 - HA ILE 89 - HG2 ARG 71 lone 3 86 - 3 - HA LEU 29 - HD2 LYS 39 lone 3 39 - 7 - HA ILE 89 - HD3 LYS 32 lone 3 90 - 3 - HA LEU 29 - HD3 LYS 39 lone 3 37 - 7 - HA ILE 89 - HD2 LYS 32 lone 3 90 - 3 - HA ILE 89 - HD2 LYS 39 lone 2 53 - 4 - HA ILE 89 - HD3 LYS 39 lone 2 51 - 4 - HB THR 15 - HD2 LYS 73 lone 2 87 - 2 - HB THR 15 - HD3 LYS 73 lone 2 87 - 2 - HA GLN 79 - HD2 LYS 32 lone 2 96 - 2 - HA GLN 79 - HD3 LYS 32 lone 2 95 - 2 - HA GLN 79 - HG2 ARG 71 lone 1 91 - 1 - HA ALA 78 - HD3 LYS 32 lone 1 80 - 2 - HA ALA 78 - HD2 LYS 32 lone 1 81 - 2 - HA GLN 79 - HD2 LYS 39 lone 1 58 - 2 - HA ALA 78 - HD2 LYS 39 lone 1 46 - 3 - HA GLN 79 - HD3 LYS 39 lone 1 56 - 2 - HA ALA 78 - HD3 LYS 39 lone 1 44 - 3 - HB THR 15 - HD3 LYS 32 lone 1 87 - 1 - HB THR 15 - HD2 LYS 32 lone 1 87 - 1 - HA ALA 53 - HG2 ARG 71 lone 1 73 - 1 - HB THR 15 - HD2 LYS 39 lone 1 50 - 2 - HB THR 15 - HD3 LYS 39 lone 1 48 - 2 - HB THR 15 - HG2 ARG 71 lone 1 82 - 1 - HA ALA 78 - HG2 ARG 71 lone 1 76 - 1 - Peak 3020 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 4 out of 63 assignments used, quality = 0.93: HB2 LYS 73 + HD2 LYS 73 OK 66 100 - 66 - 3.5=56, 787/6.1=2...(9) * HB2 LYS 73 + HD3 LYS 73 OK 66 100 - 66 - 3.5=56, 787/6.1=2...(9) HB2 LYS 73 + HD3 LYS 32 OK 25 100 - 26 - 2.9/2995=1, 2975=1, 2974/1.8=1 HB2 LYS 73 + HD2 LYS 32 OK 25 100 - 25 - 2.9/2995=1, 2974=1, 2974/1.8=1 HB2 LYS 75 - HD3 LYS 73 OK 20 83 - 25 - 2972/2.9=2 HB2 LYS 75 - HD2 LYS 73 OK 20 83 - 25 - 2972/2.9=2 HB2 ARG 17 - HG2 ARG 71 OK 19 84 - 23 - 1157/1.8=2, 1.8/1167=2...(5) HB2 LYS 85 - HD2 LYS 73 OK 15 83 - 18 - 2972/2.9=1 HB2 LYS 85 - HD3 LYS 73 OK 15 83 - 18 - 2972/2.9=1 HB ILE 89 - HD3 LYS 73 OK 13 100 - 13 - 3605/5.2=2, 2990/2.9=2...(4) HB ILE 89 - HD2 LYS 73 OK 13 100 - 13 - 3605/5.2=2, 2990/2.9=2...(4) HB2 LYS 75 - HD2 LYS 39 OK 12 47 - 25 - ~1865=1, ~1863=1...(6) HB2 LYS 75 - HD3 LYS 39 OK 11 45 - 25 - ~1865=1, ~1863=1...(6) HB3 ARG 84 - HD2 LYS 73 poor 10 83 - 12 - HB3 ARG 84 - HD3 LYS 73 poor 10 83 - 12 - HB2 LYS 73 - HD2 LYS 39 poor 9 65 - 13 - HB2 LYS 73 - HD3 LYS 39 poor 8 63 - 13 - HB2 ARG 69 - HD2 LYS 73 lone 8 83 - 10 - 2797/2.9=1 HB2 ARG 69 - HD3 LYS 73 lone 8 83 - 10 - 2797/2.9=1 HB2 LYS 75 - HD3 LYS 32 lone 8 83 - 9 - HB2 LYS 75 - HD2 LYS 32 lone 8 83 - 9 - HB2 LYS 73 - HG2 ARG 71 lone 6 98 - 6 - 2968/5.0=1 HB3 ARG 84 - HG2 ARG 71 lone 6 78 - 7 - HB2 ARG 23 - HG2 ARG 71 lone 5 69 - 7 - HB3 ARG 23 - HG2 ARG 71 lone 5 66 - 7 - HB3 ARG 84 - HD2 LYS 32 lone 5 83 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 5 83 - 5 - HB2 ARG 69 - HD3 LYS 32 lone 4 83 - 5 - HB2 ARG 17 - HD2 LYS 73 lone 4 89 - 4 - HB2 ARG 17 - HD3 LYS 73 lone 4 89 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 4 83 - 5 - HB2 ARG 17 - HD3 LYS 32 lone 3 88 - 4 - HB2 ARG 17 - HD2 LYS 32 lone 3 89 - 4 - HB2 LYS 85 - HD3 LYS 32 lone 3 83 - 4 - HB2 LYS 85 - HD2 LYS 32 lone 3 83 - 4 - HB2 ARG 69 - HG2 ARG 71 lone 3 78 - 4 - 2792/5.0=2 HB2 LYS 75 - HG2 ARG 71 lone 3 78 - 4 - HB2 ARG 23 - HD2 LYS 39 lone 3 41 - 6 - HB3 ARG 23 - HD2 LYS 39 lone 2 39 - 6 - HB2 ARG 23 - HD3 LYS 39 lone 2 39 - 6 - HB3 ARG 23 - HD3 LYS 39 lone 2 37 - 6 - HB ILE 89 - HD2 LYS 39 lone 2 65 - 3 - HB ILE 89 - HG2 ARG 71 lone 2 98 - 2 - HB ILE 89 - HD3 LYS 39 lone 2 63 - 3 - HB2 LYS 85 - HD2 LYS 39 lone 2 47 - 4 - HB2 LYS 85 - HG2 ARG 71 lone 2 78 - 2 - HB2 LYS 85 - HD3 LYS 39 lone 2 45 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 2 47 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 2 45 - 4 - HB ILE 89 - HD3 LYS 32 lone 1 100 - 1 - HB ILE 89 - HD2 LYS 32 lone 1 100 - 1 - HB3 ARG 84 - HD2 LYS 39 lone 1 47 - 3 - HB3 ARG 84 - HD3 LYS 39 lone 1 45 - 3 - HB2 ARG 23 - HD2 LYS 73 lone 1 73 - 1 - HB2 ARG 23 - HD3 LYS 73 lone 1 73 - 1 - HB3 ARG 23 - HD2 LYS 73 lone 1 71 - 1 - HB3 ARG 23 - HD3 LYS 73 lone 1 71 - 1 - HB2 ARG 17 - HD2 LYS 39 lone 1 52 - 2 - HB2 ARG 17 - HD3 LYS 39 lone 1 50 - 2 - HB2 ARG 23 - HD3 LYS 32 lone 1 73 - 1 - HB2 ARG 23 - HD2 LYS 32 lone 1 73 - 1 - HB3 ARG 23 - HD3 LYS 32 lone 1 71 - 1 - HB3 ARG 23 - HD2 LYS 32 lone 1 71 - 1 - Peak 3021 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 8 out of 126 assignments used, quality = 1.00: HB2 LYS 32 + HD2 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB3 LYS 32 + HD2 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB2 LYS 32 + HD3 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HB3 LYS 32 + HD3 LYS 32 OK 70 100 - 70 - 3.5=53, ~1558=4...(16) HG3 ARG 71 + HG2 ARG 71 OK 64 64 - 100 - 1.8=100 * HB3 LYS 73 + HD3 LYS 73 OK 59 100 - 59 - 3.5=50, 4.0/792=2...(6) HB3 LYS 73 + HD2 LYS 73 OK 59 100 - 59 - 3.5=50, 4.0/792=2...(6) HB3 LYS 39 + HD2 LYS 39 OK 45 64 - 70 - 3.5=51, 2.9/1868=4...(16) HB3 LYS 39 - HD3 LYS 39 OK 43 62 - 70 - 3.5=51, 2.9/1868=4...(16) HB2 LYS 32 - HD2 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1571=2...(6) HB2 LYS 32 - HD3 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 32 - HD3 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 32 - HD2 LYS 73 OK 30 100 - 31 - 2.9/1601=2, 1581=2...(6) HB3 LYS 75 - HD2 LYS 73 OK 22 97 - 23 - 2982/2.9=1 HB3 LYS 75 - HD3 LYS 73 OK 22 97 - 23 - 2982/2.9=1 HB3 LYS 73 - HD3 LYS 32 OK 21 100 - 22 - 2.9/2994=1, 1596/3.0=1...(4) HB3 LYS 73 - HD2 LYS 32 OK 21 100 - 22 - 2.9/2994=1, 1597/3.0=1...(4) HG3 ARG 26 - HG2 ARG 71 OK 18 56 - 32 - 1394=4, ~2932=2...(8) HB3 LYS 39 - HD2 LYS 73 OK 17 100 - 17 - HB3 LYS 39 - HD3 LYS 73 OK 17 100 - 17 - HB3 LYS 75 - HD2 LYS 39 OK 17 61 - 29 - 1865/3.0=2, ~1864=2...(9) HB3 LYS 75 - HD3 LYS 39 OK 16 58 - 29 - 1865/3.0=2, ~1864=2...(9) HB2 ARG 54 - HD3 LYS 32 OK 15 95 - 16 - 1597/3.0=2, 1587/3.0=1, ~2319=1 HB2 ARG 54 - HD2 LYS 32 OK 15 96 - 15 - 1597/3.0=2, 1587/3.0=1, ~2319=1 HB2 PRO 34 - HG2 ARG 71 OK 14 98 - 14 - 1709/2.8=1 HG2 PRO 34 - HD3 LYS 32 OK 13 87 - 15 - 1596/3.0=1, 1587/3.0=1 HB2 PRO 34 - HD3 LYS 32 OK 13 100 - 13 - HG2 PRO 34 - HD2 LYS 32 OK 13 87 - 15 - 1597/3.0=1, 1587/3.0=1 HB2 PRO 34 - HD2 LYS 32 OK 12 100 - 13 - HB2 ARG 54 - HD2 LYS 39 OK 12 58 - 21 - 2310/3.0=2, 2312/1.8=2...(8) HB3 LYS 39 - HD3 LYS 32 OK 12 100 - 12 - HB2 ARG 54 - HD3 LYS 39 OK 12 56 - 22 - 2310/3.0=2, 2312/1.8=2...(8) HG2 PRO 34 - HG2 ARG 71 OK 11 82 - 14 - 1723/2.8=1, 1723/2.8=1 HB3 LYS 39 - HD2 LYS 32 OK 11 100 - 11 - HB2 LYS 85 - HD3 LYS 73 poor 10 71 - 14 - HB2 LYS 85 - HD2 LYS 73 poor 10 71 - 14 - HB2 LYS 13 - HD2 LYS 73 lone 9 96 - 10 - HB2 LYS 13 - HD3 LYS 73 lone 9 96 - 10 - HB3 LYS 32 - HG2 ARG 71 lone 9 97 - 9 - HB2 LYS 32 - HG2 ARG 71 lone 9 97 - 9 - HB3 LYS 75 - HD3 LYS 32 lone 9 97 - 9 - HG3 ARG 71 - HD2 LYS 32 poor 9 68 - 13 - 2932=1 HG3 ARG 71 - HD3 LYS 32 poor 9 68 - 13 - 2932=1 HB3 LYS 75 - HD2 LYS 32 lone 8 97 - 8 - HB3 LYS 73 - HD2 LYS 39 poor 8 65 - 12 - HB3 LYS 32 - HD3 LYS 39 poor 8 62 - 13 - HB2 LYS 32 - HD3 LYS 39 poor 8 62 - 13 - HB ILE 33 - HD2 LYS 32 lone 8 98 - 8 - 4219/3.0=2, 1586/3.0=1 HB ILE 33 - HD3 LYS 32 lone 8 98 - 8 - 4219/3.0=2, 1586/3.0=1 HB3 LYS 73 - HD3 LYS 39 poor 8 63 - 12 - HB3 LYS 32 - HD2 LYS 39 poor 8 65 - 12 - HB2 LYS 32 - HD2 LYS 39 poor 8 65 - 12 - HB3 ARG 84 - HD2 LYS 73 poor 7 71 - 10 - HB3 ARG 84 - HD3 LYS 73 poor 7 71 - 10 - HB2 LEU 57 - HD3 LYS 73 lone 7 97 - 7 - 2438/2.9=1 HB2 LEU 57 - HD2 LYS 73 lone 7 97 - 7 - 2438/2.9=1 HB2 PRO 34 - HD2 LYS 39 lone 6 65 - 10 - 1865/3.0=1 HB2 PRO 34 - HD3 LYS 39 lone 6 63 - 10 - 1865/3.0=1 HB3 LYS 73 - HG2 ARG 71 lone 6 98 - 6 - 5841/5.0=1 HB2 LEU 57 - HD2 LYS 32 lone 6 97 - 6 - HB2 LEU 57 - HD3 LYS 32 lone 6 96 - 6 - HB2 ARG 69 - HD2 LYS 73 lone 6 71 - 8 - HB2 ARG 69 - HD3 LYS 73 lone 6 71 - 8 - HG3 ARG 71 - HD2 LYS 73 lone 6 68 - 8 - HG3 ARG 71 - HD3 LYS 73 lone 6 68 - 8 - HB2 LYS 83 - HD3 LYS 73 lone 6 100 - 6 - HB2 LYS 83 - HD2 LYS 73 lone 6 100 - 6 - HG2 PRO 34 - HD2 LYS 39 poor 5 50 - 10 - 1723/3.5=1 HG2 PRO 34 - HD3 LYS 39 poor 5 48 - 10 - 1723/3.5=1 HB2 LYS 13 - HD2 LYS 39 lone 5 58 - 8 - HB2 LYS 13 - HD3 LYS 39 lone 5 56 - 8 - HB3 ARG 82 - HD2 LYS 73 lone 4 96 - 5 - HB3 ARG 82 - HD3 LYS 73 lone 4 96 - 5 - HB3 ARG 84 - HG2 ARG 71 lone 4 66 - 7 - HB3 LYS 75 - HG2 ARG 71 lone 4 94 - 4 - HB3 ARG 84 - HD2 LYS 32 lone 4 71 - 5 - HB3 ARG 84 - HD3 LYS 32 lone 4 71 - 5 - HB2 LYS 13 - HD3 LYS 32 lone 4 95 - 4 - HB2 LYS 13 - HD2 LYS 32 lone 4 96 - 4 - HB2 ARG 69 - HD3 LYS 32 lone 3 71 - 4 - HB2 ARG 69 - HD2 LYS 32 lone 3 71 - 4 - HB2 ARG 54 - HD3 LYS 73 lone 3 96 - 3 - HB2 ARG 54 - HD2 LYS 73 lone 3 96 - 3 - HB2 LEU 57 - HD2 LYS 39 lone 3 60 - 5 - HB3 ARG 82 - HD3 LYS 32 lone 3 95 - 3 - HB3 ARG 82 - HD2 LYS 32 lone 3 96 - 3 - HB2 LEU 57 - HD3 LYS 39 lone 3 57 - 5 - HB3 LYS 39 - HG2 ARG 71 lone 3 97 - 3 - HG2 PRO 34 - HD2 LYS 73 lone 3 87 - 3 - HG2 PRO 34 - HD3 LYS 73 lone 3 87 - 3 - HG3 ARG 26 - HD3 LYS 32 lone 2 60 - 4 - HG3 ARG 26 - HD2 LYS 32 lone 2 60 - 4 - HB3 ARG 82 - HD2 LYS 39 lone 2 58 - 4 - HB3 ARG 82 - HG2 ARG 71 lone 2 91 - 3 - HB2 LYS 83 - HD2 LYS 39 lone 2 65 - 4 - HB3 ARG 82 - HD3 LYS 39 lone 2 56 - 4 - HB2 PRO 34 - HD2 LYS 73 lone 2 100 - 2 - HB2 PRO 34 - HD3 LYS 73 lone 2 100 - 2 - HB2 LYS 83 - HD3 LYS 39 lone 2 62 - 4 - HB2 ARG 69 - HG2 ARG 71 lone 2 66 - 3 - 2792/5.0=1 HB2 LYS 85 - HD3 LYS 32 lone 2 71 - 3 - HB2 LYS 85 - HD2 LYS 32 lone 2 71 - 3 - HB2 LYS 85 - HD2 LYS 39 lone 2 39 - 4 - HB2 LYS 83 - HD3 LYS 32 lone 2 100 - 2 - HB2 LYS 83 - HD2 LYS 32 lone 2 100 - 2 - HB2 LYS 85 - HD3 LYS 39 lone 2 37 - 4 - HB2 ARG 69 - HD2 LYS 39 lone 2 39 - 4 - HB2 ARG 69 - HD3 LYS 39 lone 2 37 - 4 - HB2 LEU 57 - HG2 ARG 71 lone 1 93 - 1 - HB2 ARG 54 - HG2 ARG 71 lone 1 91 - 1 - HB2 LYS 85 - HG2 ARG 71 lone 1 66 - 2 - HB ILE 33 - HD3 LYS 73 lone 1 98 - 1 - HB ILE 33 - HD2 LYS 73 lone 1 98 - 1 - HB3 ARG 84 - HD2 LYS 39 lone 1 39 - 3 - HG3 ARG 26 - HD3 LYS 73 lone 1 60 - 2 - HG3 ARG 26 - HD2 LYS 73 lone 1 60 - 2 - HB3 ARG 84 - HD3 LYS 39 lone 1 37 - 3 - HB2 LYS 83 - HG2 ARG 71 lone 1 97 - 1 - HB ILE 33 - HG2 ARG 71 lone 1 94 - 1 - HB ILE 33 - HD2 LYS 39 lone 1 61 - 2 - HB ILE 33 - HD3 LYS 39 lone 1 59 - 2 - HB2 LYS 13 - HG2 ARG 71 lone 1 91 - 1 - HG3 ARG 71 - HD2 LYS 39 lone 1 37 - 1 - HG3 ARG 71 - HD3 LYS 39 lone 0 36 - 1 - HG3 ARG 26 - HD2 LYS 39 lone 0 32 - 1 - HG3 ARG 26 - HD3 LYS 39 lone 0 31 - 1 - Peak 3022 from cnoeabs.peaks (1.48, 1.61, 28.78 ppm; 3.02 A): 2 out of 42 assignments used, quality = 1.00: * HG2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 2.9=100 HG2 LYS 73 - HD3 LYS 32 OK 32 100 - 32 - 2995=3, 2994/1.8=2...(4) HG2 LYS 73 - HD2 LYS 32 OK 31 100 - 32 - 2995=3, 2994/1.8=2...(4) HG3 LYS 85 - HD2 LYS 73 OK 15 71 - 22 - 2995=2, 2972/3.5=1, 2994/1.8=1 HG3 LYS 85 - HD3 LYS 73 OK 15 71 - 22 - 2994=2, 2972/3.5=1, 2994/1.8=1 HG3 LYS 13 - HD3 LYS 73 OK 12 78 - 16 - 2994=1, 2972/3.5=1 HG3 LYS 13 - HD2 LYS 73 OK 12 78 - 16 - 2995=1, 2972/3.5=1 HG2 LYS 73 - HD2 LYS 39 OK 11 65 - 17 - 2995=1 HG2 LYS 73 - HD3 LYS 39 OK 11 63 - 17 - 2995=1 HB3 LEU 52 - HD2 LYS 32 OK 10 100 - 10 - 2267/3.0=2 HB3 LEU 52 - HD3 LYS 32 OK 10 100 - 10 - 2267/3.0=2 HB3 LEU 57 - HD2 LYS 73 poor 10 97 - 10 - HB3 LEU 57 - HD3 LYS 73 poor 10 97 - 10 - QB ALA 63 - HG2 ARG 71 lone 9 95 - 10 - 2610/3.8=1, ~2929=1, 2.1/2921=1 HG2 LYS 73 - HG2 ARG 71 lone 8 98 - 8 - 2988/5.0=1 HB3 LEU 57 - HD3 LYS 32 lone 8 97 - 8 - HB3 LEU 57 - HD2 LYS 32 lone 8 97 - 8 - HB3 LEU 52 - HD3 LYS 73 lone 8 100 - 8 - HB3 LEU 52 - HD2 LYS 73 lone 8 100 - 8 - QB ALA 63 - HD3 LYS 73 lone 7 99 - 7 - QB ALA 63 - HD2 LYS 73 lone 7 99 - 7 - HG3 LYS 13 - HD2 LYS 39 poor 5 44 - 12 - HG3 LYS 13 - HD3 LYS 39 poor 5 42 - 12 - HG3 LYS 13 - HD3 LYS 32 lone 4 78 - 6 - HG3 LYS 13 - HD2 LYS 32 lone 4 78 - 5 - HB3 LEU 57 - HD2 LYS 39 lone 4 61 - 6 - HG3 LYS 85 - HD3 LYS 32 lone 3 71 - 5 - HG3 LYS 85 - HD2 LYS 32 lone 3 71 - 5 - HB3 LEU 57 - HD3 LYS 39 lone 3 58 - 6 - HB3 LEU 52 - HD2 LYS 39 lone 2 64 - 4 - HB3 LEU 52 - HD3 LYS 39 lone 2 62 - 4 - QB ALA 63 - HD2 LYS 32 lone 2 99 - 2 - QB ALA 63 - HD3 LYS 32 lone 2 99 - 2 - HG3 LYS 85 - HD2 LYS 39 lone 2 39 - 5 - HG3 LYS 85 - HD3 LYS 39 lone 2 37 - 5 - QB ALA 63 - HD2 LYS 39 lone 2 62 - 3 - QB ALA 63 - HD3 LYS 39 lone 2 60 - 3 - HG3 LYS 85 - HG2 ARG 71 lone 2 66 - 2 - HB3 LEU 57 - HG2 ARG 71 lone 1 94 - 2 - HB3 LEU 52 - HG2 ARG 71 lone 1 97 - 1 - HG3 LYS 13 - HG2 ARG 71 lone 1 73 - 1 - Peak 3023 from cnoeabs.peaks (1.39, 1.61, 28.78 ppm; 3.25 A): 4 out of 91 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 2.9=100 HG3 LYS 39 + HD2 LYS 39 OK 52 52 - 100 - 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 - 100 - 3.0=100 HG2 LYS 75 - HD3 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG2 LYS 75 - HD2 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG3 LYS 75 - HD3 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3005=2...(6) HG3 LYS 75 - HD2 LYS 73 OK 42 100 - 42 - 2993/2.9=2, 3004=2...(6) HG3 LYS 73 - HD3 LYS 32 OK 36 100 - 37 - 1.8/2994=2, 3004=2...(8) HG3 LYS 73 - HD2 LYS 32 OK 36 100 - 36 - 1.8/2995=2, 3005=2...(8) HG2 LYS 75 - HD2 LYS 39 OK 28 65 - 44 - 1867/3.0=3, ~1867=2...(11) HG3 LYS 75 - HD2 LYS 39 OK 28 65 - 44 - 1867/3.0=3, ~1867=2...(11) HG3 LYS 75 - HD3 LYS 39 OK 28 63 - 45 - 1867/3.0=3, ~1867=2...(12) HG2 LYS 75 - HD3 LYS 39 OK 28 63 - 45 - 1867/3.0=3, ~1867=2...(12) HG2 LYS 85 - HD2 LYS 73 OK 24 97 - 25 - 3005=1, 3002/2.9=1...(4) HG2 LYS 85 - HD3 LYS 73 OK 24 97 - 25 - 3005=1, 3002/2.9=1...(4) HG3 LYS 39 - HD3 LYS 73 OK 24 89 - 27 - 1878/1.8=1, 1878=1...(4) HG3 LYS 39 - HD2 LYS 73 OK 24 89 - 27 - 1878/1.8=1, 1878=1...(4) HG2 LYS 75 - HD3 LYS 32 OK 19 100 - 19 - HG3 LYS 75 - HD3 LYS 32 OK 19 100 - 19 - HG3 LYS 39 - HD3 LYS 32 OK 19 88 - 21 - HG3 LYS 75 - HD2 LYS 32 OK 18 100 - 18 - HG2 LYS 75 - HD2 LYS 32 OK 18 100 - 18 - HB3 ARG 69 - HD2 LYS 73 OK 18 99 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HB3 ARG 69 - HD3 LYS 73 OK 18 99 - 18 - 2802/3.5=2, 2802/3.5=2...(5) HG3 LYS 39 - HD2 LYS 32 OK 18 89 - 20 - HG3 ARG 69 - HD2 LYS 73 OK 14 97 - 15 - 2818/3.5=2, 2818/3.5=1 HG3 ARG 69 - HD3 LYS 73 OK 14 97 - 15 - 2818/3.5=2, 2818/3.5=1 HG3 LYS 73 - HD2 LYS 39 OK 13 65 - 20 - 1867/3.0=1 HG3 LYS 73 - HD3 LYS 39 OK 13 63 - 20 - 1867/3.0=1 HG3 LYS 73 - HG2 ARG 71 lone 9 98 - 10 - 5839/5.0=1 QB ALA 53 - HD3 LYS 73 lone 9 100 - 9 - 2.9/4964=1, ~203=1 QB ALA 53 - HD2 LYS 73 lone 9 100 - 9 - 2.9/4964=1, ~203=1 HB3 ARG 69 - HD3 LYS 32 lone 8 99 - 8 - 4.3/771=1, 4766/5.1=1 HB3 ARG 69 - HD2 LYS 32 lone 8 99 - 8 - 4.3/771=1, 4766/5.1=1 HG3 ARG 69 - HD3 LYS 32 lone 6 96 - 7 - HG3 ARG 69 - HD2 LYS 32 lone 6 97 - 7 - HG2 LYS 85 - HD3 LYS 32 lone 6 97 - 6 - HG2 LYS 85 - HD2 LYS 32 lone 6 97 - 6 - HG2 LYS 75 - HG2 ARG 71 lone 5 98 - 6 - HG3 LYS 75 - HG2 ARG 71 lone 5 98 - 6 - HG2 LYS 83 - HD3 LYS 73 lone 5 85 - 6 - HG2 LYS 83 - HD2 LYS 73 lone 5 85 - 6 - QB ALA 53 - HD2 LYS 32 lone 5 100 - 5 - 2.9/4964=1 QB ALA 53 - HD3 LYS 32 lone 5 100 - 5 - 2.9/4964=1 QB ALA 53 - HD2 LYS 39 lone 5 64 - 8 - 2.9/4964=1, ~2295=1 HB3 ARG 69 - HG2 ARG 71 lone 5 96 - 6 - 2800/5.0=2, 4.3/771=1 HB3 ARG 69 - HD2 LYS 39 lone 5 63 - 8 - 2802/3.5=1 QB ALA 53 - HD3 LYS 39 lone 5 62 - 8 - 2.9/4964=1, ~2295=1 HB3 ARG 69 - HD3 LYS 39 lone 5 60 - 8 - 2802/3.5=1 QB ALA 78 - HD3 LYS 73 lone 4 100 - 4 - QB ALA 78 - HD2 LYS 73 lone 4 100 - 4 - HG2 LYS 85 - HD2 LYS 39 lone 4 61 - 6 - HG3 ARG 69 - HD2 LYS 39 lone 4 60 - 6 - HG3 ARG 69 - HG2 ARG 71 lone 4 93 - 4 - 2816/5.0=2 HG2 LYS 85 - HD3 LYS 39 lone 4 58 - 6 - HG3 LYS 39 - HG2 ARG 71 lone 4 84 - 4 - HG3 ARG 69 - HD3 LYS 39 lone 4 57 - 6 - HG2 LYS 85 - HG2 ARG 71 lone 3 94 - 3 - QB ALA 77 - HD3 LYS 73 lone 3 96 - 3 - QB ALA 77 - HD2 LYS 73 lone 3 96 - 3 - QB ALA 16 - HG2 ARG 71 lone 2 58 - 3 - 3.6/487=1, 5.0/1150=1 HG2 LYS 83 - HD3 LYS 32 lone 2 85 - 2 - HG2 LYS 83 - HD2 LYS 32 lone 2 85 - 2 - HG2 LYS 83 - HD2 LYS 39 lone 2 49 - 3 - HG2 LYS 83 - HD3 LYS 39 lone 2 47 - 3 - QB ALA 20 - HD2 LYS 73 lone 2 97 - 2 - QB ALA 20 - HD3 LYS 73 lone 2 97 - 2 - QB ALA 20 - HG2 ARG 71 lone 1 94 - 1 - QB ALA 20 - HD2 LYS 39 lone 1 61 - 2 - QB ALA 20 - HD3 LYS 32 lone 1 97 - 1 - QB ALA 20 - HD2 LYS 32 lone 1 97 - 1 - QB ALA 20 - HD3 LYS 39 lone 1 58 - 2 - QB ALA 53 - HG2 ARG 71 lone 1 97 - 1 - QB ALA 78 - HD3 LYS 32 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 32 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 39 lone 1 65 - 1 - HG2 LYS 83 - HG2 ARG 71 lone 1 80 - 1 - QB ALA 78 - HD3 LYS 39 lone 1 63 - 1 - QB ALA 77 - HD2 LYS 39 lone 1 58 - 2 - QB ALA 77 - HG2 ARG 71 lone 1 91 - 1 - QB ALA 77 - HD3 LYS 39 lone 1 56 - 2 - QB ALA 77 - HD3 LYS 32 lone 1 95 - 1 - QB ALA 77 - HD2 LYS 32 lone 1 96 - 1 - QB ALA 16 - HD2 LYS 73 lone 1 63 - 1 - QB ALA 16 - HD3 LYS 73 lone 1 63 - 1 - QB ALA 78 - HG2 ARG 71 lone 1 98 - 1 - QB ALA 16 - HD3 LYS 32 lone 1 63 - 1 - QB ALA 16 - HD2 LYS 32 lone 1 63 - 1 - QB ALA 16 - HD2 LYS 39 lone 0 34 - 1 - QB ALA 16 - HD3 LYS 39 lone 0 32 - 1 - Peak 3024 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 94 94 - 100 HD2 LYS 39 - HD2 LYS 39 OK 36 36 - 100 HD3 LYS 39 - HD3 LYS 39 OK 32 32 - 100 Reference assignment not found: HD2 LYS 73 - HD3 LYS 73 Peak 3025 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 * HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 HD3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 HG2 ARG 71 + HG2 ARG 71 OK 94 94 - 100 HD2 LYS 39 - HD2 LYS 39 OK 36 36 - 100 HD3 LYS 39 - HD3 LYS 39 OK 32 32 - 100 Peak 3026 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 8 out of 84 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 41 41 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 39 39 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 36 36 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 22 99 - 22 - 6146/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 22 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 13 63 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD2 LYS 39 OK 12 62 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 75 - HD3 LYS 39 OK 12 60 - 21 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD3 LYS 39 OK 12 60 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 13 - HD2 LYS 73 OK 12 95 - 12 - HE3 LYS 13 - HD3 LYS 73 OK 12 95 - 12 - HE2 LYS 13 - HD3 LYS 73 OK 12 93 - 12 - HE2 LYS 13 - HD2 LYS 73 OK 12 93 - 12 - HE3 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE3 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HE2 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HB3 TYR 55 - HD2 LYS 32 lone 7 93 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 7 93 - 8 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 10 - HE3 LYS 13 - HD2 LYS 39 poor 7 57 - 11 - HE2 LYS 73 - HD2 LYS 39 lone 7 65 - 10 - HE2 LYS 39 - HD3 LYS 32 lone 7 73 - 9 - HE2 LYS 39 - HD2 LYS 32 lone 6 73 - 9 - HE2 LYS 13 - HD2 LYS 39 poor 6 56 - 11 - HE2 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE3 LYS 13 - HD3 LYS 39 poor 6 55 - 12 - HE2 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE2 LYS 13 - HD3 LYS 39 poor 6 54 - 12 - HE3 LYS 39 - HD3 LYS 32 lone 6 68 - 9 - HE3 LYS 39 - HD2 LYS 32 lone 6 68 - 9 - HE3 LYS 13 - HD3 LYS 32 lone 6 94 - 6 - HE2 LYS 13 - HD3 LYS 32 lone 6 93 - 6 - HE3 LYS 13 - HD2 LYS 32 lone 6 95 - 6 - HE2 LYS 13 - HD2 LYS 32 lone 6 93 - 6 - HE2 LYS 39 - HD3 LYS 73 lone 6 73 - 8 - HE2 LYS 39 - HD2 LYS 73 lone 6 73 - 8 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 5 68 - 8 - HE3 LYS 39 - HD2 LYS 73 lone 5 68 - 8 - HE3 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HE2 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HB3 TYR 55 - HD2 LYS 39 lone 2 56 - 4 - ~4634=2 HB3 TYR 55 - HD3 LYS 39 lone 2 54 - 4 - ~4634=2 HB3 TYR 55 - HD2 LYS 73 lone 2 93 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 93 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 96 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 95 - 2 - HB3 TYR 81 - HD2 LYS 73 lone 2 68 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 68 - 2 - HB3 TYR 81 - HD2 LYS 39 lone 1 37 - 3 - ~4684=1 HB3 TYR 81 - HD3 LYS 39 lone 1 36 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HD2 LYS 32 lone 1 68 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 68 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 69 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 64 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 90 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 89 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 64 - 1 - Peak 3027 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 8 out of 84 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 - HD2 LYS 39 OK 39 39 - 100 - 3.0=100 HE2 LYS 39 - HD3 LYS 39 OK 37 37 - 100 - 3.0=100 HE3 LYS 39 - HD2 LYS 39 OK 36 36 - 100 - 3.0=100 HE3 LYS 39 - HD3 LYS 39 OK 34 34 - 100 - 3.0=100 HE3 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD3 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE2 LYS 73 - HD2 LYS 32 OK 26 100 - 26 - 1628/3.0=2, 1602/3.0=2...(9) HE3 LYS 75 - HD3 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE3 LYS 75 - HD2 LYS 73 OK 21 99 - 22 - 6146/2.9=1 HE2 LYS 75 - HD2 LYS 73 OK 21 98 - 22 - 6146/2.9=1 HE2 LYS 75 - HD3 LYS 73 OK 21 98 - 22 - 6146/2.9=1 HE2 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE2 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD2 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 32 - HD3 LYS 73 OK 17 100 - 18 - 3.9/1591=2, 3.9/1601=2 HE3 LYS 75 - HD2 LYS 39 OK 12 62 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD2 LYS 39 OK 12 61 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 75 - HD3 LYS 39 OK 12 60 - 20 - ~1870=1, ~1871=1...(4) HE2 LYS 75 - HD3 LYS 39 OK 12 59 - 20 - ~1870=1, ~1871=1...(4) HE3 LYS 13 - HD2 LYS 73 OK 12 93 - 12 - HE3 LYS 13 - HD3 LYS 73 OK 12 93 - 12 - HE3 LYS 75 - HD3 LYS 32 OK 12 99 - 12 - HE2 LYS 75 - HD3 LYS 32 OK 11 98 - 12 - HE2 LYS 13 - HD2 LYS 73 OK 11 92 - 12 - HE2 LYS 13 - HD3 LYS 73 OK 11 92 - 12 - HE3 LYS 75 - HD2 LYS 32 OK 11 99 - 11 - HE2 LYS 75 - HD2 LYS 32 OK 11 98 - 11 - HB3 TYR 55 - HD2 LYS 32 lone 7 95 - 8 - HB3 TYR 55 - HD3 LYS 32 lone 7 94 - 8 - HE3 LYS 73 - HD2 LYS 39 poor 7 65 - 10 - HE2 LYS 73 - HD2 LYS 39 lone 6 65 - 10 - HE2 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 13 - HD2 LYS 39 poor 6 56 - 11 - HE3 LYS 32 - HG2 ARG 71 lone 6 98 - 6 - HE3 LYS 73 - HD3 LYS 39 poor 6 63 - 10 - HE2 LYS 39 - HD3 LYS 32 lone 6 71 - 9 - HE2 LYS 73 - HD3 LYS 39 lone 6 63 - 10 - HE2 LYS 39 - HD2 LYS 32 lone 6 71 - 9 - HE2 LYS 13 - HD2 LYS 39 poor 6 55 - 11 - HE3 LYS 13 - HD3 LYS 39 poor 6 54 - 11 - HE2 LYS 13 - HD3 LYS 39 poor 6 52 - 11 - HE3 LYS 13 - HD3 LYS 32 lone 6 93 - 6 - HE3 LYS 39 - HD3 LYS 32 lone 6 65 - 9 - HE2 LYS 13 - HD3 LYS 32 lone 6 92 - 6 - HE3 LYS 13 - HD2 LYS 32 lone 6 93 - 6 - HE3 LYS 39 - HD2 LYS 32 lone 6 65 - 9 - HE2 LYS 13 - HD2 LYS 32 lone 6 92 - 6 - HE2 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE3 LYS 32 - HD2 LYS 39 lone 6 65 - 9 - HE2 LYS 39 - HD2 LYS 73 lone 6 71 - 8 - HE2 LYS 39 - HD3 LYS 73 lone 6 71 - 8 - HE2 LYS 32 - HD3 LYS 39 lone 6 63 - 9 - HE3 LYS 32 - HD3 LYS 39 lone 5 63 - 9 - HE3 LYS 39 - HD3 LYS 73 lone 5 65 - 8 - HE3 LYS 39 - HD2 LYS 73 lone 5 65 - 8 - HE3 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HE2 LYS 73 - HG2 ARG 71 lone 4 98 - 4 - HB3 TYR 55 - HD2 LYS 39 lone 2 57 - 4 - ~4634=2 HB3 TYR 55 - HD3 LYS 39 lone 2 55 - 4 - ~4634=2 HB3 TYR 55 - HD2 LYS 73 lone 2 95 - 2 - HB3 TYR 55 - HD3 LYS 73 lone 2 95 - 2 - HE3 LYS 75 - HG2 ARG 71 lone 2 95 - 2 - HE2 LYS 75 - HG2 ARG 71 lone 2 94 - 2 - HB3 TYR 81 - HD2 LYS 73 lone 2 65 - 2 - HB3 TYR 81 - HD3 LYS 73 lone 2 65 - 2 - HB3 TYR 81 - HD2 LYS 39 lone 1 36 - 3 - ~4684=1 HB3 TYR 55 - HG2 ARG 71 lone 1 90 - 1 - HB3 TYR 81 - HD3 LYS 39 lone 1 34 - 3 - ~4684=1 HB3 TYR 81 - HD2 LYS 32 lone 1 65 - 1 - HB3 TYR 81 - HD3 LYS 32 lone 1 65 - 1 - HE2 LYS 39 - HG2 ARG 71 lone 1 66 - 1 - HE3 LYS 39 - HG2 ARG 71 lone 1 61 - 1 - HE3 LYS 13 - HG2 ARG 71 lone 1 89 - 1 - HE2 LYS 13 - HG2 ARG 71 lone 1 87 - 1 - HB3 TYR 81 - HG2 ARG 71 lone 0 61 - 1 - Peak 3030 from cnoeabs.peaks (1.82, 2.95, 41.78 ppm; 3.52 A): 4 out of 90 assignments used, quality = 0.97: HB2 LYS 73 + HE3 LYS 73 OK 65 100 - 65 - 4.7=42, 3010/3.0=4...(13) * HB2 LYS 73 + HE2 LYS 73 OK 65 100 - 65 - 4.7=42, 3020/3.0=4...(12) HB2 LYS 75 + HE3 LYS 75 OK 50 80 - 62 - 5.0=36, 3118/2.9=3...(27) HB2 LYS 75 + HE2 LYS 75 OK 49 79 - 62 - 5.0=36, 3128/2.9=3...(27) HB2 LYS 73 - HE3 LYS 75 OK 35 99 - 36 - 2.9/6146=2, 2973/3.5=1...(7) HB2 LYS 73 - HE2 LYS 75 OK 35 99 - 36 - 2.9/6146=2, 2973/3.5=1...(7) HB2 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 3020/3.0=2, 3020/3.0=2 HB2 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 3020/3.0=2, 3020/3.0=2 HB2 LYS 75 - HE3 LYS 13 OK 21 70 - 31 - ~3073=1, ~3072=1...(6) HB2 LYS 75 - HE2 LYS 13 OK 21 69 - 31 - ~3073=1, ~3072=1...(6) HB2 LYS 73 - HE3 LYS 13 OK 20 91 - 22 - 2972/3.8=1 HB2 LYS 73 - HE2 LYS 13 OK 20 90 - 22 - 2972/3.8=1 HB2 LYS 75 - HE3 LYS 73 OK 20 83 - 24 - 2972/3.7=2, 3020/3.0=1...(4) HB2 LYS 75 - HE2 LYS 73 OK 20 83 - 24 - 2972/3.7=2, 3020/3.0=1...(4) HB2 LYS 85 - HE3 LYS 75 OK 15 80 - 19 - HB2 LYS 85 - HE2 LYS 75 OK 15 79 - 19 - HB2 LYS 75 - HE2 LYS 39 OK 13 54 - 25 - 1846/3.6=2, 3.0/3075=1 HB2 LYS 85 - HE3 LYS 73 OK 13 83 - 16 - 2972/3.7=2 HB2 LYS 85 - HE2 LYS 73 OK 13 83 - 16 - 2972/3.7=2 HB2 LYS 75 - HE3 LYS 39 OK 12 50 - 25 - 1846/3.6=2, 3.0/3075=1 HB ILE 89 - HE2 LYS 73 OK 11 100 - 11 - 3605/6.1=2, 2990/3.7=2 HB ILE 89 - HE3 LYS 73 OK 11 100 - 11 - 3605/6.1=2, 2990/3.7=2 HB2 LYS 73 - HE2 LYS 39 OK 10 73 - 14 - HB2 LYS 75 - HE2 LYS 32 poor 10 83 - 12 - HB2 LYS 75 - HE3 LYS 32 poor 10 83 - 12 - HB2 LYS 73 - HE3 LYS 39 poor 10 68 - 14 - HB2 ARG 69 - HE3 LYS 75 poor 9 80 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 poor 9 79 - 11 - 2795/3.5=2, 2795/3.5=2 HB ILE 89 - HE3 LYS 13 lone 9 91 - 10 - 3609/3.8=2, 3609/3.8=2 HB2 LYS 85 - HE3 LYS 13 poor 9 70 - 13 - HB ILE 89 - HE2 LYS 13 lone 9 90 - 10 - 3609/3.8=2, 3609/3.8=2 HB2 LYS 85 - HE2 LYS 13 poor 9 69 - 13 - HB3 ARG 84 - HE2 LYS 73 lone 7 83 - 8 - HB3 ARG 84 - HE3 LYS 73 lone 7 83 - 8 - HB2 ARG 69 - HE3 LYS 73 lone 7 83 - 8 - 2797/3.7=1, 2990/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 7 83 - 8 - 2797/3.7=1, 2990/3.7=1 HB ILE 89 - HE3 LYS 75 lone 5 99 - 5 - HB ILE 89 - HE2 LYS 75 lone 5 99 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 4 83 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 4 83 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 3 83 - 4 - HB2 ARG 23 - HE3 LYS 75 lone 3 71 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 3 83 - 4 - HB2 ARG 23 - HE2 LYS 75 lone 3 70 - 4 - HB3 ARG 23 - HE3 LYS 75 lone 3 68 - 4 - HB3 ARG 23 - HE2 LYS 75 lone 3 68 - 4 - HB2 ARG 17 - HE2 LYS 73 lone 3 89 - 3 - HB2 ARG 17 - HE3 LYS 73 lone 3 89 - 3 - HB3 ARG 84 - HE2 LYS 32 lone 3 83 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 3 83 - 3 - HB2 ARG 69 - HE3 LYS 13 lone 3 70 - 4 - HB2 ARG 69 - HE2 LYS 13 lone 3 69 - 4 - HB ILE 89 - HE2 LYS 39 lone 2 73 - 3 - HB2 ARG 17 - HE2 LYS 32 lone 2 89 - 2 - HB2 ARG 17 - HE3 LYS 32 lone 2 89 - 2 - HB2 LYS 85 - HE2 LYS 39 lone 2 54 - 4 - HB2 ARG 23 - HE2 LYS 39 lone 2 46 - 5 - HB ILE 89 - HE3 LYS 39 lone 2 68 - 3 - HB3 ARG 23 - HE2 LYS 39 lone 2 45 - 4 - HB2 LYS 85 - HE3 LYS 39 lone 2 50 - 4 - HB2 ARG 23 - HE3 LYS 39 lone 2 43 - 5 - HB2 ARG 69 - HE2 LYS 39 lone 2 54 - 4 - HB3 ARG 23 - HE3 LYS 39 lone 2 41 - 5 - HB2 ARG 69 - HE3 LYS 39 lone 2 50 - 4 - HB ILE 89 - HE2 LYS 32 lone 1 100 - 1 - HB ILE 89 - HE3 LYS 32 lone 1 100 - 1 - HB2 ARG 23 - HE3 LYS 13 lone 1 61 - 2 - HB2 ARG 23 - HE2 LYS 13 lone 1 60 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 80 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 79 - 2 - HB3 ARG 23 - HE3 LYS 13 lone 1 59 - 2 - HB3 ARG 23 - HE2 LYS 13 lone 1 58 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 1 73 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 1 73 - 2 - HB3 ARG 23 - HE2 LYS 73 lone 1 71 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 54 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 50 - 2 - HB2 ARG 17 - HE3 LYS 75 lone 1 86 - 1 - HB2 ARG 17 - HE2 LYS 75 lone 1 85 - 1 - HB2 ARG 17 - HE2 LYS 39 lone 1 59 - 1 - HB2 ARG 23 - HE2 LYS 32 lone 1 73 - 1 - HB2 ARG 23 - HE3 LYS 32 lone 1 73 - 1 - HB2 ARG 17 - HE3 LYS 39 lone 1 54 - 1 - HB3 ARG 84 - HE3 LYS 13 lone 1 70 - 1 - HB3 ARG 23 - HE2 LYS 32 lone 1 71 - 1 - HB3 ARG 23 - HE3 LYS 32 lone 1 71 - 1 - HB3 ARG 84 - HE2 LYS 13 lone 1 69 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 76 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 75 - 1 - Peak 3031 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 11 out of 180 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB2 LYS 32 + HE2 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB3 LYS 32 + HE3 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB2 LYS 32 + HE3 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB3 LYS 73 + HE3 LYS 73 OK 56 100 - 56 - 4.7=39, 2.9/3042=3...(14) * HB3 LYS 73 + HE2 LYS 73 OK 56 100 - 56 - 4.7=39, 2.9/3042=3...(14) HB3 LYS 75 + HE3 LYS 75 OK 56 95 - 59 - 5.0=33, 3092/2.9=3...(22) HB3 LYS 75 + HE2 LYS 75 OK 56 95 - 59 - 5.0=33, 3092/2.9=3...(22) HB2 LYS 13 + HE3 LYS 13 OK 47 84 - 56 - 5.2=28, 1005/2.9=3...(23) HB3 LYS 39 + HE2 LYS 39 OK 46 72 - 64 - 4.7=39, ~1879=3, ~1869=3...(24) HB2 LYS 13 + HE2 LYS 13 OK 46 82 - 56 - 5.2=28, 1005/2.9=3...(23) HB3 LYS 39 - HE3 LYS 39 OK 43 67 - 64 - 4.7=39, ~1879=3, ~1869=3...(24) HB3 LYS 39 - HE3 LYS 75 OK 39 98 - 40 - 2.9/1870=2, 2.9/1880=2...(20) HB3 LYS 39 - HE2 LYS 75 OK 38 98 - 40 - 2.9/1870=2, 2.9/1880=2...(19) HB2 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB2 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 73 - HE3 LYS 75 OK 32 99 - 33 - 2.9/6146=2, 2.9/3042=1 HB3 LYS 73 - HE2 LYS 75 OK 32 99 - 33 - 2.9/6146=2, 2.9/3042=1 HB2 LYS 13 - HE3 LYS 75 OK 30 93 - 32 - 3.0/1028=2, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 29 93 - 32 - 3.0/1028=2, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 27 86 - 31 - 1021/3.8=2, ~3073=1...(9) HB3 LYS 75 - HE2 LYS 13 OK 26 85 - 31 - 1021/3.8=2, ~3073=1...(9) HB3 LYS 73 - HE2 LYS 32 OK 25 100 - 25 - 1596/3.9=1, 1586/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 25 100 - 25 - 1597/3.9=1, 1587/3.9=1 HB3 LYS 75 - HE3 LYS 73 OK 23 97 - 23 - 2982/3.7=1 HB3 LYS 75 - HE2 LYS 73 OK 23 97 - 23 - 2982/3.7=1 HB3 LYS 39 - HE3 LYS 13 OK 22 90 - 25 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE2 LYS 13 OK 22 89 - 25 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 21 100 - 21 - HB3 LYS 39 - HE2 LYS 73 OK 21 100 - 21 - HB3 LYS 73 - HE3 LYS 13 OK 20 91 - 21 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 20 68 - 29 - 1865/3.6=3, 1875/3.6=2...(7) HB3 LYS 73 - HE2 LYS 13 OK 19 90 - 21 - 1021/3.8=2 HB3 LYS 75 - HE3 LYS 39 OK 18 63 - 29 - 1865/3.6=3, 1875/3.6=2...(7) HB3 LYS 39 - HE2 LYS 32 OK 17 100 - 17 - HB3 LYS 39 - HE3 LYS 32 OK 17 100 - 17 - HB2 PRO 34 - HE2 LYS 32 OK 14 100 - 14 - 2.3/4863=2, 2.3/5567=1...(6) HB2 PRO 34 - HE3 LYS 32 OK 14 100 - 14 - 2.3/4863=2, 2.3/5567=1...(6) HB2 LYS 32 - HE3 LYS 75 OK 14 99 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 14 99 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HG2 PRO 34 - HE2 LYS 32 OK 13 87 - 15 - 4863/1.8=2, 1.8/5567=1...(6) HG2 PRO 34 - HE3 LYS 32 OK 13 87 - 15 - 4863/1.8=2, 1.8/5567=1...(6) HB2 ARG 54 - HE2 LYS 32 OK 13 96 - 13 - 2311/3.9=2, 1587/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 13 96 - 13 - 2311/3.9=2, 1587/3.9=2 HB2 LYS 85 - HE3 LYS 75 OK 12 68 - 18 - HB3 LYS 75 - HE2 LYS 32 OK 12 97 - 12 - HB3 LYS 75 - HE3 LYS 32 OK 12 97 - 12 - HB2 LYS 85 - HE2 LYS 75 OK 12 68 - 18 - HB2 ARG 54 - HE2 LYS 39 OK 12 66 - 18 - 2310/3.6=3, 2312/3.0=2...(4) HB3 LYS 32 - HE2 LYS 39 OK 11 73 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 11 73 - 15 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 11 73 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 13 - HE3 LYS 73 OK 11 96 - 11 - HB2 LYS 13 - HE2 LYS 73 OK 11 96 - 11 - HB2 ARG 54 - HE3 LYS 39 OK 11 61 - 18 - 2310/3.6=3, 2312/3.0=2...(4) HB2 LYS 32 - HE3 LYS 39 OK 10 67 - 15 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 10 67 - 15 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE3 LYS 39 OK 10 68 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LEU 57 - HE3 LYS 73 poor 10 97 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 73 poor 10 97 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 9 97 - 9 - 3.1/4604=1 HB2 LEU 57 - HE3 LYS 32 lone 9 97 - 9 - 3.1/4604=1 HB3 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB2 LYS 32 - HE3 LYS 13 lone 9 90 - 9 - HB2 LYS 32 - HE2 LYS 13 lone 8 89 - 9 - HB3 LYS 32 - HE2 LYS 13 lone 8 89 - 9 - HB2 LYS 85 - HE3 LYS 13 poor 8 59 - 14 - 1021/3.8=2 HB2 LYS 85 - HE3 LYS 73 poor 8 71 - 12 - HB2 LYS 85 - HE2 LYS 73 poor 8 71 - 12 - HB2 LYS 85 - HE2 LYS 13 poor 8 58 - 14 - 1021/3.8=2 HB2 LYS 13 - HE2 LYS 39 poor 8 66 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 69 - HE3 LYS 75 poor 8 68 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 poor 8 68 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE3 LYS 39 poor 7 61 - 12 - 1875/3.6=1, 1865/3.6=1 HB ILE 33 - HE2 LYS 32 lone 7 98 - 7 - 4219/3.9=2, 1587/3.9=1 HB ILE 33 - HE3 LYS 32 lone 7 98 - 7 - 4219/3.9=2, 1587/3.9=1 HB2 PRO 34 - HE2 LYS 39 lone 7 73 - 9 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE3 LYS 13 lone 6 85 - 7 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 13 lone 6 84 - 7 - HB2 PRO 34 - HE3 LYS 39 lone 6 68 - 9 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 LYS 13 - HE2 LYS 32 lone 6 96 - 6 - HB2 LYS 13 - HE3 LYS 32 lone 6 96 - 6 - HG3 ARG 71 - HE2 LYS 32 lone 6 68 - 8 - HG3 ARG 71 - HE3 LYS 32 lone 6 68 - 8 - HB ILE 33 - HE3 LYS 13 lone 6 87 - 7 - 1655/3.8=1, 1021/3.8=1 HB2 LYS 83 - HE3 LYS 75 lone 6 99 - 6 - HB ILE 33 - HE2 LYS 13 lone 6 86 - 6 - 1655/3.8=1, 1021/3.8=1 HB2 LYS 83 - HE2 LYS 75 lone 6 98 - 6 - HB2 LEU 57 - HE3 LYS 75 lone 6 94 - 6 - HB2 LEU 57 - HE2 LYS 75 lone 6 94 - 6 - HG2 PRO 34 - HE2 LYS 39 lone 5 57 - 10 - 1723/4.7=1, ~5209=1, 1865/3.6=1 HB2 PRO 34 - HE3 LYS 73 lone 5 100 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 5 100 - 5 - HG2 PRO 34 - HE3 LYS 39 lone 5 53 - 10 - 1723/4.7=1, ~5209=1, 1865/3.6=1 HG2 PRO 34 - HE3 LYS 73 lone 5 87 - 5 - HG2 PRO 34 - HE2 LYS 73 lone 5 87 - 5 - HB3 ARG 84 - HE2 LYS 73 lone 4 71 - 6 - HB3 ARG 84 - HE3 LYS 73 lone 4 71 - 6 - HB2 ARG 69 - HE3 LYS 73 lone 4 71 - 6 - 2797/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 4 71 - 6 - 2797/3.7=1 HB2 LEU 57 - HE2 LYS 39 lone 4 67 - 6 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 96 - 4 - HB2 ARG 54 - HE2 LYS 73 lone 4 96 - 4 - HB2 LEU 57 - HE3 LYS 39 lone 4 62 - 6 - 4982/3.6=1 HG3 ARG 71 - HE2 LYS 73 lone 4 68 - 6 - HG3 ARG 71 - HE3 LYS 73 lone 4 68 - 6 - HB2 LYS 83 - HE3 LYS 73 lone 4 100 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 4 100 - 4 - HB2 ARG 54 - HE3 LYS 75 lone 3 93 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 3 93 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 99 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 90 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 99 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 3 96 - 3 - HB3 ARG 82 - HE2 LYS 73 lone 3 96 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 89 - 3 - HB2 ARG 69 - HE3 LYS 13 lone 3 59 - 5 - HB2 ARG 69 - HE2 LYS 13 lone 3 58 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 3 71 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 3 71 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 84 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 83 - 3 - HB2 LYS 83 - HE2 LYS 39 lone 3 73 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 3 71 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 2 71 - 3 - HB3 ARG 84 - HE2 LYS 32 lone 2 71 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 2 71 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 2 66 - 4 - HB2 PRO 34 - HE3 LYS 13 lone 2 91 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 2 67 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 2 90 - 3 - HB2 LYS 85 - HE2 LYS 39 lone 2 45 - 5 - HB3 ARG 82 - HE2 LYS 32 lone 2 96 - 2 - HB3 ARG 82 - HE3 LYS 32 lone 2 96 - 2 - HB ILE 33 - HE3 LYS 73 lone 2 98 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 98 - 2 - HB ILE 33 - HE3 LYS 75 lone 2 96 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 96 - 2 - HB3 ARG 82 - HE3 LYS 39 lone 2 61 - 3 - HB2 LYS 85 - HE3 LYS 39 lone 2 41 - 5 - HB2 ARG 69 - HE2 LYS 39 lone 2 45 - 4 - HB ILE 33 - HE2 LYS 39 lone 2 69 - 3 - HB2 ARG 69 - HE3 LYS 39 lone 2 41 - 4 - HB ILE 33 - HE3 LYS 39 lone 2 64 - 3 - HG3 ARG 26 - HE2 LYS 32 lone 2 60 - 3 - HG3 ARG 26 - HE3 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HE2 LYS 32 lone 2 100 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 100 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 2 74 - 2 - HG3 ARG 71 - HE3 LYS 75 lone 2 66 - 2 - HG3 ARG 71 - HE2 LYS 75 lone 2 65 - 2 - HG2 PRO 34 - HE2 LYS 13 lone 2 73 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 2 84 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 93 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 93 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 82 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 84 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 68 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 45 - 3 - HB3 ARG 82 - HE2 LYS 13 lone 1 82 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 68 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 41 - 3 - HG3 ARG 26 - HE2 LYS 73 lone 1 60 - 2 - HG3 ARG 26 - HE3 LYS 73 lone 1 60 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 59 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 58 - 2 - HG3 ARG 71 - HE2 LYS 39 lone 0 43 - 1 - HG3 ARG 71 - HE3 LYS 13 lone 0 57 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 0 55 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 0 39 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 58 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 57 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 49 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 48 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 37 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 34 - 1 - Peak 3032 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.55 A): 4 out of 60 assignments used, quality = 1.00: HG2 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 3.7=88, 789/7.3=3...(17) * HG2 LYS 73 + HE2 LYS 73 OK 92 100 - 92 - 3.7=88, 789/7.3=3...(17) HG3 LYS 13 + HE3 LYS 13 OK 59 66 - 90 - 3.8=81, 1035/2.9=5...(25) HG3 LYS 13 + HE2 LYS 13 OK 58 65 - 90 - 3.8=81, 1035/2.9=5...(25) HG2 LYS 73 - HE3 LYS 75 OK 41 99 - 42 - 1.8/6146=2, 2997=2...(10) HG2 LYS 73 - HE2 LYS 75 OK 41 99 - 42 - 1.8/6146=2, 2997=2...(10) HG2 LYS 73 - HE2 LYS 32 OK 29 100 - 30 - 2994/3.0=2, 2994/3.0=2...(6) HG2 LYS 73 - HE3 LYS 32 OK 29 100 - 30 - 2994/3.0=2, 2994/3.0=2...(6) HG3 LYS 13 - HE3 LYS 75 OK 29 76 - 38 - 1.8/1028=3, ~1028=2...(14) HG3 LYS 13 - HE2 LYS 75 OK 29 75 - 38 - 1.8/1028=3, ~1028=2...(14) HG2 LYS 73 - HE3 LYS 13 OK 23 91 - 25 - 1.8/6146=1, 2996=1, 2996/1.8=1 HG2 LYS 73 - HE2 LYS 13 OK 23 90 - 25 - 1.8/6146=1, 2996=1, 2996/1.8=1 HG3 LYS 85 - HE3 LYS 75 OK 13 68 - 20 - 1.8/6146=1 HG3 LYS 85 - HE2 LYS 75 OK 13 68 - 20 - 1.8/6146=1 HB3 LEU 57 - HE3 LYS 73 OK 12 97 - 13 - 3.8/5745=2, 3.1/4604=1 HB3 LEU 57 - HE2 LYS 73 OK 12 97 - 13 - 3.8/5745=2, 3.1/4604=1 HG3 LYS 13 - HE3 LYS 73 OK 12 78 - 15 - 1.8/1028=1, 2972/4.7=1 HG3 LYS 13 - HE2 LYS 73 OK 12 78 - 15 - 1.8/1028=1, 2972/4.7=1 HG3 LYS 85 - HE2 LYS 73 OK 12 71 - 17 - 2972/4.7=1, 2995/3.0=1 HG3 LYS 85 - HE3 LYS 73 OK 12 71 - 17 - 2972/4.7=1, 2995/3.0=1 HG2 LYS 73 - HE2 LYS 39 OK 12 73 - 16 - HG2 LYS 73 - HE3 LYS 39 OK 11 68 - 16 - HB3 LEU 57 - HE2 LYS 32 poor 10 97 - 10 - 3.1/4604=2, ~4604=1 HB3 LEU 57 - HE3 LYS 32 poor 10 97 - 10 - 3.1/4604=2, ~4604=1 HG3 LYS 85 - HE3 LYS 13 poor 9 59 - 15 - 1033/3.8=1 HG3 LYS 85 - HE2 LYS 13 poor 9 58 - 15 - 1033/3.8=1 HB3 LEU 52 - HE2 LYS 32 lone 7 100 - 7 - 2267/3.9=2 HB3 LEU 52 - HE3 LYS 32 lone 7 100 - 7 - 2267/3.9=2 HB3 LEU 57 - HE3 LYS 13 lone 6 86 - 7 - 3.1/4604=1 HB3 LEU 57 - HE3 LYS 75 lone 6 95 - 7 - 3.1/4604=1 HB3 LEU 57 - HE2 LYS 75 lone 6 95 - 7 - HB3 LEU 57 - HE2 LYS 13 lone 6 85 - 7 - 3.1/4604=1 HG3 LYS 13 - HE2 LYS 39 poor 6 50 - 12 - 1.8/1028=1 HG3 LYS 13 - HE2 LYS 32 lone 6 78 - 7 - HG3 LYS 13 - HE3 LYS 32 lone 6 78 - 7 - HG3 LYS 13 - HE3 LYS 39 poor 6 46 - 12 - 1.8/1027=1 HB3 LEU 52 - HE3 LYS 73 lone 6 100 - 5 - HB3 LEU 52 - HE2 LYS 73 lone 6 100 - 5 - QB ALA 63 - HE2 LYS 73 lone 5 99 - 5 - QB ALA 63 - HE3 LYS 73 lone 5 99 - 5 - HB3 LEU 57 - HE2 LYS 39 lone 4 68 - 6 - HB3 LEU 57 - HE3 LYS 39 lone 4 63 - 6 - HG3 LYS 85 - HE2 LYS 32 lone 4 71 - 5 - HG3 LYS 85 - HE3 LYS 32 lone 4 71 - 5 - HB3 LEU 52 - HE3 LYS 13 lone 2 90 - 3 - HB3 LEU 52 - HE2 LYS 13 lone 2 89 - 3 - HG3 LYS 85 - HE2 LYS 39 lone 2 45 - 4 - HG3 LYS 85 - HE3 LYS 39 lone 2 41 - 4 - QB ALA 63 - HE3 LYS 75 lone 2 97 - 2 - QB ALA 63 - HE2 LYS 75 lone 2 96 - 2 - QB ALA 63 - HE2 LYS 39 lone 2 70 - 2 - QB ALA 63 - HE2 LYS 32 lone 2 99 - 2 - QB ALA 63 - HE3 LYS 32 lone 2 99 - 2 - HB3 LEU 52 - HE2 LYS 39 lone 2 72 - 2 - QB ALA 63 - HE3 LYS 39 lone 2 65 - 2 - HB3 LEU 52 - HE3 LYS 75 lone 1 98 - 1 - HB3 LEU 52 - HE2 LYS 75 lone 1 98 - 1 - HB3 LEU 52 - HE3 LYS 39 lone 1 67 - 2 - QB ALA 63 - HE3 LYS 13 lone 1 88 - 1 - QB ALA 63 - HE2 LYS 13 lone 1 87 - 1 - Peak 3033 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.25 A): 8 out of 130 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3135=3...(25) HG2 LYS 75 + HE3 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3135=3...(25) HG2 LYS 75 + HE2 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3125=3...(25) HG3 LYS 75 + HE2 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3125=3...(25) HG3 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 3.7=68, 2.9/1631=2...(10) * HG3 LYS 73 + HE2 LYS 73 OK 77 100 - 77 - 3.7=68, 2.9/1631=2...(10) HG3 LYS 39 + HE2 LYS 39 OK 51 59 - 87 - 3.6=75, 1879/3.0=7...(14) HG3 LYS 39 + HE3 LYS 39 OK 47 54 - 87 - 3.6=75, 1879/3.0=7...(13) HG3 LYS 39 - HE3 LYS 75 OK 33 86 - 38 - 1880/1.8=2, 1874/5.0=2...(11) HG3 LYS 73 - HE3 LYS 75 OK 32 99 - 33 - 6146=2, 6146/1.8=2...(4) HG3 LYS 73 - HE2 LYS 75 OK 32 99 - 33 - 6146=2, 6146/1.8=2...(4) HG3 LYS 39 - HE2 LYS 75 OK 32 85 - 38 - 1880/1.8=2, 1874/5.0=2...(11) HG3 LYS 75 - HE3 LYS 13 OK 28 91 - 31 - 3102/2.9=1, 3113/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 28 91 - 31 - 3102/2.9=1, 3113/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 27 90 - 31 - 3102/2.9=1, 3113/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 90 - 31 - 3102/2.9=1, 3113/2.9=1 HG3 LYS 75 - HE3 LYS 73 OK 27 100 - 28 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 73 OK 27 100 - 28 - 2993/3.7=1 HG2 LYS 75 - HE2 LYS 73 OK 27 100 - 27 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 27 100 - 27 - 2993/3.7=1 HG3 LYS 73 - HE2 LYS 32 OK 24 100 - 24 - 6146=1, 3005/3.0=1...(4) HG3 LYS 73 - HE3 LYS 32 OK 23 100 - 24 - 6146=1, 6146/1.8=1...(4) HG3 LYS 75 - HE2 LYS 39 OK 22 73 - 30 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE2 LYS 39 OK 22 73 - 30 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 20 68 - 30 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE3 LYS 39 OK 20 68 - 30 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 39 - HE3 LYS 73 OK 19 89 - 21 - 1880/1.8=1 HG3 LYS 39 - HE2 LYS 73 OK 18 89 - 21 - 1880/1.8=1 HG3 LYS 73 - HE3 LYS 13 OK 18 91 - 20 - HG3 LYS 73 - HE2 LYS 13 OK 18 90 - 20 - HG3 LYS 39 - HE3 LYS 13 OK 16 76 - 22 - 1881/1.8=2, ~1871=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 16 75 - 22 - 1881/1.8=2, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 32 OK 15 89 - 17 - HG3 LYS 39 - HE3 LYS 32 OK 15 89 - 17 - HG2 LYS 85 - HE3 LYS 75 OK 15 95 - 15 - HG2 LYS 85 - HE2 LYS 75 OK 15 95 - 15 - HG3 LYS 75 - HE2 LYS 32 OK 14 100 - 14 - HG2 LYS 75 - HE2 LYS 32 OK 14 100 - 14 - HG3 LYS 75 - HE3 LYS 32 OK 14 100 - 14 - HG2 LYS 75 - HE3 LYS 32 OK 14 100 - 14 - HG2 LYS 85 - HE3 LYS 73 OK 13 97 - 13 - HG2 LYS 85 - HE2 LYS 73 OK 13 97 - 13 - HB3 ARG 69 - HE3 LYS 75 OK 11 97 - 12 - 2802/5.0=1, ~2795=1, ~2797=1 HB3 ARG 69 - HE2 LYS 75 OK 11 97 - 12 - 2802/5.0=1, ~2795=1, ~2797=1 HG3 LYS 73 - HE2 LYS 39 poor 10 73 - 13 - 1867/3.6=1 HG3 LYS 73 - HE3 LYS 39 poor 9 68 - 14 - 1867/3.6=1 HG2 LYS 85 - HE3 LYS 13 poor 9 86 - 11 - HG3 ARG 69 - HE3 LYS 75 lone 9 94 - 10 - 2818/5.0=1 HG3 ARG 69 - HE2 LYS 75 lone 9 94 - 10 - 2818/5.0=1 HG2 LYS 85 - HE2 LYS 13 poor 9 85 - 11 - HB3 ARG 69 - HE2 LYS 73 lone 8 99 - 8 - 2802/4.7=1, 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 8 99 - 8 - 2802/4.7=1, 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 7 97 - 7 - 2818/4.7=1, 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 7 97 - 7 - 2818/4.7=1, 2818/4.7=1 HB3 ARG 69 - HE2 LYS 32 lone 4 99 - 4 - HB3 ARG 69 - HE3 LYS 32 lone 4 99 - 4 - HG2 LYS 85 - HE2 LYS 32 lone 4 97 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 4 97 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 4 97 - 4 - HG3 ARG 69 - HE3 LYS 32 lone 4 97 - 4 - QB ALA 77 - HE3 LYS 75 lone 4 93 - 4 - QB ALA 77 - HE2 LYS 75 lone 4 93 - 4 - QB ALA 53 - HE2 LYS 73 lone 3 100 - 3 - QB ALA 53 - HE3 LYS 73 lone 3 100 - 3 - HB3 ARG 69 - HE2 LYS 39 lone 3 71 - 5 - HG2 LYS 83 - HE3 LYS 75 lone 3 82 - 4 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 3 66 - 5 - HB3 ARG 69 - HE3 LYS 13 lone 3 89 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 87 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 99 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 99 - 3 - QB ALA 78 - HE3 LYS 73 lone 3 100 - 3 - QB ALA 78 - HE2 LYS 73 lone 3 100 - 3 - QB ALA 53 - HE2 LYS 39 lone 3 72 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 2 68 - 4 - HG2 LYS 83 - HE3 LYS 73 lone 2 85 - 3 - HG2 LYS 83 - HE2 LYS 73 lone 2 85 - 3 - HG3 ARG 69 - HE3 LYS 13 lone 2 85 - 3 - HG3 ARG 69 - HE2 LYS 13 lone 2 84 - 3 - QB ALA 53 - HE3 LYS 39 lone 2 67 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 2 63 - 4 - HG3 ARG 69 - HE2 LYS 39 lone 2 67 - 3 - QB ALA 53 - HE2 LYS 32 lone 2 100 - 2 - QB ALA 53 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 69 - HE3 LYS 39 lone 2 62 - 3 - QB ALA 77 - HE2 LYS 73 lone 2 96 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 96 - 2 - QB ALA 53 - HE3 LYS 75 lone 2 98 - 2 - QB ALA 53 - HE2 LYS 75 lone 2 98 - 2 - QB ALA 20 - HE3 LYS 75 lone 1 95 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 95 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 72 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 71 - 2 - QB ALA 78 - HE2 LYS 39 lone 1 73 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 68 - 2 - HG2 LYS 83 - HE2 LYS 32 lone 1 85 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 85 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 100 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 100 - 1 - HG2 LYS 83 - HE2 LYS 39 lone 1 56 - 2 - QB ALA 78 - HE3 LYS 13 lone 1 91 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 90 - 1 - QB ALA 20 - HE2 LYS 73 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 97 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 51 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 66 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 84 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 82 - 1 - QB ALA 77 - HE3 LYS 39 lone 1 61 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 96 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 96 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 68 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 63 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 90 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 89 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 86 - 1 - QB ALA 20 - HE2 LYS 13 lone 1 85 - 1 - QB ALA 16 - HE2 LYS 73 lone 0 63 - 1 - QB ALA 16 - HE3 LYS 73 lone 0 63 - 1 - QB ALA 16 - HE2 LYS 32 lone 0 63 - 0 - QB ALA 16 - HE3 LYS 32 lone 0 63 - 0 - QB ALA 16 - HE3 LYS 75 lone 0 60 - 0 - QB ALA 16 - HE2 LYS 75 lone 0 60 - 0 - QB ALA 16 - HE3 LYS 13 lone 0 52 - 0 - QB ALA 16 - HE2 LYS 13 lone 0 51 - 0 - QB ALA 16 - HE2 LYS 39 lone 0 39 - 0 - QB ALA 16 - HE3 LYS 39 lone 0 36 - 0 - Peak 3034 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 * HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 31 41 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 27 36 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 10 63 - 15 - HD2 LYS 39 - HE2 LYS 75 poor 9 62 - 15 - HD3 LYS 39 - HE3 LYS 75 poor 9 60 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 60 - 16 - HB3 LEU 51 - HE2 LYS 39 poor 9 67 - 14 - ~6088=2, ~4948=2...(6) HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD2 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD2 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 9 99 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 9 62 - 14 - ~6088=2, ~4948=2...(6) HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD2 LYS 39 - HE3 LYS 13 lone 5 54 - 9 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD2 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 53 - 9 - HD3 LYS 39 - HE3 LYS 13 lone 5 52 - 9 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD3 LYS 39 - HE2 LYS 13 lone 5 51 - 9 - HD3 LYS 32 - HE3 LYS 39 lone 4 68 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 32 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD2 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 6 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HD2 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HB2 LEU 86 - HE2 LYS 39 lone 3 73 - 4 - HB3 LEU 51 - HE3 LYS 73 lone 3 97 - 3 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HG LEU 86 - HE2 LYS 39 lone 3 66 - 5 - HB2 LEU 86 - HE3 LYS 39 lone 3 67 - 4 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 61 - 5 - HB3 LEU 51 - HE3 LYS 75 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 94 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 97 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 50 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 46 - 3 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 71 - HE3 LYS 75 lone 1 96 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 96 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 85 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 84 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 93 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 97 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 98 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 81 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 84 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 82 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 90 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 89 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 76 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 75 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 69 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 0 64 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 66 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 65 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 70 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 69 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 78 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 77 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 65 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE3 LYS 39 lone 0 64 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 75 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 86 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 91 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 90 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 94 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 94 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 88 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 73 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 87 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 86 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 68 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 85 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 84 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 68 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 67 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 66 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 65 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 52 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 67 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 50 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 62 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 48 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 46 - 0 - Peak 3035 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 * HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 31 41 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 27 36 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 10 63 - 15 - HD2 LYS 39 - HE2 LYS 75 poor 9 62 - 15 - HD3 LYS 39 - HE3 LYS 75 poor 9 60 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 60 - 16 - HB3 LEU 51 - HE2 LYS 39 poor 9 67 - 14 - ~6088=2, ~4948=2...(6) HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD2 LYS 73 - HE3 LYS 13 lone 9 91 - 10 - HD3 LYS 32 - HE2 LYS 75 lone 9 99 - 9 - HD2 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 9 90 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 9 99 - 8 - HD2 LYS 32 - HE2 LYS 75 lone 9 99 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 9 62 - 14 - ~6088=2, ~4948=2...(6) HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD2 LYS 39 - HE3 LYS 13 lone 5 54 - 9 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD2 LYS 32 - HE2 LYS 39 lone 5 73 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 53 - 9 - HD3 LYS 39 - HE3 LYS 13 lone 5 52 - 9 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD3 LYS 39 - HE2 LYS 13 lone 5 51 - 9 - HD3 LYS 32 - HE3 LYS 39 lone 4 68 - 7 - HD3 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 32 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 32 - HE3 LYS 13 lone 4 91 - 5 - HD2 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 73 - 6 - HD2 LYS 32 - HE2 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 6 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HD2 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HD3 LYS 73 - HE3 LYS 39 lone 4 68 - 6 - HB2 LEU 86 - HE2 LYS 39 lone 3 73 - 4 - HB3 LEU 51 - HE3 LYS 73 lone 3 97 - 3 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HG LEU 86 - HE2 LYS 39 lone 3 66 - 5 - HB2 LEU 86 - HE3 LYS 39 lone 3 67 - 4 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 61 - 5 - HB3 LEU 51 - HE3 LYS 75 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 94 - 3 - HG2 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 89 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 97 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 50 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 46 - 3 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 71 - HE3 LYS 75 lone 1 96 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 96 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 85 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 84 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 93 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 97 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 99 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 98 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 99 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 81 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 84 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 82 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 59 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 90 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 89 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 54 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 86 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 85 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 76 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 75 - 1 - HG2 ARG 71 - HE2 LYS 39 lone 1 69 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 97 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE3 LYS 39 lone 0 64 - 1 - HB3 LEU 62 - HE3 LYS 13 lone 0 66 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 65 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 70 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 69 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 78 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 77 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 65 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE3 LYS 39 lone 0 64 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE3 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 75 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 86 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE3 LYS 13 lone 0 76 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 75 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 91 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 90 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 94 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 94 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 88 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 73 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 87 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 86 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 68 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 85 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 84 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 68 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 67 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 66 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 65 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 52 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 67 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 50 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 62 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 48 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 46 - 0 - Peak 3036 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 * HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 97 97 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 13 + HE3 LYS 13 OK 82 82 - 100 HE2 LYS 13 + HE2 LYS 13 OK 80 80 - 100 HE2 LYS 39 + HE2 LYS 39 OK 46 46 - 100 HE3 LYS 39 - HE3 LYS 39 OK 39 39 - 100 Peak 3037 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 97 97 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 13 + HE3 LYS 13 OK 81 81 - 100 HE2 LYS 13 + HE2 LYS 13 OK 78 78 - 100 HE2 LYS 39 - HE2 LYS 39 OK 45 45 - 100 HE3 LYS 39 - HE3 LYS 39 OK 37 37 - 100 Reference assignment not found: HE3 LYS 73 - HE2 LYS 73 Peak 3040 from cnoeabs.peaks (1.82, 2.95, 41.78 ppm; 3.52 A): 4 out of 90 assignments used, quality = 0.97: * HB2 LYS 73 + HE3 LYS 73 OK 65 100 - 65 - 4.7=42, 3020/3.0=4...(13) HB2 LYS 73 + HE2 LYS 73 OK 65 100 - 65 - 4.7=42, 3010/3.0=4...(12) HB2 LYS 75 + HE3 LYS 75 OK 49 79 - 62 - 5.0=36, 3118/2.9=3...(27) HB2 LYS 75 + HE2 LYS 75 OK 49 78 - 62 - 5.0=36, 3118/2.9=3...(27) HB2 LYS 73 - HE3 LYS 75 OK 35 99 - 36 - 2.9/6146=2, 2973/3.5=1...(7) HB2 LYS 73 - HE2 LYS 75 OK 35 98 - 36 - 2.9/6146=2, 2973/3.5=1...(7) HB2 LYS 73 - HE2 LYS 32 OK 27 100 - 27 - 3010/3.0=2, 3020/3.0=2 HB2 LYS 73 - HE3 LYS 32 OK 27 100 - 27 - 3020/3.0=2, 3010/3.0=2 HB2 LYS 75 - HE3 LYS 13 OK 21 69 - 31 - ~3073=1, ~3072=1...(6) HB2 LYS 75 - HE2 LYS 13 OK 20 67 - 31 - ~3073=1, ~3072=1...(6) HB2 LYS 73 - HE3 LYS 13 OK 20 90 - 22 - 2972/3.8=1 HB2 LYS 75 - HE3 LYS 73 OK 20 83 - 24 - 2972/3.7=2, 3010/3.0=1...(4) HB2 LYS 75 - HE2 LYS 73 OK 20 83 - 24 - 2972/3.7=2, 3010/3.0=1...(4) HB2 LYS 73 - HE2 LYS 13 OK 20 88 - 22 - 2972/3.8=1 HB2 LYS 85 - HE3 LYS 75 OK 15 79 - 19 - HB2 LYS 85 - HE2 LYS 75 OK 14 78 - 19 - HB2 LYS 85 - HE3 LYS 73 OK 13 83 - 16 - 2972/3.7=2 HB2 LYS 85 - HE2 LYS 73 OK 13 83 - 16 - 2972/3.7=2 HB2 LYS 75 - HE2 LYS 39 OK 13 52 - 25 - 1846/3.6=2, 3.0/3075=1 HB2 LYS 75 - HE3 LYS 39 OK 12 47 - 25 - 1846/3.6=2, 3.0/3075=1 HB ILE 89 - HE3 LYS 73 OK 11 100 - 11 - 3605/6.1=2, 2990/3.7=2 HB ILE 89 - HE2 LYS 73 OK 11 100 - 11 - 3605/6.1=2, 2990/3.7=2 HB2 LYS 73 - HE2 LYS 39 OK 10 71 - 14 - HB2 LYS 75 - HE2 LYS 32 poor 10 83 - 12 - HB2 LYS 75 - HE3 LYS 32 poor 10 83 - 12 - HB2 LYS 73 - HE3 LYS 39 poor 9 65 - 14 - HB2 ARG 69 - HE3 LYS 75 poor 9 79 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 poor 9 78 - 11 - 2795/3.5=2, 2795/3.5=2 HB ILE 89 - HE3 LYS 13 lone 9 90 - 10 - 3609/3.8=2, 3609/3.8=2 HB2 LYS 85 - HE3 LYS 13 poor 9 69 - 13 - HB ILE 89 - HE2 LYS 13 lone 9 88 - 10 - 3609/3.8=2, 3609/3.8=2 HB2 LYS 85 - HE2 LYS 13 poor 8 67 - 13 - HB3 ARG 84 - HE3 LYS 73 lone 7 83 - 8 - HB3 ARG 84 - HE2 LYS 73 lone 7 83 - 8 - HB2 ARG 69 - HE3 LYS 73 lone 7 83 - 8 - 2797/3.7=1, 2990/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 7 83 - 8 - 2797/3.7=1, 2990/3.7=1 HB ILE 89 - HE3 LYS 75 lone 5 99 - 5 - HB ILE 89 - HE2 LYS 75 lone 5 98 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 4 83 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 4 83 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 3 83 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 3 83 - 4 - HB2 ARG 23 - HE3 LYS 75 lone 3 70 - 4 - HB2 ARG 23 - HE2 LYS 75 lone 3 69 - 4 - HB3 ARG 23 - HE3 LYS 75 lone 3 68 - 4 - HB3 ARG 23 - HE2 LYS 75 lone 3 67 - 4 - HB2 ARG 17 - HE3 LYS 73 lone 3 89 - 3 - HB2 ARG 17 - HE2 LYS 73 lone 3 89 - 3 - HB3 ARG 84 - HE2 LYS 32 lone 3 83 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 3 83 - 3 - HB2 ARG 69 - HE3 LYS 13 lone 3 69 - 4 - HB2 ARG 69 - HE2 LYS 13 lone 3 67 - 4 - HB2 ARG 17 - HE2 LYS 32 lone 2 89 - 2 - HB2 ARG 17 - HE3 LYS 32 lone 2 88 - 2 - HB ILE 89 - HE2 LYS 39 lone 2 71 - 3 - HB2 LYS 85 - HE2 LYS 39 lone 2 52 - 4 - HB2 ARG 23 - HE2 LYS 39 lone 2 45 - 4 - HB ILE 89 - HE3 LYS 39 lone 2 65 - 3 - HB3 ARG 23 - HE2 LYS 39 lone 2 43 - 4 - HB2 LYS 85 - HE3 LYS 39 lone 2 47 - 4 - HB2 ARG 69 - HE2 LYS 39 lone 2 52 - 4 - HB2 ARG 23 - HE3 LYS 39 lone 2 41 - 5 - HB3 ARG 23 - HE3 LYS 39 lone 2 39 - 4 - HB2 ARG 69 - HE3 LYS 39 lone 2 47 - 4 - HB ILE 89 - HE2 LYS 32 lone 1 100 - 1 - HB ILE 89 - HE3 LYS 32 lone 1 100 - 1 - HB2 ARG 23 - HE3 LYS 13 lone 1 60 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 79 - 2 - HB2 ARG 23 - HE2 LYS 13 lone 1 59 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 78 - 2 - HB3 ARG 23 - HE3 LYS 13 lone 1 58 - 2 - HB3 ARG 23 - HE2 LYS 13 lone 1 56 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 1 73 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 1 73 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 1 71 - 2 - HB3 ARG 23 - HE2 LYS 73 lone 1 71 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 52 - 2 - HB3 ARG 84 - HE3 LYS 39 lone 1 47 - 2 - HB2 ARG 17 - HE3 LYS 75 lone 1 85 - 1 - HB2 ARG 17 - HE2 LYS 75 lone 1 84 - 1 - HB2 ARG 17 - HE2 LYS 39 lone 1 57 - 1 - HB2 ARG 23 - HE2 LYS 32 lone 1 73 - 1 - HB2 ARG 23 - HE3 LYS 32 lone 1 73 - 1 - HB3 ARG 23 - HE2 LYS 32 lone 1 71 - 1 - HB3 ARG 23 - HE3 LYS 32 lone 1 71 - 1 - HB3 ARG 84 - HE3 LYS 13 lone 1 69 - 1 - HB2 ARG 17 - HE3 LYS 39 lone 1 52 - 1 - HB3 ARG 84 - HE2 LYS 13 lone 1 67 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 75 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 73 - 1 - Peak 3041 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 10 out of 180 assignments used, quality = 1.00: HB3 LYS 32 + HE2 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB2 LYS 32 + HE2 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB2 LYS 32 + HE3 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) HB3 LYS 32 + HE3 LYS 32 OK 69 100 - 69 - 4.6=42, 2.9/1628=6...(18) * HB3 LYS 73 + HE3 LYS 73 OK 56 100 - 56 - 4.7=39, 2.9/3042=3...(14) HB3 LYS 73 + HE2 LYS 73 OK 56 100 - 56 - 4.7=39, 2.9/3042=3...(14) HB3 LYS 75 + HE3 LYS 75 OK 56 95 - 59 - 5.0=33, 3092/2.9=3...(22) HB3 LYS 75 + HE2 LYS 75 OK 55 94 - 59 - 5.0=33, 3093/2.9=3...(22) HB2 LYS 13 + HE3 LYS 13 OK 46 82 - 56 - 5.2=28, 1005/2.9=3...(23) HB2 LYS 13 + HE2 LYS 13 OK 45 81 - 56 - 5.2=28, 1006/2.9=3...(23) HB3 LYS 39 - HE2 LYS 39 OK 45 70 - 64 - 4.7=39, ~1879=3, ~1869=3...(24) HB3 LYS 39 - HE3 LYS 39 OK 41 64 - 64 - 4.7=39, ~1879=3, ~1869=3...(24) HB3 LYS 39 - HE3 LYS 75 OK 38 98 - 40 - 2.9/1870=2, 2.9/1880=2...(20) HB3 LYS 39 - HE2 LYS 75 OK 38 97 - 40 - 2.9/1870=2, 2.9/1880=2...(19) HB2 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 32 - HE3 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB2 LYS 32 - HE2 LYS 73 OK 37 100 - 38 - 2.9/1602=2, 2.9/1628=2...(15) HB3 LYS 73 - HE3 LYS 75 OK 32 99 - 33 - 2.9/6146=2, 2.9/3042=1 HB3 LYS 73 - HE2 LYS 75 OK 32 98 - 33 - 2.9/6146=2, 2.9/3042=1 HB2 LYS 13 - HE3 LYS 75 OK 29 93 - 32 - 3.0/1028=2, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 29 92 - 32 - 3.0/1028=2, ~1028=2...(4) HB3 LYS 75 - HE3 LYS 13 OK 26 85 - 31 - 1021/3.8=2, ~3073=1...(9) HB3 LYS 75 - HE2 LYS 13 OK 26 83 - 31 - 1021/3.8=2, ~3073=1...(9) HB3 LYS 73 - HE2 LYS 32 OK 25 100 - 25 - 1597/3.9=1, 1587/3.9=1 HB3 LYS 73 - HE3 LYS 32 OK 24 100 - 25 - 1596/3.9=1, 1586/3.9=1 HB3 LYS 75 - HE3 LYS 73 OK 23 97 - 23 - 2982/3.7=1 HB3 LYS 75 - HE2 LYS 73 OK 23 97 - 23 - 2982/3.7=1 HB3 LYS 39 - HE3 LYS 13 OK 22 89 - 24 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE2 LYS 13 OK 21 87 - 24 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE3 LYS 73 OK 21 100 - 21 - HB3 LYS 39 - HE2 LYS 73 OK 21 100 - 21 - HB3 LYS 73 - HE3 LYS 13 OK 19 90 - 21 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 19 88 - 21 - 1021/3.8=2 HB3 LYS 75 - HE2 LYS 39 OK 19 66 - 29 - 1865/3.6=3, 1875/3.6=2...(7) HB3 LYS 75 - HE3 LYS 39 OK 17 61 - 29 - 1865/3.6=3, 1875/3.6=2...(7) HB3 LYS 39 - HE2 LYS 32 OK 17 100 - 17 - HB3 LYS 39 - HE3 LYS 32 OK 17 100 - 17 - HB2 PRO 34 - HE2 LYS 32 OK 14 100 - 14 - 2.3/4863=2, 2.3/5567=2...(6) HB2 PRO 34 - HE3 LYS 32 OK 14 100 - 14 - 2.3/4863=2, 2.3/5567=1...(6) HB2 LYS 32 - HE3 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 14 98 - 14 - 2.9/1603=1, 2.9/1593=1 HG2 PRO 34 - HE2 LYS 32 OK 13 87 - 15 - 4863/1.8=2, 1.8/5567=2...(6) HG2 PRO 34 - HE3 LYS 32 OK 13 87 - 15 - 4863/1.8=2, 1.8/5567=1...(6) HB2 ARG 54 - HE2 LYS 32 OK 13 96 - 13 - 2311/3.9=2, 1587/3.9=2 HB2 ARG 54 - HE3 LYS 32 OK 13 95 - 13 - 2311/3.9=2, 1587/3.9=2 HB3 LYS 75 - HE2 LYS 32 OK 12 97 - 12 - HB3 LYS 75 - HE3 LYS 32 OK 12 97 - 12 - HB2 LYS 85 - HE3 LYS 75 OK 12 68 - 18 - HB2 LYS 85 - HE2 LYS 75 OK 12 67 - 18 - HB2 ARG 54 - HE2 LYS 39 OK 11 63 - 18 - 2310/3.6=3, 2312/3.0=2...(4) HB2 LYS 13 - HE3 LYS 73 OK 11 96 - 11 - HB2 LYS 13 - HE2 LYS 73 OK 11 96 - 11 - HB3 LYS 32 - HE2 LYS 39 OK 11 70 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 11 70 - 15 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 73 - HE2 LYS 39 OK 11 71 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 ARG 54 - HE3 LYS 39 OK 10 58 - 18 - 2310/3.6=3, 2312/3.0=2...(4) HB2 LEU 57 - HE3 LYS 73 poor 10 97 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LYS 32 - HE3 LYS 39 poor 10 65 - 15 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 poor 10 65 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LEU 57 - HE2 LYS 73 poor 10 97 - 10 - 3.8/5745=1, 3.1/4604=1 HB3 LYS 73 - HE3 LYS 39 poor 10 65 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LEU 57 - HE2 LYS 32 lone 9 97 - 9 - 3.1/4604=1 HB2 LEU 57 - HE3 LYS 32 lone 9 96 - 9 - 3.1/4604=1 HB2 LYS 32 - HE3 LYS 13 lone 8 89 - 9 - HB3 LYS 32 - HE3 LYS 13 lone 8 89 - 9 - HB3 LYS 32 - HE2 LYS 13 lone 8 88 - 9 - HB2 LYS 32 - HE2 LYS 13 lone 8 88 - 9 - HB2 LYS 85 - HE3 LYS 73 poor 8 71 - 12 - HB2 LYS 85 - HE2 LYS 73 poor 8 71 - 12 - HB2 LYS 85 - HE3 LYS 13 poor 8 58 - 14 - 1021/3.8=2 HB2 LYS 85 - HE2 LYS 13 poor 8 56 - 14 - 1021/3.8=2 HB2 ARG 69 - HE3 LYS 75 poor 8 68 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 poor 7 67 - 11 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE2 LYS 39 poor 7 63 - 12 - 1875/3.6=1, 1865/3.6=1 HB ILE 33 - HE2 LYS 32 lone 7 98 - 7 - 4219/3.9=2, 1586/3.9=1 HB ILE 33 - HE3 LYS 32 lone 7 98 - 7 - 4219/3.9=2, 1587/3.9=1 HB2 LYS 13 - HE3 LYS 39 poor 7 58 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 PRO 34 - HE2 LYS 39 lone 6 71 - 9 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE3 LYS 13 lone 6 84 - 7 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 13 lone 6 82 - 7 - HB2 LYS 13 - HE2 LYS 32 lone 6 96 - 6 - HB2 LYS 13 - HE3 LYS 32 lone 6 95 - 6 - HB2 PRO 34 - HE3 LYS 39 lone 6 65 - 9 - 1865/3.6=1, 1875/3.6=1, ~5209=1 HG3 ARG 71 - HE2 LYS 32 lone 6 68 - 8 - HG3 ARG 71 - HE3 LYS 32 lone 6 68 - 8 - HB ILE 33 - HE3 LYS 13 lone 6 86 - 6 - 1655/3.8=1, 1021/3.8=1 HB2 LYS 83 - HE3 LYS 75 lone 6 98 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 98 - 6 - HB2 LEU 57 - HE3 LYS 75 lone 6 94 - 6 - HB ILE 33 - HE2 LYS 13 lone 6 84 - 6 - 1655/3.8=1, 1021/3.8=1 HB2 LEU 57 - HE2 LYS 75 lone 5 93 - 6 - HG2 PRO 34 - HE2 LYS 39 lone 5 55 - 10 - 1723/4.7=1, ~5209=1, 1865/3.6=1 HB2 PRO 34 - HE3 LYS 73 lone 5 100 - 5 - HB2 PRO 34 - HE2 LYS 73 lone 5 100 - 5 - HG2 PRO 34 - HE3 LYS 73 lone 5 87 - 5 - HG2 PRO 34 - HE2 LYS 73 lone 5 87 - 5 - HG2 PRO 34 - HE3 LYS 39 lone 5 50 - 10 - 1723/4.7=1, ~5209=1, 1865/3.6=1 HB3 ARG 84 - HE3 LYS 73 lone 4 71 - 6 - HB3 ARG 84 - HE2 LYS 73 lone 4 71 - 6 - HB2 ARG 69 - HE3 LYS 73 lone 4 71 - 6 - 2797/3.7=1 HB2 ARG 69 - HE2 LYS 73 lone 4 71 - 6 - 2797/3.7=1 HB2 LEU 57 - HE2 LYS 39 lone 4 65 - 6 - 4982/3.6=1 HB2 ARG 54 - HE3 LYS 73 lone 4 96 - 4 - HB2 ARG 54 - HE2 LYS 73 lone 4 96 - 4 - HG3 ARG 71 - HE3 LYS 73 lone 4 68 - 6 - HG3 ARG 71 - HE2 LYS 73 lone 4 68 - 6 - HB2 LEU 57 - HE3 LYS 39 lone 4 60 - 6 - 4982/3.6=1 HB2 LYS 83 - HE3 LYS 73 lone 4 100 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 4 100 - 4 - HB2 ARG 54 - HE3 LYS 75 lone 3 93 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 3 92 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 98 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 3 96 - 3 - HB3 ARG 82 - HE2 LYS 73 lone 3 96 - 3 - HB2 LYS 83 - HE3 LYS 13 lone 3 89 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 88 - 3 - HB2 ARG 69 - HE3 LYS 13 lone 3 58 - 5 - HB2 ARG 69 - HE2 LYS 13 lone 3 56 - 5 - HB2 LYS 85 - HE2 LYS 32 lone 3 71 - 4 - HB2 LYS 85 - HE3 LYS 32 lone 3 71 - 4 - HG2 PRO 34 - HE3 LYS 75 lone 3 83 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 3 83 - 3 - HB2 ARG 69 - HE2 LYS 32 lone 2 71 - 3 - HB2 ARG 69 - HE3 LYS 32 lone 2 71 - 3 - HB3 ARG 84 - HE2 LYS 32 lone 2 71 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 2 71 - 3 - HB2 LYS 83 - HE2 LYS 39 lone 2 70 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 2 63 - 4 - HB2 PRO 34 - HE3 LYS 13 lone 2 90 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 2 88 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 2 65 - 3 - HB3 ARG 82 - HE2 LYS 32 lone 2 96 - 2 - HB3 ARG 82 - HE3 LYS 32 lone 2 95 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 98 - 2 - HB2 LYS 85 - HE2 LYS 39 lone 2 43 - 5 - HB ILE 33 - HE3 LYS 75 lone 2 96 - 2 - HB ILE 33 - HE3 LYS 73 lone 2 98 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 95 - 2 - HB3 ARG 82 - HE3 LYS 39 lone 2 58 - 3 - HB2 LYS 85 - HE3 LYS 39 lone 2 39 - 5 - HB2 ARG 69 - HE2 LYS 39 lone 2 43 - 4 - HB ILE 33 - HE2 LYS 39 lone 2 67 - 3 - HB2 ARG 69 - HE3 LYS 39 lone 2 39 - 4 - HG3 ARG 26 - HE2 LYS 32 lone 2 60 - 3 - HG3 ARG 26 - HE3 LYS 32 lone 2 60 - 3 - HB2 LYS 83 - HE2 LYS 32 lone 2 100 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 100 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 61 - 3 - HG3 ARG 71 - HE3 LYS 75 lone 2 65 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 2 73 - 2 - HG3 ARG 71 - HE2 LYS 75 lone 2 64 - 2 - HG2 PRO 34 - HE2 LYS 13 lone 2 71 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 93 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 1 82 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 92 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 81 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 82 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 1 68 - 2 - HB3 ARG 84 - HE2 LYS 75 lone 1 67 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 1 81 - 2 - HB3 ARG 84 - HE2 LYS 39 lone 1 43 - 3 - HB3 ARG 84 - HE3 LYS 39 lone 1 39 - 3 - HG3 ARG 26 - HE3 LYS 73 lone 1 60 - 2 - HG3 ARG 26 - HE2 LYS 73 lone 1 60 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 58 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 56 - 2 - HG3 ARG 71 - HE3 LYS 13 lone 0 55 - 1 - HG3 ARG 71 - HE2 LYS 39 lone 0 41 - 1 - HG3 ARG 71 - HE2 LYS 13 lone 0 54 - 1 - HG3 ARG 71 - HE3 LYS 39 lone 0 37 - 1 - HG3 ARG 26 - HE3 LYS 75 lone 0 57 - 1 - HG3 ARG 26 - HE2 LYS 75 lone 0 56 - 1 - HG3 ARG 26 - HE3 LYS 13 lone 0 48 - 1 - HG3 ARG 26 - HE2 LYS 13 lone 0 47 - 1 - HG3 ARG 26 - HE2 LYS 39 lone 0 35 - 1 - HG3 ARG 26 - HE3 LYS 39 lone 0 32 - 1 - Peak 3042 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.55 A): 4 out of 60 assignments used, quality = 1.00: * HG2 LYS 73 + HE3 LYS 73 OK 92 100 - 92 - 3.7=88, 789/7.3=3...(17) HG2 LYS 73 + HE2 LYS 73 OK 92 100 - 92 - 3.7=88, 789/7.3=3...(17) HG3 LYS 13 + HE3 LYS 13 OK 58 65 - 90 - 3.8=81, 1035/2.9=5...(25) HG3 LYS 13 + HE2 LYS 13 OK 57 63 - 90 - 3.8=81, 1035/2.9=5...(25) HG2 LYS 73 - HE3 LYS 75 OK 41 99 - 42 - 1.8/6146=2, 2997=2...(10) HG2 LYS 73 - HE2 LYS 75 OK 41 98 - 42 - 1.8/6146=2, 2997=2...(10) HG2 LYS 73 - HE2 LYS 32 OK 29 100 - 30 - 2994/3.0=2, 2994/3.0=2...(6) HG2 LYS 73 - HE3 LYS 32 OK 29 100 - 30 - 2994/3.0=2, 2994/3.0=2...(6) HG3 LYS 13 - HE3 LYS 75 OK 29 75 - 38 - 1.8/1028=3, ~1028=2...(14) HG3 LYS 13 - HE2 LYS 75 OK 28 74 - 38 - 1.8/1028=3, ~1028=2...(14) HG2 LYS 73 - HE3 LYS 13 OK 23 90 - 25 - 1.8/6146=1, 2996=1, 2996/1.8=1 HG2 LYS 73 - HE2 LYS 13 OK 22 88 - 25 - 1.8/6146=1, 2996=1, 2996/1.8=1 HG3 LYS 85 - HE3 LYS 75 OK 13 68 - 20 - 1.8/6146=1 HG3 LYS 85 - HE2 LYS 75 OK 13 67 - 20 - 1.8/6146=1 HB3 LEU 57 - HE3 LYS 73 OK 12 97 - 13 - 3.8/5745=2, 3.1/4604=1 HB3 LEU 57 - HE2 LYS 73 OK 12 97 - 13 - 3.8/5745=2, 3.1/4604=1 HG3 LYS 13 - HE3 LYS 73 OK 12 78 - 15 - 1.8/1028=1, 2972/4.7=1 HG3 LYS 13 - HE2 LYS 73 OK 12 78 - 15 - 1.8/1028=1, 2972/4.7=1 HG3 LYS 85 - HE3 LYS 73 OK 12 71 - 17 - 2972/4.7=1, 2994/3.0=1 HG3 LYS 85 - HE2 LYS 73 OK 12 71 - 17 - 2972/4.7=1, 2994/3.0=1 HG2 LYS 73 - HE2 LYS 39 OK 11 71 - 16 - HG2 LYS 73 - HE3 LYS 39 OK 10 65 - 16 - HB3 LEU 57 - HE2 LYS 32 poor 10 97 - 10 - 3.1/4604=2, ~4604=1 HB3 LEU 57 - HE3 LYS 32 poor 10 97 - 10 - 3.1/4604=2, ~4604=1 HG3 LYS 85 - HE3 LYS 13 poor 9 58 - 15 - 1033/3.8=1 HG3 LYS 85 - HE2 LYS 13 poor 8 56 - 15 - 1033/3.8=1 HB3 LEU 52 - HE2 LYS 32 lone 7 100 - 7 - 2267/3.9=2 HB3 LEU 52 - HE3 LYS 32 lone 7 100 - 7 - 2267/3.9=2 HB3 LEU 57 - HE3 LYS 75 lone 6 95 - 7 - 3.1/4604=1 HB3 LEU 57 - HE3 LYS 13 lone 6 85 - 7 - 3.1/4604=1 HB3 LEU 57 - HE2 LYS 75 lone 6 94 - 7 - HB3 LEU 57 - HE2 LYS 13 lone 6 83 - 7 - 3.1/4604=1 HG3 LYS 13 - HE2 LYS 32 lone 6 78 - 7 - HG3 LYS 13 - HE3 LYS 32 lone 6 78 - 7 - HG3 LYS 13 - HE2 LYS 39 poor 6 48 - 12 - 1.8/1028=1 HB3 LEU 52 - HE3 LYS 73 lone 6 100 - 5 - HB3 LEU 52 - HE2 LYS 73 lone 6 100 - 5 - HG3 LYS 13 - HE3 LYS 39 poor 5 44 - 12 - 1.8/1028=1 QB ALA 63 - HE3 LYS 73 lone 5 99 - 5 - QB ALA 63 - HE2 LYS 73 lone 5 99 - 5 - HB3 LEU 57 - HE2 LYS 39 lone 4 66 - 6 - HG3 LYS 85 - HE2 LYS 32 lone 4 71 - 5 - HB3 LEU 57 - HE3 LYS 39 lone 4 61 - 6 - HG3 LYS 85 - HE3 LYS 32 lone 4 71 - 5 - HB3 LEU 52 - HE3 LYS 13 lone 2 89 - 3 - HB3 LEU 52 - HE2 LYS 13 lone 2 87 - 3 - HG3 LYS 85 - HE2 LYS 39 lone 2 43 - 4 - QB ALA 63 - HE3 LYS 75 lone 2 96 - 2 - QB ALA 63 - HE2 LYS 75 lone 2 96 - 2 - HG3 LYS 85 - HE3 LYS 39 lone 2 39 - 4 - QB ALA 63 - HE2 LYS 39 lone 2 68 - 2 - QB ALA 63 - HE2 LYS 32 lone 2 99 - 2 - QB ALA 63 - HE3 LYS 32 lone 2 99 - 2 - HB3 LEU 52 - HE2 LYS 39 lone 2 70 - 2 - QB ALA 63 - HE3 LYS 39 lone 1 62 - 2 - HB3 LEU 52 - HE3 LYS 75 lone 1 98 - 1 - HB3 LEU 52 - HE2 LYS 75 lone 1 97 - 1 - HB3 LEU 52 - HE3 LYS 39 lone 1 64 - 2 - QB ALA 63 - HE3 LYS 13 lone 1 87 - 1 - QB ALA 63 - HE2 LYS 13 lone 1 85 - 1 - Peak 3043 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.25 A): 7 out of 130 assignments used, quality = 1.00: HG3 LYS 75 + HE3 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3135=3...(25) HG2 LYS 75 + HE3 LYS 75 OK 88 99 - 89 - 3.5=81, 2.9/3135=3...(25) HG2 LYS 75 + HE2 LYS 75 OK 87 98 - 89 - 3.5=81, 2.9/3125=3...(25) HG3 LYS 75 + HE2 LYS 75 OK 87 98 - 89 - 3.5=81, 2.9/3125=3...(25) * HG3 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 3.7=68, 2.9/1631=2...(10) HG3 LYS 73 + HE2 LYS 73 OK 77 100 - 77 - 3.7=68, 2.9/1631=2...(10) HG3 LYS 39 + HE2 LYS 39 OK 49 57 - 87 - 3.6=75, 1879/3.0=7...(14) HG3 LYS 39 - HE3 LYS 39 OK 45 52 - 87 - 3.6=75, 1879/3.0=7...(13) HG3 LYS 73 - HE3 LYS 75 OK 32 99 - 33 - 6146=2, 6146/1.8=2...(4) HG3 LYS 39 - HE3 LYS 75 OK 32 85 - 38 - 1880/1.8=2, 1874/5.0=2...(11) HG3 LYS 73 - HE2 LYS 75 OK 32 98 - 33 - 6146=2, 6146/1.8=2...(4) HG3 LYS 39 - HE2 LYS 75 OK 32 84 - 38 - 1880/1.8=2, 1874/5.0=2...(11) HG3 LYS 75 - HE3 LYS 13 OK 27 90 - 31 - 3112/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 27 90 - 31 - 3112/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 73 OK 27 100 - 28 - 2993/3.7=1 HG3 LYS 75 - HE3 LYS 73 OK 27 100 - 28 - 2993/3.7=1 HG2 LYS 75 - HE2 LYS 73 OK 27 100 - 27 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 27 100 - 27 - 2993/3.7=1 HG2 LYS 75 - HE2 LYS 13 OK 27 88 - 31 - 3112/2.9=1, 3102/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 88 - 31 - 3102/2.9=1, 3113/2.9=1 HG3 LYS 73 - HE2 LYS 32 OK 24 100 - 24 - 6146=1, 3005/3.0=1...(4) HG3 LYS 73 - HE3 LYS 32 OK 23 100 - 24 - 6146=1, 6146/1.8=1...(4) HG3 LYS 75 - HE2 LYS 39 OK 21 71 - 30 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE2 LYS 39 OK 21 71 - 30 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 20 65 - 30 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE3 LYS 39 OK 20 65 - 30 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 39 - HE3 LYS 73 OK 18 89 - 21 - 1880/1.8=1 HG3 LYS 39 - HE2 LYS 73 OK 18 89 - 21 - 1880/1.8=1 HG3 LYS 73 - HE3 LYS 13 OK 18 90 - 20 - HG3 LYS 73 - HE2 LYS 13 OK 17 88 - 20 - HG3 LYS 39 - HE3 LYS 13 OK 16 75 - 22 - 1881/1.8=2, ~1871=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 16 73 - 21 - 1881/1.8=2, ~1871=1...(5) HG3 LYS 39 - HE2 LYS 32 OK 15 89 - 17 - HG3 LYS 39 - HE3 LYS 32 OK 15 88 - 17 - HG2 LYS 85 - HE3 LYS 75 OK 15 95 - 15 - HG2 LYS 85 - HE2 LYS 75 OK 14 94 - 15 - HG3 LYS 75 - HE2 LYS 32 OK 14 100 - 14 - HG2 LYS 75 - HE2 LYS 32 OK 14 100 - 14 - HG3 LYS 75 - HE3 LYS 32 OK 14 100 - 14 - HG2 LYS 75 - HE3 LYS 32 OK 14 100 - 14 - HG2 LYS 85 - HE3 LYS 73 OK 13 97 - 13 - HG2 LYS 85 - HE2 LYS 73 OK 13 97 - 13 - HB3 ARG 69 - HE3 LYS 75 OK 11 97 - 12 - 2802/5.0=1, ~2795=1, ~2797=1 HB3 ARG 69 - HE2 LYS 75 OK 11 96 - 12 - 2802/5.0=1, ~2795=1, ~2797=1 HG3 LYS 73 - HE2 LYS 39 poor 10 71 - 13 - 1867/3.6=1 HG3 ARG 69 - HE3 LYS 75 lone 9 94 - 10 - 2818/5.0=1 HG2 LYS 85 - HE3 LYS 13 poor 9 85 - 11 - HG3 ARG 69 - HE2 LYS 75 lone 9 93 - 10 - 2818/5.0=1 HG2 LYS 85 - HE2 LYS 13 poor 9 83 - 11 - HG3 LYS 73 - HE3 LYS 39 poor 9 65 - 14 - 1867/3.6=1 HB3 ARG 69 - HE3 LYS 73 lone 8 99 - 8 - 2802/4.7=1, 2802/4.7=1 HB3 ARG 69 - HE2 LYS 73 lone 8 99 - 8 - 2802/4.7=1, 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 7 97 - 7 - 2818/4.7=1, 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 7 97 - 7 - 2818/4.7=1, 2818/4.7=1 HB3 ARG 69 - HE3 LYS 32 lone 4 99 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 4 99 - 4 - HG2 LYS 85 - HE2 LYS 32 lone 4 97 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 4 97 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 4 97 - 4 - HG3 ARG 69 - HE3 LYS 32 lone 4 96 - 4 - QB ALA 77 - HE3 LYS 75 lone 4 93 - 4 - QB ALA 77 - HE2 LYS 75 lone 4 92 - 4 - QB ALA 53 - HE3 LYS 73 lone 3 100 - 3 - QB ALA 53 - HE2 LYS 73 lone 3 100 - 3 - HG2 LYS 83 - HE3 LYS 75 lone 3 81 - 4 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 4 - HB3 ARG 69 - HE2 LYS 39 lone 3 68 - 5 - HB3 ARG 69 - HE3 LYS 39 lone 3 63 - 5 - HB3 ARG 69 - HE3 LYS 13 lone 3 87 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 86 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 99 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 98 - 3 - QB ALA 78 - HE3 LYS 73 lone 3 100 - 2 - QB ALA 78 - HE2 LYS 73 lone 3 100 - 2 - HG2 LYS 83 - HE3 LYS 73 lone 2 85 - 3 - HG2 LYS 83 - HE2 LYS 73 lone 2 85 - 3 - QB ALA 53 - HE2 LYS 39 lone 2 70 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 2 66 - 4 - HG3 ARG 69 - HE3 LYS 13 lone 2 84 - 3 - HG3 ARG 69 - HE2 LYS 13 lone 2 82 - 3 - QB ALA 53 - HE3 LYS 39 lone 2 64 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 2 61 - 4 - HG3 ARG 69 - HE2 LYS 39 lone 2 65 - 3 - QB ALA 53 - HE2 LYS 32 lone 2 100 - 2 - QB ALA 53 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 69 - HE3 LYS 39 lone 2 60 - 3 - QB ALA 77 - HE2 LYS 73 lone 2 96 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 96 - 2 - QB ALA 53 - HE3 LYS 75 lone 2 98 - 2 - QB ALA 53 - HE2 LYS 75 lone 2 97 - 2 - QB ALA 20 - HE3 LYS 75 lone 1 95 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 94 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 71 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 69 - 2 - QB ALA 78 - HE2 LYS 39 lone 1 71 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 65 - 2 - HG2 LYS 83 - HE2 LYS 32 lone 1 85 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 85 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 100 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 100 - 1 - HG2 LYS 83 - HE2 LYS 39 lone 1 53 - 2 - QB ALA 20 - HE2 LYS 73 lone 1 97 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 90 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 97 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 88 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 49 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 63 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 82 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 81 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 95 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 96 - 1 - QB ALA 77 - HE3 LYS 39 lone 1 58 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 97 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 66 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 61 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 89 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 87 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 85 - 1 - QB ALA 20 - HE2 LYS 13 lone 1 83 - 1 - QB ALA 16 - HE3 LYS 73 lone 0 63 - 1 - QB ALA 16 - HE2 LYS 73 lone 0 63 - 1 - QB ALA 16 - HE2 LYS 32 lone 0 63 - 0 - QB ALA 16 - HE3 LYS 32 lone 0 63 - 0 - QB ALA 16 - HE3 LYS 75 lone 0 60 - 0 - QB ALA 16 - HE2 LYS 75 lone 0 59 - 0 - QB ALA 16 - HE3 LYS 13 lone 0 51 - 0 - QB ALA 16 - HE2 LYS 13 lone 0 49 - 0 - QB ALA 16 - HE2 LYS 39 lone 0 37 - 0 - QB ALA 16 - HE3 LYS 39 lone 0 34 - 0 - Peak 3044 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) * HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 27 36 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 26 34 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 98 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 98 - 17 - HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 9 62 - 15 - HD2 LYS 39 - HE2 LYS 75 poor 9 61 - 15 - HD3 LYS 39 - HE3 LYS 75 poor 9 60 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 59 - 16 - HB3 LEU 51 - HE2 LYS 39 poor 9 65 - 14 - ~6088=2, ~4948=2...(5) HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 32 - HE2 LYS 75 lone 9 98 - 9 - HD2 LYS 73 - HE3 LYS 13 lone 9 90 - 10 - HD3 LYS 73 - HE3 LYS 13 lone 9 90 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 8 99 - 8 - HD2 LYS 73 - HE2 LYS 13 lone 8 88 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 8 88 - 10 - HD2 LYS 32 - HE2 LYS 75 lone 8 98 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 8 60 - 14 - ~6088=2, ~4948=2...(5) HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 7 96 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD2 LYS 39 - HE3 LYS 13 lone 5 53 - 9 - HD3 LYS 32 - HE2 LYS 39 lone 5 71 - 6 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD2 LYS 32 - HE2 LYS 39 lone 5 71 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 52 - 9 - HD3 LYS 39 - HE3 LYS 13 lone 4 51 - 9 - HD3 LYS 32 - HE3 LYS 13 lone 4 90 - 5 - HD3 LYS 39 - HE2 LYS 13 lone 4 49 - 9 - HD3 LYS 32 - HE2 LYS 13 lone 4 88 - 5 - HD3 LYS 32 - HE3 LYS 39 lone 4 65 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 6 - HD2 LYS 32 - HE2 LYS 13 lone 4 88 - 5 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD2 LYS 32 - HE3 LYS 39 lone 4 65 - 6 - HD2 LYS 73 - HE2 LYS 39 lone 4 71 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 71 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HD3 LYS 73 - HE3 LYS 39 lone 4 65 - 6 - HD2 LYS 73 - HE3 LYS 39 lone 4 65 - 6 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HE2 LYS 39 lone 3 70 - 4 - HG LEU 86 - HE2 LYS 39 lone 3 63 - 5 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HE3 LYS 39 lone 3 65 - 4 - HB3 LEU 51 - HE3 LYS 75 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 93 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 58 - 5 - HG2 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 88 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 88 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 96 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 48 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 44 - 3 - HG2 ARG 71 - HE3 LYS 75 lone 1 96 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 95 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 84 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 82 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 95 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 92 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 98 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 80 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 98 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 81 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 89 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 57 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 57 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 88 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 52 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 52 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 85 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 85 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 75 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 74 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE2 LYS 39 lone 1 67 - 1 - HG3 ARG 17 - HE2 LYS 75 lone 0 95 - 0 - HB3 LEU 62 - HE3 LYS 13 lone 0 65 - 1 - HG2 ARG 71 - HE3 LYS 39 lone 0 61 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 63 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 68 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 67 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 77 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 86 - 0 - HG3 ARG 27 - HE3 LYS 75 lone 0 75 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 74 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 62 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 84 - 0 - HG3 ARG 17 - HE3 LYS 39 lone 0 61 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 0 75 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 75 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 73 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 73 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 90 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 88 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 94 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 93 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 86 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 85 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 71 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 84 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 65 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 84 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 82 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 67 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 65 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 65 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 63 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 65 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 50 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 48 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 60 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 46 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 44 - 0 - Peak 3045 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.67 A): 8 out of 190 assignments used, quality = 1.00: HD2 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE2 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD3 LYS 32 + HE3 LYS 32 OK 78 100 - 78 - 3.0=71, 3.0/1628=3...(9) HD2 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 * HD3 LYS 73 + HE3 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3020/4.7=1 HD2 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD3 LYS 73 + HE2 LYS 73 OK 75 100 - 75 - 3.0=72, 2.9/3042=2, 3010/4.7=1 HD2 LYS 39 - HE2 LYS 39 OK 30 39 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE2 LYS 39 OK 28 37 - 76 - 3.0=72, 1896/3.6=2...(8) HD2 LYS 39 - HE3 LYS 39 OK 27 36 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 39 - HE3 LYS 39 OK 26 34 - 76 - 3.0=72, 1896/3.6=2...(8) HD3 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD3 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE3 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 32 - HE2 LYS 73 OK 20 100 - 20 - 3.0/1628=1, 3.0/1602=1 HD2 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD3 LYS 73 - HE3 LYS 75 OK 17 99 - 17 - HD2 LYS 73 - HE2 LYS 75 OK 17 98 - 17 - HD3 LYS 73 - HE2 LYS 75 OK 17 98 - 17 - HD3 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE2 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD3 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 73 - HE3 LYS 32 OK 13 100 - 13 - 1591/3.9=1, 1601/3.9=1 HD2 LYS 39 - HE3 LYS 75 poor 9 62 - 15 - HD2 LYS 39 - HE2 LYS 75 poor 9 61 - 15 - HD3 LYS 39 - HE3 LYS 75 poor 9 60 - 16 - HD3 LYS 39 - HE2 LYS 75 poor 9 59 - 16 - HB3 LEU 51 - HE2 LYS 39 poor 9 65 - 14 - ~6088=2, ~4948=2...(5) HD3 LYS 32 - HE3 LYS 75 lone 9 99 - 9 - HD3 LYS 32 - HE2 LYS 75 lone 9 98 - 9 - HD2 LYS 73 - HE3 LYS 13 lone 9 90 - 10 - HD3 LYS 73 - HE3 LYS 13 lone 9 90 - 10 - HD2 LYS 32 - HE3 LYS 75 lone 8 99 - 8 - HD2 LYS 73 - HE2 LYS 13 lone 8 88 - 10 - HD3 LYS 73 - HE2 LYS 13 lone 8 88 - 10 - HD2 LYS 32 - HE2 LYS 75 lone 8 98 - 8 - HB3 LEU 51 - HE3 LYS 39 poor 8 60 - 14 - ~6088=2, ~4948=2...(5) HB3 LEU 51 - HE2 LYS 32 lone 7 97 - 7 - 2225/3.9=1 HB3 LEU 51 - HE3 LYS 32 lone 7 96 - 7 - 2225/3.9=1 HD2 LYS 39 - HE3 LYS 73 lone 5 65 - 8 - HD2 LYS 39 - HE2 LYS 73 lone 5 65 - 8 - HD3 LYS 39 - HE3 LYS 73 lone 5 63 - 8 - HD3 LYS 39 - HE2 LYS 73 lone 5 63 - 8 - HD2 LYS 39 - HE3 LYS 13 lone 5 53 - 9 - HD3 LYS 32 - HE2 LYS 39 lone 5 71 - 6 - HG2 ARG 71 - HE2 LYS 32 lone 5 98 - 5 - HG2 ARG 71 - HE3 LYS 32 lone 5 98 - 5 - HD2 LYS 32 - HE2 LYS 39 lone 5 71 - 6 - HD2 LYS 39 - HE2 LYS 13 lone 5 52 - 9 - HD3 LYS 39 - HE3 LYS 13 lone 4 51 - 9 - HD3 LYS 32 - HE3 LYS 13 lone 4 90 - 5 - HD3 LYS 39 - HE2 LYS 13 lone 4 49 - 9 - HD3 LYS 32 - HE2 LYS 13 lone 4 88 - 5 - HD3 LYS 32 - HE3 LYS 39 lone 4 65 - 7 - HD2 LYS 32 - HE3 LYS 13 lone 4 90 - 5 - HD2 LYS 39 - HE2 LYS 32 lone 4 65 - 6 - HD2 LYS 32 - HE2 LYS 13 lone 4 88 - 5 - HD2 LYS 39 - HE3 LYS 32 lone 4 65 - 6 - HD2 LYS 32 - HE3 LYS 39 lone 4 65 - 6 - HD2 LYS 73 - HE2 LYS 39 lone 4 71 - 6 - HD3 LYS 73 - HE2 LYS 39 lone 4 71 - 6 - HD3 LYS 39 - HE2 LYS 32 lone 4 63 - 7 - HD3 LYS 39 - HE3 LYS 32 lone 4 63 - 7 - HD3 LYS 73 - HE3 LYS 39 lone 4 65 - 6 - HD2 LYS 73 - HE3 LYS 39 lone 4 65 - 6 - HB3 LEU 51 - HE2 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HE2 LYS 39 lone 3 70 - 4 - HG LEU 86 - HE2 LYS 39 lone 3 63 - 5 - HG2 ARG 71 - HE3 LYS 73 lone 3 98 - 3 - HG2 ARG 71 - HE2 LYS 73 lone 3 98 - 3 - HB3 LEU 51 - HE3 LYS 73 lone 3 97 - 3 - HB2 LEU 86 - HE3 LYS 39 lone 3 65 - 4 - HB3 LEU 51 - HE3 LYS 75 lone 3 94 - 3 - HB3 LEU 51 - HE2 LYS 75 lone 3 93 - 3 - HG LEU 86 - HE3 LYS 39 lone 3 58 - 5 - HG2 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE3 LYS 73 lone 2 89 - 3 - HG2 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 84 - HE2 LYS 73 lone 2 89 - 3 - HG3 ARG 70 - HE2 LYS 32 lone 2 100 - 2 - HG3 ARG 70 - HE3 LYS 32 lone 2 100 - 2 - HG3 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE2 LYS 32 lone 2 89 - 2 - HG2 ARG 84 - HE3 LYS 32 lone 2 88 - 2 - HG3 ARG 84 - HE3 LYS 32 lone 2 88 - 2 - HG2 ARG 17 - HE2 LYS 32 lone 1 99 - 1 - HG2 ARG 17 - HE3 LYS 32 lone 1 99 - 1 - HG3 ARG 17 - HE2 LYS 32 lone 1 98 - 1 - HG3 ARG 17 - HE3 LYS 32 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 73 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 73 lone 1 100 - 1 - HG2 ARG 26 - HE3 LYS 32 lone 1 96 - 1 - HG2 ARG 26 - HE2 LYS 32 lone 1 97 - 1 - HB3 LEU 62 - HE2 LYS 39 lone 1 48 - 3 - HG2 ARG 17 - HE3 LYS 73 lone 1 99 - 1 - HG2 ARG 17 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 17 - HE3 LYS 73 lone 1 98 - 1 - HG3 ARG 17 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 86 - HE3 LYS 73 lone 1 96 - 1 - HG LEU 86 - HE2 LYS 73 lone 1 96 - 1 - HB2 LEU 86 - HE2 LYS 32 lone 1 100 - 1 - HB2 LEU 86 - HE3 LYS 32 lone 1 100 - 1 - HG3 ARG 70 - HE2 LYS 73 lone 1 100 - 1 - HG3 ARG 70 - HE3 LYS 73 lone 1 100 - 1 - HB3 LEU 62 - HE3 LYS 39 lone 1 44 - 3 - HG2 ARG 71 - HE3 LYS 75 lone 1 96 - 1 - HG2 ARG 71 - HE2 LYS 75 lone 1 95 - 1 - HB3 LEU 51 - HE3 LYS 13 lone 1 84 - 1 - HB3 LEU 62 - HE2 LYS 32 lone 1 78 - 1 - HB3 LEU 62 - HE3 LYS 32 lone 1 78 - 1 - HB3 LEU 51 - HE2 LYS 13 lone 1 82 - 1 - HB3 LEU 62 - HE3 LYS 73 lone 1 78 - 1 - HB3 LEU 62 - HE2 LYS 73 lone 1 78 - 1 - HG LEU 86 - HE2 LYS 32 lone 1 96 - 1 - HG LEU 86 - HE3 LYS 32 lone 1 95 - 1 - HG LEU 86 - HE3 LYS 75 lone 1 93 - 1 - HG LEU 86 - HE2 LYS 75 lone 1 92 - 1 - HG2 ARG 26 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 26 - HE2 LYS 73 lone 1 97 - 1 - HB2 LEU 86 - HE3 LYS 75 lone 1 98 - 1 - HB2 LEU 86 - HE2 LYS 75 lone 1 98 - 1 - HG3 ARG 70 - HE3 LYS 75 lone 1 99 - 1 - HG2 ARG 27 - HE2 LYS 32 lone 1 81 - 1 - HG2 ARG 27 - HE3 LYS 32 lone 1 80 - 1 - HG3 ARG 70 - HE2 LYS 75 lone 1 98 - 1 - HG LEU 86 - HE3 LYS 13 lone 1 82 - 1 - HG LEU 86 - HE2 LYS 13 lone 1 81 - 1 - HB2 LEU 86 - HE3 LYS 13 lone 1 89 - 1 - HG2 ARG 84 - HE2 LYS 39 lone 1 57 - 1 - HG3 ARG 84 - HE2 LYS 39 lone 1 57 - 1 - HG3 ARG 27 - HE2 LYS 32 lone 1 78 - 1 - HB2 LEU 86 - HE2 LYS 13 lone 1 88 - 1 - HG3 ARG 27 - HE3 LYS 32 lone 1 78 - 1 - HG3 ARG 84 - HE3 LYS 39 lone 1 52 - 1 - HG2 ARG 84 - HE3 LYS 39 lone 1 52 - 1 - HG2 ARG 84 - HE3 LYS 75 lone 1 85 - 1 - HG3 ARG 84 - HE3 LYS 75 lone 1 85 - 1 - HG3 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HG2 ARG 84 - HE2 LYS 75 lone 1 84 - 1 - HB3 LEU 62 - HE3 LYS 75 lone 1 75 - 1 - HB3 LEU 62 - HE2 LYS 75 lone 1 74 - 1 - HG2 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG2 ARG 17 - HE2 LYS 75 lone 0 96 - 0 - HG3 ARG 17 - HE3 LYS 75 lone 0 96 - 0 - HG2 ARG 71 - HE2 LYS 39 lone 1 67 - 1 - HG3 ARG 17 - HE2 LYS 75 lone 0 95 - 0 - HB3 LEU 62 - HE3 LYS 13 lone 0 65 - 1 - HG2 ARG 71 - HE3 LYS 39 lone 0 61 - 1 - HB3 LEU 62 - HE2 LYS 13 lone 0 63 - 1 - HG2 ARG 17 - HE2 LYS 39 lone 0 68 - 1 - HG2 ARG 27 - HE3 LYS 73 lone 0 81 - 1 - HG2 ARG 27 - HE2 LYS 73 lone 0 81 - 1 - HG3 ARG 17 - HE2 LYS 39 lone 0 67 - 1 - HG2 ARG 27 - HE3 LYS 75 lone 0 77 - 1 - HG2 ARG 27 - HE2 LYS 75 lone 0 76 - 1 - HG3 ARG 27 - HE3 LYS 73 lone 0 78 - 1 - HG3 ARG 27 - HE2 LYS 73 lone 0 78 - 1 - HG2 ARG 71 - HE3 LYS 13 lone 0 86 - 0 - HG3 ARG 27 - HE3 LYS 75 lone 0 75 - 1 - HG3 ARG 27 - HE2 LYS 75 lone 0 74 - 1 - HG2 ARG 17 - HE3 LYS 39 lone 0 62 - 1 - HG2 ARG 71 - HE2 LYS 13 lone 0 84 - 0 - HG3 ARG 17 - HE3 LYS 39 lone 0 61 - 1 - HG3 ARG 84 - HE3 LYS 13 lone 0 75 - 0 - HG2 ARG 84 - HE3 LYS 13 lone 0 75 - 0 - HG3 ARG 84 - HE2 LYS 13 lone 0 73 - 0 - HG2 ARG 84 - HE2 LYS 13 lone 0 73 - 0 - HG3 ARG 70 - HE3 LYS 13 lone 0 90 - 0 - HG3 ARG 70 - HE2 LYS 13 lone 0 88 - 0 - HG2 ARG 26 - HE3 LYS 75 lone 0 94 - 0 - HG2 ARG 26 - HE2 LYS 75 lone 0 93 - 0 - HG2 ARG 17 - HE3 LYS 13 lone 0 87 - 0 - HG3 ARG 17 - HE3 LYS 13 lone 0 86 - 0 - HG2 ARG 17 - HE2 LYS 13 lone 0 85 - 0 - HG3 ARG 70 - HE2 LYS 39 lone 0 71 - 0 - HG3 ARG 17 - HE2 LYS 13 lone 0 84 - 0 - HG3 ARG 70 - HE3 LYS 39 lone 0 65 - 0 - HG2 ARG 26 - HE3 LYS 13 lone 0 84 - 0 - HG2 ARG 26 - HE2 LYS 13 lone 0 82 - 0 - HG2 ARG 27 - HE3 LYS 13 lone 0 67 - 0 - HG2 ARG 27 - HE2 LYS 13 lone 0 65 - 0 - HG3 ARG 27 - HE3 LYS 13 lone 0 65 - 0 - HG3 ARG 27 - HE2 LYS 13 lone 0 63 - 0 - HG2 ARG 26 - HE2 LYS 39 lone 0 65 - 0 - HG2 ARG 27 - HE2 LYS 39 lone 0 50 - 0 - HG3 ARG 27 - HE2 LYS 39 lone 0 48 - 0 - HG2 ARG 26 - HE3 LYS 39 lone 0 60 - 0 - HG2 ARG 27 - HE3 LYS 39 lone 0 46 - 0 - HG3 ARG 27 - HE3 LYS 39 lone 0 44 - 0 - Peak 3046 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 97 97 - 100 HE2 LYS 75 + HE2 LYS 75 OK 96 96 - 100 HE3 LYS 13 + HE3 LYS 13 OK 81 81 - 100 HE2 LYS 13 + HE2 LYS 13 OK 78 78 - 100 HE2 LYS 39 - HE2 LYS 39 OK 45 45 - 100 HE3 LYS 39 - HE3 LYS 39 OK 37 37 - 100 Reference assignment not found: HE2 LYS 73 - HE3 LYS 73 Peak 3047 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: * HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 32 + HE2 LYS 32 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 96 96 - 100 HE2 LYS 75 + HE2 LYS 75 OK 95 95 - 100 HE3 LYS 13 + HE3 LYS 13 OK 80 80 - 100 HE2 LYS 13 + HE2 LYS 13 OK 76 76 - 100 HE2 LYS 39 - HE2 LYS 39 OK 43 43 - 100 HE3 LYS 39 - HE3 LYS 39 OK 36 36 - 100 Peak 3049 from cnoeabs.peaks (4.62, 4.62, 53.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASN 74 + HA ASN 74 OK 100 100 - 100 HA ASN 80 + HA ASN 80 OK 97 97 - 100 Peak 3050 from cnoeabs.peaks (2.81, 4.62, 53.40 ppm; 3.11 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ASN 74 + HA ASN 74 OK 100 100 - 100 - 3.0=100 HB3 ASN 74 + HA ASN 74 OK 57 57 - 100 - 3.0=100 HB2 ASN 74 - HA ASN 80 OK 21 99 - 21 - 3055=4, 1.8/3061=2...(11) HB3 ASN 74 - HA ASN 80 poor 9 55 - 16 - 1.8/3055=4, 4.0/796=2...(8) HB2 TYR 55 - HA ASN 74 lone 8 97 - 8 - ~2369=2, ~2375=2...(4) HB2 TYR 55 - HA ASN 80 lone 1 95 - 1 - HB3 ASP 67 - HA ASN 74 lone 1 65 - 1 - HB3 ASP 67 - HA ASN 80 lone 0 63 - 1 - Peak 3051 from cnoeabs.peaks (2.78, 4.62, 53.40 ppm; 3.04 A): 3 out of 12 assignments used, quality = 1.00: * HB3 ASN 74 + HA ASN 74 OK 100 100 - 100 - 3.0=100 HB3 ASN 80 + HA ASN 80 OK 68 68 - 100 - 3.0=100 HB2 ASN 74 + HA ASN 74 OK 57 57 - 100 - 3.0=100 HB3 ASN 74 - HA ASN 80 OK 19 99 - 20 - 1.8/3055=4, 3061=3...(11) HB3 ASN 80 - HA ASN 74 OK 15 71 - 21 - 1.8/5423=6, 6012=3...(7) HB2 ASN 74 - HA ASN 80 poor 10 55 - 18 - 1.8/3061=2, 4.0/796=2...(10) HB2 TYR 55 - HA ASN 74 lone 6 83 - 7 - ~2369=2, ~2375=2, ~4556=1 HB3 ASN 42 - HA ASN 80 lone 2 76 - 3 - HB2 ASN 42 - HA ASN 80 lone 2 71 - 3 - HB3 ASN 42 - HA ASN 74 lone 1 78 - 2 - HB2 ASN 42 - HA ASN 74 lone 1 73 - 2 - HB2 TYR 55 - HA ASN 80 lone 0 80 - 1 - Peak 3054 from cnoeabs.peaks (8.15, 2.81, 38.52 ppm; 4.67 A): 2 out of 14 assignments used, quality = 1.00: * H ASN 74 + HB2 ASN 74 OK 100 100 - 100 - 4.0=100 H ASN 74 + HB3 ASN 74 OK 57 57 - 100 - 4.0=100 H LEU 57 - HB2 ASN 74 OK 26 100 - 26 - 5744=7, 5744/1.8=6...(5) H ARG 26 - HB2 ASN 74 OK 22 81 - 28 - 3.0/6010=7, ~6009=4...(8) H ALA 78 - HB2 ASN 74 OK 14 100 - 14 - 3.6/5058=5, ~6040=3...(4) H LEU 57 - HB3 ASN 74 OK 14 57 - 25 - 5744/1.8=7, 5744=6...(5) H ARG 26 - HB3 ASN 74 poor 10 39 - 25 - 3.0/5836=5, ~6010=5...(8) H ARG 27 - HB2 ASN 74 poor 7 68 - 11 - 3.6/6010=6, 4.6/797=2 H ALA 78 - HB3 ASN 74 poor 6 57 - 11 - ~6040=3, 3.6/5058=3...(4) H ARG 27 - HB3 ASN 74 lone 3 32 - 8 - 3.6/5836=5 H ILE 89 - HB2 ASN 74 lone 1 81 - 2 - H THR 88 - HB2 ASN 74 lone 1 81 - 2 - H ILE 89 - HB3 ASN 74 lone 1 39 - 2 - H THR 88 - HB3 ASN 74 lone 1 39 - 1 - Peak 3055 from cnoeabs.peaks (4.62, 2.81, 38.52 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HA ASN 74 + HB2 ASN 74 OK 100 100 - 100 - 3.0=100 HA ASN 74 + HB3 ASN 74 OK 57 57 - 100 - 3.0=100 HA ASN 80 - HB2 ASN 74 OK 28 99 - 28 - 3050=5, 796/4.0=3...(13) HA ASN 80 - HB3 ASN 74 OK 12 55 - 22 - 3050/1.8=5, 796/4.0=3...(9) HA PRO 36 - HB2 ASN 74 lone 4 98 - 4 - ~1780=1 HA PRO 36 - HB3 ASN 74 lone 2 54 - 4 - ~1780=1 Peak 3056 from cnoeabs.peaks (2.81, 2.81, 38.52 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 74 + HB2 ASN 74 OK 100 100 - 100 HB3 ASN 74 - HB3 ASN 74 OK 26 26 - 100 Peak 3057 from cnoeabs.peaks (2.78, 2.81, 38.52 ppm; diagonal): 2 out of 2 assignments used, quality = 0.82: HB3 ASN 74 + HB3 ASN 74 OK 57 57 - 100 HB2 ASN 74 + HB2 ASN 74 OK 57 57 - 100 Reference assignment not found: HB3 ASN 74 - HB2 ASN 74 Peak 3058 from cnoeabs.peaks (7.61, 2.81, 38.52 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HD21 ASN 74 + HB2 ASN 74 OK 100 100 - 100 - 3.5=100 HD21 ASN 74 + HB3 ASN 74 OK 57 57 - 100 - 3.5=100 H VAL 41 - HB2 ASN 74 lone 4 92 - 4 - 5623/1.8=2, 457/3.5=1 HD21 ASN 42 - HB2 ASN 74 lone 3 93 - 3 - H VAL 41 - HB3 ASN 74 lone 2 48 - 3 - 457/3.5=1 HD21 ASN 42 - HB3 ASN 74 lone 1 49 - 2 - Peak 3059 from cnoeabs.peaks (6.90, 2.81, 38.52 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 74 + HB2 ASN 74 OK 100 100 - 100 - 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 57 57 - 100 - 3.5=100 HD22 ASN 80 - HB2 ASN 74 OK 29 99 - 30 - 455=5, 452/3.5=5...(7) HD22 ASN 80 - HB3 ASN 74 OK 10 54 - 19 - 455/1.8=5, 452/3.5=5...(5) Peak 3060 from cnoeabs.peaks (8.15, 2.78, 38.52 ppm; 4.71 A): 2 out of 21 assignments used, quality = 1.00: * H ASN 74 + HB3 ASN 74 OK 100 100 - 100 - 4.0=100 H ASN 74 + HB2 ASN 74 OK 57 57 - 100 - 4.0=100 H LEU 57 - HB3 ASN 74 OK 25 100 - 24 - 5744/1.8=7, 5744=6...(5) H ARG 26 - HB3 ASN 74 OK 22 81 - 27 - 3.0/6009=6, ~6010=5...(8) H ASN 74 - HB3 ASN 80 OK 21 69 - 30 - ~5423=7, 796/3.0=7...(8) H ALA 78 - HB3 ASN 80 OK 20 68 - 30 - 3.6/6046=10, ~5859=5...(9) H LEU 57 - HB2 ASN 74 OK 15 57 - 25 - 5744=7, 5744/1.8=6...(5) H ALA 78 - HB3 ASN 74 OK 14 100 - 14 - 3.6/5057=4, ~6040=3...(6) H ARG 26 - HB2 ASN 74 OK 10 39 - 25 - 3.0/5836=5, ~6009=4...(8) H ARG 27 - HB3 ASN 74 lone 7 68 - 10 - 3.6/6009=5, 4.6/798=2 H ALA 78 - HB2 ASN 74 poor 6 57 - 11 - ~6040=3, 3.6/5057=2, ~6041=1 H ARG 27 - HB2 ASN 74 lone 3 32 - 9 - 3.6/5836=5, 4.6/797=1 H ILE 89 - HB3 ASN 74 lone 2 81 - 2 - H THR 88 - HB3 ASN 74 lone 1 81 - 2 - H ARG 26 - HB3 ASN 80 lone 1 48 - 2 - H LEU 57 - HB3 ASN 80 lone 1 69 - 2 - H ILE 89 - HB3 ASN 80 lone 1 48 - 1 - H ARG 27 - HB3 ASN 80 lone 1 39 - 2 - H THR 88 - HB3 ASN 80 lone 1 48 - 1 - H ILE 89 - HB2 ASN 74 lone 1 39 - 2 - H THR 88 - HB2 ASN 74 lone 1 39 - 2 - Peak 3061 from cnoeabs.peaks (4.62, 2.78, 38.52 ppm; 3.52 A): 3 out of 9 assignments used, quality = 1.00: * HA ASN 74 + HB3 ASN 74 OK 100 100 - 100 - 3.0=100 HA ASN 80 + HB3 ASN 80 OK 66 66 - 100 - 3.0=100 HA ASN 74 + HB2 ASN 74 OK 57 57 - 100 - 3.0=100 HA ASN 80 - HB3 ASN 74 OK 25 99 - 25 - 3050/1.8=4, 3051=3...(12) HA ASN 74 - HB3 ASN 80 OK 18 69 - 27 - 5423/1.8=8, 5422/3.8=4...(10) HA ASN 80 - HB2 ASN 74 OK 13 55 - 24 - 796/4.0=3, 3050=3...(13) HA PRO 36 - HB3 ASN 74 lone 4 98 - 4 - ~1780=1 HA PRO 36 - HB3 ASN 80 lone 3 65 - 4 - 5423/1.8=1 HA PRO 36 - HB2 ASN 74 lone 2 54 - 4 - ~1780=1 Peak 3062 from cnoeabs.peaks (2.81, 2.78, 38.52 ppm; diagonal): 2 out of 2 assignments used, quality = 0.82: HB3 ASN 74 + HB3 ASN 74 OK 57 57 - 100 HB2 ASN 74 + HB2 ASN 74 OK 57 57 - 100 Reference assignment not found: HB2 ASN 74 - HB3 ASN 74 Peak 3063 from cnoeabs.peaks (2.78, 2.78, 38.52 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 74 + HB3 ASN 74 OK 100 100 - 100 HB3 ASN 80 - HB3 ASN 80 OK 41 41 - 100 HB2 ASN 74 - HB2 ASN 74 OK 26 26 - 100 Peak 3064 from cnoeabs.peaks (7.61, 2.78, 38.52 ppm; 4.62 A): 2 out of 9 assignments used, quality = 1.00: * HD21 ASN 74 + HB3 ASN 74 OK 100 100 - 100 - 3.5=100 HD21 ASN 74 + HB2 ASN 74 OK 57 57 - 100 - 3.5=100 HD21 ASN 74 - HB3 ASN 80 OK 19 69 - 28 - ~5871=7, ~6017=6...(8) H VAL 41 - HB3 ASN 74 lone 9 92 - 10 - 5623=2, 4.0/4351=2...(5) H VAL 41 - HB3 ASN 80 lone 5 58 - 8 - 5631/3.5=2, 5623=2 HD21 ASN 42 - HB3 ASN 74 lone 5 93 - 5 - H VAL 41 - HB2 ASN 74 lone 3 48 - 6 - 5623/1.8=2, 457/3.5=1 HD21 ASN 42 - HB3 ASN 80 lone 2 59 - 4 - HD21 ASN 42 - HB2 ASN 74 lone 2 49 - 4 - Peak 3065 from cnoeabs.peaks (6.90, 2.78, 38.52 ppm; 4.96 A): 3 out of 6 assignments used, quality = 1.00: * HD22 ASN 74 + HB3 ASN 74 OK 100 100 - 100 - 3.5=100 HD22 ASN 80 + HB3 ASN 80 OK 65 65 - 100 - 3.5=100 HD22 ASN 74 + HB2 ASN 74 OK 57 57 - 100 - 3.5=100 HD22 ASN 80 - HB3 ASN 74 OK 26 99 - 27 - 455/1.8=5, 452/3.5=5...(8) HD22 ASN 74 - HB3 ASN 80 OK 19 69 - 28 - 5871/1.8=9, 6013/3.5=5...(7) HD22 ASN 80 - HB2 ASN 74 OK 14 54 - 26 - 452/3.5=5, ~5881=5...(7) Peak 3066 from cnoeabs.peaks (8.09, 4.24, 56.87 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 75 + HA LYS 75 OK 100 100 - 100 - 3.0=100 H LYS 85 - HA LYS 75 OK 32 93 - 34 - 849=4, 3076/3.0=3...(14) H ARG 71 - HA LYS 75 OK 18 92 - 19 - 4.6/3975=4, 303/3.6=4...(6) Peak 3067 from cnoeabs.peaks (4.24, 4.24, 56.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 75 + HA LYS 75 OK 100 100 - 100 Peak 3068 from cnoeabs.peaks (1.84, 4.24, 56.87 ppm; 3.34 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 75 + HA LYS 75 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 + HA LYS 75 OK 46 96 - 48 - 1843=5, 2.9/1873=4...(20) HB2 LYS 73 - HA LYS 75 OK 31 83 - 37 - 3077=3, 340/3.6=3...(13) HB2 ARG 71 - HA LYS 75 OK 11 97 - 11 - 4.0/3066=2, 803/3.0=1, 340/3.6=1 HB3 ARG 71 - HA LYS 75 OK 10 97 - 11 - 4.0/3066=2, 803/3.0=1, 340/3.6=1 HB ILE 89 - HA LYS 75 lone 7 85 - 9 - HB2 ARG 23 - HA LYS 75 lone 7 100 - 7 - HB3 ARG 23 - HA LYS 75 lone 7 100 - 7 - HB2 ARG 27 - HA LYS 75 lone 4 97 - 4 - HB3 ARG 27 - HA LYS 75 lone 4 97 - 4 - HB2 ARG 17 - HA LYS 75 lone 2 100 - 2 - Peak 3069 from cnoeabs.peaks (1.79, 4.24, 56.87 ppm; 3.24 A): 1 out of 16 assignments used, quality = 1.00: * HB3 LYS 75 + HA LYS 75 OK 100 100 - 100 - 3.0=100 HB3 LYS 39 - HA LYS 75 OK 42 100 - 43 - 2.9/1873=4, 2.9/1863=4...(19) HB3 LYS 73 - HA LYS 75 OK 32 97 - 33 - 2.9/3070=2, 1.8/3077=2...(10) HB2 LYS 13 - HA LYS 75 OK 29 100 - 29 - 1.8/3072=3, 3.5/3072=3...(11) HB2 LYS 85 - HA LYS 75 OK 27 92 - 29 - 4.0/3066=3, 1.8/3444=3...(10) HB2 ARG 69 - HA LYS 75 OK 26 92 - 28 - 3941/3.6=4, 1.8/3071=3...(10) HB2 LYS 83 - HA LYS 75 OK 13 99 - 13 - 1.8/3298=1, 4.0/831=1 HB3 LYS 32 - HA LYS 75 poor 10 93 - 10 - 341/3.6=1 HB2 LYS 32 - HA LYS 75 poor 10 93 - 10 - 341/3.6=1 HB3 ARG 84 - HA LYS 75 lone 7 92 - 8 - 4.6/3066=2 HB2 LEU 57 - HA LYS 75 lone 3 81 - 3 - HB3 ARG 82 - HA LYS 75 lone 2 78 - 3 - HB2 ARG 54 - HA LYS 75 lone 2 78 - 3 - HB2 PRO 34 - HA LYS 75 lone 2 99 - 2 - HB ILE 33 - HA LYS 75 lone 2 85 - 2 - HG2 PRO 34 - HA LYS 75 lone 1 63 - 2 - Peak 3070 from cnoeabs.peaks (1.39, 4.24, 56.87 ppm; 3.37 A): 2 out of 12 assignments used, quality = 0.97: * HG2 LYS 75 + HA LYS 75 OK 81 100 - 81 - 3.9=65, 4.9/3975=7...(15) HG3 LYS 75 + HA LYS 75 OK 81 100 - 81 - 3.9=65, 4.9/3975=7...(15) HG3 LYS 39 - HA LYS 75 OK 41 92 - 45 - 1873=6, 2.9/3068=5...(15) HG3 LYS 73 - HA LYS 75 OK 34 100 - 35 - 2.9/3068=4, 2.9/3069=3...(11) HB3 ARG 69 - HA LYS 75 OK 27 100 - 27 - 3942/3.6=4, 1.8/3069=3...(9) HG2 LYS 85 - HA LYS 75 OK 25 96 - 26 - 2.9/3069=2, 4.8/3066=2...(9) HG3 ARG 69 - HA LYS 75 OK 21 95 - 22 - 3944/3.6=4, 2818/3.0=2...(7) QB ALA 77 - HA LYS 75 OK 12 93 - 13 - 2.9/817=3, 6114/4.7=2...(4) HG2 LYS 83 - HA LYS 75 lone 7 81 - 9 - 2.9/3069=1, 2.9/3298=1 QB ALA 78 - HA LYS 75 lone 7 100 - 7 - 4962/4.7=2 QB ALA 53 - HA LYS 75 lone 4 100 - 4 - 4962/4.7=1 QB ALA 20 - HA LYS 75 lone 4 96 - 4 - Peak 3071 from cnoeabs.peaks (1.39, 4.24, 56.87 ppm; 3.37 A): 2 out of 12 assignments used, quality = 0.97: HG2 LYS 75 + HA LYS 75 OK 81 100 - 81 - 3.9=65, 4.9/3975=7...(15) * HG3 LYS 75 + HA LYS 75 OK 81 100 - 81 - 3.9=65, 4.9/3975=7...(15) HG3 LYS 39 - HA LYS 75 OK 41 92 - 45 - 1873=6, 2.9/3068=5...(15) HG3 LYS 73 - HA LYS 75 OK 34 100 - 35 - 2.9/3068=4, 2.9/3069=3...(11) HB3 ARG 69 - HA LYS 75 OK 27 100 - 27 - 3942/3.6=4, 1.8/3069=3...(9) HG2 LYS 85 - HA LYS 75 OK 25 96 - 26 - 2.9/3069=2, 4.8/3066=2...(9) HG3 ARG 69 - HA LYS 75 OK 21 95 - 22 - 3944/3.6=4, 2818/3.0=2...(7) QB ALA 77 - HA LYS 75 OK 12 93 - 13 - 2.9/817=3, 6114/4.7=2...(4) HG2 LYS 83 - HA LYS 75 lone 7 81 - 9 - 2.9/3069=1, 2.9/3298=1 QB ALA 78 - HA LYS 75 lone 7 100 - 7 - 4962/4.7=2 QB ALA 53 - HA LYS 75 lone 4 100 - 4 - 4962/4.7=1 QB ALA 20 - HA LYS 75 lone 4 96 - 4 - Peak 3072 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 3.92 A): 4 out of 8 assignments used, quality = 0.99: HD3 LYS 75 + HA LYS 75 OK 82 100 - 82 - 4.7=59, 2.9/3071=8...(20) * HD2 LYS 75 + HA LYS 75 OK 82 100 - 82 - 4.7=59, 2.9/3071=8...(20) HD3 LYS 13 + HA LYS 75 OK 46 100 - 46 - 3117=4, 1.8/3117=3...(19) HD2 LYS 13 + HA LYS 75 OK 46 100 - 46 - 3127=4, 1.8/3127=3...(19) HB3 LYS 13 - HA LYS 75 OK 33 89 - 37 - 1.8/3069=4, 1011/3.0=3...(16) HG LEU 29 - HA LYS 75 lone 8 97 - 9 - 1497/3.6=2, 4.9/3975=1 HG2 ARG 23 - HA LYS 75 lone 8 99 - 8 - 3.0/3068=1, 3.0/3068=1 HB3 GLN 61 - HA LYS 75 lone 5 100 - 5 - Peak 3073 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 3.92 A): 4 out of 8 assignments used, quality = 0.99: * HD3 LYS 75 + HA LYS 75 OK 82 100 - 82 - 4.7=59, 2.9/3071=8...(20) HD2 LYS 75 + HA LYS 75 OK 82 100 - 82 - 4.7=59, 2.9/3071=8...(20) HD3 LYS 13 + HA LYS 75 OK 46 100 - 46 - 3117=4, 1.8/3117=3...(19) HD2 LYS 13 + HA LYS 75 OK 46 100 - 46 - 3127=4, 1.8/3127=3...(19) HB3 LYS 13 - HA LYS 75 OK 33 89 - 37 - 1.8/3069=4, 1011/3.0=3...(16) HG LEU 29 - HA LYS 75 lone 8 97 - 9 - 1497/3.6=2, 4.9/3975=1 HG2 ARG 23 - HA LYS 75 lone 8 99 - 8 - 3.0/3068=1, 3.0/3068=1 HB3 GLN 61 - HA LYS 75 lone 5 100 - 5 - Peak 3075 from cnoeabs.peaks (2.96, 4.24, 56.87 ppm; 5.59 A): 8 out of 12 assignments used, quality = 1.00: * HE3 LYS 75 + HA LYS 75 OK 92 100 - 92 - 6.4=66, 2.9/3073=13...(45) HE2 LYS 75 + HA LYS 75 OK 92 100 - 92 - 6.4=66, 2.9/3073=13...(45) HE3 LYS 13 + HA LYS 75 OK 57 99 - 58 - 2.9/3072=7, 2.9/3072=7...(35) HE2 LYS 13 + HA LYS 75 OK 57 99 - 58 - 2.9/3072=7, 2.9/3072=7...(37) HE2 LYS 39 + HA LYS 75 OK 54 89 - 61 - 3.6/1863=9, 3.6/1873=9...(23) HE3 LYS 39 + HA LYS 75 OK 52 85 - 61 - 3.6/1863=9, 3.6/1873=9...(23) HE2 LYS 73 + HA LYS 75 OK 49 99 - 50 - 4.7/3068=5, 3.7/3071=5...(18) HE3 LYS 73 + HA LYS 75 OK 49 99 - 50 - 4.7/3068=5, 3.7/3071=5...(18) HE3 LYS 32 - HA LYS 75 OK 27 99 - 26 - 4.6/3069=1, 4.6/3069=1 HE2 LYS 32 - HA LYS 75 OK 27 99 - 26 - 4.6/3069=1, 4.6/3069=1 HB3 TYR 55 - HA LYS 75 lone 7 81 - 9 - ~4666=2, ~334=2 HB3 TYR 81 - HA LYS 75 lone 4 85 - 5 - ~4683=1 Peak 3076 from cnoeabs.peaks (8.09, 1.84, 32.59 ppm; 4.35 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 4.0=100 H LYS 75 - HB2 LYS 39 OK 39 87 - 46 - 3.0/3068=8, 803=6...(19) H LYS 75 - HB2 LYS 73 OK 38 77 - 50 - 4.6/324=9, 803=6...(20) H LYS 85 - HB2 LYS 75 OK 28 93 - 30 - 3066/3.0=6, 803=2...(10) H LYS 85 - HB2 LYS 73 OK 21 67 - 32 - 377/3.0=4, 853/2.9=3...(16) H ARG 71 - HB2 LYS 75 OK 17 92 - 19 - 3066/3.0=4, 303/4.6=3...(6) H ARG 71 - HB2 LYS 73 OK 17 65 - 26 - 942/4.0=6, 3.6/5061=3...(9) H LYS 85 - HB2 LYS 39 poor 9 77 - 11 - H ARG 71 - HB2 LYS 39 lone 5 75 - 6 - Peak 3077 from cnoeabs.peaks (4.24, 1.84, 32.59 ppm; 3.34 A): 3 out of 33 assignments used, quality = 1.00: * HA LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB2 LYS 39 OK 85 85 - 100 - 3.0=100 HA LYS 39 + HB2 LYS 75 OK 52 99 - 53 - 1834=10, 1835/1.8=5...(21) HA LYS 75 - HB2 LYS 39 OK 45 87 - 52 - 3068=10, 3069/1.8=5...(22) HA LYS 75 - HB2 LYS 73 OK 32 77 - 41 - 3068=7, 3069/1.8=4...(12) HA LEU 64 - HB2 LYS 39 OK 26 73 - 35 - 2616/2.9=4, 1873/2.9=4...(18) HA LYS 85 - HB2 LYS 75 OK 24 92 - 26 - 3425/1.8=2, 2.9/3076=2...(6) HA LYS 85 - HB2 LYS 73 OK 19 65 - 29 - 3279/1.8=2, 3427/2.9=2...(5) HA LYS 83 - HB2 LYS 75 OK 13 100 - 13 - 3279/1.8=1 HA LYS 39 - HB2 LYS 73 OK 12 75 - 17 - 1835/1.8=2, 1837/2.9=2...(4) HA LYS 83 - HB2 LYS 73 OK 11 77 - 14 - ~3287=1, 3279/1.8=1, ~361=1 HA ALA 77 - HB2 LYS 75 OK 10 97 - 11 - 339/4.6=3, ~817=1 HA LYS 83 - HB2 LYS 39 lone 9 87 - 10 - 1873/2.9=1 HA LYS 85 - HB2 LYS 39 poor 8 75 - 10 - HA LEU 64 - HB2 LYS 75 lone 7 90 - 8 - 339/4.6=1 HB THR 37 - HB2 LYS 39 lone 6 64 - 9 - 128/4.4=2, 592/4.0=2...(4) HA ALA 77 - HB2 LYS 73 lone 5 70 - 7 - 3988/4.3=3 HA ALA 20 - HB2 LYS 75 lone 3 89 - 3 - HA ALA 20 - HB2 LYS 39 lone 3 72 - 3 - HA GLU 19 - HB2 LYS 39 lone 2 78 - 3 - HA THR 15 - HB2 LYS 75 lone 2 100 - 2 - HA ALA 77 - HB2 LYS 39 lone 2 81 - 3 - HB THR 37 - HB2 LYS 75 lone 2 81 - 3 - HA THR 15 - HB2 LYS 39 lone 2 87 - 3 - HA GLU 19 - HB2 LYS 75 lone 2 95 - 2 - HA THR 15 - HB2 LYS 73 lone 2 77 - 2 - HA ALA 12 - HB2 LYS 75 lone 2 93 - 2 - HA LEU 64 - HB2 LYS 73 lone 2 64 - 3 - HA ALA 12 - HB2 LYS 39 lone 2 77 - 2 - HA GLU 19 - HB2 LYS 73 lone 1 68 - 1 - HA ALA 20 - HB2 LYS 73 lone 1 62 - 1 - HB THR 37 - HB2 LYS 73 lone 1 55 - 1 - HA ALA 12 - HB2 LYS 73 lone 1 67 - 1 - Peak 3078 from cnoeabs.peaks (1.84, 1.84, 32.59 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 75 + HB2 LYS 75 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 79 79 - 100 HB2 LYS 73 + HB2 LYS 73 OK 57 57 - 100 Peak 3079 from cnoeabs.peaks (1.79, 1.84, 32.59 ppm; 2.40 A): 3 out of 48 assignments used, quality = 1.00: * HB3 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 1.8=100 HB3 LYS 39 + HB2 LYS 39 OK 86 86 - 100 - 1.8=100 HB3 LYS 73 + HB2 LYS 73 OK 72 72 - 100 - 1.8=100 HB3 LYS 39 - HB2 LYS 75 OK 27 100 - 27 - 3.0/1834=3, 2.9/1864=2...(6) HB3 LYS 75 - HB2 LYS 39 OK 24 87 - 27 - 3.0/3068=3, 1835/3.0=2...(11) HB3 LYS 73 - HB2 LYS 75 OK 16 97 - 17 - 3069/3.0=1 HB2 LYS 13 - HB2 LYS 75 OK 15 100 - 15 - 3069/3.0=1, ~1011=1 HB2 ARG 69 - HB2 LYS 75 OK 13 92 - 14 - 3941/4.6=1, 2795/2.7=1...(5) HB3 LYS 75 - HB2 LYS 73 OK 13 77 - 17 - 3.0/3068=2 HB2 LYS 85 - HB2 LYS 75 OK 12 92 - 14 - 3069/3.0=1 HB2 PRO 34 - HB2 LYS 39 poor 10 84 - 12 - HB2 ARG 54 - HB2 LYS 39 poor 10 62 - 16 - 2310/2.9=1, 1835/3.0=1...(5) HB2 LYS 13 - HB2 LYS 39 poor 9 87 - 11 - HB2 LYS 85 - HB2 LYS 73 poor 9 65 - 14 - HB3 LYS 32 - HB2 LYS 73 poor 8 67 - 12 - HB2 LYS 32 - HB2 LYS 73 poor 8 67 - 12 - HB2 LYS 13 - HB2 LYS 73 poor 8 77 - 10 - HB2 ARG 69 - HB2 LYS 73 poor 7 65 - 11 - HB3 LYS 73 - HB2 LYS 39 lone 7 82 - 8 - HB3 ARG 84 - HB2 LYS 73 lone 6 65 - 10 - HB2 LYS 83 - HB2 LYS 75 lone 6 99 - 6 - HB3 LYS 32 - HB2 LYS 39 lone 6 77 - 7 - HB2 LYS 32 - HB2 LYS 39 lone 6 77 - 7 - HB2 ARG 69 - HB2 LYS 39 lone 5 75 - 7 - HB3 LYS 39 - HB2 LYS 73 lone 5 75 - 7 - HG2 PRO 34 - HB2 LYS 39 lone 5 48 - 10 - HB3 LYS 32 - HB2 LYS 75 lone 4 93 - 5 - HB2 LYS 32 - HB2 LYS 75 lone 4 93 - 5 - HB2 LYS 85 - HB2 LYS 39 lone 4 75 - 5 - HB2 LYS 83 - HB2 LYS 73 lone 4 75 - 5 - HB2 LEU 57 - HB2 LYS 73 lone 4 55 - 6 - HB3 ARG 84 - HB2 LYS 75 lone 3 92 - 4 - HB2 LYS 83 - HB2 LYS 39 lone 3 85 - 4 - HB3 ARG 84 - HB2 LYS 39 lone 3 75 - 4 - HB3 ARG 82 - HB2 LYS 73 lone 2 53 - 5 - HB2 LEU 57 - HB2 LYS 39 lone 2 64 - 4 - HB3 ARG 82 - HB2 LYS 39 lone 2 62 - 3 - HB2 ARG 54 - HB2 LYS 75 lone 2 78 - 2 - HB ILE 33 - HB2 LYS 39 lone 2 68 - 2 - HB2 ARG 54 - HB2 LYS 73 lone 1 53 - 3 - HB2 LEU 57 - HB2 LYS 75 lone 1 81 - 2 - HB2 PRO 34 - HB2 LYS 75 lone 1 99 - 1 - HB3 ARG 82 - HB2 LYS 75 lone 1 78 - 1 - HB2 PRO 34 - HB2 LYS 73 lone 1 73 - 1 - HB ILE 33 - HB2 LYS 73 lone 1 59 - 2 - HB ILE 33 - HB2 LYS 75 lone 1 85 - 1 - HG2 PRO 34 - HB2 LYS 75 lone 1 63 - 1 - HG2 PRO 34 - HB2 LYS 73 lone 1 41 - 2 - Peak 3080 from cnoeabs.peaks (1.39, 1.84, 32.59 ppm; 3.44 A): 7 out of 36 assignments used, quality = 1.00: * HG2 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 - 100 - 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 - 100 - 2.9=100 HG2 LYS 75 + HB2 LYS 39 OK 54 87 - 63 - 1867/2.9=4, 3.9/3068=4...(30) HG3 LYS 75 + HB2 LYS 39 OK 54 87 - 63 - 1867/2.9=4, 3.9/3068=4...(30) HG3 LYS 39 + HB2 LYS 75 OK 47 92 - 51 - 1.8/1864=6, 1874=5...(20) HG3 LYS 75 - HB2 LYS 73 OK 37 77 - 48 - 3.9/3068=3, 3108=2...(15) HG2 LYS 75 - HB2 LYS 73 OK 37 77 - 48 - 3.9/3068=3, 3098=2...(15) HG3 LYS 73 - HB2 LYS 75 OK 35 100 - 36 - 3070/3.0=3, 1.8/2990=2...(13) HB3 ARG 69 - HB2 LYS 75 OK 30 100 - 30 - 2802/1.8=4, 3942/4.6=3...(15) HG3 ARG 69 - HB2 LYS 75 OK 24 95 - 25 - 3944/4.6=3, 2818/1.8=3...(9) HG2 LYS 85 - HB2 LYS 75 OK 22 96 - 23 - 3070/3.0=2, 4.8/3076=1...(4) HB3 ARG 69 - HB2 LYS 73 OK 22 75 - 30 - 2802/1.8=3, 2800/4.0=2...(11) HG3 LYS 73 - HB2 LYS 39 OK 21 87 - 24 - 1867/2.9=2, 1837/3.0=2 HG2 LYS 85 - HB2 LYS 73 OK 20 69 - 29 - 3000=2, 2999/3.0=1...(7) HG3 ARG 69 - HB2 LYS 73 OK 17 68 - 25 - 2818/1.8=2, 2816/4.0=2...(6) HB3 ARG 69 - HB2 LYS 39 OK 15 86 - 17 - 2802/1.8=2, 6077/4.4=2...(4) HG3 LYS 39 - HB2 LYS 73 OK 14 65 - 21 - 1875/1.8=2, ~1865=1, ~1867=1 QB ALA 53 - HB2 LYS 39 OK 12 87 - 14 - 2296/4.4=2, 1837/3.0=2...(8) HG3 ARG 69 - HB2 LYS 39 poor 10 78 - 13 - 2818/1.8=2, 6077/4.4=1 QB ALA 53 - HB2 LYS 73 poor 9 76 - 12 - 2297/3.0=2, ~203=1...(4) QB ALA 77 - HB2 LYS 75 lone 9 93 - 10 - ~817=1, 5066/4.6=1, 806/4.0=1 HG2 LYS 85 - HB2 LYS 39 lone 7 79 - 9 - HG2 LYS 83 - HB2 LYS 75 lone 6 81 - 8 - QB ALA 78 - HB2 LYS 73 lone 6 77 - 8 - QB ALA 77 - HB2 LYS 73 lone 5 67 - 8 - 3989/4.3=3 QB ALA 53 - HB2 LYS 75 lone 5 100 - 5 - QB ALA 78 - HB2 LYS 75 lone 5 100 - 5 - HG2 LYS 83 - HB2 LYS 73 lone 5 55 - 8 - QB ALA 20 - HB2 LYS 75 lone 3 96 - 4 - QB ALA 20 - HB2 LYS 39 lone 3 79 - 4 - HG2 LYS 83 - HB2 LYS 39 lone 3 64 - 4 - QB ALA 77 - HB2 LYS 39 lone 2 77 - 2 - QB ALA 78 - HB2 LYS 39 lone 2 87 - 2 - QB ALA 20 - HB2 LYS 73 lone 1 69 - 2 - Peak 3081 from cnoeabs.peaks (1.39, 1.84, 32.59 ppm; 3.44 A): 7 out of 36 assignments used, quality = 1.00: HG2 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 2.7=100 * HG3 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 - 100 - 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 - 100 - 2.9=100 HG2 LYS 75 + HB2 LYS 39 OK 54 87 - 63 - 1867/2.9=4, 3.9/3068=4...(30) HG3 LYS 75 + HB2 LYS 39 OK 54 87 - 63 - 1867/2.9=4, 3.9/3068=4...(30) HG3 LYS 39 + HB2 LYS 75 OK 47 92 - 51 - 1.8/1864=6, 1874=5...(20) HG3 LYS 75 - HB2 LYS 73 OK 37 77 - 48 - 3.9/3068=3, 3108=2...(15) HG2 LYS 75 - HB2 LYS 73 OK 37 77 - 48 - 3.9/3068=3, 3098=2...(15) HG3 LYS 73 - HB2 LYS 75 OK 35 100 - 36 - 3070/3.0=3, 1.8/2990=2...(13) HB3 ARG 69 - HB2 LYS 75 OK 30 100 - 30 - 2802/1.8=4, 3942/4.6=3...(15) HG3 ARG 69 - HB2 LYS 75 OK 24 95 - 25 - 3944/4.6=3, 2818/1.8=3...(9) HG2 LYS 85 - HB2 LYS 75 OK 22 96 - 23 - 3070/3.0=2, 4.8/3076=1...(4) HB3 ARG 69 - HB2 LYS 73 OK 22 75 - 30 - 2802/1.8=3, 2800/4.0=2...(11) HG3 LYS 73 - HB2 LYS 39 OK 21 87 - 24 - 1867/2.9=2, 1837/3.0=2 HG2 LYS 85 - HB2 LYS 73 OK 20 69 - 29 - 3000=2, 2999/3.0=1...(7) HG3 ARG 69 - HB2 LYS 73 OK 17 68 - 25 - 2818/1.8=2, 2816/4.0=2...(6) HB3 ARG 69 - HB2 LYS 39 OK 15 86 - 17 - 2802/1.8=2, 6077/4.4=2...(4) HG3 LYS 39 - HB2 LYS 73 OK 14 65 - 21 - 1875/1.8=2, ~1865=1, ~1867=1 QB ALA 53 - HB2 LYS 39 OK 12 87 - 14 - 2296/4.4=2, 1837/3.0=2...(8) HG3 ARG 69 - HB2 LYS 39 poor 10 78 - 13 - 2818/1.8=2, 6077/4.4=1 QB ALA 53 - HB2 LYS 73 poor 9 76 - 12 - 2297/3.0=2, ~203=1...(4) QB ALA 77 - HB2 LYS 75 lone 9 93 - 10 - ~817=1, 5066/4.6=1, 806/4.0=1 HG2 LYS 85 - HB2 LYS 39 lone 7 79 - 9 - HG2 LYS 83 - HB2 LYS 75 lone 6 81 - 8 - QB ALA 78 - HB2 LYS 73 lone 6 77 - 8 - QB ALA 77 - HB2 LYS 73 lone 5 67 - 8 - 3989/4.3=3 QB ALA 53 - HB2 LYS 75 lone 5 100 - 5 - QB ALA 78 - HB2 LYS 75 lone 5 100 - 5 - HG2 LYS 83 - HB2 LYS 73 lone 5 55 - 8 - QB ALA 20 - HB2 LYS 75 lone 3 96 - 4 - QB ALA 20 - HB2 LYS 39 lone 3 79 - 4 - HG2 LYS 83 - HB2 LYS 39 lone 3 64 - 4 - QB ALA 77 - HB2 LYS 39 lone 2 77 - 2 - QB ALA 78 - HB2 LYS 39 lone 2 87 - 2 - QB ALA 20 - HB2 LYS 73 lone 1 69 - 2 - Peak 3082 from cnoeabs.peaks (1.66, 1.84, 32.59 ppm; 4.06 A): 6 out of 24 assignments used, quality = 1.00: * HD2 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 3.5=100 HD3 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 3.5=100 HD2 LYS 13 + HB2 LYS 75 OK 57 100 - 58 - 3072/3.0=5, 3128=3...(36) HD3 LYS 13 + HB2 LYS 75 OK 57 100 - 58 - 3072/3.0=5, 3128=3...(36) HD2 LYS 75 + HB2 LYS 39 OK 52 87 - 60 - 4.7/3068=5, 3128=3...(36) HD3 LYS 75 + HB2 LYS 39 OK 52 87 - 60 - 4.7/3068=5, 3118=3...(36) HD3 LYS 75 - HB2 LYS 73 OK 40 77 - 53 - 4.7/3068=3, 3118=2...(24) HD2 LYS 75 - HB2 LYS 73 OK 40 77 - 53 - 4.7/3068=3, 3128=2...(24) HD2 LYS 13 - HB2 LYS 39 OK 36 87 - 41 - 3118=2, ~1021=2...(12) HD3 LYS 13 - HB2 LYS 39 OK 36 87 - 41 - 3128=2, ~1021=2...(12) HB3 LYS 13 - HB2 LYS 75 OK 35 89 - 40 - 1011/1.8=4, 3073/3.0=3...(17) HD2 LYS 13 - HB2 LYS 73 OK 32 77 - 41 - ~1021=2, 3128=2...(7) HD3 LYS 13 - HB2 LYS 73 OK 32 77 - 41 - ~1021=2, 3118=2...(7) HB3 LYS 13 - HB2 LYS 39 OK 21 72 - 29 - 1011/1.8=3, 1013/2.9=3...(13) HB3 LYS 13 - HB2 LYS 73 OK 17 62 - 28 - 1011/1.8=3, 1014/2.9=2...(9) HG2 ARG 23 - HB2 LYS 39 OK 17 85 - 19 - 1289/2.9=2, 1.8/1846=2...(7) HG LEU 29 - HB2 LYS 73 OK 17 72 - 23 - 1498/3.0=3, 3766/4.0=3...(8) HG LEU 29 - HB2 LYS 39 poor 9 82 - 11 - ~5206=1, 2.1/5111=1 HG LEU 29 - HB2 LYS 75 lone 9 97 - 9 - 1497/4.6=2 HG2 ARG 23 - HB2 LYS 75 lone 8 99 - 8 - HB3 GLN 61 - HB2 LYS 75 lone 5 100 - 5 - 3.0/6031=1 HG2 ARG 23 - HB2 LYS 73 lone 3 75 - 3 - HB3 GLN 61 - HB2 LYS 73 lone 3 75 - 3 - HB3 GLN 61 - HB2 LYS 39 lone 2 86 - 3 - Peak 3083 from cnoeabs.peaks (1.66, 1.84, 32.59 ppm; 4.06 A): 6 out of 24 assignments used, quality = 1.00: HD2 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 3.5=100 * HD3 LYS 75 + HB2 LYS 75 OK 100 100 - 100 - 3.5=100 HD2 LYS 13 + HB2 LYS 75 OK 57 100 - 58 - 3072/3.0=5, 3128=3...(36) HD3 LYS 13 + HB2 LYS 75 OK 57 100 - 58 - 3072/3.0=5, 3128=3...(36) HD2 LYS 75 + HB2 LYS 39 OK 52 87 - 60 - 4.7/3068=5, 3128=3...(36) HD3 LYS 75 + HB2 LYS 39 OK 52 87 - 60 - 4.7/3068=5, 3118=3...(36) HD3 LYS 75 - HB2 LYS 73 OK 40 77 - 53 - 4.7/3068=3, 3118=2...(24) HD2 LYS 75 - HB2 LYS 73 OK 40 77 - 53 - 4.7/3068=3, 3128=2...(24) HD2 LYS 13 - HB2 LYS 39 OK 36 87 - 41 - 3118=2, ~1021=2...(12) HD3 LYS 13 - HB2 LYS 39 OK 36 87 - 41 - 3128=2, ~1021=2...(12) HB3 LYS 13 - HB2 LYS 75 OK 35 89 - 40 - 1011/1.8=4, 3073/3.0=3...(17) HD2 LYS 13 - HB2 LYS 73 OK 32 77 - 41 - ~1021=2, 3128=2...(7) HD3 LYS 13 - HB2 LYS 73 OK 32 77 - 41 - ~1021=2, 3118=2...(7) HB3 LYS 13 - HB2 LYS 39 OK 21 72 - 29 - 1011/1.8=3, 1013/2.9=3...(13) HB3 LYS 13 - HB2 LYS 73 OK 17 62 - 28 - 1011/1.8=3, 1014/2.9=2...(9) HG2 ARG 23 - HB2 LYS 39 OK 17 85 - 19 - 1289/2.9=2, 1.8/1846=2...(7) HG LEU 29 - HB2 LYS 73 OK 17 72 - 23 - 1498/3.0=3, 3766/4.0=3...(8) HG LEU 29 - HB2 LYS 39 poor 9 82 - 11 - ~5206=1, 2.1/5111=1 HG LEU 29 - HB2 LYS 75 lone 9 97 - 9 - 1497/4.6=2 HG2 ARG 23 - HB2 LYS 75 lone 8 99 - 8 - HB3 GLN 61 - HB2 LYS 75 lone 5 100 - 5 - 3.0/6031=1 HG2 ARG 23 - HB2 LYS 73 lone 3 75 - 3 - HB3 GLN 61 - HB2 LYS 73 lone 3 75 - 3 - HB3 GLN 61 - HB2 LYS 39 lone 2 86 - 3 - Peak 3084 from cnoeabs.peaks (2.96, 1.84, 32.59 ppm; 4.69 A): 11 out of 36 assignments used, quality = 1.00: HE3 LYS 75 + HB2 LYS 75 OK 95 100 - 95 - 5.0=85, 2.9/3128=6...(41) * HE2 LYS 75 + HB2 LYS 75 OK 95 100 - 95 - 5.0=85, 2.9/3118=6...(39) HE2 LYS 39 + HB2 LYS 39 OK 73 73 - 100 - 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 73 73 - 100 - 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 - 100 - 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 70 70 - 100 - 4.7=100 HE3 LYS 75 + HB2 LYS 39 OK 59 87 - 68 - 6.4/3068=4, 1870/2.9=3...(44) HE2 LYS 75 + HB2 LYS 39 OK 59 87 - 68 - 6.4/3068=4, 1870/2.9=3...(44) HE3 LYS 13 + HB2 LYS 75 OK 51 100 - 51 - ~3073=3, ~3072=3...(33) HE2 LYS 13 + HB2 LYS 75 OK 51 99 - 51 - ~3073=3, ~3072=3...(32) HE2 LYS 39 + HB2 LYS 75 OK 46 90 - 51 - 3.6/1864=7, 3.6/1874=7...(19) HE3 LYS 39 - HB2 LYS 75 OK 44 87 - 52 - 3.6/1864=7, 3.6/1874=7...(19) HE2 LYS 75 - HB2 LYS 73 OK 44 77 - 58 - 6146/2.9=3, 6.4/3068=2...(24) HE3 LYS 75 - HB2 LYS 73 OK 44 77 - 58 - 6146/2.9=3, 6.4/3068=2...(24) HE2 LYS 73 - HB2 LYS 75 OK 38 99 - 39 - 3.7/2990=2, 3075/3.0=2...(12) HE3 LYS 73 - HB2 LYS 75 OK 38 98 - 39 - 3.7/2990=2, 3075/3.0=2...(12) HE3 LYS 13 - HB2 LYS 39 OK 36 86 - 42 - 1870/2.9=2, 1880/2.9=2...(15) HE2 LYS 13 - HB2 LYS 39 OK 36 85 - 42 - 1870/2.9=2, 1880/2.9=2...(15) HE3 LYS 32 - HB2 LYS 73 OK 32 74 - 43 - 6146/2.9=2, 3.0/3020=2...(18) HE2 LYS 73 - HB2 LYS 39 OK 32 84 - 38 - 1870/2.9=2, 1880/2.9=2...(13) HE3 LYS 73 - HB2 LYS 39 OK 31 83 - 38 - 1870/2.9=2, 1880/2.9=1...(13) HE2 LYS 32 - HB2 LYS 73 OK 31 73 - 44 - 6146/2.9=2, 3.0/3010=2...(18) HE3 LYS 13 - HB2 LYS 73 OK 28 75 - 37 - 2.9/3128=2, 2.9/3118=2...(8) HE2 LYS 13 - HB2 LYS 73 OK 28 75 - 37 - 2.9/3128=2, 2.9/3128=2...(8) HE3 LYS 32 - HB2 LYS 39 OK 27 85 - 32 - 1870/2.9=1, 1880/2.9=1...(7) HE2 LYS 32 - HB2 LYS 39 OK 27 84 - 32 - 1870/2.9=1, 1880/2.9=1...(7) HE3 LYS 32 - HB2 LYS 75 OK 21 99 - 21 - 3075/3.0=1 HE2 LYS 32 - HB2 LYS 75 OK 21 99 - 21 - 3075/3.0=1 HB3 TYR 55 - HB2 LYS 39 OK 16 62 - 25 - 2.5/4666=7, ~4634=5...(9) HE2 LYS 39 - HB2 LYS 73 OK 16 64 - 24 - HE3 LYS 39 - HB2 LYS 73 OK 15 60 - 24 - HB3 TYR 81 - HB2 LYS 73 poor 8 60 - 13 - ~4683=2, ~4675=2...(5) HB3 TYR 81 - HB2 LYS 39 lone 7 70 - 9 - ~4684=3, ~4683=2 HB3 TYR 55 - HB2 LYS 75 lone 5 78 - 6 - 2.5/4666=2 HB3 TYR 81 - HB2 LYS 75 lone 5 87 - 5 - ~4685=1, ~4683=1 HB3 TYR 55 - HB2 LYS 73 lone 2 53 - 4 - Peak 3085 from cnoeabs.peaks (2.96, 1.84, 32.59 ppm; 4.69 A): 11 out of 36 assignments used, quality = 1.00: * HE3 LYS 75 + HB2 LYS 75 OK 95 100 - 95 - 5.0=85, 2.9/3128=6...(41) HE2 LYS 75 + HB2 LYS 75 OK 95 100 - 95 - 5.0=85, 2.9/3128=6...(39) HE2 LYS 73 + HB2 LYS 73 OK 74 74 - 100 - 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 73 73 - 100 - 4.7=100 HE2 LYS 39 + HB2 LYS 39 OK 72 72 - 100 - 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 68 68 - 100 - 4.7=100 HE3 LYS 75 + HB2 LYS 39 OK 59 87 - 68 - 6.4/3068=4, 3.5/3108=3...(44) HE2 LYS 75 + HB2 LYS 39 OK 59 87 - 68 - 6.4/3068=4, 3.5/3098=3...(44) HE3 LYS 13 + HB2 LYS 75 OK 51 99 - 51 - ~3073=3, ~3072=3...(33) HE2 LYS 13 + HB2 LYS 75 OK 50 99 - 51 - ~3073=3, ~3072=3...(32) HE2 LYS 39 + HB2 LYS 75 OK 45 89 - 51 - 3.6/1864=7, 3.6/1874=7...(19) HE3 LYS 75 - HB2 LYS 73 OK 44 77 - 58 - 6146/2.9=3, 6.4/3068=2...(24) HE2 LYS 75 - HB2 LYS 73 OK 44 77 - 58 - 6146/2.9=3, 6.4/3068=2...(24) HE3 LYS 39 - HB2 LYS 75 OK 43 85 - 52 - 3.6/1864=7, 3.6/1874=7...(19) HE2 LYS 73 - HB2 LYS 75 OK 38 99 - 39 - 3.7/2990=2, 3075/3.0=2...(12) HE3 LYS 73 - HB2 LYS 75 OK 38 99 - 39 - 3.7/2990=2, 3075/3.0=2...(12) HE3 LYS 13 - HB2 LYS 39 OK 36 85 - 42 - 1870/2.9=2, 1880/2.9=2...(15) HE2 LYS 13 - HB2 LYS 39 OK 36 85 - 42 - 1870/2.9=2, 1880/2.9=2...(15) HE3 LYS 32 - HB2 LYS 73 OK 32 75 - 43 - 6146/2.9=2, 3.0/3020=2...(18) HE2 LYS 73 - HB2 LYS 39 OK 32 85 - 38 - 1870/2.9=2, 1880/2.9=1...(13) HE2 LYS 32 - HB2 LYS 73 OK 32 74 - 44 - 6146/2.9=2, 3.0/3010=2...(18) HE3 LYS 73 - HB2 LYS 39 OK 32 84 - 38 - 1870/2.9=1, 1880/2.9=1...(13) HE3 LYS 13 - HB2 LYS 73 OK 28 75 - 37 - 2.9/3118=2, 2.9/3128=2...(8) HE2 LYS 13 - HB2 LYS 73 OK 28 74 - 37 - 2.9/3128=2, 2.9/3128=2...(8) HE3 LYS 32 - HB2 LYS 39 OK 27 85 - 32 - 1870/2.9=1, 1880/2.9=1...(7) HE2 LYS 32 - HB2 LYS 39 OK 27 85 - 32 - 1870/2.9=1, 1880/2.9=1...(7) HE3 LYS 32 - HB2 LYS 75 OK 21 99 - 21 - 3075/3.0=1 HE2 LYS 32 - HB2 LYS 75 OK 21 99 - 21 - 3075/3.0=1 HB3 TYR 55 - HB2 LYS 39 OK 16 64 - 26 - 2.5/4666=7, ~4634=5...(9) HE2 LYS 39 - HB2 LYS 73 OK 15 62 - 24 - HE3 LYS 39 - HB2 LYS 73 OK 14 59 - 24 - HB3 TYR 81 - HB2 LYS 73 poor 8 59 - 13 - ~4683=2, ~4675=2...(5) HB3 TYR 81 - HB2 LYS 39 lone 6 68 - 9 - ~4684=3, ~4683=2 HB3 TYR 55 - HB2 LYS 75 lone 5 81 - 6 - 2.5/4666=2, 5716/5940=1 HB3 TYR 81 - HB2 LYS 75 lone 5 85 - 5 - ~4685=1, ~4683=1 HB3 TYR 55 - HB2 LYS 73 lone 2 55 - 4 - Peak 3086 from cnoeabs.peaks (8.09, 1.79, 32.59 ppm; 4.14 A): 2 out of 18 assignments used, quality = 1.00: * H LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 4.0=100 H LYS 85 + HB2 LYS 85 OK 82 82 - 100 - 4.0=100 H LYS 75 - HB3 LYS 73 OK 40 93 - 44 - 4.6/325=6, 803/1.8=5...(18) H LYS 75 - HB3 LYS 39 OK 38 93 - 41 - 803/1.8=6, 3.0/3069=5...(16) H LYS 75 - HB2 LYS 85 OK 29 92 - 32 - 3443/1.8=5, 5849/2.9=4...(13) H LYS 85 - HB2 LYS 83 OK 27 92 - 30 - 3443/1.8=5, 4.6/368=4...(13) H LYS 85 - HB3 LYS 75 OK 26 93 - 28 - 3066/3.0=6, 379=2...(10) H LYS 85 - HB3 LYS 73 OK 25 82 - 31 - 377/3.0=4, 853/2.9=2...(14) H LYS 75 - HB2 LYS 13 OK 24 91 - 26 - 5849/3.0=4, 3.0/3069=4...(10) H ARG 71 - HB3 LYS 73 OK 19 81 - 24 - 942/4.0=5, 3.6/5984=3...(10) H ARG 71 - HB3 LYS 75 OK 19 92 - 20 - 3.6/5984=3, 3066/3.0=3...(7) H LYS 75 - HB2 LYS 83 OK 16 99 - 15 - 3443/1.8=2, 3.0/3069=2...(5) H LYS 85 - HB2 LYS 13 OK 11 81 - 14 - 853/3.0=2, 2.9/3425=2...(6) H LYS 85 - HB3 LYS 39 poor 10 83 - 11 - 4.7/386=1 H ARG 71 - HB2 LYS 85 poor 9 80 - 11 - 3.6/5984=2, 3443/1.8=2 H ARG 71 - HB3 LYS 39 lone 7 82 - 8 - H ARG 71 - HB2 LYS 13 lone 5 79 - 7 - 5837/4.8=1 H ARG 71 - HB2 LYS 83 lone 5 90 - 6 - Peak 3087 from cnoeabs.peaks (4.24, 1.79, 32.59 ppm; 3.23 A): 5 out of 66 assignments used, quality = 1.00: * HA LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 3.0=100 HA LYS 83 + HB2 LYS 83 OK 99 99 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 39 OK 91 91 - 100 - 3.0=100 HA LYS 85 + HB2 LYS 85 OK 80 80 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 75 OK 48 99 - 49 - 1835=7, 1834/1.8=7...(19) HA LYS 75 - HB3 LYS 39 OK 42 93 - 46 - 3069=7, 3068/1.8=7...(21) HA LYS 75 - HB3 LYS 73 OK 34 93 - 37 - 3069=5, 3068/1.8=4...(10) HA LYS 75 - HB2 LYS 85 OK 28 92 - 30 - 3069=4, 3066/4.0=3...(10) HA LYS 75 - HB2 LYS 13 OK 28 91 - 31 - 3069=5, 3073/1.8=3...(11) HA LYS 83 - HB2 LYS 85 OK 27 92 - 30 - 3280/1.8=3, ~3297=3...(12) HA LEU 64 - HB3 LYS 39 OK 24 80 - 30 - 2616/2.9=4, 1873/2.9=3...(17) HA LYS 85 - HB3 LYS 73 OK 23 81 - 29 - 3279=2, 3425/1.8=2...(6) HA LYS 85 - HB3 LYS 75 OK 22 92 - 25 - 3425=2, 3423/4.0=2...(7) HA LYS 85 - HB2 LYS 83 OK 22 90 - 25 - 3444/1.8=2, 831/4.0=2...(10) HA LYS 39 - HB2 LYS 13 OK 18 89 - 20 - 1835=3, 1837/3.0=2, 8/3.9=1 HA LYS 39 - HB3 LYS 73 OK 16 91 - 18 - 1835=3, 1837/2.9=2, 3.0/594=1 HA LYS 85 - HB2 LYS 13 OK 15 79 - 19 - 3425=2, 3428/3.0=1...(5) HA ALA 12 - HB2 LYS 13 OK 14 81 - 17 - 3704/3.9=15 HA LYS 75 - HB2 LYS 83 OK 13 99 - 13 - 3069=2, 3298/1.8=1, 831/4.0=1 HA LYS 83 - HB3 LYS 73 OK 12 92 - 13 - 2.9/3287=2, 3279=1 HA LYS 83 - HB3 LYS 75 OK 12 100 - 12 - 3279=1, 2.9/3287=1 HA ALA 77 - HB3 LYS 75 lone 9 97 - 10 - 339/4.6=3, ~817=1 HA LYS 39 - HB2 LYS 85 lone 9 90 - 10 - 1835=1 HA LYS 83 - HB3 LYS 39 lone 8 93 - 9 - 3279=1 HA LYS 85 - HB3 LYS 39 poor 8 82 - 10 - HA LYS 39 - HB2 LYS 83 lone 7 98 - 7 - 1835=1 HA LYS 83 - HB2 LYS 13 lone 6 91 - 7 - HA GLU 19 - HB2 LYS 83 lone 6 93 - 6 - HB THR 37 - HB3 LYS 39 lone 6 70 - 9 - 128/4.4=2, 592/4.0=1...(4) HA THR 15 - HB2 LYS 83 lone 6 99 - 6 - 1128/4.3=1 HA LEU 64 - HB3 LYS 75 lone 6 90 - 6 - 339/4.6=1 HA ALA 77 - HB3 LYS 73 lone 5 86 - 6 - 3988/4.3=2 HA ALA 77 - HB2 LYS 85 lone 4 86 - 5 - HA LEU 64 - HB2 LYS 13 lone 4 78 - 5 - HA ALA 77 - HB2 LYS 83 lone 4 95 - 4 - HA LEU 64 - HB2 LYS 83 lone 4 89 - 4 - HA ALA 12 - HB2 LYS 85 lone 3 82 - 4 - 3.6/468=2 HA ALA 12 - HB3 LYS 75 lone 3 93 - 3 - 3.6/468=1 HA THR 15 - HB2 LYS 85 lone 3 92 - 3 - HA ALA 20 - HB3 LYS 75 lone 3 89 - 3 - HA LEU 64 - HB3 LYS 73 lone 3 79 - 3 - HA ALA 12 - HB3 LYS 39 lone 3 83 - 3 - 3.6/468=1 HA GLU 19 - HB3 LYS 39 lone 2 85 - 3 - HA ALA 20 - HB3 LYS 39 lone 2 78 - 3 - HA GLU 19 - HB2 LYS 85 lone 2 83 - 3 - HA ALA 77 - HB3 LYS 39 lone 2 87 - 3 - HB THR 37 - HB3 LYS 75 lone 2 81 - 3 - HA THR 15 - HB3 LYS 73 lone 2 92 - 2 - HA THR 15 - HB3 LYS 39 lone 2 93 - 2 - HA ALA 20 - HB2 LYS 83 lone 2 87 - 2 - HA THR 15 - HB3 LYS 75 lone 2 100 - 2 - HA GLU 19 - HB3 LYS 75 lone 2 95 - 2 - HA ALA 12 - HB2 LYS 83 lone 2 92 - 2 - HA LEU 64 - HB2 LYS 85 lone 2 78 - 2 - HA ALA 12 - HB3 LYS 73 lone 1 82 - 2 - HB THR 37 - HB2 LYS 83 lone 1 79 - 2 - HB THR 37 - HB3 LYS 73 lone 1 69 - 2 - HB THR 37 - HB2 LYS 85 lone 1 69 - 2 - HA ALA 20 - HB2 LYS 85 lone 1 77 - 1 - HA GLU 19 - HB3 LYS 73 lone 1 84 - 1 - HA ALA 20 - HB3 LYS 73 lone 1 77 - 1 - HA ALA 77 - HB2 LYS 13 lone 1 85 - 1 - HB THR 37 - HB2 LYS 13 lone 1 68 - 1 - HA THR 15 - HB2 LYS 13 lone 1 91 - 1 - HA GLU 19 - HB2 LYS 13 lone 1 82 - 1 - HA ALA 20 - HB2 LYS 13 lone 1 76 - 1 - Peak 3088 from cnoeabs.peaks (1.84, 1.79, 32.59 ppm; 2.40 A): 3 out of 66 assignments used, quality = 1.00: * HB2 LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 1.8=100 HB2 LYS 39 + HB3 LYS 39 OK 86 86 - 100 - 1.8=100 HB2 LYS 73 + HB3 LYS 73 OK 72 72 - 100 - 1.8=100 HB2 LYS 39 - HB3 LYS 75 OK 26 96 - 28 - 3068/3.0=3, 3.0/1835=2...(11) HB2 LYS 75 - HB3 LYS 39 OK 25 93 - 27 - 1834/3.0=2, 1864/2.9=2...(6) HB2 LYS 75 - HB3 LYS 73 OK 16 93 - 17 - 3.0/3069=1 HB ILE 89 - HB3 LYS 73 OK 15 74 - 21 - 3605/3.0=2, ~3613=2...(8) HB2 LYS 75 - HB2 LYS 13 OK 14 91 - 16 - 3.0/3069=1, ~1011=1 HB2 LYS 73 - HB3 LYS 75 OK 14 83 - 17 - 3068/3.0=2 HB2 LYS 75 - HB2 LYS 85 OK 13 92 - 14 - 3.0/3069=1 HB2 LYS 73 - HB2 LYS 85 poor 10 71 - 14 - HB2 LYS 39 - HB2 LYS 13 poor 9 84 - 11 - HB2 ARG 23 - HB3 LYS 39 lone 8 92 - 8 - HB3 ARG 23 - HB3 LYS 39 lone 8 92 - 8 - HB2 LYS 39 - HB3 LYS 73 lone 7 85 - 8 - HB2 LYS 73 - HB2 LYS 13 poor 7 70 - 10 - HB ILE 89 - HB2 LYS 13 lone 6 72 - 9 - HB2 LYS 75 - HB2 LYS 83 lone 6 99 - 6 - HB ILE 89 - HB2 LYS 85 lone 5 73 - 7 - HB2 LYS 73 - HB3 LYS 39 lone 5 72 - 7 - HB ILE 89 - HB3 LYS 75 lone 5 85 - 5 - HB2 LYS 39 - HB2 LYS 85 lone 4 84 - 5 - HB2 ARG 71 - HB3 LYS 75 lone 4 97 - 4 - HB3 ARG 71 - HB3 LYS 75 lone 4 97 - 4 - HB2 LYS 73 - HB2 LYS 83 lone 4 81 - 5 - HB2 ARG 23 - HB3 LYS 75 lone 3 100 - 3 - HB3 ARG 23 - HB3 LYS 75 lone 3 100 - 3 - HB2 LYS 39 - HB2 LYS 83 lone 3 94 - 4 - HB2 ARG 71 - HB3 LYS 73 lone 3 87 - 4 - HB3 ARG 71 - HB3 LYS 73 lone 3 86 - 4 - HB2 ARG 71 - HB3 LYS 39 lone 3 88 - 3 - HB3 ARG 71 - HB3 LYS 39 lone 3 87 - 3 - HB2 ARG 17 - HB3 LYS 73 lone 2 92 - 2 - HB2 ARG 27 - HB3 LYS 39 lone 2 88 - 2 - HB3 ARG 27 - HB3 LYS 39 lone 2 87 - 2 - HB2 ARG 17 - HB3 LYS 39 lone 2 93 - 2 - HB2 ARG 27 - HB3 LYS 75 lone 2 97 - 2 - HB3 ARG 27 - HB3 LYS 75 lone 2 97 - 2 - HB ILE 89 - HB3 LYS 39 lone 2 74 - 2 - HB ILE 89 - HB2 LYS 83 lone 1 83 - 2 - HB2 ARG 17 - HB3 LYS 75 lone 1 100 - 1 - HB2 ARG 17 - HB2 LYS 85 lone 1 91 - 1 - HB2 ARG 23 - HB2 LYS 13 lone 1 90 - 1 - HB3 ARG 23 - HB2 LYS 13 lone 1 90 - 1 - HB2 ARG 23 - HB3 LYS 73 lone 1 92 - 1 - HB3 ARG 23 - HB3 LYS 73 lone 1 91 - 1 - HB2 ARG 71 - HB2 LYS 85 lone 1 87 - 1 - HB3 ARG 71 - HB2 LYS 85 lone 1 86 - 1 - HB2 ARG 17 - HB2 LYS 83 lone 1 99 - 1 - HB2 ARG 71 - HB2 LYS 83 lone 1 96 - 1 - HB3 ARG 71 - HB2 LYS 83 lone 1 95 - 1 - HB2 ARG 27 - HB3 LYS 73 lone 1 87 - 1 - HB3 ARG 27 - HB3 LYS 73 lone 1 86 - 1 - HB2 ARG 71 - HB2 LYS 13 lone 1 86 - 1 - HB3 ARG 71 - HB2 LYS 13 lone 1 85 - 1 - HB2 ARG 23 - HB2 LYS 83 lone 1 99 - 1 - HB3 ARG 23 - HB2 LYS 83 lone 1 99 - 1 - HB2 ARG 27 - HB2 LYS 13 lone 1 86 - 1 - HB3 ARG 27 - HB2 LYS 13 lone 1 85 - 1 - HB2 ARG 27 - HB2 LYS 85 lone 0 87 - 1 - HB3 ARG 27 - HB2 LYS 85 lone 0 86 - 1 - HB2 ARG 27 - HB2 LYS 83 lone 0 96 - 0 - HB3 ARG 27 - HB2 LYS 83 lone 0 95 - 0 - HB2 ARG 23 - HB2 LYS 85 lone 0 91 - 0 - HB3 ARG 23 - HB2 LYS 85 lone 0 91 - 0 - HB2 ARG 17 - HB2 LYS 13 lone 0 91 - 0 - Peak 3089 from cnoeabs.peaks (1.79, 1.79, 32.59 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 75 + HB3 LYS 75 OK 100 100 - 100 HB2 LYS 83 + HB2 LYS 83 OK 98 98 - 100 HB3 LYS 39 + HB3 LYS 39 OK 92 92 - 100 HB2 LYS 13 + HB2 LYS 13 OK 91 91 - 100 HB3 LYS 73 + HB3 LYS 73 OK 87 87 - 100 HB2 LYS 85 + HB2 LYS 85 OK 80 80 - 100 Peak 3090 from cnoeabs.peaks (1.39, 1.79, 32.59 ppm; 3.07 A): 8 out of 72 assignments used, quality = 1.00: * HG2 LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 - 100 - 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 - 100 - 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 - 100 - 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 - 100 - 2.9=100 HG2 LYS 75 + HB3 LYS 39 OK 46 93 - 50 - 1867/2.9=3, 1837/3.0=3...(20) HG3 LYS 75 + HB3 LYS 39 OK 46 93 - 50 - 1867/2.9=3, 1837/3.0=3...(20) HG3 LYS 39 - HB3 LYS 75 OK 39 92 - 43 - 1874/1.8=4, ~1864=3...(12) HG2 LYS 75 - HB3 LYS 73 OK 34 93 - 37 - 3.9/3069=2, 2993/2.9=2...(11) HG3 LYS 75 - HB3 LYS 73 OK 34 93 - 37 - 3.9/3069=2, 2993/2.9=2...(11) HG2 LYS 75 - HB2 LYS 13 OK 29 91 - 32 - 3.9/3069=2, 3467/3.0=1...(10) HG3 LYS 75 - HB2 LYS 13 OK 29 91 - 32 - 3.9/3069=2, 3467/3.0=1...(10) HG3 LYS 73 - HB3 LYS 75 OK 29 100 - 30 - 3071/3.0=2, 1.8/2991=2...(6) HB3 ARG 69 - HB3 LYS 75 OK 27 100 - 27 - 2802=3, 3942/4.6=3...(11) HB3 ARG 69 - HB3 LYS 73 OK 25 91 - 28 - 2802/1.8=3, 2802=2...(10) HG2 LYS 75 - HB2 LYS 85 OK 24 92 - 26 - 3447/1.8=2, 3.9/3069=1...(4) HG3 LYS 75 - HB2 LYS 85 OK 24 92 - 26 - 3447/1.8=2, 3.9/3069=1...(4) HG3 ARG 69 - HB3 LYS 75 OK 22 95 - 23 - 3944/4.6=3, 2818=2...(7) HG2 LYS 85 - HB3 LYS 73 OK 20 85 - 24 - 2.9/3299=1, 3000/1.8=1...(8) HG3 ARG 69 - HB3 LYS 73 OK 20 84 - 24 - 2818/1.8=2, 2818=2...(9) HG3 LYS 73 - HB2 LYS 85 OK 20 92 - 22 - 3447/1.8=2, ~3448=1...(4) HG3 LYS 73 - HB3 LYS 39 OK 18 93 - 19 - 1867/2.9=1, 1837/3.0=1 HG2 LYS 85 - HB2 LYS 83 OK 18 94 - 19 - ~3448=2, 3447/1.8=1...(4) HG2 LYS 85 - HB3 LYS 75 OK 18 96 - 19 - 3070/3.0=2, 2.9/3299=1 HG2 LYS 85 - HB2 LYS 13 OK 16 84 - 19 - ~1014=2, 2.9/3299=1, ~1030=1 HB3 ARG 69 - HB2 LYS 85 OK 15 91 - 16 - 2802=2, 3.0/2818=1, 3.0/2786=1 HG3 LYS 73 - HB2 LYS 13 OK 15 91 - 16 - ~1014=1 HB3 ARG 69 - HB3 LYS 39 OK 14 92 - 15 - 2802=2, 6077/4.4=1 HG3 LYS 39 - HB3 LYS 73 OK 14 81 - 17 - 1.8/1865=1, 1875=1 HB3 ARG 69 - HB2 LYS 13 OK 14 90 - 15 - 2802=2, ~4819=1...(5) HG3 LYS 39 - HB2 LYS 13 OK 12 79 - 15 - 1.8/1865=1, 1875=1 HG3 ARG 69 - HB2 LYS 85 OK 12 83 - 14 - 2818=2, 3.0/2802=1, 1.8/2810=1 QB ALA 53 - HB3 LYS 39 OK 12 93 - 13 - 3.6/676=2, 2.9/4963=1...(5) HG2 LYS 75 - HB2 LYS 83 OK 11 99 - 11 - HG3 LYS 75 - HB2 LYS 83 OK 11 99 - 11 - HG3 ARG 69 - HB3 LYS 39 OK 10 85 - 12 - 3.0/2802=1, 2818=1 HG2 LYS 83 - HB2 LYS 85 OK 10 69 - 15 - 2.9/3445=1, 4.6/3287=1 QB ALA 53 - HB3 LYS 73 poor 9 92 - 10 - 2297/3.0=1, 2.9/4963=1 HG3 ARG 69 - HB2 LYS 13 poor 9 82 - 11 - 3.0/2802=1, 2818=1 HG3 LYS 73 - HB2 LYS 83 lone 9 99 - 9 - HG3 LYS 39 - HB2 LYS 85 lone 7 80 - 9 - QB ALA 77 - HB3 LYS 75 lone 7 93 - 7 - HG2 LYS 85 - HB3 LYS 39 lone 7 86 - 8 - QB ALA 78 - HB3 LYS 73 lone 6 92 - 6 - HB3 ARG 69 - HB2 LYS 83 lone 6 99 - 6 - HG2 LYS 83 - HB3 LYS 75 lone 6 81 - 7 - HG3 LYS 39 - HB2 LYS 83 lone 6 90 - 6 - HG2 LYS 83 - HB3 LYS 73 lone 6 69 - 8 - QB ALA 77 - HB3 LYS 73 lone 5 82 - 6 - 3989/4.3=2 HG3 ARG 69 - HB2 LYS 83 lone 5 93 - 5 - QB ALA 53 - HB3 LYS 75 lone 4 100 - 4 - QB ALA 78 - HB3 LYS 75 lone 4 100 - 4 - QB ALA 77 - HB2 LYS 85 lone 4 82 - 5 - QB ALA 77 - HB2 LYS 83 lone 4 92 - 4 - QB ALA 78 - HB2 LYS 85 lone 3 92 - 3 - HG2 LYS 83 - HB3 LYS 39 lone 3 70 - 4 - QB ALA 20 - HB3 LYS 75 lone 3 96 - 3 - HG2 LYS 83 - HB2 LYS 13 lone 3 68 - 4 - QB ALA 78 - HB2 LYS 83 lone 2 99 - 2 - QB ALA 20 - HB3 LYS 39 lone 2 86 - 3 - QB ALA 20 - HB2 LYS 83 lone 2 94 - 2 - QB ALA 53 - HB2 LYS 85 lone 2 91 - 2 - QB ALA 77 - HB3 LYS 39 lone 2 83 - 2 - QB ALA 78 - HB3 LYS 39 lone 2 93 - 2 - QB ALA 53 - HB2 LYS 83 lone 1 99 - 1 - QB ALA 53 - HB2 LYS 13 lone 1 91 - 2 - QB ALA 20 - HB2 LYS 85 lone 1 84 - 2 - QB ALA 20 - HB3 LYS 73 lone 1 85 - 2 - QB ALA 78 - HB2 LYS 13 lone 1 91 - 1 - QB ALA 77 - HB2 LYS 13 lone 1 81 - 1 - QB ALA 20 - HB2 LYS 13 lone 1 84 - 1 - Peak 3091 from cnoeabs.peaks (1.39, 1.79, 32.59 ppm; 3.07 A): 8 out of 72 assignments used, quality = 1.00: HG2 LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 2.7=100 * HG3 LYS 75 + HB3 LYS 75 OK 100 100 - 100 - 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 - 100 - 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 - 100 - 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 - 100 - 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 - 100 - 2.9=100 HG2 LYS 75 + HB3 LYS 39 OK 46 93 - 50 - 1867/2.9=3, 1837/3.0=3...(20) HG3 LYS 75 + HB3 LYS 39 OK 46 93 - 50 - 1867/2.9=3, 1837/3.0=3...(20) HG3 LYS 39 - HB3 LYS 75 OK 39 92 - 43 - 1874/1.8=4, ~1864=3...(12) HG2 LYS 75 - HB3 LYS 73 OK 34 93 - 37 - 3.9/3069=2, 2993/2.9=2...(11) HG3 LYS 75 - HB3 LYS 73 OK 34 93 - 37 - 3.9/3069=2, 2993/2.9=2...(11) HG2 LYS 75 - HB2 LYS 13 OK 29 91 - 32 - 3.9/3069=2, 3467/3.0=1...(10) HG3 LYS 75 - HB2 LYS 13 OK 29 91 - 32 - 3.9/3069=2, 3467/3.0=1...(10) HG3 LYS 73 - HB3 LYS 75 OK 29 100 - 30 - 3071/3.0=2, 1.8/2991=2...(6) HB3 ARG 69 - HB3 LYS 75 OK 27 100 - 27 - 2802=3, 3942/4.6=3...(11) HB3 ARG 69 - HB3 LYS 73 OK 25 91 - 28 - 2802/1.8=3, 2802=2...(10) HG2 LYS 75 - HB2 LYS 85 OK 24 92 - 26 - 3447/1.8=2, 3.9/3069=1...(4) HG3 LYS 75 - HB2 LYS 85 OK 24 92 - 26 - 3447/1.8=2, 3.9/3069=1...(4) HG3 ARG 69 - HB3 LYS 75 OK 22 95 - 23 - 3944/4.6=3, 2818=2...(7) HG2 LYS 85 - HB3 LYS 73 OK 20 85 - 24 - 2.9/3299=1, 3000/1.8=1...(8) HG3 ARG 69 - HB3 LYS 73 OK 20 84 - 24 - 2818/1.8=2, 2818=2...(9) HG3 LYS 73 - HB2 LYS 85 OK 20 92 - 22 - 3447/1.8=2, ~3448=1...(4) HG3 LYS 73 - HB3 LYS 39 OK 18 93 - 19 - 1867/2.9=1, 1837/3.0=1 HG2 LYS 85 - HB2 LYS 83 OK 18 94 - 19 - ~3448=2, 3447/1.8=1...(4) HG2 LYS 85 - HB3 LYS 75 OK 18 96 - 19 - 3070/3.0=2, 2.9/3299=1 HG2 LYS 85 - HB2 LYS 13 OK 16 84 - 19 - ~1014=2, 2.9/3299=1, ~1030=1 HB3 ARG 69 - HB2 LYS 85 OK 15 91 - 16 - 2802=2, 3.0/2818=1, 3.0/2786=1 HG3 LYS 73 - HB2 LYS 13 OK 15 91 - 16 - ~1014=1 HB3 ARG 69 - HB3 LYS 39 OK 14 92 - 15 - 2802=2, 6077/4.4=1 HG3 LYS 39 - HB3 LYS 73 OK 14 81 - 17 - 1.8/1865=1, 1875=1 HB3 ARG 69 - HB2 LYS 13 OK 14 90 - 15 - 2802=2, ~4819=1...(5) HG3 LYS 39 - HB2 LYS 13 OK 12 79 - 15 - 1.8/1865=1, 1875=1 HG3 ARG 69 - HB2 LYS 85 OK 12 83 - 14 - 2818=2, 3.0/2802=1, 1.8/2810=1 QB ALA 53 - HB3 LYS 39 OK 12 93 - 13 - 3.6/676=2, 2.9/4963=1...(5) HG2 LYS 75 - HB2 LYS 83 OK 11 99 - 11 - HG3 LYS 75 - HB2 LYS 83 OK 11 99 - 11 - HG3 ARG 69 - HB3 LYS 39 OK 10 85 - 12 - 3.0/2802=1, 2818=1 HG2 LYS 83 - HB2 LYS 85 OK 10 69 - 15 - 2.9/3445=1, 4.6/3287=1 QB ALA 53 - HB3 LYS 73 poor 9 92 - 10 - 2297/3.0=1, 2.9/4963=1 HG3 ARG 69 - HB2 LYS 13 poor 9 82 - 11 - 3.0/2802=1, 2818=1 HG3 LYS 73 - HB2 LYS 83 lone 9 99 - 9 - HG3 LYS 39 - HB2 LYS 85 lone 7 80 - 9 - QB ALA 77 - HB3 LYS 75 lone 7 93 - 7 - HG2 LYS 85 - HB3 LYS 39 lone 7 86 - 8 - QB ALA 78 - HB3 LYS 73 lone 6 92 - 6 - HB3 ARG 69 - HB2 LYS 83 lone 6 99 - 6 - HG2 LYS 83 - HB3 LYS 75 lone 6 81 - 7 - HG3 LYS 39 - HB2 LYS 83 lone 6 90 - 6 - HG2 LYS 83 - HB3 LYS 73 lone 6 69 - 8 - QB ALA 77 - HB3 LYS 73 lone 5 82 - 6 - 3989/4.3=2 HG3 ARG 69 - HB2 LYS 83 lone 5 93 - 5 - QB ALA 53 - HB3 LYS 75 lone 4 100 - 4 - QB ALA 78 - HB3 LYS 75 lone 4 100 - 4 - QB ALA 77 - HB2 LYS 85 lone 4 82 - 5 - QB ALA 77 - HB2 LYS 83 lone 4 92 - 4 - QB ALA 78 - HB2 LYS 85 lone 3 92 - 3 - HG2 LYS 83 - HB3 LYS 39 lone 3 70 - 4 - QB ALA 20 - HB3 LYS 75 lone 3 96 - 3 - HG2 LYS 83 - HB2 LYS 13 lone 3 68 - 4 - QB ALA 78 - HB2 LYS 83 lone 2 99 - 2 - QB ALA 20 - HB3 LYS 39 lone 2 86 - 3 - QB ALA 20 - HB2 LYS 83 lone 2 94 - 2 - QB ALA 53 - HB2 LYS 85 lone 2 91 - 2 - QB ALA 77 - HB3 LYS 39 lone 2 83 - 2 - QB ALA 78 - HB3 LYS 39 lone 2 93 - 2 - QB ALA 53 - HB2 LYS 83 lone 1 99 - 1 - QB ALA 53 - HB2 LYS 13 lone 1 91 - 2 - QB ALA 20 - HB2 LYS 85 lone 1 84 - 2 - QB ALA 20 - HB3 LYS 73 lone 1 85 - 2 - QB ALA 78 - HB2 LYS 13 lone 1 91 - 1 - QB ALA 77 - HB2 LYS 13 lone 1 81 - 1 - QB ALA 20 - HB2 LYS 13 lone 1 84 - 1 - Peak 3092 from cnoeabs.peaks (1.66, 1.79, 32.59 ppm; 2.54 A): 5 out of 48 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 76 76 - 100 - 1.8=100 * HD2 LYS 75 + HB3 LYS 75 OK 53 100 - 53 - 3.5=38, 3073/3.0=3...(8) HD3 LYS 75 + HB3 LYS 75 OK 53 100 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 13 + HB2 LYS 13 OK 51 91 - 56 - 3.5=38, 1043/3.0=4...(13) HD3 LYS 13 + HB2 LYS 13 OK 51 91 - 56 - 3.5=38, 1043/3.0=4...(13) HD2 LYS 13 - HB3 LYS 75 OK 24 100 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD3 LYS 13 - HB3 LYS 75 OK 24 100 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD2 LYS 75 - HB3 LYS 39 OK 22 93 - 24 - 3118/1.8=1, 4.7/3069=1 HD3 LYS 75 - HB3 LYS 39 OK 22 93 - 24 - 3118/1.8=1, 4.7/3069=1 HD2 LYS 75 - HB3 LYS 73 OK 18 93 - 20 - HD3 LYS 75 - HB3 LYS 73 OK 18 93 - 20 - HB3 LYS 13 - HB3 LYS 75 OK 17 89 - 20 - 1011=4, 3.0/1021=2, 3073/3.0=1 HD2 LYS 75 - HB2 LYS 13 OK 17 91 - 19 - 1025/3.0=1 HD3 LYS 75 - HB2 LYS 13 OK 17 91 - 19 - 1025/3.0=1 HD2 LYS 13 - HB3 LYS 73 OK 14 92 - 16 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 73 OK 14 92 - 16 - 2.9/1021=1 HD2 LYS 13 - HB3 LYS 39 OK 14 93 - 15 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 39 OK 14 93 - 15 - 2.9/1021=1 HB3 LYS 13 - HB2 LYS 85 OK 13 77 - 17 - 1011=3, 3.0/1021=1, 1014/2.9=1 HB3 LYS 13 - HB3 LYS 73 OK 11 77 - 14 - 1011=3, 3.0/1021=1 HD2 LYS 13 - HB2 LYS 85 OK 10 92 - 11 - 2.9/1021=1, 3.5/1011=1 HD3 LYS 13 - HB2 LYS 85 OK 10 92 - 11 - 2.9/1021=1, 3.5/1011=1 HB3 LYS 13 - HB3 LYS 39 OK 10 78 - 13 - 1011=3, 3.0/1021=1 HD3 LYS 75 - HB2 LYS 85 poor 9 92 - 10 - HD2 LYS 75 - HB2 LYS 85 poor 9 92 - 10 - HG2 ARG 23 - HB3 LYS 39 lone 7 91 - 8 - 1289/2.9=1 HG LEU 29 - HB3 LYS 73 lone 7 87 - 8 - 1498/3.0=1, 3766/4.0=1 HB3 LYS 13 - HB2 LYS 83 lone 4 87 - 4 - HD3 LYS 75 - HB2 LYS 83 lone 3 99 - 3 - HD2 LYS 75 - HB2 LYS 83 lone 3 99 - 3 - HG LEU 29 - HB3 LYS 39 lone 3 88 - 4 - HG LEU 29 - HB2 LYS 13 lone 3 86 - 4 - HG LEU 29 - HB2 LYS 85 lone 3 87 - 4 - HG LEU 29 - HB3 LYS 75 lone 3 97 - 3 - HG2 ARG 23 - HB3 LYS 75 lone 3 99 - 3 - HB3 GLN 61 - HB2 LYS 13 lone 3 90 - 3 - HD2 LYS 13 - HB2 LYS 83 lone 3 99 - 3 - HD3 LYS 13 - HB2 LYS 83 lone 3 99 - 3 - HG LEU 29 - HB2 LYS 83 lone 2 96 - 2 - HB3 GLN 61 - HB3 LYS 75 lone 2 100 - 2 - HB3 GLN 61 - HB3 LYS 73 lone 1 91 - 2 - HG2 ARG 23 - HB2 LYS 13 lone 1 89 - 1 - HG2 ARG 23 - HB3 LYS 73 lone 1 91 - 1 - HB3 GLN 61 - HB3 LYS 39 lone 1 92 - 1 - HG2 ARG 23 - HB2 LYS 83 lone 1 98 - 1 - HG2 ARG 23 - HB2 LYS 85 lone 0 90 - 1 - HB3 GLN 61 - HB2 LYS 85 lone 0 91 - 0 - HB3 GLN 61 - HB2 LYS 83 lone 0 99 - 0 - Peak 3093 from cnoeabs.peaks (1.66, 1.79, 32.59 ppm; 2.54 A): 5 out of 48 assignments used, quality = 0.99: HB3 LYS 13 + HB2 LYS 13 OK 76 76 - 100 - 1.8=100 HD2 LYS 75 + HB3 LYS 75 OK 53 100 - 53 - 3.5=38, 3073/3.0=3...(8) * HD3 LYS 75 + HB3 LYS 75 OK 53 100 - 53 - 3.5=38, 3073/3.0=3...(8) HD2 LYS 13 + HB2 LYS 13 OK 51 91 - 56 - 3.5=38, 1043/3.0=4...(13) HD3 LYS 13 + HB2 LYS 13 OK 51 91 - 56 - 3.5=38, 1043/3.0=4...(13) HD2 LYS 13 - HB3 LYS 75 OK 24 100 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD3 LYS 13 - HB3 LYS 75 OK 24 100 - 25 - 2.9/1021=2, 3073/3.0=2...(4) HD2 LYS 75 - HB3 LYS 39 OK 22 93 - 24 - 3118/1.8=1, 4.7/3069=1 HD3 LYS 75 - HB3 LYS 39 OK 22 93 - 24 - 3118/1.8=1, 4.7/3069=1 HD2 LYS 75 - HB3 LYS 73 OK 18 93 - 20 - HD3 LYS 75 - HB3 LYS 73 OK 18 93 - 20 - HB3 LYS 13 - HB3 LYS 75 OK 17 89 - 20 - 1011=4, 3.0/1021=2, 3073/3.0=1 HD2 LYS 75 - HB2 LYS 13 OK 17 91 - 19 - 1025/3.0=1 HD3 LYS 75 - HB2 LYS 13 OK 17 91 - 19 - 1025/3.0=1 HD2 LYS 13 - HB3 LYS 73 OK 14 92 - 16 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 73 OK 14 92 - 16 - 2.9/1021=1 HD2 LYS 13 - HB3 LYS 39 OK 14 93 - 15 - 2.9/1021=1 HD3 LYS 13 - HB3 LYS 39 OK 14 93 - 15 - 2.9/1021=1 HB3 LYS 13 - HB2 LYS 85 OK 13 77 - 17 - 1011=3, 3.0/1021=1, 1014/2.9=1 HB3 LYS 13 - HB3 LYS 73 OK 11 77 - 14 - 1011=3, 3.0/1021=1 HD2 LYS 13 - HB2 LYS 85 OK 10 92 - 11 - 2.9/1021=1, 3.5/1011=1 HD3 LYS 13 - HB2 LYS 85 OK 10 92 - 11 - 2.9/1021=1, 3.5/1011=1 HB3 LYS 13 - HB3 LYS 39 OK 10 78 - 13 - 1011=3, 3.0/1021=1 HD3 LYS 75 - HB2 LYS 85 poor 9 92 - 10 - HD2 LYS 75 - HB2 LYS 85 poor 9 92 - 10 - HG2 ARG 23 - HB3 LYS 39 lone 7 91 - 8 - 1289/2.9=1 HG LEU 29 - HB3 LYS 73 lone 7 87 - 8 - 1498/3.0=1, 3766/4.0=1 HB3 LYS 13 - HB2 LYS 83 lone 4 87 - 4 - HD3 LYS 75 - HB2 LYS 83 lone 3 99 - 3 - HD2 LYS 75 - HB2 LYS 83 lone 3 99 - 3 - HG LEU 29 - HB3 LYS 39 lone 3 88 - 4 - HG LEU 29 - HB2 LYS 13 lone 3 86 - 4 - HG LEU 29 - HB2 LYS 85 lone 3 87 - 4 - HG LEU 29 - HB3 LYS 75 lone 3 97 - 3 - HG2 ARG 23 - HB3 LYS 75 lone 3 99 - 3 - HB3 GLN 61 - HB2 LYS 13 lone 3 90 - 3 - HD2 LYS 13 - HB2 LYS 83 lone 3 99 - 3 - HD3 LYS 13 - HB2 LYS 83 lone 3 99 - 3 - HG LEU 29 - HB2 LYS 83 lone 2 96 - 2 - HB3 GLN 61 - HB3 LYS 75 lone 2 100 - 2 - HB3 GLN 61 - HB3 LYS 73 lone 1 91 - 2 - HG2 ARG 23 - HB2 LYS 13 lone 1 89 - 1 - HG2 ARG 23 - HB3 LYS 73 lone 1 91 - 1 - HB3 GLN 61 - HB3 LYS 39 lone 1 92 - 1 - HG2 ARG 23 - HB2 LYS 83 lone 1 98 - 1 - HG2 ARG 23 - HB2 LYS 85 lone 0 90 - 1 - HB3 GLN 61 - HB2 LYS 85 lone 0 91 - 0 - HB3 GLN 61 - HB2 LYS 83 lone 0 99 - 0 - Peak 3094 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.30 A): 14 out of 72 assignments used, quality = 1.00: HE3 LYS 75 + HB3 LYS 75 OK 85 100 - 85 - 5.0=65, ~3073=4, ~3072=4...(35) * HE2 LYS 75 + HB3 LYS 75 OK 85 100 - 85 - 5.0=65, ~3073=4, ~3072=4...(35) HE2 LYS 73 + HB3 LYS 73 OK 79 89 - 89 - 4.7=78, 3042/2.9=4...(29) HE3 LYS 73 + HB3 LYS 73 OK 78 88 - 89 - 4.7=78, 3042/2.9=4...(29) HE2 LYS 39 + HB3 LYS 39 OK 74 80 - 92 - 4.7=78, ~1869=5, ~1879=5...(38) HE3 LYS 13 + HB2 LYS 13 OK 72 90 - 80 - 5.2=56, 1073/3.0=4...(35) HE2 LYS 13 + HB2 LYS 13 OK 72 89 - 80 - 5.2=56, 1073/3.0=4...(35) HE3 LYS 39 + HB3 LYS 39 OK 70 76 - 92 - 4.7=78, ~1869=5, ~1879=5...(38) HE3 LYS 75 + HB3 LYS 39 OK 53 93 - 58 - 1870/2.9=3, 1880/2.9=3...(39) HE2 LYS 75 + HB3 LYS 39 OK 53 93 - 58 - 1870/2.9=3, 1880/2.9=3...(39) HE3 LYS 13 + HB3 LYS 75 OK 46 100 - 46 - 3.8/1021=4, ~3073=2...(24) HE2 LYS 13 + HB3 LYS 75 OK 46 99 - 46 - 3.8/1021=4, ~3073=2...(24) HE2 LYS 75 + HB3 LYS 73 OK 45 93 - 49 - 6146/2.9=2, 3030/1.8=2...(25) HE3 LYS 75 + HB3 LYS 73 OK 45 92 - 49 - 6146/2.9=2, 3030/1.8=2...(25) HE2 LYS 75 - HB2 LYS 13 OK 43 91 - 47 - 1028/3.0=4, ~1028=3...(20) HE3 LYS 75 - HB2 LYS 13 OK 43 91 - 47 - 1028/3.0=4, ~1028=3...(22) HE2 LYS 39 - HB3 LYS 75 OK 39 90 - 43 - 3.6/1865=4, 3.6/1875=4...(20) HE3 LYS 39 - HB3 LYS 75 OK 37 87 - 43 - 3.6/1865=4, 3.6/1875=4...(20) HE3 LYS 13 - HB3 LYS 39 OK 34 92 - 37 - 3.8/1021=3, 1870/2.9=2...(17) HE2 LYS 73 - HB3 LYS 75 OK 34 99 - 35 - 3075/3.0=2, 3.7/2991=2...(9) HE3 LYS 73 - HB3 LYS 75 OK 34 98 - 35 - 3.7/2991=2, 3075/3.0=2...(9) HE2 LYS 13 - HB3 LYS 39 OK 34 91 - 37 - 3.8/1021=3, 1870/2.9=2...(17) HE3 LYS 32 - HB3 LYS 73 OK 34 90 - 38 - 3.9/1587=2, 3.9/1596=2...(16) HE2 LYS 32 - HB3 LYS 73 OK 33 89 - 38 - 3.9/1587=2, 3.9/1596=2...(16) HE3 LYS 13 - HB3 LYS 73 OK 30 91 - 33 - 3.8/1021=3, 5.2/1011=1...(7) HE2 LYS 13 - HB3 LYS 73 OK 30 91 - 33 - 3.8/1021=3, 5.2/1011=1...(7) HE2 LYS 73 - HB3 LYS 39 OK 29 90 - 33 - 1870/2.9=1, 1880/2.9=1...(8) HE3 LYS 73 - HB3 LYS 39 OK 29 89 - 33 - 1870/2.9=1, 1880/2.9=1...(8) HE2 LYS 75 - HB2 LYS 85 OK 27 92 - 29 - ~3447=2, 6146/2.9=1, 6.4/3069=1 HE3 LYS 75 - HB2 LYS 85 OK 27 92 - 29 - ~3447=2, 6146/2.9=1, 6.4/3069=1 HE3 LYS 32 - HB3 LYS 39 OK 24 91 - 27 - 1870/2.9=1, 1880/2.9=1 HE2 LYS 32 - HB3 LYS 39 OK 24 90 - 27 - 1870/2.9=1, 1880/2.9=1, ~1870=1 HE3 LYS 13 - HB2 LYS 85 OK 21 91 - 23 - 3.8/1021=3, 5.2/1011=2 HE2 LYS 13 - HB2 LYS 85 OK 21 90 - 23 - 3.8/1021=3, 5.2/1011=2 HE3 LYS 32 - HB3 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HB3 LYS 75 OK 19 99 - 19 - HE2 LYS 39 - HB3 LYS 73 OK 19 79 - 24 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 39 - HB3 LYS 73 OK 18 76 - 24 - 3.6/1865=2, 3.6/1875=2 HE2 LYS 73 - HB2 LYS 85 OK 17 89 - 19 - 6146/2.9=1 HE3 LYS 73 - HB2 LYS 85 OK 17 88 - 20 - 6146/2.9=1 HE2 LYS 73 - HB2 LYS 13 OK 15 88 - 17 - 1028/3.0=1 HE3 LYS 73 - HB2 LYS 13 OK 15 87 - 17 - 1028/3.0=1 HE2 LYS 39 - HB2 LYS 13 OK 14 78 - 18 - 3.6/1875=2, 3.6/1865=2...(5) HE3 LYS 39 - HB2 LYS 13 OK 14 74 - 19 - 3.6/1875=2, 3.6/1865=2...(5) HB3 TYR 55 - HB3 LYS 39 OK 12 68 - 18 - ~4666=5, ~4634=4...(5) HB3 TYR 81 - HB3 LYS 73 OK 10 76 - 13 - 2.5/4683=2, ~4675=2...(7) HE2 LYS 75 - HB2 LYS 83 lone 10 99 - 10 - HE3 LYS 75 - HB2 LYS 83 lone 10 99 - 10 - HE3 LYS 32 - HB2 LYS 13 lone 9 89 - 10 - HE2 LYS 32 - HB2 LYS 13 lone 9 88 - 10 - HB3 TYR 81 - HB3 LYS 39 lone 7 76 - 9 - ~4684=3, 2.5/4683=2 HE2 LYS 39 - HB2 LYS 85 lone 7 78 - 8 - HE3 LYS 39 - HB2 LYS 85 lone 6 75 - 8 - HE3 LYS 32 - HB2 LYS 85 lone 6 89 - 6 - HE2 LYS 32 - HB2 LYS 85 lone 6 89 - 6 - HE2 LYS 73 - HB2 LYS 83 lone 6 97 - 6 - HE3 LYS 13 - HB2 LYS 83 lone 6 99 - 5 - HE3 LYS 73 - HB2 LYS 83 lone 6 97 - 6 - HE2 LYS 13 - HB2 LYS 83 lone 6 98 - 5 - HE2 LYS 39 - HB2 LYS 83 lone 5 89 - 6 - HE3 LYS 39 - HB2 LYS 83 lone 5 85 - 6 - HB3 TYR 55 - HB2 LYS 13 lone 4 66 - 7 - 5227/4.8=4 HB3 TYR 81 - HB3 LYS 75 lone 4 87 - 5 - ~4685=1 HB3 TYR 55 - HB3 LYS 75 lone 4 78 - 5 - ~4666=1 HB3 TYR 81 - HB2 LYS 83 lone 4 85 - 5 - 4.1/5476=1, 3.0/6059=1 HB3 TYR 55 - HB3 LYS 73 lone 3 67 - 5 - HE3 LYS 32 - HB2 LYS 83 lone 3 98 - 3 - HE2 LYS 32 - HB2 LYS 83 lone 3 97 - 3 - HB3 TYR 81 - HB2 LYS 85 lone 2 75 - 3 - HB3 TYR 81 - HB2 LYS 13 lone 2 74 - 2 - HB3 TYR 55 - HB2 LYS 83 lone 1 76 - 2 - HB3 TYR 55 - HB2 LYS 85 lone 1 66 - 1 - Peak 3095 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.30 A): 14 out of 72 assignments used, quality = 1.00: * HE3 LYS 75 + HB3 LYS 75 OK 85 100 - 85 - 5.0=65, ~3073=4, ~3072=4...(35) HE2 LYS 75 + HB3 LYS 75 OK 85 100 - 85 - 5.0=65, ~3073=4, ~3072=4...(35) HE2 LYS 73 + HB3 LYS 73 OK 80 90 - 89 - 4.7=78, 3042/2.9=4...(29) HE3 LYS 73 + HB3 LYS 73 OK 79 89 - 89 - 4.7=78, 3042/2.9=4...(29) HE2 LYS 39 + HB3 LYS 39 OK 72 78 - 92 - 4.7=78, ~1869=5, ~1879=5...(38) HE3 LYS 13 + HB2 LYS 13 OK 72 89 - 80 - 5.2=56, 1073/3.0=4...(35) HE2 LYS 13 + HB2 LYS 13 OK 71 89 - 80 - 5.2=56, 1073/3.0=4...(35) HE3 LYS 39 + HB3 LYS 39 OK 68 74 - 92 - 4.7=78, ~1869=5, ~1879=5...(38) HE3 LYS 75 + HB3 LYS 39 OK 53 93 - 58 - 1870/2.9=3, 1880/2.9=3...(39) HE2 LYS 75 + HB3 LYS 39 OK 53 93 - 58 - 1870/2.9=3, 1880/2.9=3...(39) HE3 LYS 13 + HB3 LYS 75 OK 46 99 - 46 - 3.8/1021=4, ~3073=2...(24) HE2 LYS 13 + HB3 LYS 75 OK 46 99 - 46 - 3.8/1021=4, ~3073=2...(24) HE3 LYS 75 + HB3 LYS 73 OK 45 93 - 49 - 6146/2.9=2, 3040/1.8=2...(25) HE2 LYS 75 + HB3 LYS 73 OK 45 92 - 49 - 6146/2.9=2, 3030/1.8=2...(25) HE3 LYS 75 - HB2 LYS 13 OK 43 91 - 47 - 1028/3.0=4, ~1028=3...(22) HE2 LYS 75 - HB2 LYS 13 OK 43 91 - 47 - 1028/3.0=4, ~1028=3...(20) HE2 LYS 39 - HB3 LYS 75 OK 38 89 - 43 - 3.6/1865=4, 3.6/1875=4...(20) HE3 LYS 39 - HB3 LYS 75 OK 36 85 - 43 - 3.6/1865=4, 3.6/1875=4...(20) HE2 LYS 73 - HB3 LYS 75 OK 35 99 - 35 - 3075/3.0=2, 3.7/2991=2...(9) HE3 LYS 73 - HB3 LYS 75 OK 34 99 - 35 - 3.7/2991=2, 3075/3.0=2...(9) HE3 LYS 13 - HB3 LYS 39 OK 34 91 - 37 - 3.8/1021=3, 1870/2.9=2...(17) HE2 LYS 13 - HB3 LYS 39 OK 34 91 - 37 - 3.8/1021=3, 1870/2.9=2...(17) HE3 LYS 32 - HB3 LYS 73 OK 34 91 - 38 - 3.9/1587=2, 3.9/1596=2...(16) HE2 LYS 32 - HB3 LYS 73 OK 34 90 - 38 - 3.9/1587=2, 3.9/1596=2...(16) HE3 LYS 13 - HB3 LYS 73 OK 30 91 - 33 - 3.8/1021=3, 5.2/1011=1...(7) HE2 LYS 13 - HB3 LYS 73 OK 30 90 - 33 - 3.8/1021=3, 5.2/1011=1...(7) HE2 LYS 73 - HB3 LYS 39 OK 30 91 - 33 - 1870/2.9=1, 1880/2.9=1...(8) HE3 LYS 73 - HB3 LYS 39 OK 29 90 - 33 - 1870/2.9=1, 1880/2.9=1...(8) HE3 LYS 75 - HB2 LYS 85 OK 27 92 - 29 - ~3447=2, 6146/2.9=1, 6.4/3069=1 HE2 LYS 75 - HB2 LYS 85 OK 27 92 - 29 - ~3447=2, 6146/2.9=1, 6.4/3069=1 HE3 LYS 32 - HB3 LYS 39 OK 25 91 - 27 - 1870/2.9=1, 1880/2.9=1 HE2 LYS 32 - HB3 LYS 39 OK 24 91 - 27 - 1870/2.9=1, 1880/2.9=1, ~1870=1 HE3 LYS 13 - HB2 LYS 85 OK 21 90 - 23 - 3.8/1021=3, 5.2/1011=2 HE2 LYS 13 - HB2 LYS 85 OK 21 89 - 23 - 3.8/1021=3, 5.2/1011=2 HE3 LYS 32 - HB3 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HB3 LYS 75 OK 19 99 - 19 - HE2 LYS 39 - HB3 LYS 73 OK 18 77 - 24 - 3.6/1865=2, 3.6/1875=2 HE3 LYS 39 - HB3 LYS 73 OK 17 74 - 23 - 3.6/1865=2, 3.6/1875=2 HE2 LYS 73 - HB2 LYS 85 OK 17 89 - 19 - 6146/2.9=1 HE3 LYS 73 - HB2 LYS 85 OK 17 89 - 20 - 6146/2.9=1 HE2 LYS 73 - HB2 LYS 13 OK 15 89 - 17 - 1028/3.0=1 HE3 LYS 73 - HB2 LYS 13 OK 15 88 - 17 - 1028/3.0=1 HE2 LYS 39 - HB2 LYS 13 OK 14 76 - 18 - 3.6/1875=2, 3.6/1865=2...(5) HE3 LYS 39 - HB2 LYS 13 OK 13 72 - 18 - 3.6/1875=2, 3.6/1865=2...(5) HB3 TYR 55 - HB3 LYS 39 OK 13 70 - 18 - ~4666=5, ~4634=4...(5) HB3 TYR 81 - HB3 LYS 73 poor 10 74 - 13 - 2.5/4683=2, ~4675=2...(7) HE3 LYS 75 - HB2 LYS 83 lone 10 99 - 10 - HE2 LYS 75 - HB2 LYS 83 lone 10 99 - 10 - HE3 LYS 32 - HB2 LYS 13 lone 9 89 - 10 - HE2 LYS 32 - HB2 LYS 13 lone 9 89 - 10 - HE2 LYS 39 - HB2 LYS 85 lone 7 77 - 8 - HB3 TYR 81 - HB3 LYS 39 lone 6 74 - 9 - ~4684=3, 2.5/4683=2 HE3 LYS 39 - HB2 LYS 85 lone 6 73 - 8 - HE3 LYS 32 - HB2 LYS 85 lone 6 90 - 6 - HE2 LYS 32 - HB2 LYS 85 lone 6 89 - 6 - HE2 LYS 73 - HB2 LYS 83 lone 6 98 - 6 - HE3 LYS 73 - HB2 LYS 83 lone 6 97 - 6 - HE3 LYS 13 - HB2 LYS 83 lone 6 98 - 5 - HE2 LYS 13 - HB2 LYS 83 lone 6 98 - 5 - HE2 LYS 39 - HB2 LYS 83 lone 5 87 - 6 - HE3 LYS 39 - HB2 LYS 83 lone 5 83 - 6 - HB3 TYR 55 - HB2 LYS 13 lone 5 68 - 7 - 5227/4.8=4 HB3 TYR 81 - HB3 LYS 75 lone 4 85 - 5 - ~4685=1 HB3 TYR 55 - HB3 LYS 75 lone 4 81 - 5 - ~4666=1 HB3 TYR 81 - HB2 LYS 83 lone 4 83 - 5 - 4.1/5476=1, 3.0/6059=1 HB3 TYR 55 - HB3 LYS 73 lone 3 69 - 5 - HE3 LYS 32 - HB2 LYS 83 lone 3 98 - 3 - HE2 LYS 32 - HB2 LYS 83 lone 3 98 - 3 - HB3 TYR 81 - HB2 LYS 85 lone 2 73 - 3 - HB3 TYR 81 - HB2 LYS 13 lone 2 72 - 2 - HB3 TYR 55 - HB2 LYS 83 lone 1 79 - 2 - HB3 TYR 55 - HB2 LYS 85 lone 1 69 - 1 - Peak 3097 from cnoeabs.peaks (4.24, 1.39, 24.91 ppm; 4.06 A): 5 out of 44 assignments used, quality = 1.00: * HA LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.9=100 HA LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.9=100 HA LYS 39 + HG2 LYS 75 OK 70 99 - 71 - 1837=8, 1837/1.8=8...(29) HA LYS 39 + HG3 LYS 75 OK 70 99 - 71 - 1837=8, 1837/1.8=8...(29) HA LYS 85 + HG2 LYS 85 OK 49 49 - 100 - 3.8=100 HA LYS 85 - HG2 LYS 75 OK 37 92 - 41 - 3427=3, 3427/1.8=3...(16) HA LYS 85 - HG3 LYS 75 OK 37 92 - 41 - 3427=3, 3427/1.8=3...(16) HA LYS 75 - HG3 LYS 73 OK 29 61 - 48 - 3070=5, 3068/2.9=5...(21) HA LYS 75 - HG2 LYS 85 OK 22 59 - 37 - 3066/4.8=4, 3070=4...(10) HA LYS 83 - HG2 LYS 75 OK 22 100 - 22 - 2.9/5897=2, 6143=1...(8) HA LYS 83 - HG3 LYS 75 OK 22 100 - 22 - 2.9/5897=2, 6143=1...(8) HA LYS 83 - HG2 LYS 85 OK 20 59 - 35 - ~3297=3, 3280/2.9=3...(16) HA LYS 85 - HG3 LYS 73 OK 19 51 - 38 - 3427=3, 3428/1.8=3...(17) HA LYS 39 - HG3 LYS 73 OK 19 59 - 32 - 1837=3, 1835/2.9=2...(9) HA ALA 77 - HG3 LYS 75 OK 16 97 - 17 - 339/4.9=4, 3.0/818=2...(4) HA ALA 77 - HG2 LYS 75 OK 16 97 - 17 - 339/4.9=4, 3.0/818=2...(4) HA LYS 83 - HG3 LYS 73 OK 12 61 - 19 - 2.9/5897=2, ~3287=1...(6) HA LYS 39 - HG2 LYS 85 poor 7 58 - 13 - 385/4.7=1, 3298/2.9=1 HA LEU 64 - HG2 LYS 75 lone 7 90 - 7 - 339/4.9=2 HA LEU 64 - HG3 LYS 75 lone 7 90 - 7 - 339/4.9=2 HA ALA 20 - HG3 LYS 75 lone 6 89 - 6 - HA ALA 20 - HG2 LYS 75 lone 6 89 - 6 - HA ALA 77 - HG2 LYS 85 lone 4 54 - 8 - HA ALA 77 - HG3 LYS 73 lone 4 56 - 7 - 3.0/818=1 HA GLU 19 - HG2 LYS 75 lone 3 95 - 4 - HA GLU 19 - HG3 LYS 75 lone 3 95 - 4 - HB THR 37 - HG3 LYS 75 lone 3 81 - 3 - HB THR 37 - HG2 LYS 75 lone 3 81 - 3 - HA THR 15 - HG3 LYS 75 lone 3 100 - 3 - HA THR 15 - HG2 LYS 75 lone 3 100 - 3 - HA LEU 64 - HG3 LYS 73 lone 2 50 - 5 - HA THR 15 - HG2 LYS 85 lone 2 59 - 4 - HA ALA 12 - HG2 LYS 75 lone 2 93 - 2 - HA ALA 12 - HG3 LYS 75 lone 2 93 - 2 - HA THR 15 - HG3 LYS 73 lone 2 61 - 3 - HA GLU 19 - HG2 LYS 85 lone 2 52 - 4 - HA ALA 12 - HG2 LYS 85 lone 2 51 - 3 - HA ALA 20 - HG3 LYS 73 lone 1 48 - 3 - HA LEU 64 - HG2 LYS 85 lone 1 48 - 3 - HA GLU 19 - HG3 LYS 73 lone 1 53 - 2 - HA ALA 20 - HG2 LYS 85 lone 1 47 - 2 - HB THR 37 - HG3 LYS 73 lone 1 42 - 3 - HB THR 37 - HG2 LYS 85 lone 1 41 - 2 - HA ALA 12 - HG3 LYS 73 lone 1 52 - 1 - Peak 3098 from cnoeabs.peaks (1.84, 1.39, 24.91 ppm; 3.72 A): 4 out of 44 assignments used, quality = 1.00: * HB2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.7=100 HB2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.7=100 HB2 LYS 39 + HG2 LYS 75 OK 66 96 - 70 - 2.9/1867=5, 3.0/1837=5...(39) HB2 LYS 39 + HG3 LYS 75 OK 66 96 - 70 - 2.9/1867=5, 3.0/1837=5...(39) HB2 LYS 73 - HG2 LYS 75 OK 45 83 - 55 - 3068/3.9=3, 3.0/2963=2...(19) HB2 LYS 73 - HG3 LYS 75 OK 45 83 - 55 - 3068/3.9=3, 3.0/2963=2...(19) HB2 LYS 73 - HG3 LYS 73 OK 44 44 - 100 - 2.9=100 HB2 LYS 75 - HG3 LYS 73 OK 24 61 - 40 - 3.0/3071=3, 2972/1.8=3...(15) HB ILE 89 - HG3 LYS 73 OK 17 45 - 37 - 3.2/5274=5, 3605/3.8=4...(15) HB2 LYS 39 - HG3 LYS 73 OK 16 55 - 29 - 2.9/1867=2, 3.0/1837=2...(5) HB2 LYS 75 - HG2 LYS 85 OK 16 59 - 27 - 3.0/3071=2, 3076/4.8=2...(10) HB2 LYS 73 - HG2 LYS 85 OK 14 43 - 33 - 2972/1.8=2, 4.0/790=2...(11) HB ILE 89 - HG2 LYS 75 OK 13 85 - 16 - 3.2/5274=2, ~5274=1 HB ILE 89 - HG3 LYS 75 OK 13 85 - 16 - 3.2/5274=2, ~5274=1 HB2 ARG 71 - HG2 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB2 ARG 71 - HG3 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB3 ARG 71 - HG3 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB3 ARG 71 - HG2 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB ILE 89 - HG2 LYS 85 poor 10 44 - 22 - 5903/4.7=3, 3609/1.8=2...(8) HB2 ARG 23 - HG2 LYS 75 lone 9 100 - 9 - HB2 ARG 23 - HG3 LYS 75 lone 9 100 - 9 - HB3 ARG 23 - HG2 LYS 75 lone 9 100 - 9 - HB3 ARG 23 - HG3 LYS 75 lone 9 100 - 9 - HB2 ARG 71 - HG3 LYS 73 poor 7 56 - 13 - 4.4/5839=2 HB3 ARG 71 - HG3 LYS 73 poor 7 56 - 13 - 4.4/5839=2 HB2 LYS 39 - HG2 LYS 85 poor 6 53 - 11 - HB2 ARG 27 - HG3 LYS 75 lone 4 97 - 4 - HB2 ARG 27 - HG2 LYS 75 lone 4 97 - 4 - HB3 ARG 27 - HG3 LYS 75 lone 4 97 - 4 - HB3 ARG 27 - HG2 LYS 75 lone 4 97 - 4 - HB2 ARG 17 - HG3 LYS 73 lone 4 61 - 6 - HB2 ARG 17 - HG2 LYS 75 lone 3 100 - 3 - HB2 ARG 17 - HG3 LYS 75 lone 3 100 - 3 - HB2 ARG 71 - HG2 LYS 85 lone 2 55 - 4 - HB3 ARG 71 - HG2 LYS 85 lone 2 54 - 4 - HB2 ARG 23 - HG3 LYS 73 lone 2 60 - 3 - HB3 ARG 23 - HG3 LYS 73 lone 2 60 - 3 - HB2 ARG 17 - HG2 LYS 85 lone 2 59 - 3 - HB2 ARG 27 - HG3 LYS 73 lone 1 56 - 2 - HB3 ARG 27 - HG3 LYS 73 lone 1 56 - 2 - HB2 ARG 27 - HG2 LYS 85 lone 1 55 - 1 - HB3 ARG 27 - HG2 LYS 85 lone 1 54 - 1 - HB2 ARG 23 - HG2 LYS 85 lone 1 59 - 1 - HB3 ARG 23 - HG2 LYS 85 lone 1 58 - 1 - Peak 3099 from cnoeabs.peaks (1.79, 1.39, 24.91 ppm; 3.40 A): 6 out of 64 assignments used, quality = 1.00: HB3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.7=100 * HB3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.7=100 HB3 LYS 39 + HG3 LYS 75 OK 58 100 - 59 - 2.9/1867=5, 3.0/1837=4...(31) HB3 LYS 39 + HG2 LYS 75 OK 58 100 - 59 - 2.9/1867=5, 3.0/1837=4...(31) HB3 LYS 73 + HG3 LYS 73 OK 56 56 - 100 - 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 - 100 - 2.9=100 HB3 LYS 73 - HG2 LYS 75 OK 43 97 - 45 - 3069/3.9=2, 3.0/2963=2...(14) HB3 LYS 73 - HG3 LYS 75 OK 43 97 - 45 - 3069/3.9=2, 3.0/2963=2...(14) HB2 LYS 13 - HG3 LYS 75 OK 39 100 - 39 - 3069/3.9=2, 3.0/3467=2...(8) HB2 LYS 13 - HG2 LYS 75 OK 39 100 - 39 - 3069/3.9=2, 3.0/3467=2...(8) HB2 ARG 69 - HG3 LYS 75 OK 33 92 - 36 - 2795=4, 2795/1.8=3...(15) HB2 ARG 69 - HG2 LYS 75 OK 33 92 - 36 - 2795=4, 2795/1.8=3...(15) HB2 LYS 85 - HG3 LYS 75 OK 29 92 - 32 - 1.8/3447=2, 3069/3.9=2...(6) HB2 LYS 85 - HG2 LYS 75 OK 29 92 - 32 - 1.8/3447=2, 3069/3.9=2...(6) HB3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 3.0/3070=3, 2982/1.8=2...(11) HB2 LYS 32 - HG3 LYS 73 OK 16 52 - 31 - 1581/2.9=1, 1571/2.9=1...(9) HB3 LYS 32 - HG3 LYS 73 OK 16 52 - 31 - 1581/2.9=1, 1571/2.9=1...(9) HB3 LYS 73 - HG2 LYS 85 OK 15 55 - 28 - 3299/2.9=2, ~2972=1...(10) HB3 LYS 39 - HG3 LYS 73 OK 15 60 - 25 - 2.9/1867=2, 3.0/1837=2...(4) HB3 LYS 32 - HG3 LYS 75 OK 14 93 - 15 - HB2 LYS 32 - HG2 LYS 75 OK 14 93 - 15 - HB3 LYS 32 - HG2 LYS 75 OK 14 93 - 15 - HB2 LYS 32 - HG3 LYS 75 OK 14 93 - 15 - HB2 LYS 85 - HG3 LYS 73 OK 14 51 - 27 - 1.8/3447=2, ~3448=2...(7) HB2 LYS 13 - HG2 LYS 85 OK 13 59 - 23 - ~1014=2, ~1030=1...(6) HB2 LYS 83 - HG2 LYS 75 OK 13 99 - 13 - 1.8/3447=1 HB2 LYS 83 - HG3 LYS 75 OK 13 99 - 13 - 1.8/3447=1 HB2 LYS 83 - HG2 LYS 85 OK 13 58 - 23 - ~3448=2, 1.8/3447=2...(8) HB3 LYS 75 - HG2 LYS 85 OK 13 59 - 22 - 3.0/3071=2, 3299/2.9=2...(5) HB2 ARG 69 - HG3 LYS 73 OK 12 51 - 25 - 2795=3, 3.0/2787=2...(7) HB2 LYS 13 - HG3 LYS 73 OK 12 61 - 20 - ~1014=1, 2982/1.8=1, ~1011=1 HB3 ARG 84 - HG2 LYS 85 OK 10 49 - 21 - 3385/2.9=2, 379/4.8=2...(7) HB3 ARG 84 - HG3 LYS 73 poor 9 51 - 19 - 3384/3.8=1, ~2962=1...(4) HB2 ARG 69 - HG2 LYS 85 poor 8 49 - 15 - 2797=2, ~2802=1, 3.0/2789=1 HB3 ARG 84 - HG2 LYS 75 lone 7 92 - 7 - HB3 ARG 84 - HG3 LYS 75 lone 7 92 - 7 - HB2 LYS 83 - HG3 LYS 73 poor 7 59 - 11 - 4.0/5897=1 HB2 ARG 54 - HG3 LYS 75 lone 6 78 - 8 - 3.0/4967=1 HB2 ARG 54 - HG2 LYS 75 lone 6 78 - 8 - 3.0/4967=1 HB3 LYS 39 - HG2 LYS 85 lone 6 58 - 9 - HB2 LEU 57 - HG3 LYS 73 poor 5 42 - 12 - 2438/1.8=2 HB2 LEU 57 - HG3 LYS 75 lone 4 81 - 5 - HB2 LEU 57 - HG2 LYS 75 lone 4 81 - 5 - HB3 ARG 82 - HG3 LYS 73 lone 4 41 - 10 - 3.0/5446=1 HB2 ARG 54 - HG3 LYS 73 lone 4 41 - 9 - 3.0/4967=2, 4.1/209=1 HB3 ARG 82 - HG2 LYS 75 lone 4 78 - 5 - HB3 ARG 82 - HG3 LYS 75 lone 4 78 - 5 - HB2 PRO 34 - HG3 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HG2 LYS 75 lone 3 99 - 3 - HB ILE 33 - HG3 LYS 75 lone 3 85 - 3 - HB ILE 33 - HG2 LYS 75 lone 3 85 - 3 - HB2 LYS 32 - HG2 LYS 85 lone 2 51 - 4 - HB3 LYS 32 - HG2 LYS 85 lone 2 51 - 4 - HB3 ARG 82 - HG2 LYS 85 lone 2 40 - 6 - 4.4/5897=2 HB2 PRO 34 - HG3 LYS 73 lone 2 58 - 3 - HG2 PRO 34 - HG2 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HG3 LYS 75 lone 2 63 - 3 - HB ILE 33 - HG2 LYS 85 lone 1 44 - 3 - HB ILE 33 - HG3 LYS 73 lone 1 45 - 3 - HG2 PRO 34 - HG3 LYS 73 lone 1 31 - 4 - HB2 LEU 57 - HG2 LYS 85 lone 1 41 - 3 - HB2 PRO 34 - HG2 LYS 85 lone 1 56 - 2 - HB2 ARG 54 - HG2 LYS 85 lone 1 40 - 2 - HG2 PRO 34 - HG2 LYS 85 lone 0 30 - 1 - Peak 3100 from cnoeabs.peaks (1.39, 1.39, 24.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 * HG2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 61 61 - 100 HG2 LYS 85 + HG2 LYS 85 OK 53 53 - 100 Peak 3101 from cnoeabs.peaks (1.39, 1.39, 24.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 HG2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 61 61 - 100 HG2 LYS 85 + HG2 LYS 85 OK 53 53 - 100 Reference assignment not found: HG3 LYS 75 - HG2 LYS 75 Peak 3102 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 * HD2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD3 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3131=2...(10) HB3 LYS 13 - HG3 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HB3 LYS 13 - HG2 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HD2 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3130=1...(6) HD3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3121=1...(6) HD2 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD3 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD2 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HD2 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HB3 LYS 13 - HG2 LYS 85 poor 10 47 - 21 - 1014/1.8=2, 1011/2.9=2...(4) HB3 LYS 13 - HG3 LYS 73 poor 9 48 - 18 - 1011/2.9=2, 1014/1.8=2 HB3 GLN 61 - HG3 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HB3 GLN 61 - HG2 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HG LEU 29 - HG3 LYS 75 lone 7 97 - 7 - HG LEU 29 - HG2 LYS 75 lone 7 97 - 7 - HG2 ARG 23 - HG2 LYS 75 lone 5 99 - 5 - HG2 ARG 23 - HG3 LYS 75 lone 5 99 - 5 - HG LEU 29 - HG3 LYS 73 lone 5 56 - 8 - 1498/3.8=2, 3766/4.9=1 HG LEU 29 - HG2 LYS 85 lone 2 55 - 4 - HB3 GLN 61 - HG3 LYS 73 lone 1 60 - 2 - HG2 ARG 23 - HG3 LYS 73 lone 1 59 - 2 - HB3 GLN 61 - HG2 LYS 85 lone 1 58 - 1 - HG2 ARG 23 - HG2 LYS 85 lone 0 58 - 1 - Peak 3103 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 * HD3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD3 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3131=2...(10) HB3 LYS 13 - HG3 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HB3 LYS 13 - HG2 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HD2 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3130=1...(6) HD3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3121=1...(6) HD2 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD3 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD2 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HD2 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HB3 LYS 13 - HG2 LYS 85 poor 10 47 - 21 - 1014/1.8=2, 1011/2.9=2...(4) HB3 LYS 13 - HG3 LYS 73 poor 9 48 - 18 - 1011/2.9=2, 1014/1.8=2 HB3 GLN 61 - HG3 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HB3 GLN 61 - HG2 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HG LEU 29 - HG3 LYS 75 lone 7 97 - 7 - HG LEU 29 - HG2 LYS 75 lone 7 97 - 7 - HG2 ARG 23 - HG2 LYS 75 lone 5 99 - 5 - HG2 ARG 23 - HG3 LYS 75 lone 5 99 - 5 - HG LEU 29 - HG3 LYS 73 lone 5 56 - 8 - 1498/3.8=2, 3766/4.9=1 HG LEU 29 - HG2 LYS 85 lone 2 55 - 4 - HB3 GLN 61 - HG3 LYS 73 lone 1 60 - 2 - HG2 ARG 23 - HG3 LYS 73 lone 1 59 - 2 - HB3 GLN 61 - HG2 LYS 85 lone 1 58 - 1 - HG2 ARG 23 - HG2 LYS 85 lone 0 58 - 1 - Peak 3104 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 48 assignments used, quality = 1.00: * HE2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 - 100 - 3.7=100 HE3 LYS 13 - HG3 LYS 75 OK 40 100 - 40 - 2.9/3113=2, 2.9/3112=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 40 100 - 40 - 2.9/3113=2, 2.9/3113=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3103=2, 2.9/3113=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3103=2, 2.9/3113=2...(8) HE2 LYS 39 - HG3 LYS 75 OK 37 90 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 37 90 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG3 LYS 75 OK 36 87 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG2 LYS 75 OK 36 87 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 73 - HG3 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG2 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG3 LYS 75 OK 35 98 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG2 LYS 75 OK 35 98 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE2 LYS 32 - HG3 LYS 73 OK 17 58 - 30 - 3042/1.8=1, ~2995=1...(8) HE3 LYS 13 - HG3 LYS 73 OK 15 60 - 25 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE3 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE2 LYS 39 - HG3 LYS 73 poor 9 50 - 19 - 3.6/1867=2 HE2 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 39 - HG3 LYS 73 poor 9 47 - 19 - 3.6/1867=2 HE3 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HE2 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HB3 TYR 81 - HG2 LYS 75 lone 6 87 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG3 LYS 75 lone 6 87 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 55 - HG3 LYS 75 lone 5 78 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 5 78 - 6 - 3.8/5732=1 HB3 TYR 81 - HG3 LYS 73 lone 3 47 - 7 - 2.5/4685=2, 5459/3.8=1...(4) HE3 LYS 32 - HG2 LYS 85 lone 3 57 - 5 - HE2 LYS 32 - HG2 LYS 85 lone 3 56 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 2 48 - 5 - HE3 LYS 39 - HG2 LYS 85 lone 2 45 - 5 - HB3 TYR 55 - HG3 LYS 73 lone 2 41 - 4 - 3.8/5732=2 HB3 TYR 81 - HG2 LYS 85 lone 1 45 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 0 40 - 1 - Peak 3105 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 48 assignments used, quality = 1.00: * HE3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 - 100 - 3.7=100 HE3 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3112=2, 2.9/3102=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3102=2, 2.9/3112=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3113=2, 2.9/3103=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3113=2, 2.9/3113=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 36 89 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG3 LYS 75 OK 36 89 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 73 - HG2 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG3 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG2 LYS 75 OK 36 99 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE3 LYS 73 - HG3 LYS 75 OK 36 99 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE3 LYS 39 - HG3 LYS 75 OK 35 85 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG2 LYS 75 OK 35 85 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE2 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE3 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE3 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE2 LYS 39 - HG3 LYS 73 poor 9 48 - 19 - 3.6/1867=2 HE2 LYS 73 - HG2 LYS 85 poor 9 57 - 16 - HE3 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 39 - HG3 LYS 73 poor 9 45 - 19 - 3.6/1867=2 HE3 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HE2 LYS 13 - HG2 LYS 85 poor 8 57 - 14 - HB3 TYR 81 - HG3 LYS 75 lone 6 85 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG2 LYS 75 lone 6 85 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 55 - HG3 LYS 75 lone 5 81 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 5 81 - 6 - 3.8/5732=1 HB3 TYR 81 - HG3 LYS 73 lone 3 45 - 7 - 2.5/4685=2, 5459/3.8=1...(4) HE3 LYS 32 - HG2 LYS 85 lone 3 58 - 5 - HE2 LYS 32 - HG2 LYS 85 lone 3 57 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 2 47 - 5 - HE3 LYS 39 - HG2 LYS 85 lone 2 44 - 5 - HB3 TYR 55 - HG3 LYS 73 lone 2 42 - 4 - 3.8/5732=2 HB3 TYR 81 - HG2 LYS 85 lone 1 44 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 1 41 - 1 - Peak 3107 from cnoeabs.peaks (4.24, 1.39, 24.91 ppm; 4.06 A): 5 out of 44 assignments used, quality = 1.00: HA LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.9=100 * HA LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.9=100 HA LYS 39 + HG2 LYS 75 OK 70 99 - 71 - 1837=8, 1837/1.8=8...(29) HA LYS 39 + HG3 LYS 75 OK 70 99 - 71 - 1837=8, 1837/1.8=8...(29) HA LYS 85 + HG2 LYS 85 OK 49 49 - 100 - 3.8=100 HA LYS 85 - HG2 LYS 75 OK 37 92 - 41 - 3427=3, 3427/1.8=3...(16) HA LYS 85 - HG3 LYS 75 OK 37 92 - 41 - 3427=3, 3427/1.8=3...(16) HA LYS 75 - HG3 LYS 73 OK 29 61 - 48 - 3070=5, 3068/2.9=5...(21) HA LYS 75 - HG2 LYS 85 OK 22 59 - 37 - 3066/4.8=4, 3070=4...(10) HA LYS 83 - HG2 LYS 75 OK 22 100 - 22 - 2.9/5897=2, 6143=1...(8) HA LYS 83 - HG3 LYS 75 OK 22 100 - 22 - 2.9/5897=2, 6143=1...(8) HA LYS 83 - HG2 LYS 85 OK 20 59 - 35 - ~3297=3, 3280/2.9=3...(16) HA LYS 85 - HG3 LYS 73 OK 19 51 - 38 - 3427=3, 3428/1.8=3...(17) HA LYS 39 - HG3 LYS 73 OK 19 59 - 32 - 1837=3, 1835/2.9=2...(9) HA ALA 77 - HG3 LYS 75 OK 16 97 - 17 - 339/4.9=4, 3.0/818=2...(4) HA ALA 77 - HG2 LYS 75 OK 16 97 - 17 - 339/4.9=4, 3.0/818=2...(4) HA LYS 83 - HG3 LYS 73 OK 12 61 - 19 - 2.9/5897=2, ~3287=1...(6) HA LYS 39 - HG2 LYS 85 poor 7 58 - 13 - 385/4.7=1, 3298/2.9=1 HA LEU 64 - HG2 LYS 75 lone 7 90 - 7 - 339/4.9=2 HA LEU 64 - HG3 LYS 75 lone 7 90 - 7 - 339/4.9=2 HA ALA 20 - HG3 LYS 75 lone 6 89 - 6 - HA ALA 20 - HG2 LYS 75 lone 6 89 - 6 - HA ALA 77 - HG2 LYS 85 lone 4 54 - 8 - HA ALA 77 - HG3 LYS 73 lone 4 56 - 7 - 3.0/818=1 HA GLU 19 - HG2 LYS 75 lone 3 95 - 4 - HA GLU 19 - HG3 LYS 75 lone 3 95 - 4 - HB THR 37 - HG3 LYS 75 lone 3 81 - 3 - HB THR 37 - HG2 LYS 75 lone 3 81 - 3 - HA THR 15 - HG3 LYS 75 lone 3 100 - 3 - HA THR 15 - HG2 LYS 75 lone 3 100 - 3 - HA LEU 64 - HG3 LYS 73 lone 2 50 - 5 - HA THR 15 - HG2 LYS 85 lone 2 59 - 4 - HA ALA 12 - HG2 LYS 75 lone 2 93 - 2 - HA ALA 12 - HG3 LYS 75 lone 2 93 - 2 - HA THR 15 - HG3 LYS 73 lone 2 61 - 3 - HA GLU 19 - HG2 LYS 85 lone 2 52 - 4 - HA ALA 12 - HG2 LYS 85 lone 2 51 - 3 - HA ALA 20 - HG3 LYS 73 lone 1 48 - 3 - HA LEU 64 - HG2 LYS 85 lone 1 48 - 3 - HA GLU 19 - HG3 LYS 73 lone 1 53 - 2 - HA ALA 20 - HG2 LYS 85 lone 1 47 - 2 - HB THR 37 - HG3 LYS 73 lone 1 42 - 3 - HB THR 37 - HG2 LYS 85 lone 1 41 - 2 - HA ALA 12 - HG3 LYS 73 lone 1 52 - 1 - Peak 3108 from cnoeabs.peaks (1.84, 1.39, 24.91 ppm; 3.72 A): 4 out of 44 assignments used, quality = 1.00: HB2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.7=100 * HB2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.7=100 HB2 LYS 39 + HG2 LYS 75 OK 66 96 - 70 - 2.9/1867=5, 3.0/1837=5...(39) HB2 LYS 39 + HG3 LYS 75 OK 66 96 - 70 - 2.9/1867=5, 3.0/1837=5...(39) HB2 LYS 73 - HG2 LYS 75 OK 45 83 - 55 - 3068/3.9=3, 3.0/2963=2...(19) HB2 LYS 73 - HG3 LYS 75 OK 45 83 - 55 - 3068/3.9=3, 3.0/2963=2...(19) HB2 LYS 73 - HG3 LYS 73 OK 44 44 - 100 - 2.9=100 HB2 LYS 75 - HG3 LYS 73 OK 24 61 - 40 - 3.0/3071=3, 2972/1.8=3...(15) HB ILE 89 - HG3 LYS 73 OK 17 45 - 37 - 3.2/5274=5, 3605/3.8=4...(15) HB2 LYS 39 - HG3 LYS 73 OK 16 55 - 29 - 2.9/1867=2, 3.0/1837=2...(5) HB2 LYS 75 - HG2 LYS 85 OK 16 59 - 27 - 3.0/3071=2, 3076/4.8=2...(10) HB2 LYS 73 - HG2 LYS 85 OK 14 43 - 33 - 2972/1.8=2, 4.0/790=2...(11) HB ILE 89 - HG2 LYS 75 OK 13 85 - 16 - 3.2/5274=2, ~5274=1 HB ILE 89 - HG3 LYS 75 OK 13 85 - 16 - 3.2/5274=2, ~5274=1 HB2 ARG 71 - HG2 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB2 ARG 71 - HG3 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB3 ARG 71 - HG3 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB3 ARG 71 - HG2 LYS 75 lone 10 97 - 10 - 4.4/5839=1, 3068/3.9=1 HB ILE 89 - HG2 LYS 85 poor 10 44 - 22 - 5903/4.7=3, 3609/1.8=2...(8) HB2 ARG 23 - HG2 LYS 75 lone 9 100 - 9 - HB2 ARG 23 - HG3 LYS 75 lone 9 100 - 9 - HB3 ARG 23 - HG2 LYS 75 lone 9 100 - 9 - HB3 ARG 23 - HG3 LYS 75 lone 9 100 - 9 - HB2 ARG 71 - HG3 LYS 73 poor 7 56 - 13 - 4.4/5839=2 HB3 ARG 71 - HG3 LYS 73 poor 7 56 - 13 - 4.4/5839=2 HB2 LYS 39 - HG2 LYS 85 poor 6 53 - 11 - HB2 ARG 27 - HG3 LYS 75 lone 4 97 - 4 - HB2 ARG 27 - HG2 LYS 75 lone 4 97 - 4 - HB3 ARG 27 - HG3 LYS 75 lone 4 97 - 4 - HB3 ARG 27 - HG2 LYS 75 lone 4 97 - 4 - HB2 ARG 17 - HG3 LYS 73 lone 4 61 - 6 - HB2 ARG 17 - HG2 LYS 75 lone 3 100 - 3 - HB2 ARG 17 - HG3 LYS 75 lone 3 100 - 3 - HB2 ARG 71 - HG2 LYS 85 lone 2 55 - 4 - HB3 ARG 71 - HG2 LYS 85 lone 2 54 - 4 - HB2 ARG 23 - HG3 LYS 73 lone 2 60 - 3 - HB3 ARG 23 - HG3 LYS 73 lone 2 60 - 3 - HB2 ARG 17 - HG2 LYS 85 lone 2 59 - 3 - HB2 ARG 27 - HG3 LYS 73 lone 1 56 - 2 - HB3 ARG 27 - HG3 LYS 73 lone 1 56 - 2 - HB2 ARG 27 - HG2 LYS 85 lone 1 55 - 1 - HB3 ARG 27 - HG2 LYS 85 lone 1 54 - 1 - HB2 ARG 23 - HG2 LYS 85 lone 1 59 - 1 - HB3 ARG 23 - HG2 LYS 85 lone 1 58 - 1 - Peak 3109 from cnoeabs.peaks (1.79, 1.39, 24.91 ppm; 3.40 A): 6 out of 64 assignments used, quality = 1.00: * HB3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.7=100 HB3 LYS 39 + HG3 LYS 75 OK 58 100 - 59 - 2.9/1867=5, 3.0/1837=4...(31) HB3 LYS 39 + HG2 LYS 75 OK 58 100 - 59 - 2.9/1867=5, 3.0/1837=4...(31) HB3 LYS 73 + HG3 LYS 73 OK 56 56 - 100 - 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 - 100 - 2.9=100 HB3 LYS 73 - HG2 LYS 75 OK 43 97 - 45 - 3069/3.9=2, 3.0/2963=2...(14) HB3 LYS 73 - HG3 LYS 75 OK 43 97 - 45 - 3069/3.9=2, 3.0/2963=2...(14) HB2 LYS 13 - HG3 LYS 75 OK 39 100 - 39 - 3069/3.9=2, 3.0/3467=2...(8) HB2 LYS 13 - HG2 LYS 75 OK 39 100 - 39 - 3069/3.9=2, 3.0/3467=2...(8) HB2 ARG 69 - HG3 LYS 75 OK 33 92 - 36 - 2795=4, 2795/1.8=3...(15) HB2 ARG 69 - HG2 LYS 75 OK 33 92 - 36 - 2795=4, 2795/1.8=3...(15) HB2 LYS 85 - HG3 LYS 75 OK 29 92 - 32 - 1.8/3447=2, 3069/3.9=2...(6) HB2 LYS 85 - HG2 LYS 75 OK 29 92 - 32 - 1.8/3447=2, 3069/3.9=2...(6) HB3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 3.0/3070=3, 2982/1.8=2...(11) HB2 LYS 32 - HG3 LYS 73 OK 16 52 - 31 - 1581/2.9=1, 1571/2.9=1...(9) HB3 LYS 32 - HG3 LYS 73 OK 16 52 - 31 - 1581/2.9=1, 1571/2.9=1...(9) HB3 LYS 73 - HG2 LYS 85 OK 15 55 - 28 - 3299/2.9=2, ~2972=1...(10) HB3 LYS 39 - HG3 LYS 73 OK 15 60 - 25 - 2.9/1867=2, 3.0/1837=2...(4) HB3 LYS 32 - HG3 LYS 75 OK 14 93 - 15 - HB2 LYS 32 - HG2 LYS 75 OK 14 93 - 15 - HB3 LYS 32 - HG2 LYS 75 OK 14 93 - 15 - HB2 LYS 32 - HG3 LYS 75 OK 14 93 - 15 - HB2 LYS 85 - HG3 LYS 73 OK 14 51 - 27 - 1.8/3447=2, ~3448=2...(7) HB2 LYS 13 - HG2 LYS 85 OK 13 59 - 23 - ~1014=2, ~1030=1...(6) HB2 LYS 83 - HG2 LYS 75 OK 13 99 - 13 - 1.8/3447=1 HB2 LYS 83 - HG3 LYS 75 OK 13 99 - 13 - 1.8/3447=1 HB2 LYS 83 - HG2 LYS 85 OK 13 58 - 23 - ~3448=2, 1.8/3447=2...(8) HB3 LYS 75 - HG2 LYS 85 OK 13 59 - 22 - 3.0/3071=2, 3299/2.9=2...(5) HB2 ARG 69 - HG3 LYS 73 OK 12 51 - 25 - 2795=3, 3.0/2787=2...(7) HB2 LYS 13 - HG3 LYS 73 OK 12 61 - 20 - ~1014=1, 2982/1.8=1, ~1011=1 HB3 ARG 84 - HG2 LYS 85 OK 10 49 - 21 - 3385/2.9=2, 379/4.8=2...(7) HB3 ARG 84 - HG3 LYS 73 poor 9 51 - 19 - 3384/3.8=1, ~2962=1...(4) HB2 ARG 69 - HG2 LYS 85 poor 8 49 - 15 - 2797=2, ~2802=1, 3.0/2789=1 HB3 ARG 84 - HG2 LYS 75 lone 7 92 - 7 - HB3 ARG 84 - HG3 LYS 75 lone 7 92 - 7 - HB2 LYS 83 - HG3 LYS 73 poor 7 59 - 11 - 4.0/5897=1 HB2 ARG 54 - HG3 LYS 75 lone 6 78 - 8 - 3.0/4967=1 HB2 ARG 54 - HG2 LYS 75 lone 6 78 - 8 - 3.0/4967=1 HB3 LYS 39 - HG2 LYS 85 lone 6 58 - 9 - HB2 LEU 57 - HG3 LYS 73 poor 5 42 - 12 - 2438/1.8=2 HB2 LEU 57 - HG3 LYS 75 lone 4 81 - 5 - HB2 LEU 57 - HG2 LYS 75 lone 4 81 - 5 - HB3 ARG 82 - HG3 LYS 73 lone 4 41 - 10 - 3.0/5446=1 HB2 ARG 54 - HG3 LYS 73 lone 4 41 - 9 - 3.0/4967=2, 4.1/209=1 HB3 ARG 82 - HG2 LYS 75 lone 4 78 - 5 - HB3 ARG 82 - HG3 LYS 75 lone 4 78 - 5 - HB2 PRO 34 - HG3 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HG2 LYS 75 lone 3 99 - 3 - HB ILE 33 - HG3 LYS 75 lone 3 85 - 3 - HB ILE 33 - HG2 LYS 75 lone 3 85 - 3 - HB2 LYS 32 - HG2 LYS 85 lone 2 51 - 4 - HB3 LYS 32 - HG2 LYS 85 lone 2 51 - 4 - HB3 ARG 82 - HG2 LYS 85 lone 2 40 - 6 - 4.4/5897=2 HB2 PRO 34 - HG3 LYS 73 lone 2 58 - 3 - HG2 PRO 34 - HG2 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HG3 LYS 75 lone 2 63 - 3 - HB ILE 33 - HG2 LYS 85 lone 1 44 - 3 - HB ILE 33 - HG3 LYS 73 lone 1 45 - 3 - HG2 PRO 34 - HG3 LYS 73 lone 1 31 - 4 - HB2 LEU 57 - HG2 LYS 85 lone 1 41 - 3 - HB2 PRO 34 - HG2 LYS 85 lone 1 56 - 2 - HB2 ARG 54 - HG2 LYS 85 lone 1 40 - 2 - HG2 PRO 34 - HG2 LYS 85 lone 0 30 - 1 - Peak 3110 from cnoeabs.peaks (1.39, 1.39, 24.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 HG2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 61 61 - 100 HG2 LYS 85 + HG2 LYS 85 OK 53 53 - 100 Reference assignment not found: HG2 LYS 75 - HG3 LYS 75 Peak 3111 from cnoeabs.peaks (1.39, 1.39, 24.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 HG2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 61 61 - 100 HG2 LYS 85 + HG2 LYS 85 OK 53 53 - 100 Peak 3112 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD3 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3131=2...(10) HB3 LYS 13 - HG3 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HB3 LYS 13 - HG2 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HD2 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3130=1...(6) HD3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3121=1...(6) HD2 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD3 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD2 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HD2 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HB3 LYS 13 - HG2 LYS 85 poor 10 47 - 21 - 1014/1.8=2, 1011/2.9=2...(4) HB3 LYS 13 - HG3 LYS 73 poor 9 48 - 18 - 1011/2.9=2, 1014/1.8=2 HB3 GLN 61 - HG3 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HB3 GLN 61 - HG2 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HG LEU 29 - HG3 LYS 75 lone 7 97 - 7 - HG LEU 29 - HG2 LYS 75 lone 7 97 - 7 - HG2 ARG 23 - HG2 LYS 75 lone 5 99 - 5 - HG2 ARG 23 - HG3 LYS 75 lone 5 99 - 5 - HG LEU 29 - HG3 LYS 73 lone 5 56 - 8 - 1498/3.8=2, 3766/4.9=1 HG LEU 29 - HG2 LYS 85 lone 2 55 - 4 - HB3 GLN 61 - HG3 LYS 73 lone 1 60 - 2 - HG2 ARG 23 - HG3 LYS 73 lone 1 59 - 2 - HB3 GLN 61 - HG2 LYS 85 lone 1 58 - 1 - HG2 ARG 23 - HG2 LYS 85 lone 0 58 - 1 - Peak 3113 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 * HD3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 2.9=100 HD3 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD3 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG3 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3130=2...(10) HD2 LYS 13 - HG2 LYS 75 OK 44 100 - 44 - 3073/3.9=2, 3131=2...(10) HB3 LYS 13 - HG3 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HB3 LYS 13 - HG2 LYS 75 OK 32 89 - 37 - 1011/2.7=3, 3073/3.9=2...(5) HD2 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3130=1...(6) HD3 LYS 75 - HG3 LYS 73 OK 21 61 - 35 - 1054/1.8=2, 3121=1...(6) HD2 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD3 LYS 13 - HG3 LYS 73 OK 15 61 - 25 - 1044/1.8=1, 3130=1 HD2 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 75 - HG2 LYS 85 OK 10 59 - 17 - 1054/1.8=1, 4.7/3070=1 HD3 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HD2 LYS 13 - HG2 LYS 85 poor 10 59 - 17 - 1044/1.8=1 HB3 LYS 13 - HG2 LYS 85 poor 10 47 - 21 - 1014/1.8=2, 1011/2.9=2...(4) HB3 LYS 13 - HG3 LYS 73 poor 9 48 - 18 - 1011/2.9=2, 1014/1.8=2 HB3 GLN 61 - HG3 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HB3 GLN 61 - HG2 LYS 75 lone 7 100 - 7 - 3.0/4502=1, ~2535=1 HG LEU 29 - HG3 LYS 75 lone 7 97 - 7 - HG LEU 29 - HG2 LYS 75 lone 7 97 - 7 - HG2 ARG 23 - HG2 LYS 75 lone 5 99 - 5 - HG2 ARG 23 - HG3 LYS 75 lone 5 99 - 5 - HG LEU 29 - HG3 LYS 73 lone 5 56 - 8 - 1498/3.8=2, 3766/4.9=1 HG LEU 29 - HG2 LYS 85 lone 2 55 - 4 - HB3 GLN 61 - HG3 LYS 73 lone 1 60 - 2 - HG2 ARG 23 - HG3 LYS 73 lone 1 59 - 2 - HB3 GLN 61 - HG2 LYS 85 lone 1 58 - 1 - HG2 ARG 23 - HG2 LYS 85 lone 0 58 - 1 - Peak 3114 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 48 assignments used, quality = 1.00: HE2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 * HE2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 57 57 - 100 - 3.7=100 HE3 LYS 13 - HG3 LYS 75 OK 40 100 - 40 - 2.9/3113=2, 2.9/3112=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 40 100 - 40 - 2.9/3113=2, 2.9/3113=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3103=2, 2.9/3113=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3103=2, 2.9/3113=2...(8) HE2 LYS 39 - HG3 LYS 75 OK 37 90 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 37 90 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG3 LYS 75 OK 36 87 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG2 LYS 75 OK 36 87 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 73 - HG3 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG2 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG3 LYS 75 OK 35 98 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG2 LYS 75 OK 35 98 - 37 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE2 LYS 32 - HG3 LYS 73 OK 17 58 - 30 - 3042/1.8=1, ~2995=1...(8) HE3 LYS 13 - HG3 LYS 73 OK 15 60 - 25 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE3 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE2 LYS 39 - HG3 LYS 73 poor 9 50 - 19 - 3.6/1867=2 HE2 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 39 - HG3 LYS 73 poor 9 47 - 19 - 3.6/1867=2 HE3 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HE2 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HB3 TYR 81 - HG2 LYS 75 lone 6 87 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG3 LYS 75 lone 6 87 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 55 - HG3 LYS 75 lone 5 78 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 5 78 - 6 - 3.8/5732=1 HB3 TYR 81 - HG3 LYS 73 lone 3 47 - 7 - 2.5/4685=2, 5459/3.8=1...(4) HE3 LYS 32 - HG2 LYS 85 lone 3 57 - 5 - HE2 LYS 32 - HG2 LYS 85 lone 3 56 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 2 48 - 5 - HE3 LYS 39 - HG2 LYS 85 lone 2 45 - 5 - HB3 TYR 55 - HG3 LYS 73 lone 2 41 - 4 - 3.8/5732=2 HB3 TYR 81 - HG2 LYS 85 lone 1 45 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 0 40 - 1 - Peak 3115 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 48 assignments used, quality = 1.00: HE3 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 * HE3 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 100 100 - 100 - 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 58 58 - 100 - 3.7=100 HE3 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3112=2, 2.9/3102=2...(8) HE3 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3102=2, 2.9/3112=2...(8) HE2 LYS 13 - HG3 LYS 75 OK 40 99 - 40 - 2.9/3113=2, 2.9/3103=2...(8) HE2 LYS 13 - HG2 LYS 75 OK 40 99 - 40 - 2.9/3113=2, 2.9/3113=2...(8) HE2 LYS 39 - HG2 LYS 75 OK 36 89 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 39 - HG3 LYS 75 OK 36 89 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE2 LYS 73 - HG2 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE2 LYS 73 - HG3 LYS 75 OK 36 99 - 36 - 3.7/2993=2, 3.0/3013=1...(5) HE3 LYS 73 - HG2 LYS 75 OK 36 99 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE3 LYS 73 - HG3 LYS 75 OK 36 99 - 37 - 3.7/2993=2, 3.0/3023=1...(5) HE3 LYS 39 - HG3 LYS 75 OK 35 85 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 39 - HG2 LYS 75 OK 35 85 - 41 - 3.6/1867=5, 6.2/1837=2...(8) HE3 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3042/1.8=2, 3040/2.9=1...(9) HE2 LYS 75 - HG3 LYS 73 OK 26 61 - 43 - 3032/1.8=2, 3030/2.9=1...(9) HE3 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG2 LYS 75 OK 19 99 - 19 - HE2 LYS 32 - HG3 LYS 75 OK 19 99 - 19 - HE3 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE2 LYS 32 - HG3 LYS 73 OK 17 59 - 30 - 3042/1.8=1, ~2995=1...(8) HE3 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 13 - HG3 LYS 73 OK 15 59 - 25 - 3032/1.8=1 HE2 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE3 LYS 75 - HG2 LYS 85 OK 12 59 - 20 - HE2 LYS 39 - HG3 LYS 73 poor 9 48 - 19 - 3.6/1867=2 HE2 LYS 73 - HG2 LYS 85 poor 9 57 - 16 - HE3 LYS 73 - HG2 LYS 85 poor 9 56 - 16 - HE3 LYS 39 - HG3 LYS 73 poor 9 45 - 19 - 3.6/1867=2 HE3 LYS 13 - HG2 LYS 85 poor 8 58 - 14 - HE2 LYS 13 - HG2 LYS 85 poor 8 57 - 14 - HB3 TYR 81 - HG3 LYS 75 lone 6 85 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 81 - HG2 LYS 75 lone 6 85 - 7 - 2.5/4685=2, ~4685=1 HB3 TYR 55 - HG3 LYS 75 lone 5 81 - 6 - 3.8/5732=1 HB3 TYR 55 - HG2 LYS 75 lone 5 81 - 6 - 3.8/5732=1 HB3 TYR 81 - HG3 LYS 73 lone 3 45 - 7 - 2.5/4685=2, 5459/3.8=1...(4) HE3 LYS 32 - HG2 LYS 85 lone 3 58 - 5 - HE2 LYS 32 - HG2 LYS 85 lone 3 57 - 5 - HE2 LYS 39 - HG2 LYS 85 lone 2 47 - 5 - HE3 LYS 39 - HG2 LYS 85 lone 2 44 - 5 - HB3 TYR 55 - HG3 LYS 73 lone 2 42 - 4 - 3.8/5732=2 HB3 TYR 81 - HG2 LYS 85 lone 1 44 - 2 - HB3 TYR 55 - HG2 LYS 85 lone 1 41 - 1 - Peak 3117 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 3.78 A): 6 out of 44 assignments used, quality = 1.00: * HA LYS 75 + HD2 LYS 75 OK 79 100 - 79 - 4.7=53, 3072/1.8=9...(19) HA LYS 75 + HD3 LYS 75 OK 79 100 - 79 - 4.7=53, 3072/1.8=9...(19) HA LYS 75 + HD2 LYS 13 OK 47 100 - 48 - 3073=7, 3073/1.8=5...(20) HA LYS 75 + HD3 LYS 13 OK 47 100 - 48 - 3073=7, 3072/1.8=5...(20) HA LYS 39 + HD2 LYS 75 OK 47 99 - 48 - 1834/3.5=6, 1837/2.9=6...(18) HA LYS 39 + HD3 LYS 75 OK 47 99 - 48 - 1834/3.5=6, 1837/2.9=6...(18) HA LYS 39 - HD2 LYS 13 OK 27 99 - 27 - 1837/2.9=2, 1835/3.5=2...(7) HA LYS 39 - HD3 LYS 13 OK 27 99 - 27 - 1837/2.9=2, 1835/3.5=2...(7) HA LYS 85 - HD2 LYS 75 OK 20 92 - 22 - 3427/2.9=2, 3427/2.9=2...(5) HA LYS 85 - HD3 LYS 75 OK 20 92 - 22 - 3427/2.9=2, 3427/2.9=2...(5) HA LYS 85 - HD2 LYS 13 OK 18 92 - 19 - 3428/2.9=2, ~3448=1...(4) HA LYS 85 - HD3 LYS 13 OK 18 92 - 19 - 3428/2.9=2, ~3448=1...(4) HA ALA 12 - HD3 LYS 13 OK 11 93 - 12 - 3704/6.1=10 HA ALA 12 - HD2 LYS 13 OK 11 93 - 12 - 3704/6.1=10 HA LYS 83 - HD3 LYS 75 lone 10 100 - 10 - HA LYS 83 - HD2 LYS 75 lone 10 100 - 10 - HA LYS 83 - HD2 LYS 13 lone 6 100 - 6 - HA LYS 83 - HD3 LYS 13 lone 6 100 - 6 - HA ALA 77 - HD3 LYS 75 lone 6 97 - 6 - HA ALA 77 - HD2 LYS 75 lone 6 97 - 6 - HA LEU 64 - HD2 LYS 13 lone 4 90 - 4 - HA LEU 64 - HD3 LYS 13 lone 4 90 - 4 - HA LEU 64 - HD2 LYS 75 lone 4 90 - 4 - HA LEU 64 - HD3 LYS 75 lone 4 90 - 4 - HA ALA 20 - HD2 LYS 75 lone 3 89 - 3 - HA ALA 20 - HD3 LYS 75 lone 3 89 - 3 - HA ALA 12 - HD3 LYS 75 lone 2 93 - 3 - 3.6/469=1 HA ALA 12 - HD2 LYS 75 lone 2 93 - 3 - 3.6/469=1 HA GLU 19 - HD3 LYS 75 lone 1 95 - 2 - HA GLU 19 - HD2 LYS 75 lone 1 95 - 2 - HA THR 15 - HD3 LYS 75 lone 1 100 - 1 - HA THR 15 - HD2 LYS 75 lone 1 100 - 1 - HB THR 37 - HD3 LYS 75 lone 1 81 - 2 - HB THR 37 - HD2 LYS 75 lone 1 81 - 2 - HA ALA 77 - HD3 LYS 13 lone 1 97 - 1 - HA ALA 77 - HD2 LYS 13 lone 1 97 - 1 - HA THR 15 - HD3 LYS 13 lone 1 100 - 1 - HA THR 15 - HD2 LYS 13 lone 1 100 - 1 - HA GLU 19 - HD3 LYS 13 lone 1 94 - 1 - HA GLU 19 - HD2 LYS 13 lone 1 94 - 1 - HA ALA 20 - HD3 LYS 13 lone 1 89 - 1 - HA ALA 20 - HD2 LYS 13 lone 1 89 - 1 - HB THR 37 - HD3 LYS 13 lone 1 81 - 1 - HB THR 37 - HD2 LYS 13 lone 1 81 - 1 - Peak 3118 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 44 assignments used, quality = 0.99: * HB2 LYS 75 + HD2 LYS 75 OK 90 100 - 90 - 3.5=83, 3.0/3073=6...(18) HB2 LYS 75 + HD3 LYS 75 OK 90 100 - 90 - 3.5=83, 3.0/3073=6...(18) HB2 LYS 75 - HD2 LYS 13 OK 43 100 - 43 - 3.0/3072=3, 3082=2...(13) HB2 LYS 75 - HD3 LYS 13 OK 43 100 - 43 - 3.0/3072=3, 3082=2...(13) HB2 LYS 39 - HD3 LYS 75 OK 42 96 - 44 - 3068/4.7=3, 1847/2.9=2...(14) HB2 LYS 39 - HD2 LYS 75 OK 42 96 - 44 - 3068/4.7=3, 1847/2.9=2...(14) HB2 LYS 73 - HD3 LYS 75 OK 31 83 - 38 - 3068/4.7=2, 3.0/1480=1...(9) HB2 LYS 73 - HD2 LYS 75 OK 31 83 - 38 - 3068/4.7=2, 3.0/1480=1...(9) HB2 LYS 39 - HD2 LYS 13 OK 28 96 - 29 - ~1021=1, 3083=1...(5) HB2 LYS 39 - HD3 LYS 13 OK 28 96 - 29 - ~1021=1, 3082=1...(5) HB2 LYS 73 - HD3 LYS 13 OK 24 83 - 29 - 2972/2.9=1, ~1021=1...(5) HB2 LYS 73 - HD2 LYS 13 OK 24 83 - 29 - 2972/2.9=1, ~1021=1...(5) HB ILE 89 - HD3 LYS 13 OK 14 85 - 17 - 3609/2.9=2, 3609/2.9=2...(5) HB ILE 89 - HD2 LYS 13 OK 14 85 - 17 - 3609/2.9=2, 3609/2.9=2...(5) HB2 ARG 23 - HD2 LYS 75 lone 8 100 - 8 - HB2 ARG 23 - HD3 LYS 75 lone 8 100 - 8 - HB3 ARG 23 - HD3 LYS 75 lone 8 100 - 8 - HB3 ARG 23 - HD2 LYS 75 lone 8 100 - 8 - HB ILE 89 - HD3 LYS 75 lone 5 85 - 6 - HB ILE 89 - HD2 LYS 75 lone 5 85 - 6 - HB2 ARG 23 - HD3 LYS 13 lone 5 100 - 5 - HB2 ARG 23 - HD2 LYS 13 lone 5 100 - 5 - HB3 ARG 23 - HD3 LYS 13 lone 5 100 - 5 - HB3 ARG 23 - HD2 LYS 13 lone 5 100 - 5 - HB2 ARG 71 - HD2 LYS 75 lone 5 97 - 5 - HB2 ARG 71 - HD3 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HD2 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HD3 LYS 75 lone 5 97 - 5 - HB2 ARG 27 - HD3 LYS 75 lone 3 97 - 3 - HB2 ARG 27 - HD2 LYS 75 lone 3 97 - 3 - HB3 ARG 27 - HD3 LYS 75 lone 3 97 - 3 - HB3 ARG 27 - HD2 LYS 75 lone 3 97 - 3 - HB2 ARG 27 - HD3 LYS 13 lone 2 97 - 2 - HB2 ARG 27 - HD2 LYS 13 lone 2 97 - 2 - HB3 ARG 27 - HD2 LYS 13 lone 2 97 - 2 - HB3 ARG 27 - HD3 LYS 13 lone 2 97 - 2 - HB2 ARG 71 - HD3 LYS 13 lone 1 97 - 1 - HB2 ARG 71 - HD2 LYS 13 lone 1 97 - 1 - HB3 ARG 71 - HD3 LYS 13 lone 1 97 - 1 - HB3 ARG 71 - HD2 LYS 13 lone 1 97 - 1 - HB2 ARG 17 - HD2 LYS 75 lone 1 100 - 1 - HB2 ARG 17 - HD3 LYS 75 lone 1 100 - 1 - HB2 ARG 17 - HD3 LYS 13 lone 1 100 - 1 - HB2 ARG 17 - HD2 LYS 13 lone 1 100 - 1 - Peak 3119 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.52 A): 8 out of 64 assignments used, quality = 1.00: HB3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 3.5=100 * HB3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 - 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3072=4...(18) HB3 LYS 75 + HD3 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3072=4...(18) HB3 LYS 39 + HD2 LYS 75 OK 45 100 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 39 + HD3 LYS 75 OK 45 100 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 73 - HD2 LYS 75 OK 38 97 - 40 - 1.8/3128=2, 3069/4.7=2...(13) HB3 LYS 73 - HD3 LYS 75 OK 38 97 - 40 - 1.8/3128=2, 3069/4.7=2...(13) HB2 LYS 13 - HD2 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1054=2...(18) HB2 LYS 13 - HD3 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1044=2...(18) HB3 LYS 73 - HD3 LYS 13 OK 31 97 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 73 - HD2 LYS 13 OK 31 97 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 39 - HD3 LYS 13 OK 31 100 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 39 - HD2 LYS 13 OK 31 100 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB2 LYS 85 - HD3 LYS 13 OK 22 92 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD2 LYS 13 OK 22 92 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD3 LYS 75 OK 21 92 - 23 - 3069/4.7=1, ~3447=1 HB2 LYS 85 - HD2 LYS 75 OK 21 92 - 23 - 3069/4.7=1, ~3447=1 HB2 ARG 69 - HD3 LYS 75 OK 15 92 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB2 ARG 69 - HD2 LYS 75 OK 15 92 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB ILE 33 - HD2 LYS 13 OK 12 85 - 14 - 1021/2.9=2, 1655/2.9=2...(5) HB ILE 33 - HD3 LYS 13 OK 12 85 - 14 - 1021/2.9=2, 1655/2.9=2...(5) HB2 LEU 57 - HD3 LYS 13 OK 11 81 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LEU 57 - HD2 LYS 13 OK 11 81 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LYS 32 - HD2 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD2 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD3 LYS 75 OK 10 93 - 11 - HB2 LYS 32 - HD3 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD3 LYS 13 poor 10 93 - 10 - HB2 LYS 32 - HD2 LYS 13 poor 10 93 - 10 - HB2 LYS 32 - HD3 LYS 13 poor 10 93 - 10 - HB3 LYS 32 - HD2 LYS 13 poor 10 93 - 10 - HB2 ARG 69 - HD2 LYS 13 lone 8 92 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 ARG 69 - HD3 LYS 13 lone 8 92 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 LYS 83 - HD3 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD3 LYS 13 lone 6 99 - 6 - HB2 LYS 83 - HD2 LYS 13 lone 6 99 - 6 - HB2 LEU 57 - HD3 LYS 75 lone 6 81 - 7 - 3.1/4985=1 HB2 LEU 57 - HD2 LYS 75 lone 6 81 - 7 - 3.1/4985=1 HB2 PRO 34 - HD2 LYS 13 lone 3 99 - 3 - HB2 PRO 34 - HD3 LYS 13 lone 3 99 - 3 - HB3 ARG 84 - HD3 LYS 75 lone 3 92 - 3 - HB3 ARG 84 - HD2 LYS 75 lone 3 92 - 3 - HB3 ARG 84 - HD3 LYS 13 lone 3 92 - 3 - HB3 ARG 84 - HD2 LYS 13 lone 3 92 - 3 - HB ILE 33 - HD3 LYS 75 lone 3 85 - 3 - HB ILE 33 - HD2 LYS 75 lone 3 85 - 3 - HB2 PRO 34 - HD2 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HD3 LYS 75 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 13 lone 2 78 - 3 - HB3 ARG 82 - HD3 LYS 13 lone 2 78 - 3 - HB2 ARG 54 - HD3 LYS 75 lone 2 78 - 3 - HB2 ARG 54 - HD2 LYS 75 lone 2 78 - 3 - HG2 PRO 34 - HD3 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HD2 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HD3 LYS 13 lone 1 63 - 2 - HG2 PRO 34 - HD2 LYS 13 lone 1 63 - 2 - HB3 ARG 82 - HD2 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HD3 LYS 75 lone 1 78 - 2 - HB2 ARG 54 - HD3 LYS 13 lone 1 78 - 2 - HB2 ARG 54 - HD2 LYS 13 lone 1 78 - 2 - Peak 3120 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.59 A): 8 out of 48 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 * HG2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3113=3...(19) HG2 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3103=3...(19) HG3 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 73 - HD2 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 73 - HD3 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 39 - HD2 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 39 - HD3 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 73 - HD2 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 73 - HD3 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 39 - HD3 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG3 LYS 39 - HD2 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG2 LYS 85 - HD2 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD3 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD2 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HG2 LYS 85 - HD3 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HB3 ARG 69 - HD3 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HB3 ARG 69 - HD2 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HG3 ARG 69 - HD3 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HG3 ARG 69 - HD2 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HB3 ARG 69 - HD2 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HB3 ARG 69 - HD3 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HG3 ARG 69 - HD2 LYS 13 lone 6 94 - 6 - 2818/3.5=1 HG3 ARG 69 - HD3 LYS 13 lone 6 94 - 6 - 2818/3.5=1 QB ALA 77 - HD3 LYS 75 lone 5 93 - 6 - QB ALA 77 - HD2 LYS 75 lone 5 93 - 6 - HG2 LYS 83 - HD2 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD3 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD2 LYS 13 lone 3 81 - 4 - HG2 LYS 83 - HD3 LYS 13 lone 3 81 - 4 - QB ALA 78 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 20 - HD3 LYS 75 lone 2 96 - 2 - QB ALA 20 - HD2 LYS 75 lone 2 96 - 2 - QB ALA 53 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 53 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 77 - HD3 LYS 13 lone 1 93 - 1 - QB ALA 77 - HD2 LYS 13 lone 1 93 - 1 - QB ALA 20 - HD2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HD3 LYS 13 lone 1 96 - 1 - Peak 3121 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.59 A): 8 out of 48 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 * HG3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3113=3...(19) HG2 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3103=3...(19) HG3 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 73 - HD2 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 73 - HD3 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 39 - HD2 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 39 - HD3 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 73 - HD2 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 73 - HD3 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 39 - HD3 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG3 LYS 39 - HD2 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG2 LYS 85 - HD2 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD3 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD2 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HG2 LYS 85 - HD3 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HB3 ARG 69 - HD3 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HB3 ARG 69 - HD2 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HG3 ARG 69 - HD3 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HG3 ARG 69 - HD2 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HB3 ARG 69 - HD2 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HB3 ARG 69 - HD3 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HG3 ARG 69 - HD2 LYS 13 lone 6 94 - 6 - 2818/3.5=1 HG3 ARG 69 - HD3 LYS 13 lone 6 94 - 6 - 2818/3.5=1 QB ALA 77 - HD3 LYS 75 lone 5 93 - 6 - QB ALA 77 - HD2 LYS 75 lone 5 93 - 6 - HG2 LYS 83 - HD2 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD3 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD2 LYS 13 lone 3 81 - 4 - HG2 LYS 83 - HD3 LYS 13 lone 3 81 - 4 - QB ALA 78 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 20 - HD3 LYS 75 lone 2 96 - 2 - QB ALA 20 - HD2 LYS 75 lone 2 96 - 2 - QB ALA 53 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 53 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 77 - HD3 LYS 13 lone 1 93 - 1 - QB ALA 77 - HD2 LYS 13 lone 1 93 - 1 - QB ALA 20 - HD2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HD3 LYS 13 lone 1 96 - 1 - Peak 3122 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Peak 3123 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Reference assignment not found: HD3 LYS 75 - HD2 LYS 75 Peak 3124 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 87 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 87 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) * HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1025=1 HE2 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1025=1 HE2 LYS 73 - HD3 LYS 75 OK 10 99 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 10 99 - 11 - HE3 LYS 73 - HD2 LYS 75 OK 10 98 - 11 - HE3 LYS 73 - HD3 LYS 75 OK 10 98 - 11 - HE2 LYS 39 - HD2 LYS 75 poor 10 90 - 11 - HE2 LYS 39 - HD3 LYS 75 poor 10 90 - 11 - HE3 LYS 39 - HD3 LYS 75 poor 9 87 - 11 - HE3 LYS 39 - HD2 LYS 75 poor 9 87 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 98 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 98 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 6 90 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 6 90 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 6 87 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 6 87 - 7 - HE3 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 87 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 87 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 78 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 78 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 78 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 78 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 87 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 87 - 1 - Peak 3125 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1043=3...(17) HE2 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1043=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) * HE3 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=1 HE3 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=1 HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE3 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 73 - HD3 LYS 75 OK 11 99 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 11 99 - 11 - HE3 LYS 73 - HD2 LYS 75 OK 11 99 - 11 - HE3 LYS 73 - HD3 LYS 75 OK 11 99 - 11 - HE2 LYS 39 - HD2 LYS 75 poor 9 89 - 11 - HE2 LYS 39 - HD3 LYS 75 poor 9 89 - 11 - HE3 LYS 39 - HD3 LYS 75 poor 9 85 - 11 - HE3 LYS 39 - HD2 LYS 75 poor 9 85 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 6 89 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 6 89 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 6 85 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 6 85 - 7 - HE3 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 85 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 85 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 81 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 81 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 81 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 81 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 85 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 85 - 1 - Peak 3127 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 3.78 A): 6 out of 44 assignments used, quality = 1.00: HA LYS 75 + HD2 LYS 75 OK 79 100 - 79 - 4.7=53, 3072/1.8=9...(19) * HA LYS 75 + HD3 LYS 75 OK 79 100 - 79 - 4.7=53, 3072/1.8=9...(19) HA LYS 75 + HD2 LYS 13 OK 47 100 - 48 - 3073=7, 3073/1.8=5...(20) HA LYS 75 + HD3 LYS 13 OK 47 100 - 48 - 3073=7, 3072/1.8=5...(20) HA LYS 39 + HD2 LYS 75 OK 47 99 - 48 - 1834/3.5=6, 1837/2.9=6...(18) HA LYS 39 + HD3 LYS 75 OK 47 99 - 48 - 1834/3.5=6, 1837/2.9=6...(18) HA LYS 39 - HD2 LYS 13 OK 27 99 - 27 - 1837/2.9=2, 1835/3.5=2...(7) HA LYS 39 - HD3 LYS 13 OK 27 99 - 27 - 1837/2.9=2, 1835/3.5=2...(7) HA LYS 85 - HD2 LYS 75 OK 20 92 - 22 - 3427/2.9=2, 3427/2.9=2...(5) HA LYS 85 - HD3 LYS 75 OK 20 92 - 22 - 3427/2.9=2, 3427/2.9=2...(5) HA LYS 85 - HD2 LYS 13 OK 18 92 - 19 - 3428/2.9=2, ~3448=1...(4) HA LYS 85 - HD3 LYS 13 OK 18 92 - 19 - 3428/2.9=2, ~3448=1...(4) HA ALA 12 - HD3 LYS 13 OK 11 93 - 12 - 3704/6.1=10 HA ALA 12 - HD2 LYS 13 OK 11 93 - 12 - 3704/6.1=10 HA LYS 83 - HD3 LYS 75 lone 10 100 - 10 - HA LYS 83 - HD2 LYS 75 lone 10 100 - 10 - HA LYS 83 - HD2 LYS 13 lone 6 100 - 6 - HA LYS 83 - HD3 LYS 13 lone 6 100 - 6 - HA ALA 77 - HD3 LYS 75 lone 6 97 - 6 - HA ALA 77 - HD2 LYS 75 lone 6 97 - 6 - HA LEU 64 - HD2 LYS 13 lone 4 90 - 4 - HA LEU 64 - HD3 LYS 13 lone 4 90 - 4 - HA LEU 64 - HD2 LYS 75 lone 4 90 - 4 - HA LEU 64 - HD3 LYS 75 lone 4 90 - 4 - HA ALA 20 - HD2 LYS 75 lone 3 89 - 3 - HA ALA 20 - HD3 LYS 75 lone 3 89 - 3 - HA ALA 12 - HD3 LYS 75 lone 2 93 - 3 - 3.6/469=1 HA ALA 12 - HD2 LYS 75 lone 2 93 - 3 - 3.6/469=1 HA GLU 19 - HD3 LYS 75 lone 1 95 - 2 - HA GLU 19 - HD2 LYS 75 lone 1 95 - 2 - HA THR 15 - HD3 LYS 75 lone 1 100 - 1 - HA THR 15 - HD2 LYS 75 lone 1 100 - 1 - HB THR 37 - HD3 LYS 75 lone 1 81 - 2 - HB THR 37 - HD2 LYS 75 lone 1 81 - 2 - HA ALA 77 - HD3 LYS 13 lone 1 97 - 1 - HA ALA 77 - HD2 LYS 13 lone 1 97 - 1 - HA THR 15 - HD3 LYS 13 lone 1 100 - 1 - HA THR 15 - HD2 LYS 13 lone 1 100 - 1 - HA GLU 19 - HD3 LYS 13 lone 1 94 - 1 - HA GLU 19 - HD2 LYS 13 lone 1 94 - 1 - HA ALA 20 - HD3 LYS 13 lone 1 89 - 1 - HA ALA 20 - HD2 LYS 13 lone 1 89 - 1 - HB THR 37 - HD3 LYS 13 lone 1 81 - 1 - HB THR 37 - HD2 LYS 13 lone 1 81 - 1 - Peak 3128 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.30 A): 2 out of 44 assignments used, quality = 0.99: HB2 LYS 75 + HD2 LYS 75 OK 90 100 - 90 - 3.5=83, 3.0/3073=6...(18) * HB2 LYS 75 + HD3 LYS 75 OK 90 100 - 90 - 3.5=83, 3.0/3073=6...(18) HB2 LYS 75 - HD2 LYS 13 OK 43 100 - 43 - 3.0/3072=3, 3082=2...(13) HB2 LYS 75 - HD3 LYS 13 OK 43 100 - 43 - 3.0/3072=3, 3082=2...(13) HB2 LYS 39 - HD3 LYS 75 OK 42 96 - 44 - 3068/4.7=3, 1847/2.9=2...(14) HB2 LYS 39 - HD2 LYS 75 OK 42 96 - 44 - 3068/4.7=3, 1847/2.9=2...(14) HB2 LYS 73 - HD3 LYS 75 OK 31 83 - 38 - 3068/4.7=2, 3.0/1480=1...(9) HB2 LYS 73 - HD2 LYS 75 OK 31 83 - 38 - 3068/4.7=2, 3.0/1480=1...(9) HB2 LYS 39 - HD2 LYS 13 OK 28 96 - 29 - ~1021=1, 3083=1...(5) HB2 LYS 39 - HD3 LYS 13 OK 28 96 - 29 - ~1021=1, 3082=1...(5) HB2 LYS 73 - HD3 LYS 13 OK 24 83 - 29 - 2972/2.9=1, ~1021=1...(5) HB2 LYS 73 - HD2 LYS 13 OK 24 83 - 29 - 2972/2.9=1, ~1021=1...(5) HB ILE 89 - HD3 LYS 13 OK 14 85 - 17 - 3609/2.9=2, 3609/2.9=2...(5) HB ILE 89 - HD2 LYS 13 OK 14 85 - 17 - 3609/2.9=2, 3609/2.9=2...(5) HB2 ARG 23 - HD2 LYS 75 lone 8 100 - 8 - HB2 ARG 23 - HD3 LYS 75 lone 8 100 - 8 - HB3 ARG 23 - HD3 LYS 75 lone 8 100 - 8 - HB3 ARG 23 - HD2 LYS 75 lone 8 100 - 8 - HB ILE 89 - HD3 LYS 75 lone 5 85 - 6 - HB ILE 89 - HD2 LYS 75 lone 5 85 - 6 - HB2 ARG 23 - HD3 LYS 13 lone 5 100 - 5 - HB2 ARG 23 - HD2 LYS 13 lone 5 100 - 5 - HB3 ARG 23 - HD3 LYS 13 lone 5 100 - 5 - HB3 ARG 23 - HD2 LYS 13 lone 5 100 - 5 - HB2 ARG 71 - HD2 LYS 75 lone 5 97 - 5 - HB2 ARG 71 - HD3 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HD2 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HD3 LYS 75 lone 5 97 - 5 - HB2 ARG 27 - HD3 LYS 75 lone 3 97 - 3 - HB2 ARG 27 - HD2 LYS 75 lone 3 97 - 3 - HB3 ARG 27 - HD3 LYS 75 lone 3 97 - 3 - HB3 ARG 27 - HD2 LYS 75 lone 3 97 - 3 - HB2 ARG 27 - HD3 LYS 13 lone 2 97 - 2 - HB2 ARG 27 - HD2 LYS 13 lone 2 97 - 2 - HB3 ARG 27 - HD2 LYS 13 lone 2 97 - 2 - HB3 ARG 27 - HD3 LYS 13 lone 2 97 - 2 - HB2 ARG 71 - HD3 LYS 13 lone 1 97 - 1 - HB2 ARG 71 - HD2 LYS 13 lone 1 97 - 1 - HB3 ARG 71 - HD3 LYS 13 lone 1 97 - 1 - HB3 ARG 71 - HD2 LYS 13 lone 1 97 - 1 - HB2 ARG 17 - HD2 LYS 75 lone 1 100 - 1 - HB2 ARG 17 - HD3 LYS 75 lone 1 100 - 1 - HB2 ARG 17 - HD3 LYS 13 lone 1 100 - 1 - HB2 ARG 17 - HD2 LYS 13 lone 1 100 - 1 - Peak 3129 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.52 A): 8 out of 64 assignments used, quality = 1.00: * HB3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 - 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 - 100 - 3.5=100 HB3 LYS 75 + HD2 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3072=4...(18) HB3 LYS 75 + HD3 LYS 13 OK 46 100 - 47 - 1021/2.9=4, 3.0/3072=4...(18) HB3 LYS 39 + HD2 LYS 75 OK 45 100 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 39 + HD3 LYS 75 OK 45 100 - 46 - 1.8/3118=3, 3069/4.7=2...(26) HB3 LYS 73 - HD2 LYS 75 OK 38 97 - 40 - 1.8/3128=2, 3069/4.7=2...(13) HB3 LYS 73 - HD3 LYS 75 OK 38 97 - 40 - 1.8/3128=2, 3069/4.7=2...(13) HB2 LYS 13 - HD2 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1054=2...(18) HB2 LYS 13 - HD3 LYS 75 OK 37 100 - 38 - 3.0/1025=3, 3.0/1044=2...(18) HB3 LYS 73 - HD3 LYS 13 OK 31 97 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 73 - HD2 LYS 13 OK 31 97 - 32 - 1021/2.9=2, 1011/3.5=2...(7) HB3 LYS 39 - HD3 LYS 13 OK 31 100 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB3 LYS 39 - HD2 LYS 13 OK 31 100 - 31 - 1021/2.9=3, 1011/3.5=2...(9) HB2 LYS 85 - HD3 LYS 13 OK 22 92 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD2 LYS 13 OK 22 92 - 24 - 1021/2.9=2, 1011/3.5=2...(4) HB2 LYS 85 - HD3 LYS 75 OK 21 92 - 23 - 3069/4.7=1, ~3447=1 HB2 LYS 85 - HD2 LYS 75 OK 21 92 - 23 - 3069/4.7=1, ~3447=1 HB2 ARG 69 - HD3 LYS 75 OK 15 92 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB2 ARG 69 - HD2 LYS 75 OK 15 92 - 16 - 2795/2.9=3, 2795/2.9=3...(5) HB ILE 33 - HD2 LYS 13 OK 12 85 - 14 - 1021/2.9=2, 1655/2.9=2...(5) HB ILE 33 - HD3 LYS 13 OK 12 85 - 14 - 1021/2.9=2, 1655/2.9=2...(5) HB2 LEU 57 - HD3 LYS 13 OK 11 81 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LEU 57 - HD2 LYS 13 OK 11 81 - 14 - 3.1/4985=2, ~4985=1...(4) HB2 LYS 32 - HD2 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD2 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD3 LYS 75 OK 10 93 - 11 - HB2 LYS 32 - HD3 LYS 75 OK 10 93 - 11 - HB3 LYS 32 - HD3 LYS 13 poor 10 93 - 10 - HB2 LYS 32 - HD2 LYS 13 poor 10 93 - 10 - HB2 LYS 32 - HD3 LYS 13 poor 10 93 - 10 - HB3 LYS 32 - HD2 LYS 13 poor 10 93 - 10 - HB2 ARG 69 - HD2 LYS 13 lone 8 92 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 ARG 69 - HD3 LYS 13 lone 8 92 - 9 - 1011/3.5=1, 1021/2.9=1 HB2 LYS 83 - HD3 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD2 LYS 75 lone 7 99 - 7 - HB2 LYS 83 - HD3 LYS 13 lone 6 99 - 6 - HB2 LYS 83 - HD2 LYS 13 lone 6 99 - 6 - HB2 LEU 57 - HD3 LYS 75 lone 6 81 - 7 - 3.1/4985=1 HB2 LEU 57 - HD2 LYS 75 lone 6 81 - 7 - 3.1/4985=1 HB2 PRO 34 - HD2 LYS 13 lone 3 99 - 3 - HB2 PRO 34 - HD3 LYS 13 lone 3 99 - 3 - HB3 ARG 84 - HD3 LYS 75 lone 3 92 - 3 - HB3 ARG 84 - HD2 LYS 75 lone 3 92 - 3 - HB3 ARG 84 - HD3 LYS 13 lone 3 92 - 3 - HB3 ARG 84 - HD2 LYS 13 lone 3 92 - 3 - HB ILE 33 - HD3 LYS 75 lone 3 85 - 3 - HB ILE 33 - HD2 LYS 75 lone 3 85 - 3 - HB2 PRO 34 - HD2 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HD3 LYS 75 lone 3 99 - 3 - HB3 ARG 82 - HD2 LYS 13 lone 2 78 - 3 - HB3 ARG 82 - HD3 LYS 13 lone 2 78 - 3 - HB2 ARG 54 - HD3 LYS 75 lone 2 78 - 3 - HB2 ARG 54 - HD2 LYS 75 lone 2 78 - 3 - HG2 PRO 34 - HD3 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HD2 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HD3 LYS 13 lone 1 63 - 2 - HG2 PRO 34 - HD2 LYS 13 lone 1 63 - 2 - HB3 ARG 82 - HD2 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HD3 LYS 75 lone 1 78 - 2 - HB2 ARG 54 - HD3 LYS 13 lone 1 78 - 2 - HB2 ARG 54 - HD2 LYS 13 lone 1 78 - 2 - Peak 3130 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.59 A): 8 out of 48 assignments used, quality = 1.00: * HG2 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3113=3...(19) HG2 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3103=3...(19) HG3 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 73 - HD2 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 73 - HD3 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 39 - HD2 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 39 - HD3 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 73 - HD2 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 73 - HD3 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 39 - HD3 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG3 LYS 39 - HD2 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG2 LYS 85 - HD2 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD3 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD2 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HG2 LYS 85 - HD3 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HB3 ARG 69 - HD3 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HB3 ARG 69 - HD2 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HG3 ARG 69 - HD3 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HG3 ARG 69 - HD2 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HB3 ARG 69 - HD2 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HB3 ARG 69 - HD3 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HG3 ARG 69 - HD2 LYS 13 lone 6 94 - 6 - 2818/3.5=1 HG3 ARG 69 - HD3 LYS 13 lone 6 94 - 6 - 2818/3.5=1 QB ALA 77 - HD3 LYS 75 lone 5 93 - 6 - QB ALA 77 - HD2 LYS 75 lone 5 93 - 6 - HG2 LYS 83 - HD2 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD3 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD2 LYS 13 lone 3 81 - 4 - HG2 LYS 83 - HD3 LYS 13 lone 3 81 - 4 - QB ALA 78 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 20 - HD3 LYS 75 lone 2 96 - 2 - QB ALA 20 - HD2 LYS 75 lone 2 96 - 2 - QB ALA 53 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 53 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 77 - HD3 LYS 13 lone 1 93 - 1 - QB ALA 77 - HD2 LYS 13 lone 1 93 - 1 - QB ALA 20 - HD2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HD3 LYS 13 lone 1 96 - 1 - Peak 3131 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.59 A): 8 out of 48 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 - 100 - 2.9=100 * HG3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3113=3...(19) HG2 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3103=3...(19) HG3 LYS 75 + HD2 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 75 + HD3 LYS 13 OK 54 100 - 54 - 3.9/3073=3, 3112=3...(19) HG3 LYS 73 - HD2 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 73 - HD3 LYS 75 OK 42 100 - 43 - 1.8/1036=2, 3070/4.7=2...(13) HG3 LYS 39 - HD2 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 39 - HD3 LYS 75 OK 42 92 - 46 - 1874/3.5=4, ~1867=3...(20) HG3 LYS 73 - HD2 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 73 - HD3 LYS 13 OK 31 100 - 31 - 1.8/1035=1, 2.9/3128=1...(4) HG3 LYS 39 - HD3 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG3 LYS 39 - HD2 LYS 13 OK 27 92 - 29 - 1881/2.9=2, 1881/2.9=2...(8) HG2 LYS 85 - HD2 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD3 LYS 75 OK 21 96 - 22 - 1.8/1035=1, 3071/4.7=1 HG2 LYS 85 - HD2 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HG2 LYS 85 - HD3 LYS 13 OK 21 96 - 22 - 1.8/1035=1, ~1024=1, ~3448=1 HB3 ARG 69 - HD3 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HB3 ARG 69 - HD2 LYS 75 OK 18 100 - 18 - 2802/3.5=3, ~2795=2...(6) HG3 ARG 69 - HD3 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HG3 ARG 69 - HD2 LYS 75 OK 14 95 - 15 - 2818/3.5=2, ~2811=1...(6) HB3 ARG 69 - HD2 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HB3 ARG 69 - HD3 LYS 13 lone 8 100 - 8 - 2802/3.5=2 HG3 ARG 69 - HD2 LYS 13 lone 6 94 - 6 - 2818/3.5=1 HG3 ARG 69 - HD3 LYS 13 lone 6 94 - 6 - 2818/3.5=1 QB ALA 77 - HD3 LYS 75 lone 5 93 - 6 - QB ALA 77 - HD2 LYS 75 lone 5 93 - 6 - HG2 LYS 83 - HD2 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD3 LYS 75 lone 4 81 - 5 - HG2 LYS 83 - HD2 LYS 13 lone 3 81 - 4 - HG2 LYS 83 - HD3 LYS 13 lone 3 81 - 4 - QB ALA 78 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD3 LYS 75 lone 3 100 - 3 - QB ALA 53 - HD2 LYS 75 lone 3 100 - 3 - QB ALA 20 - HD3 LYS 75 lone 2 96 - 2 - QB ALA 20 - HD2 LYS 75 lone 2 96 - 2 - QB ALA 53 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 53 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD2 LYS 13 lone 1 100 - 1 - QB ALA 78 - HD3 LYS 13 lone 1 100 - 1 - QB ALA 77 - HD3 LYS 13 lone 1 93 - 1 - QB ALA 77 - HD2 LYS 13 lone 1 93 - 1 - QB ALA 20 - HD2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HD3 LYS 13 lone 1 96 - 1 - Peak 3132 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Reference assignment not found: HD2 LYS 75 - HD3 LYS 75 Peak 3133 from cnoeabs.peaks (1.66, 1.66, 28.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 100 100 - 100 * HD3 LYS 75 + HD3 LYS 75 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 Peak 3134 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 87 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 87 100 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) * HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3152=3...(17) HE3 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 13 - HD3 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE3 LYS 13 - HD2 LYS 75 OK 12 100 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1025=1 HE2 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1025=1 HE2 LYS 73 - HD3 LYS 75 OK 10 99 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 10 99 - 11 - HE3 LYS 73 - HD2 LYS 75 OK 10 98 - 11 - HE3 LYS 73 - HD3 LYS 75 OK 10 98 - 11 - HE2 LYS 39 - HD2 LYS 75 poor 10 90 - 11 - HE2 LYS 39 - HD3 LYS 75 poor 10 90 - 11 - HE3 LYS 39 - HD3 LYS 75 poor 9 87 - 11 - HE3 LYS 39 - HD2 LYS 75 poor 9 87 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 98 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 98 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 6 90 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 6 90 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 6 87 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 6 87 - 7 - HE3 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 87 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 87 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 78 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 78 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 78 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 78 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 87 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 87 - 1 - Peak 3135 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.75 A): 8 out of 48 assignments used, quality = 1.00: HE3 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1043=3...(17) HE2 LYS 13 + HD3 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1043=3...(17) HE2 LYS 13 + HD2 LYS 13 OK 87 99 - 88 - 2.9=82, 3.8/1053=3...(17) HE3 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) * HE3 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 + HD3 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE2 LYS 75 + HD2 LYS 75 OK 86 100 - 86 - 2.9=82, 1.8/3153=3...(17) HE3 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=1 HE3 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=1 HE2 LYS 75 - HD2 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE2 LYS 75 - HD3 LYS 13 OK 22 100 - 22 - 1028/2.9=2 HE3 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE3 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 13 - HD3 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 13 - HD2 LYS 75 OK 12 99 - 12 - 3.8/1026=1 HE2 LYS 73 - HD3 LYS 75 OK 11 99 - 11 - HE2 LYS 73 - HD2 LYS 75 OK 11 99 - 11 - HE3 LYS 73 - HD2 LYS 75 OK 11 99 - 11 - HE3 LYS 73 - HD3 LYS 75 OK 11 99 - 11 - HE2 LYS 39 - HD2 LYS 75 poor 9 89 - 11 - HE2 LYS 39 - HD3 LYS 75 poor 9 89 - 11 - HE3 LYS 39 - HD3 LYS 75 poor 9 85 - 11 - HE3 LYS 39 - HD2 LYS 75 poor 9 85 - 11 - HE2 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE2 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD2 LYS 13 lone 8 99 - 8 - HE3 LYS 73 - HD3 LYS 13 lone 8 99 - 8 - HE2 LYS 39 - HD2 LYS 13 lone 6 89 - 7 - HE2 LYS 39 - HD3 LYS 13 lone 6 89 - 7 - HE3 LYS 39 - HD2 LYS 13 lone 6 85 - 7 - HE3 LYS 39 - HD3 LYS 13 lone 6 85 - 7 - HE3 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD3 LYS 75 lone 5 99 - 5 - HE2 LYS 32 - HD2 LYS 75 lone 5 99 - 5 - HE3 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HE3 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD3 LYS 13 lone 4 99 - 4 - HE2 LYS 32 - HD2 LYS 13 lone 4 99 - 4 - HB3 TYR 81 - HD3 LYS 75 lone 1 85 - 1 - HB3 TYR 81 - HD2 LYS 75 lone 1 85 - 1 - HB3 TYR 55 - HD2 LYS 75 lone 1 81 - 1 - HB3 TYR 55 - HD3 LYS 75 lone 1 81 - 1 - HB3 TYR 55 - HD2 LYS 13 lone 1 81 - 1 - HB3 TYR 55 - HD3 LYS 13 lone 1 81 - 1 - HB3 TYR 81 - HD2 LYS 13 lone 1 85 - 1 - HB3 TYR 81 - HD3 LYS 13 lone 1 85 - 1 - Peak 3137 from cnoeabs.peaks (4.24, 2.96, 41.78 ppm; 4.48 A): 6 out of 110 assignments used, quality = 1.00: HA LYS 75 + HE3 LYS 75 OK 77 100 - 77 - 6.4=34, 3073/2.9=10...(33) * HA LYS 75 + HE2 LYS 75 OK 77 100 - 77 - 6.4=34, 3073/2.9=10...(33) HA LYS 39 + HE2 LYS 39 OK 68 89 - 77 - 6.2=39, 1836/3.6=12...(20) HA LYS 39 + HE3 LYS 39 OK 65 85 - 77 - 6.2=39, 1836/3.6=12...(20) HA LYS 39 + HE2 LYS 75 OK 59 99 - 60 - 1837/3.5=7, 1837/3.5=7...(24) HA LYS 39 + HE3 LYS 75 OK 59 99 - 60 - 1837/3.5=7, 1837/3.5=7...(24) HA LYS 75 - HE3 LYS 13 OK 45 98 - 46 - 3073/2.9=5, 3073/2.9=5...(14) HA LYS 75 - HE2 LYS 13 OK 44 97 - 46 - 3073/2.9=5, 3073/2.9=5...(14) HA LYS 75 - HE2 LYS 39 OK 43 90 - 48 - 1873/3.6=7, 1863/3.6=7...(16) HA LYS 75 - HE3 LYS 39 OK 42 87 - 49 - 1873/3.6=7, 1863/3.6=7...(16) HA LYS 75 - HE2 LYS 73 OK 38 99 - 39 - 3068/4.7=4, 3070/3.7=4...(9) HA LYS 75 - HE3 LYS 73 OK 38 98 - 39 - 3068/4.7=4, 3070/3.7=4...(9) HA LYS 39 - HE3 LYS 13 OK 32 96 - 34 - 1837/3.8=2, 4.1/1870=2...(10) HA LYS 39 - HE2 LYS 13 OK 32 96 - 34 - 1837/3.8=2, 4.1/1870=2...(10) HA LYS 39 - HE2 LYS 73 OK 31 97 - 32 - 1837/3.7=3, 1838/3.0=2...(9) HA LYS 39 - HE3 LYS 73 OK 31 97 - 32 - 1837/3.7=3, 1838/3.0=2...(9) HA LYS 85 - HE2 LYS 75 OK 26 92 - 28 - 3427/3.5=2, 3427/3.5=2...(9) HA LYS 85 - HE3 LYS 75 OK 26 92 - 28 - 3427/3.5=2, 3427/3.5=2...(9) HA LYS 39 - HE3 LYS 32 OK 23 98 - 24 - 1838/3.0=1, 1838/3.0=1...(8) HA LYS 39 - HE2 LYS 32 OK 23 97 - 24 - 1838/3.0=1, 1838/3.0=1...(8) HA LYS 75 - HE3 LYS 32 OK 20 99 - 19 - 3075=1, 3075/1.8=1 HA LYS 75 - HE2 LYS 32 OK 19 99 - 19 - 3075=1, 3075/1.8=1 HA LEU 64 - HE2 LYS 39 OK 19 77 - 25 - 2616/3.6=6, 1873/3.6=6...(8) HA LEU 64 - HE3 LYS 39 OK 18 73 - 25 - 2616/3.6=6, 1873/3.6=6...(8) HA LYS 85 - HE2 LYS 73 OK 17 89 - 19 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 85 - HE3 LYS 73 OK 17 88 - 19 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 85 - HE3 LYS 13 OK 14 87 - 16 - 3428/3.8=2, 3117/2.9=1...(4) HA ALA 12 - HE3 LYS 13 OK 14 89 - 16 - 3704/6.7=13 HA LYS 85 - HE2 LYS 13 OK 14 87 - 16 - 3428/3.8=2, 3117/2.9=1...(4) HA ALA 12 - HE2 LYS 13 OK 14 88 - 16 - 3704/6.7=13 HA LYS 83 - HE3 LYS 75 OK 13 100 - 13 - 6143/3.5=1, 6143/3.5=1, ~5897=1 HA LYS 83 - HE2 LYS 75 OK 13 100 - 13 - 6143/3.5=1, 6143/3.5=1, ~5897=1 HA LYS 83 - HE2 LYS 73 lone 9 99 - 9 - ~5896=2 HA LYS 83 - HE3 LYS 73 lone 9 98 - 9 - ~5896=2 HA LYS 83 - HE2 LYS 39 lone 9 90 - 10 - 1873/3.6=2, 1863/3.6=2, ~5896=1 HA LYS 83 - HE3 LYS 39 lone 9 87 - 10 - 1873/3.6=2, 1863/3.6=2, ~5896=1 HA ALA 77 - HE2 LYS 75 lone 7 97 - 8 - HA ALA 77 - HE3 LYS 75 lone 7 97 - 8 - HA LYS 85 - HE2 LYS 39 lone 7 78 - 9 - 1863/3.6=1, 1873/3.6=1 HA LYS 85 - HE3 LYS 39 lone 7 75 - 9 - 1863/3.6=1, 1873/3.6=1 HA LYS 83 - HE3 LYS 13 lone 6 98 - 6 - HA LYS 83 - HE2 LYS 13 lone 6 97 - 6 - HA LYS 85 - HE3 LYS 32 lone 5 89 - 5 - HA LYS 85 - HE2 LYS 32 lone 5 89 - 5 - HA LEU 64 - HE2 LYS 75 lone 5 90 - 5 - HA LEU 64 - HE3 LYS 75 lone 5 90 - 5 - HA LEU 64 - HE3 LYS 13 lone 4 86 - 5 - HA LEU 64 - HE2 LYS 13 lone 4 85 - 5 - HA LYS 83 - HE3 LYS 32 lone 4 99 - 4 - HA LYS 83 - HE2 LYS 32 lone 4 99 - 4 - HA LEU 64 - HE3 LYS 32 lone 3 88 - 4 - 4693/7.0=1 HA LEU 64 - HE2 LYS 32 lone 3 87 - 4 - 4693/7.0=1 HA ALA 20 - HE2 LYS 75 lone 3 89 - 4 - HA ALA 20 - HE3 LYS 75 lone 3 89 - 4 - HB THR 37 - HE2 LYS 39 lone 3 67 - 5 - HA LEU 64 - HE2 LYS 73 lone 3 87 - 3 - HA ALA 77 - HE2 LYS 73 lone 3 94 - 3 - HA ALA 77 - HE3 LYS 73 lone 3 93 - 3 - HA LEU 64 - HE3 LYS 73 lone 3 86 - 3 - HB THR 37 - HE3 LYS 39 lone 3 64 - 5 - HA ALA 77 - HE2 LYS 39 lone 3 84 - 3 - HA ALA 20 - HE2 LYS 39 lone 3 75 - 3 - HA ALA 77 - HE3 LYS 39 lone 3 80 - 3 - HA ALA 20 - HE3 LYS 39 lone 3 71 - 3 - HA GLU 19 - HE2 LYS 39 lone 2 81 - 3 - HA THR 15 - HE2 LYS 39 lone 2 90 - 3 - HA THR 15 - HE2 LYS 73 lone 2 99 - 2 - HA THR 15 - HE3 LYS 73 lone 2 98 - 2 - HA ALA 12 - HE3 LYS 32 lone 2 91 - 2 - HA ALA 12 - HE2 LYS 32 lone 2 90 - 2 - HA GLU 19 - HE3 LYS 39 lone 2 78 - 3 - HA THR 15 - HE3 LYS 39 lone 2 87 - 3 - HA ALA 12 - HE2 LYS 39 lone 2 80 - 3 - HA GLU 19 - HE2 LYS 75 lone 2 95 - 2 - HA GLU 19 - HE3 LYS 75 lone 2 94 - 2 - HA ALA 12 - HE3 LYS 39 lone 2 76 - 3 - HA THR 15 - HE2 LYS 75 lone 2 100 - 2 - HA THR 15 - HE3 LYS 75 lone 2 100 - 2 - HA ALA 12 - HE2 LYS 75 lone 2 93 - 2 - HA ALA 12 - HE3 LYS 75 lone 2 93 - 2 - HA ALA 77 - HE3 LYS 13 lone 2 92 - 2 - HA ALA 77 - HE2 LYS 13 lone 2 92 - 2 - HB THR 37 - HE2 LYS 75 lone 2 81 - 2 - HB THR 37 - HE3 LYS 75 lone 2 81 - 2 - HA ALA 20 - HE2 LYS 73 lone 2 85 - 2 - HA ALA 20 - HE3 LYS 73 lone 2 84 - 2 - HB THR 37 - HE2 LYS 73 lone 2 77 - 2 - HB THR 37 - HE3 LYS 73 lone 2 76 - 2 - HA THR 15 - HE3 LYS 13 lone 2 98 - 2 - HA THR 15 - HE2 LYS 13 lone 2 97 - 2 - HA GLU 19 - HE2 LYS 73 lone 2 91 - 2 - HA ALA 12 - HE2 LYS 73 lone 2 90 - 2 - HA GLU 19 - HE3 LYS 73 lone 2 91 - 2 - HA ALA 12 - HE3 LYS 73 lone 2 89 - 2 - HA ALA 77 - HE3 LYS 32 lone 2 94 - 2 - HA ALA 77 - HE2 LYS 32 lone 1 94 - 2 - HA GLU 19 - HE3 LYS 13 lone 1 90 - 2 - HA GLU 19 - HE2 LYS 13 lone 1 89 - 2 - HA ALA 20 - HE3 LYS 13 lone 1 84 - 2 - HA ALA 20 - HE2 LYS 13 lone 1 83 - 2 - HA THR 15 - HE3 LYS 32 lone 1 99 - 1 - HA THR 15 - HE2 LYS 32 lone 1 99 - 1 - HA GLU 19 - HE3 LYS 32 lone 1 92 - 1 - HA GLU 19 - HE2 LYS 32 lone 1 91 - 1 - HA ALA 20 - HE3 LYS 32 lone 1 86 - 1 - HA ALA 20 - HE2 LYS 32 lone 1 85 - 1 - HB THR 37 - HE3 LYS 13 lone 1 76 - 2 - HB THR 37 - HE2 LYS 13 lone 1 75 - 2 - HB THR 37 - HE3 LYS 32 lone 1 78 - 1 - HB THR 37 - HE2 LYS 32 lone 1 77 - 1 - Peak 3138 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 3.81 A): 8 out of 110 assignments used, quality = 1.00: HB2 LYS 75 + HE3 LYS 75 OK 72 100 - 72 - 5.0=45, 3128/2.9=5...(32) * HB2 LYS 75 + HE2 LYS 75 OK 72 100 - 72 - 5.0=45, 3128/2.9=5...(32) HB2 LYS 39 + HE2 LYS 39 OK 67 83 - 80 - 4.7=54, 1884/3.0=4...(30) HB2 LYS 39 + HE3 LYS 39 OK 64 79 - 81 - 4.7=54, 1884/3.0=4...(30) HB2 LYS 73 + HE2 LYS 73 OK 58 79 - 73 - 4.7=54, 2.9/3032=3...(19) HB2 LYS 73 + HE3 LYS 73 OK 57 78 - 73 - 4.7=54, 2.9/3032=3...(19) HB2 LYS 39 + HE3 LYS 75 OK 49 96 - 52 - 2.9/1870=3, 2.9/1880=3...(21) HB2 LYS 39 + HE2 LYS 75 OK 49 96 - 52 - 2.9/1870=3, 2.9/1880=3...(21) HB2 LYS 75 - HE3 LYS 13 OK 36 98 - 37 - 3128/2.9=2, 3118/2.9=2...(7) HB2 LYS 75 - HE2 LYS 13 OK 36 97 - 37 - 3128/2.9=2, 3118/2.9=2...(7) HB2 LYS 73 - HE2 LYS 75 OK 34 83 - 42 - 2.9/6146=2, 3108/3.5=2...(13) HB2 LYS 73 - HE3 LYS 75 OK 34 83 - 42 - 2.9/6146=2, 3108/3.5=2...(13) HB2 LYS 75 - HE2 LYS 39 OK 33 90 - 37 - 1864/3.6=5, 1874/3.6=4...(10) HB2 LYS 75 - HE3 LYS 39 OK 32 87 - 37 - 1864/3.6=5, 1874/3.6=4...(10) HB2 LYS 39 - HE3 LYS 13 OK 28 91 - 31 - 2.9/1880=2, 2.9/1870=2...(10) HB2 LYS 39 - HE2 LYS 13 OK 28 91 - 31 - 2.9/1880=2, 2.9/1870=2...(10) HB2 LYS 75 - HE2 LYS 73 OK 27 99 - 27 - 2972/3.7=2, 3.0/3075=1...(6) HB2 LYS 75 - HE3 LYS 73 OK 26 98 - 27 - 2972/3.7=2, 3.0/3075=1...(6) HB2 LYS 39 - HE2 LYS 73 OK 24 93 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 39 - HE3 LYS 73 OK 24 92 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 73 - HE3 LYS 32 OK 24 80 - 30 - 2.9/6146=1, 2975/3.0=1...(4) HB2 LYS 73 - HE2 LYS 32 OK 24 79 - 31 - 2.9/6146=1, 2975/3.0=1...(4) HB2 LYS 39 - HE3 LYS 32 OK 20 93 - 22 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 39 - HE2 LYS 32 OK 20 93 - 22 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 73 - HE3 LYS 13 OK 20 78 - 26 - 2972/3.8=1, 3128/2.9=1...(4) HB2 LYS 73 - HE2 LYS 13 OK 20 77 - 26 - 2972/3.8=1, 3128/2.9=1...(4) HB2 LYS 75 - HE3 LYS 32 OK 14 99 - 14 - HB2 LYS 75 - HE2 LYS 32 OK 14 99 - 14 - HB2 LYS 73 - HE2 LYS 39 OK 11 69 - 16 - HB2 LYS 73 - HE3 LYS 39 OK 11 66 - 16 - HB ILE 89 - HE3 LYS 13 poor 9 80 - 11 - 3609/3.8=2, 3609/3.8=2, ~5329=1 HB ILE 89 - HE2 LYS 13 poor 9 79 - 11 - 3609/3.8=2, 3609/3.8=2, ~5329=1 HB2 ARG 71 - HE3 LYS 32 lone 9 95 - 9 - HB ILE 89 - HE2 LYS 73 poor 9 81 - 11 - 3605/6.1=2, 2990/3.7=1 HB2 ARG 71 - HE2 LYS 32 lone 9 95 - 9 - HB3 ARG 71 - HE3 LYS 32 lone 9 94 - 9 - HB ILE 89 - HE3 LYS 73 poor 9 81 - 11 - 3605/6.1=2, 2990/3.7=1 HB3 ARG 71 - HE2 LYS 32 lone 9 94 - 9 - HB2 ARG 23 - HE2 LYS 39 lone 9 90 - 10 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE2 LYS 39 lone 9 89 - 10 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE3 LYS 39 lone 8 86 - 10 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE3 LYS 39 lone 8 86 - 10 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 71 - HE2 LYS 73 lone 7 95 - 7 - HB2 ARG 71 - HE3 LYS 73 lone 7 94 - 7 - HB3 ARG 71 - HE2 LYS 73 lone 7 94 - 7 - HB3 ARG 71 - HE3 LYS 73 lone 7 93 - 7 - HB2 ARG 23 - HE2 LYS 75 lone 6 100 - 6 - HB2 ARG 23 - HE3 LYS 75 lone 6 100 - 6 - HB3 ARG 23 - HE2 LYS 75 lone 6 100 - 6 - HB3 ARG 23 - HE3 LYS 75 lone 6 100 - 6 - HB ILE 89 - HE2 LYS 75 lone 6 85 - 7 - HB ILE 89 - HE3 LYS 75 lone 6 85 - 7 - HB2 ARG 71 - HE2 LYS 75 lone 5 97 - 5 - HB2 ARG 71 - HE3 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HE2 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HE3 LYS 75 lone 5 97 - 5 - HB2 ARG 17 - HE2 LYS 73 lone 4 98 - 3 - HB2 ARG 17 - HE3 LYS 73 lone 3 98 - 3 - HB2 ARG 71 - HE2 LYS 39 lone 3 85 - 4 - HB3 ARG 71 - HE2 LYS 39 lone 3 84 - 4 - HB2 ARG 71 - HE3 LYS 39 lone 3 82 - 4 - HB3 ARG 71 - HE3 LYS 39 lone 3 80 - 4 - HB2 ARG 23 - HE3 LYS 13 lone 3 97 - 3 - HB2 ARG 23 - HE2 LYS 13 lone 3 97 - 3 - HB3 ARG 23 - HE3 LYS 13 lone 3 97 - 3 - HB3 ARG 23 - HE2 LYS 13 lone 3 96 - 3 - HB2 ARG 17 - HE3 LYS 32 lone 3 99 - 3 - HB2 ARG 17 - HE2 LYS 32 lone 3 98 - 3 - HB2 ARG 17 - HE2 LYS 39 lone 3 90 - 3 - HB ILE 89 - HE2 LYS 39 lone 3 71 - 4 - HB2 ARG 27 - HE2 LYS 39 lone 3 85 - 3 - HB3 ARG 27 - HE2 LYS 39 lone 3 84 - 3 - HB2 ARG 17 - HE3 LYS 39 lone 3 86 - 3 - HB2 ARG 27 - HE3 LYS 39 lone 2 82 - 3 - HB ILE 89 - HE3 LYS 39 lone 2 68 - 4 - HB3 ARG 27 - HE3 LYS 39 lone 2 80 - 3 - HB2 ARG 27 - HE3 LYS 32 lone 2 95 - 2 - HB2 ARG 27 - HE2 LYS 75 lone 2 97 - 2 - HB2 ARG 27 - HE2 LYS 32 lone 2 95 - 2 - HB2 ARG 27 - HE3 LYS 75 lone 2 97 - 2 - HB3 ARG 27 - HE3 LYS 32 lone 2 94 - 2 - HB3 ARG 27 - HE2 LYS 75 lone 2 97 - 2 - HB3 ARG 27 - HE2 LYS 32 lone 2 94 - 2 - HB3 ARG 27 - HE3 LYS 75 lone 2 97 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 2 98 - 2 - HB3 ARG 23 - HE2 LYS 73 lone 2 98 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 2 98 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 2 97 - 2 - HB2 ARG 27 - HE2 LYS 73 lone 2 95 - 2 - HB2 ARG 27 - HE3 LYS 73 lone 2 94 - 2 - HB3 ARG 27 - HE2 LYS 73 lone 2 94 - 2 - HB3 ARG 27 - HE3 LYS 73 lone 2 93 - 2 - HB2 ARG 17 - HE2 LYS 75 lone 2 100 - 1 - HB2 ARG 17 - HE3 LYS 75 lone 2 100 - 1 - HB2 ARG 23 - HE3 LYS 32 lone 1 99 - 1 - HB3 ARG 23 - HE3 LYS 32 lone 1 98 - 1 - HB2 ARG 23 - HE2 LYS 32 lone 1 98 - 1 - HB3 ARG 23 - HE2 LYS 32 lone 1 98 - 1 - HB2 ARG 27 - HE3 LYS 13 lone 1 93 - 1 - HB2 ARG 27 - HE2 LYS 13 lone 1 93 - 1 - HB3 ARG 27 - HE3 LYS 13 lone 1 92 - 1 - HB ILE 89 - HE3 LYS 32 lone 1 82 - 2 - HB3 ARG 27 - HE2 LYS 13 lone 1 92 - 1 - HB ILE 89 - HE2 LYS 32 lone 1 81 - 2 - HB2 ARG 71 - HE3 LYS 13 lone 1 93 - 1 - HB2 ARG 71 - HE2 LYS 13 lone 1 93 - 1 - HB3 ARG 71 - HE3 LYS 13 lone 1 92 - 1 - HB3 ARG 71 - HE2 LYS 13 lone 1 92 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 97 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 97 - 1 - Peak 3139 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.48 A): 12 out of 160 assignments used, quality = 1.00: HB3 LYS 32 + HE3 LYS 32 OK 65 91 - 71 - 4.6=44, 2.9/1638=6...(19) HB2 LYS 32 + HE3 LYS 32 OK 65 91 - 71 - 4.6=44, 2.9/1638=6...(19) HB2 LYS 32 + HE2 LYS 32 OK 64 90 - 71 - 4.6=44, 2.9/1638=6...(19) HB3 LYS 32 + HE2 LYS 32 OK 64 90 - 71 - 4.6=44, 2.9/1638=6...(19) HB3 LYS 75 + HE3 LYS 75 OK 61 100 - 61 - 5.0=34, 3092/2.9=3...(30) * HB3 LYS 75 + HE2 LYS 75 OK 61 100 - 61 - 5.0=34, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 59 89 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 57 86 - 67 - 4.7=41, 2.9/1906=3...(25) HB2 LYS 13 + HE3 LYS 13 OK 57 98 - 58 - 5.2=30, 3.0/1073=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 56 97 - 58 - 5.2=30, 3.0/1073=3...(25) HB3 LYS 73 + HE2 LYS 73 OK 55 95 - 58 - 4.7=41, 2.9/3032=3...(14) HB3 LYS 73 + HE3 LYS 73 OK 55 94 - 58 - 4.7=41, 2.9/3032=3...(14) HB3 LYS 39 - HE3 LYS 75 OK 42 100 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 41 100 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB2 LYS 32 - HE2 LYS 73 OK 34 90 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB3 LYS 32 - HE2 LYS 73 OK 34 90 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB3 LYS 32 - HE3 LYS 73 OK 34 89 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB2 LYS 32 - HE3 LYS 73 OK 34 89 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB2 LYS 13 - HE3 LYS 75 OK 33 100 - 33 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 33 100 - 33 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 73 - HE3 LYS 75 OK 33 97 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 73 - HE2 LYS 75 OK 33 97 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 75 - HE3 LYS 13 OK 32 98 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 13 OK 32 97 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 39 OK 27 90 - 30 - 1865/3.6=3, 1875/3.6=3...(9) HB3 LYS 75 - HE3 LYS 39 OK 26 87 - 30 - 1865/3.6=3, 1875/3.6=3...(9) HB3 LYS 39 - HE3 LYS 13 OK 26 97 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 39 - HE2 LYS 13 OK 25 96 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 73 - HE3 LYS 32 OK 24 95 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 73 - HE2 LYS 32 OK 24 95 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 75 - HE2 LYS 73 OK 24 99 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 75 - HE3 LYS 73 OK 23 98 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE2 LYS 73 OK 22 98 - 22 - 2.9/1870=1, 2.9/1880=1 HB3 LYS 39 - HE3 LYS 73 OK 22 97 - 22 - HB3 LYS 73 - HE3 LYS 13 OK 21 93 - 22 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 21 93 - 22 - 1021/3.8=2 HB3 LYS 39 - HE3 LYS 32 OK 18 98 - 18 - HB3 LYS 39 - HE2 LYS 32 OK 18 98 - 18 - HB2 LYS 85 - HE2 LYS 75 OK 17 92 - 19 - HB2 LYS 85 - HE3 LYS 75 OK 17 92 - 19 - HB2 LYS 32 - HE2 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE3 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE3 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 73 - HE2 LYS 39 OK 13 85 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 85 - HE3 LYS 13 OK 13 87 - 15 - 1021/3.8=2, 1011/5.2=1 HB2 PRO 34 - HE3 LYS 32 OK 13 97 - 14 - ~4863=1, 2.3/4863=1...(5) HB2 LYS 85 - HE2 LYS 13 OK 13 87 - 15 - 1021/3.8=2, 1011/5.2=1 HB2 PRO 34 - HE2 LYS 32 OK 13 96 - 14 - 2.3/4863=1, ~4863=1...(5) HB3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HB3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HB3 LYS 73 - HE3 LYS 39 OK 13 82 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 13 80 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 13 80 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 76 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 ARG 69 - HE3 LYS 75 OK 12 92 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 OK 12 92 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE2 LYS 73 OK 12 99 - 12 - HB2 LYS 13 - HE3 LYS 73 OK 12 98 - 12 - HB2 ARG 54 - HE2 LYS 39 OK 11 65 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 13 - HE2 LYS 39 OK 11 90 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 73 OK 11 89 - 13 - HB2 ARG 54 - HE3 LYS 39 OK 11 62 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 85 - HE3 LYS 73 OK 11 88 - 13 - HB2 LYS 13 - HE3 LYS 39 OK 11 87 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 54 - HE3 LYS 32 poor 10 76 - 13 - 1597/3.9=2, 1586/3.9=1 HB2 ARG 54 - HE2 LYS 32 poor 10 75 - 13 - 1597/3.9=2, 1586/3.9=1 HB2 LYS 32 - HE3 LYS 13 lone 9 89 - 10 - HB3 LYS 32 - HE3 LYS 13 lone 9 89 - 10 - HB2 PRO 34 - HE2 LYS 39 poor 9 87 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 LYS 32 - HE2 LYS 13 lone 9 88 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 88 - 10 - HG2 PRO 34 - HE3 LYS 32 poor 8 60 - 14 - ~5567=1, 1.8/5567=1...(5) HG2 PRO 34 - HE2 LYS 32 poor 8 60 - 14 - ~5567=1, 1.8/5567=1...(5) HB2 PRO 34 - HE3 LYS 39 poor 8 83 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE2 LYS 73 lone 8 77 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE3 LYS 73 lone 7 76 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE3 LYS 32 lone 7 78 - 9 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 7 77 - 9 - 3.1/4604=1 HB2 LYS 13 - HE3 LYS 32 lone 7 99 - 6 - HB2 LYS 13 - HE2 LYS 32 lone 7 99 - 6 - HB3 ARG 84 - HE2 LYS 73 lone 6 89 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 6 88 - 7 - HB2 ARG 69 - HE2 LYS 73 lone 6 89 - 7 - 2797/3.7=2 HB2 LYS 83 - HE2 LYS 75 lone 6 99 - 6 - HB2 ARG 69 - HE3 LYS 73 lone 6 88 - 7 - 2797/3.7=2 HB2 LYS 83 - HE3 LYS 75 lone 6 99 - 6 - HB2 LEU 57 - HE3 LYS 13 lone 6 76 - 8 - HB2 LEU 57 - HE2 LYS 13 lone 6 75 - 8 - HB ILE 33 - HE3 LYS 13 lone 5 80 - 7 - 1021/3.8=1, 1655/3.8=1 HB ILE 33 - HE2 LYS 13 lone 5 79 - 7 - 1021/3.8=1, 1655/3.8=1 HB ILE 33 - HE3 LYS 32 lone 5 82 - 7 - 4219/3.9=2, 1586/3.9=1 HB ILE 33 - HE2 LYS 32 lone 5 81 - 7 - 4219/3.9=2, 1586/3.9=1 HG2 PRO 34 - HE2 LYS 39 poor 5 51 - 10 - ~5209=1, 1865/3.6=1 HB2 PRO 34 - HE2 LYS 73 lone 5 96 - 5 - HB2 ARG 69 - HE3 LYS 13 lone 5 87 - 5 - 1021/3.8=1 HB2 PRO 34 - HE3 LYS 73 lone 5 96 - 5 - HB2 ARG 69 - HE2 LYS 13 lone 5 87 - 5 - 1021/3.8=1 HB2 LEU 57 - HE3 LYS 75 lone 5 81 - 6 - HB2 LEU 57 - HE2 LYS 75 lone 5 81 - 6 - HG2 PRO 34 - HE3 LYS 39 lone 5 48 - 10 - ~5209=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 39 lone 4 78 - 5 - HB2 LYS 85 - HE3 LYS 39 lone 4 75 - 5 - HB2 LEU 57 - HE2 LYS 39 lone 4 67 - 6 - HB2 ARG 69 - HE2 LYS 39 lone 4 78 - 5 - HB2 LEU 57 - HE3 LYS 39 lone 4 64 - 6 - HB2 ARG 69 - HE3 LYS 39 lone 4 75 - 5 - HB2 LYS 85 - HE3 LYS 32 lone 4 89 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 4 89 - 4 - HB2 LYS 83 - HE2 LYS 73 lone 4 97 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 4 97 - 4 - HB2 ARG 69 - HE3 LYS 32 lone 4 89 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 4 89 - 4 - HB2 LYS 83 - HE3 LYS 13 lone 3 96 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 96 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 3 89 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 3 89 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 89 - 4 - HB2 PRO 34 - HE2 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HE3 LYS 75 lone 3 99 - 3 - HB2 LYS 83 - HE3 LYS 39 lone 3 85 - 4 - HG2 PRO 34 - HE2 LYS 73 lone 3 60 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 3 75 - 4 - HB2 ARG 54 - HE3 LYS 73 lone 3 74 - 4 - HG2 PRO 34 - HE3 LYS 73 lone 3 59 - 5 - HB2 ARG 54 - HE3 LYS 75 lone 3 78 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 3 78 - 3 - HB3 ARG 84 - HE2 LYS 39 lone 3 78 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 95 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 3 95 - 3 - HB3 ARG 84 - HE3 LYS 39 lone 2 75 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 2 65 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 2 75 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 74 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 71 - 3 - HB3 ARG 82 - HE3 LYS 39 lone 2 62 - 3 - HB ILE 33 - HE3 LYS 39 lone 2 68 - 3 - HB3 ARG 84 - HE2 LYS 75 lone 2 92 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 2 92 - 2 - HB ILE 33 - HE3 LYS 75 lone 2 85 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 85 - 2 - HG2 PRO 34 - HE3 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 2 63 - 3 - HB3 ARG 82 - HE3 LYS 32 lone 2 76 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 2 75 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 81 - 2 - HB ILE 33 - HE3 LYS 73 lone 2 81 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 98 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 97 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 87 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 87 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 1 73 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 1 58 - 2 - HG2 PRO 34 - HE2 LYS 13 lone 1 58 - 2 - Peak 3140 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.12 A): 8 out of 120 assignments used, quality = 1.00: HG2 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG3 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) * HG2 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 73 + HE2 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 73 + HE3 LYS 73 OK 69 98 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 39 + HE2 LYS 39 OK 64 78 - 81 - 3.6=66, 1879/3.0=7...(14) HG3 LYS 39 + HE3 LYS 39 OK 61 75 - 81 - 3.6=66, 1879/3.0=7...(14) HG3 LYS 39 - HE3 LYS 75 OK 33 92 - 36 - 1880/1.8=2, 1.8/1870=2...(11) HG3 LYS 39 - HE2 LYS 75 OK 33 92 - 36 - 1.8/1870=2, 1880/1.8=2...(11) HG3 LYS 73 - HE3 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 73 - HE2 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 75 - HE3 LYS 13 OK 27 98 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 27 98 - 28 - 3102/2.9=1, 3102/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 39 OK 25 90 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE2 LYS 39 OK 25 90 - 28 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE3 LYS 73 OK 24 98 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 73 OK 24 98 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 39 OK 24 87 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 24 87 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 73 - HE3 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 73 - HE2 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 39 - HE3 LYS 13 OK 18 87 - 21 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 18 87 - 21 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 73 - HE3 LYS 13 OK 17 98 - 18 - HG3 LYS 73 - HE2 LYS 13 OK 17 97 - 18 - HG3 LYS 39 - HE2 LYS 73 OK 17 89 - 20 - HG3 LYS 39 - HE3 LYS 73 OK 17 88 - 20 - HG3 LYS 39 - HE3 LYS 32 OK 14 89 - 16 - HG3 LYS 39 - HE2 LYS 32 OK 14 89 - 16 - HG2 LYS 85 - HE2 LYS 75 OK 13 96 - 14 - HG2 LYS 85 - HE3 LYS 75 OK 13 96 - 14 - HG3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG3 LYS 73 - HE2 LYS 39 OK 11 90 - 12 - 1867/3.6=1 HG3 LYS 73 - HE3 LYS 39 OK 11 87 - 13 - 1867/3.6=1 HG2 LYS 85 - HE2 LYS 73 OK 11 93 - 12 - HG2 LYS 85 - HE3 LYS 73 OK 11 92 - 12 - HB3 ARG 69 - HE2 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HG2 LYS 85 - HE3 LYS 13 lone 9 91 - 10 - HG2 LYS 85 - HE2 LYS 13 lone 9 91 - 10 - HG3 ARG 69 - HE2 LYS 75 lone 8 95 - 9 - 2818/5.0=1 HG3 ARG 69 - HE3 LYS 75 lone 8 94 - 9 - 2818/5.0=1 HB3 ARG 69 - HE2 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 7 97 - 7 - 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HB3 ARG 69 - HE3 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 39 lone 4 89 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 4 86 - 4 - QB ALA 77 - HE2 LYS 75 lone 4 93 - 4 - QB ALA 77 - HE3 LYS 75 lone 3 93 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 3 93 - 3 - HG2 LYS 85 - HE2 LYS 32 lone 3 93 - 3 - HG3 ARG 69 - HE3 LYS 32 lone 3 92 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 3 91 - 4 - QB ALA 53 - HE2 LYS 39 lone 3 90 - 3 - QB ALA 53 - HE2 LYS 73 lone 3 98 - 3 - QB ALA 53 - HE3 LYS 73 lone 3 98 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 97 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 96 - 3 - QB ALA 53 - HE3 LYS 39 lone 3 86 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 3 83 - 3 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 3 - HG2 LYS 83 - HE3 LYS 75 lone 3 81 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 3 79 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 100 - 3 - HG3 ARG 69 - HE2 LYS 39 lone 3 81 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 78 - 3 - QB ALA 78 - HE2 LYS 73 lone 2 99 - 2 - QB ALA 78 - HE3 LYS 73 lone 2 98 - 2 - HG3 ARG 69 - HE3 LYS 13 lone 2 90 - 2 - HG3 ARG 69 - HE2 LYS 13 lone 2 89 - 2 - HG2 LYS 83 - HE2 LYS 73 lone 2 77 - 3 - HG2 LYS 83 - HE3 LYS 73 lone 2 76 - 3 - QB ALA 53 - HE3 LYS 32 lone 2 99 - 2 - QB ALA 53 - HE2 LYS 32 lone 2 98 - 2 - QB ALA 77 - HE2 LYS 73 lone 2 90 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 89 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 100 - 1 - QB ALA 53 - HE2 LYS 75 lone 1 100 - 1 - QB ALA 78 - HE2 LYS 39 lone 1 90 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 87 - 2 - QB ALA 20 - HE2 LYS 75 lone 1 96 - 1 - QB ALA 20 - HE3 LYS 75 lone 1 96 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 76 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 75 - 2 - HG2 LYS 83 - HE2 LYS 39 lone 1 67 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 80 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 64 - 2 - QB ALA 77 - HE3 LYS 39 lone 1 76 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 98 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 99 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 99 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 89 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 78 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 88 - 1 - HG2 LYS 83 - HE2 LYS 32 lone 1 77 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 83 - 1 - QB ALA 20 - HE2 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 92 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 79 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 91 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 90 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 91 - 1 - QB ALA 20 - HE2 LYS 13 lone 1 91 - 1 - Peak 3141 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.12 A): 8 out of 120 assignments used, quality = 1.00: HG2 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG3 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG2 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) * HG3 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 73 + HE2 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 73 + HE3 LYS 73 OK 69 98 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 39 + HE2 LYS 39 OK 64 78 - 81 - 3.6=66, 1879/3.0=7...(14) HG3 LYS 39 + HE3 LYS 39 OK 61 75 - 81 - 3.6=66, 1879/3.0=7...(14) HG3 LYS 39 - HE3 LYS 75 OK 33 92 - 36 - 1880/1.8=2, 1.8/1870=2...(11) HG3 LYS 39 - HE2 LYS 75 OK 33 92 - 36 - 1.8/1870=2, 1880/1.8=2...(11) HG3 LYS 73 - HE3 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 73 - HE2 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 75 - HE3 LYS 13 OK 27 98 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 27 98 - 28 - 3102/2.9=1, 3102/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 39 OK 25 90 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE2 LYS 39 OK 25 90 - 28 - 1867/3.6=3, 3108/4.7=1 HG2 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE3 LYS 73 OK 24 98 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 73 OK 24 98 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 39 OK 24 87 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 24 87 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 73 - HE3 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 73 - HE2 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 39 - HE3 LYS 13 OK 18 87 - 21 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 18 87 - 21 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 73 - HE3 LYS 13 OK 17 98 - 18 - HG3 LYS 73 - HE2 LYS 13 OK 17 97 - 18 - HG3 LYS 39 - HE2 LYS 73 OK 17 89 - 20 - HG3 LYS 39 - HE3 LYS 73 OK 17 88 - 20 - HG3 LYS 39 - HE3 LYS 32 OK 14 89 - 16 - HG3 LYS 39 - HE2 LYS 32 OK 14 89 - 16 - HG2 LYS 85 - HE2 LYS 75 OK 13 96 - 14 - HG2 LYS 85 - HE3 LYS 75 OK 13 96 - 14 - HG3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG3 LYS 73 - HE2 LYS 39 OK 11 90 - 12 - 1867/3.6=1 HG3 LYS 73 - HE3 LYS 39 OK 11 87 - 13 - 1867/3.6=1 HG2 LYS 85 - HE2 LYS 73 OK 11 93 - 12 - HG2 LYS 85 - HE3 LYS 73 OK 11 92 - 12 - HB3 ARG 69 - HE2 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HG2 LYS 85 - HE3 LYS 13 lone 9 91 - 10 - HG2 LYS 85 - HE2 LYS 13 lone 9 91 - 10 - HG3 ARG 69 - HE2 LYS 75 lone 8 95 - 9 - 2818/5.0=1 HG3 ARG 69 - HE3 LYS 75 lone 8 94 - 9 - 2818/5.0=1 HB3 ARG 69 - HE2 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 7 97 - 7 - 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HB3 ARG 69 - HE3 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 39 lone 4 89 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 4 86 - 4 - QB ALA 77 - HE2 LYS 75 lone 4 93 - 4 - QB ALA 77 - HE3 LYS 75 lone 3 93 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 3 93 - 3 - HG2 LYS 85 - HE2 LYS 32 lone 3 93 - 3 - HG3 ARG 69 - HE3 LYS 32 lone 3 92 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 3 91 - 4 - QB ALA 53 - HE2 LYS 39 lone 3 90 - 3 - QB ALA 53 - HE2 LYS 73 lone 3 98 - 3 - QB ALA 53 - HE3 LYS 73 lone 3 98 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 97 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 96 - 3 - QB ALA 53 - HE3 LYS 39 lone 3 86 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 3 83 - 3 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 3 - HG2 LYS 83 - HE3 LYS 75 lone 3 81 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 3 79 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 100 - 3 - HG3 ARG 69 - HE2 LYS 39 lone 3 81 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 78 - 3 - QB ALA 78 - HE2 LYS 73 lone 2 99 - 2 - QB ALA 78 - HE3 LYS 73 lone 2 98 - 2 - HG3 ARG 69 - HE3 LYS 13 lone 2 90 - 2 - HG3 ARG 69 - HE2 LYS 13 lone 2 89 - 2 - HG2 LYS 83 - HE2 LYS 73 lone 2 77 - 3 - HG2 LYS 83 - HE3 LYS 73 lone 2 76 - 3 - QB ALA 53 - HE3 LYS 32 lone 2 99 - 2 - QB ALA 53 - HE2 LYS 32 lone 2 98 - 2 - QB ALA 77 - HE2 LYS 73 lone 2 90 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 89 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 100 - 1 - QB ALA 53 - HE2 LYS 75 lone 1 100 - 1 - QB ALA 78 - HE2 LYS 39 lone 1 90 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 87 - 2 - QB ALA 20 - HE2 LYS 75 lone 1 96 - 1 - QB ALA 20 - HE3 LYS 75 lone 1 96 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 76 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 75 - 2 - HG2 LYS 83 - HE2 LYS 39 lone 1 67 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 80 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 64 - 2 - QB ALA 77 - HE3 LYS 39 lone 1 76 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 98 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 99 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 99 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 89 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 78 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 88 - 1 - HG2 LYS 83 - HE2 LYS 32 lone 1 77 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 83 - 1 - QB ALA 20 - HE2 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 92 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 79 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 91 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 90 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 91 - 1 - QB ALA 20 - HE2 LYS 13 lone 1 91 - 1 - Peak 3142 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 80 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 73 98 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE3 LYS 13 OK 73 98 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) * HD2 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 13 + HE2 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE2 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HB3 LYS 13 - HE3 LYS 13 OK 28 84 - 33 - 5.2=12, 1036/3.8=2...(5) HB3 LYS 13 - HE2 LYS 13 OK 27 83 - 33 - 5.2=12, 1036/3.8=2...(5) HD2 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HD2 LYS 75 - HE3 LYS 13 poor 10 98 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 98 - 10 - HD3 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 98 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 98 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 90 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 90 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 8 87 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 87 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 98 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 98 - 7 - HB3 LYS 13 - HE2 LYS 73 lone 6 85 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 6 84 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 90 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 90 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 87 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 87 - 6 - HB3 LYS 13 - HE2 LYS 39 lone 4 75 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HB3 LYS 13 - HE3 LYS 39 lone 4 71 - 6 - HD3 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 86 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 85 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 97 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 2 89 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 85 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 85 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 82 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 99 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 99 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 95 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 94 - 2 - HB3 GLN 61 - HE3 LYS 32 lone 1 98 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 98 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 96 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 98 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 97 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 95 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 95 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 98 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 97 - 0 - HB3 GLN 61 - HE2 LYS 39 lone 0 89 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 86 - 0 - Peak 3143 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 80 assignments used, quality = 1.00: HD3 LYS 13 + HE3 LYS 13 OK 73 98 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE3 LYS 13 OK 73 98 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD3 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) * HD3 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 13 + HE2 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE2 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HB3 LYS 13 - HE3 LYS 13 OK 28 84 - 33 - 5.2=12, 1036/3.8=2...(5) HB3 LYS 13 - HE2 LYS 13 OK 27 83 - 33 - 5.2=12, 1036/3.8=2...(5) HD2 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HD2 LYS 75 - HE3 LYS 13 poor 10 98 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 98 - 10 - HD3 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 8 98 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 8 98 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 90 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 90 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 8 87 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 8 87 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 98 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 98 - 7 - HB3 LYS 13 - HE2 LYS 73 lone 6 85 - 7 - HB3 LYS 13 - HE3 LYS 73 lone 6 84 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 90 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 90 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 87 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 87 - 6 - HB3 LYS 13 - HE2 LYS 39 lone 4 75 - 6 - HD2 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HB3 LYS 13 - HE3 LYS 39 lone 4 71 - 6 - HD3 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 86 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 85 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 97 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 2 89 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 85 - 3 - HG LEU 29 - HE2 LYS 39 lone 2 85 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE3 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 82 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 99 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 99 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 95 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 94 - 2 - HB3 GLN 61 - HE3 LYS 32 lone 1 98 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 98 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 96 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 98 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 97 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 95 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 95 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 98 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 97 - 0 - HB3 GLN 61 - HE2 LYS 39 lone 0 89 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 86 - 0 - Peak 3144 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 75 + HE2 LYS 75 OK 100 100 - 100 HE3 LYS 75 + HE3 LYS 75 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 97 97 - 100 HE2 LYS 73 + HE2 LYS 73 OK 96 96 - 100 HE2 LYS 32 + HE2 LYS 32 OK 96 96 - 100 HE2 LYS 13 + HE2 LYS 13 OK 96 96 - 100 HE3 LYS 73 + HE3 LYS 73 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 77 77 - 100 HE3 LYS 39 + HE3 LYS 39 OK 70 70 - 100 Peak 3145 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 75 + HE3 LYS 75 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 98 98 - 100 HE2 LYS 73 + HE2 LYS 73 OK 97 97 - 100 HE2 LYS 32 + HE2 LYS 32 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 96 96 - 100 HE3 LYS 73 + HE3 LYS 73 OK 96 96 - 100 HE2 LYS 13 + HE2 LYS 13 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 75 75 - 100 HE3 LYS 39 + HE3 LYS 39 OK 68 68 - 100 Reference assignment not found: HE3 LYS 75 - HE2 LYS 75 Peak 3147 from cnoeabs.peaks (4.24, 2.96, 41.78 ppm; 4.48 A): 6 out of 110 assignments used, quality = 1.00: * HA LYS 75 + HE3 LYS 75 OK 77 100 - 77 - 6.4=34, 3073/2.9=10...(33) HA LYS 75 + HE2 LYS 75 OK 77 100 - 77 - 6.4=34, 3073/2.9=10...(33) HA LYS 39 + HE2 LYS 39 OK 67 87 - 77 - 6.2=39, 1836/3.6=12...(20) HA LYS 39 + HE3 LYS 39 OK 64 83 - 77 - 6.2=39, 1836/3.6=12...(20) HA LYS 39 + HE2 LYS 75 OK 59 99 - 60 - 1837/3.5=7, 1837/3.5=7...(24) HA LYS 39 + HE3 LYS 75 OK 59 99 - 60 - 1837/3.5=7, 1837/3.5=7...(24) HA LYS 75 - HE3 LYS 13 OK 44 97 - 46 - 3073/2.9=5, 3073/2.9=5...(14) HA LYS 75 - HE2 LYS 13 OK 44 97 - 46 - 3073/2.9=5, 3073/2.9=5...(14) HA LYS 75 - HE2 LYS 39 OK 42 89 - 48 - 1873/3.6=7, 1863/3.6=7...(16) HA LYS 75 - HE3 LYS 39 OK 41 85 - 49 - 1873/3.6=7, 1863/3.6=7...(16) HA LYS 75 - HE2 LYS 73 OK 38 99 - 39 - 3068/4.7=4, 3070/3.7=4...(9) HA LYS 75 - HE3 LYS 73 OK 38 99 - 39 - 3068/4.7=4, 3070/3.7=4...(9) HA LYS 39 - HE3 LYS 13 OK 32 96 - 33 - 1837/3.8=2, 4.1/1870=2...(10) HA LYS 39 - HE2 LYS 13 OK 32 95 - 34 - 1837/3.8=2, 4.1/1870=2...(10) HA LYS 39 - HE2 LYS 73 OK 31 98 - 32 - 1837/3.7=3, 1838/3.0=2...(9) HA LYS 39 - HE3 LYS 73 OK 31 97 - 32 - 1837/3.7=3, 1838/3.0=2...(9) HA LYS 85 - HE3 LYS 75 OK 26 92 - 28 - 3427/3.5=2, 3427/3.5=2...(9) HA LYS 85 - HE2 LYS 75 OK 26 92 - 28 - 3427/3.5=2, 3427/3.5=2...(9) HA LYS 39 - HE3 LYS 32 OK 23 98 - 23 - 1838/3.0=1, 1838/3.0=1...(8) HA LYS 39 - HE2 LYS 32 OK 23 98 - 23 - 1838/3.0=1, 1838/3.0=1...(8) HA LYS 75 - HE3 LYS 32 OK 20 99 - 19 - 3075=1, 3075/1.8=1 HA LYS 75 - HE2 LYS 32 OK 20 99 - 19 - 3075=1, 3075/1.8=1 HA LEU 64 - HE2 LYS 39 OK 18 75 - 24 - 2616/3.6=6, 1873/3.6=6...(8) HA LEU 64 - HE3 LYS 39 OK 17 71 - 24 - 2616/3.6=6, 1873/3.6=6...(8) HA LYS 85 - HE2 LYS 73 OK 17 89 - 19 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 85 - HE3 LYS 73 OK 17 89 - 19 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 85 - HE3 LYS 13 OK 14 87 - 16 - 3428/3.8=2, 3117/2.9=1...(4) HA ALA 12 - HE3 LYS 13 OK 14 88 - 16 - 3704/6.7=13 HA LYS 85 - HE2 LYS 13 OK 14 86 - 16 - 3428/3.8=2, 3117/2.9=1...(4) HA ALA 12 - HE2 LYS 13 OK 14 87 - 16 - 3704/6.7=13 HA LYS 83 - HE3 LYS 75 OK 13 100 - 13 - 6143/3.5=1, 6143/3.5=1, ~5897=1 HA LYS 83 - HE2 LYS 75 OK 13 100 - 13 - 6143/3.5=1, 6143/3.5=1, ~5897=1 HA LYS 83 - HE2 LYS 73 lone 9 99 - 9 - ~5896=2 HA LYS 83 - HE3 LYS 73 lone 9 99 - 9 - ~5896=2 HA LYS 83 - HE2 LYS 39 lone 9 89 - 10 - 1873/3.6=2, 1863/3.6=2, ~5896=1 HA LYS 83 - HE3 LYS 39 lone 8 85 - 10 - 1873/3.6=2, 1863/3.6=2, ~5896=1 HA ALA 77 - HE3 LYS 75 lone 7 97 - 8 - HA ALA 77 - HE2 LYS 75 lone 7 97 - 8 - HA LYS 85 - HE2 LYS 39 lone 7 77 - 9 - 1863/3.6=1, 1873/3.6=1 HA LYS 85 - HE3 LYS 39 lone 7 73 - 9 - 1863/3.6=1, 1873/3.6=1 HA LYS 83 - HE3 LYS 13 lone 6 97 - 6 - HA LYS 83 - HE2 LYS 13 lone 6 97 - 6 - HA LYS 85 - HE3 LYS 32 lone 5 90 - 5 - HA LYS 85 - HE2 LYS 32 lone 5 89 - 5 - HA LEU 64 - HE2 LYS 75 lone 5 90 - 5 - HA LEU 64 - HE3 LYS 75 lone 4 90 - 5 - HA LEU 64 - HE3 LYS 13 lone 4 85 - 5 - HA LEU 64 - HE2 LYS 13 lone 4 84 - 5 - HA LYS 83 - HE3 LYS 32 lone 4 99 - 4 - HA LYS 83 - HE2 LYS 32 lone 4 99 - 4 - HA LEU 64 - HE3 LYS 32 lone 3 89 - 4 - 4693/7.0=1 HA LEU 64 - HE2 LYS 32 lone 3 88 - 4 - 4693/7.0=1 HA ALA 20 - HE3 LYS 75 lone 3 89 - 4 - HA ALA 20 - HE2 LYS 75 lone 3 89 - 4 - HB THR 37 - HE2 LYS 39 lone 3 65 - 5 - HA LEU 64 - HE2 LYS 73 lone 3 88 - 3 - HA ALA 77 - HE2 LYS 73 lone 3 94 - 3 - HA ALA 77 - HE3 LYS 73 lone 3 94 - 3 - HA LEU 64 - HE3 LYS 73 lone 3 87 - 3 - HB THR 37 - HE3 LYS 39 lone 3 62 - 5 - HA ALA 77 - HE2 LYS 39 lone 3 82 - 3 - HA ALA 20 - HE2 LYS 39 lone 3 73 - 3 - HA ALA 77 - HE3 LYS 39 lone 3 78 - 3 - HA ALA 20 - HE3 LYS 39 lone 2 70 - 3 - HA THR 15 - HE2 LYS 73 lone 2 99 - 2 - HA THR 15 - HE3 LYS 73 lone 2 99 - 2 - HA GLU 19 - HE2 LYS 39 lone 2 80 - 3 - HA ALA 12 - HE3 LYS 32 lone 2 92 - 2 - HA THR 15 - HE2 LYS 39 lone 2 88 - 3 - HA ALA 12 - HE2 LYS 32 lone 2 91 - 2 - HA THR 15 - HE3 LYS 39 lone 2 85 - 3 - HA GLU 19 - HE3 LYS 39 lone 2 76 - 3 - HA ALA 12 - HE2 LYS 39 lone 2 78 - 3 - HA GLU 19 - HE3 LYS 75 lone 2 95 - 2 - HA GLU 19 - HE2 LYS 75 lone 2 94 - 2 - HA THR 15 - HE2 LYS 75 lone 2 100 - 2 - HA THR 15 - HE3 LYS 75 lone 2 100 - 2 - HA ALA 12 - HE3 LYS 75 lone 2 93 - 2 - HA ALA 12 - HE2 LYS 75 lone 2 93 - 2 - HA ALA 12 - HE3 LYS 39 lone 2 74 - 3 - HA ALA 77 - HE3 LYS 13 lone 2 92 - 2 - HA ALA 77 - HE2 LYS 13 lone 2 91 - 2 - HB THR 37 - HE2 LYS 75 lone 2 81 - 2 - HB THR 37 - HE3 LYS 75 lone 2 81 - 2 - HA ALA 20 - HE2 LYS 73 lone 2 86 - 2 - HA ALA 20 - HE3 LYS 73 lone 2 85 - 2 - HB THR 37 - HE2 LYS 73 lone 2 78 - 2 - HB THR 37 - HE3 LYS 73 lone 2 77 - 2 - HA THR 15 - HE3 LYS 13 lone 2 97 - 2 - HA GLU 19 - HE2 LYS 73 lone 2 92 - 2 - HA THR 15 - HE2 LYS 13 lone 2 97 - 2 - HA ALA 12 - HE2 LYS 73 lone 2 91 - 2 - HA GLU 19 - HE3 LYS 73 lone 2 91 - 2 - HA ALA 12 - HE3 LYS 73 lone 2 90 - 2 - HA ALA 77 - HE3 LYS 32 lone 2 95 - 2 - HA ALA 77 - HE2 LYS 32 lone 2 94 - 2 - HA GLU 19 - HE3 LYS 13 lone 1 89 - 2 - HA GLU 19 - HE2 LYS 13 lone 1 89 - 2 - HA ALA 20 - HE3 LYS 13 lone 1 83 - 2 - HA ALA 20 - HE2 LYS 13 lone 1 82 - 2 - HA THR 15 - HE3 LYS 32 lone 1 99 - 1 - HA THR 15 - HE2 LYS 32 lone 1 99 - 1 - HA GLU 19 - HE3 LYS 32 lone 1 93 - 1 - HA GLU 19 - HE2 LYS 32 lone 1 92 - 1 - HA ALA 20 - HE3 LYS 32 lone 1 87 - 1 - HA ALA 20 - HE2 LYS 32 lone 1 86 - 1 - HB THR 37 - HE3 LYS 13 lone 1 75 - 2 - HB THR 37 - HE2 LYS 13 lone 1 74 - 2 - HB THR 37 - HE3 LYS 32 lone 1 79 - 1 - HB THR 37 - HE2 LYS 32 lone 1 78 - 1 - Peak 3148 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 3.81 A): 8 out of 110 assignments used, quality = 1.00: * HB2 LYS 75 + HE3 LYS 75 OK 72 100 - 72 - 5.0=45, 3128/2.9=5...(32) HB2 LYS 75 + HE2 LYS 75 OK 72 100 - 72 - 5.0=45, 3128/2.9=5...(32) HB2 LYS 39 + HE2 LYS 39 OK 65 81 - 80 - 4.7=54, 1884/3.0=4...(30) HB2 LYS 39 + HE3 LYS 39 OK 62 77 - 81 - 4.7=54, 1884/3.0=4...(30) HB2 LYS 73 + HE2 LYS 73 OK 58 80 - 73 - 4.7=54, 2.9/3032=3...(19) HB2 LYS 73 + HE3 LYS 73 OK 58 79 - 73 - 4.7=54, 2.9/3032=3...(19) HB2 LYS 39 + HE3 LYS 75 OK 49 96 - 52 - 2.9/1870=3, 2.9/1880=3...(21) HB2 LYS 39 + HE2 LYS 75 OK 49 96 - 52 - 2.9/1870=3, 2.9/1880=3...(21) HB2 LYS 75 - HE3 LYS 13 OK 36 97 - 37 - 3128/2.9=2, 3118/2.9=2...(7) HB2 LYS 75 - HE2 LYS 13 OK 36 97 - 37 - 3128/2.9=2, 3118/2.9=2...(7) HB2 LYS 73 - HE3 LYS 75 OK 34 83 - 42 - 2.9/6146=2, 3108/3.5=2...(13) HB2 LYS 73 - HE2 LYS 75 OK 34 83 - 42 - 2.9/6146=2, 3108/3.5=2...(13) HB2 LYS 75 - HE2 LYS 39 OK 32 89 - 37 - 1864/3.6=5, 1874/3.6=4...(10) HB2 LYS 75 - HE3 LYS 39 OK 31 85 - 37 - 1864/3.6=5, 1874/3.6=4...(10) HB2 LYS 39 - HE3 LYS 13 OK 28 91 - 30 - 2.9/1880=2, 2.9/1870=2...(10) HB2 LYS 39 - HE2 LYS 13 OK 27 90 - 30 - 2.9/1880=2, 2.9/1870=2...(10) HB2 LYS 75 - HE2 LYS 73 OK 27 99 - 27 - 2972/3.7=2, 3.0/3075=1...(6) HB2 LYS 75 - HE3 LYS 73 OK 27 99 - 27 - 2972/3.7=2, 3.0/3075=1...(6) HB2 LYS 39 - HE2 LYS 73 OK 25 93 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 39 - HE3 LYS 73 OK 24 93 - 26 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 73 - HE3 LYS 32 OK 24 81 - 31 - 2.9/6146=1, 2975/3.0=1...(4) HB2 LYS 73 - HE2 LYS 32 OK 24 80 - 31 - 2.9/6146=1, 2975/3.0=1...(4) HB2 LYS 39 - HE3 LYS 32 OK 21 94 - 22 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 39 - HE2 LYS 32 OK 21 93 - 22 - 2.9/1870=1, 2.9/1880=1 HB2 LYS 73 - HE3 LYS 13 OK 20 77 - 26 - 2972/3.8=1, 3128/2.9=1...(4) HB2 LYS 73 - HE2 LYS 13 OK 20 77 - 26 - 2972/3.8=1, 3128/2.9=1...(4) HB2 LYS 75 - HE3 LYS 32 OK 14 99 - 14 - HB2 LYS 75 - HE2 LYS 32 OK 14 99 - 14 - HB2 LYS 73 - HE2 LYS 39 OK 11 68 - 16 - HB2 LYS 73 - HE3 LYS 39 OK 10 64 - 16 - HB2 ARG 71 - HE3 LYS 32 lone 9 96 - 9 - HB ILE 89 - HE2 LYS 73 poor 9 82 - 11 - 3605/6.1=2, 2990/3.7=1 HB ILE 89 - HE3 LYS 13 poor 9 79 - 11 - 3609/3.8=2, 3609/3.8=2, ~5329=1 HB2 ARG 71 - HE2 LYS 32 lone 9 95 - 9 - HB3 ARG 71 - HE3 LYS 32 lone 9 95 - 9 - HB ILE 89 - HE3 LYS 73 poor 9 81 - 11 - 3605/6.1=2, 2990/3.7=1 HB ILE 89 - HE2 LYS 13 poor 9 79 - 11 - 3609/3.8=2, 3609/3.8=2, ~5329=1 HB3 ARG 71 - HE2 LYS 32 lone 9 94 - 9 - HB2 ARG 23 - HE2 LYS 39 lone 8 88 - 10 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE2 LYS 39 lone 8 87 - 10 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 23 - HE3 LYS 39 lone 8 84 - 10 - 1864/3.6=2, 1874/3.6=2 HB3 ARG 23 - HE3 LYS 39 lone 8 84 - 10 - 1864/3.6=2, 1874/3.6=2 HB2 ARG 71 - HE2 LYS 73 lone 7 95 - 7 - HB2 ARG 71 - HE3 LYS 73 lone 7 95 - 7 - HB3 ARG 71 - HE2 LYS 73 lone 7 94 - 7 - HB3 ARG 71 - HE3 LYS 73 lone 7 94 - 7 - HB2 ARG 23 - HE3 LYS 75 lone 6 100 - 6 - HB2 ARG 23 - HE2 LYS 75 lone 6 100 - 6 - HB3 ARG 23 - HE3 LYS 75 lone 6 100 - 6 - HB3 ARG 23 - HE2 LYS 75 lone 6 100 - 6 - HB ILE 89 - HE2 LYS 75 lone 6 85 - 7 - HB ILE 89 - HE3 LYS 75 lone 6 85 - 7 - HB2 ARG 71 - HE2 LYS 75 lone 5 97 - 5 - HB2 ARG 71 - HE3 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HE3 LYS 75 lone 5 97 - 5 - HB3 ARG 71 - HE2 LYS 75 lone 5 97 - 5 - HB2 ARG 17 - HE2 LYS 73 lone 4 99 - 3 - HB2 ARG 17 - HE3 LYS 73 lone 4 98 - 3 - HB2 ARG 71 - HE2 LYS 39 lone 3 83 - 4 - HB3 ARG 71 - HE2 LYS 39 lone 3 82 - 4 - HB2 ARG 71 - HE3 LYS 39 lone 3 80 - 4 - HB3 ARG 71 - HE3 LYS 39 lone 3 78 - 4 - HB2 ARG 23 - HE3 LYS 13 lone 3 97 - 3 - HB3 ARG 23 - HE3 LYS 13 lone 3 96 - 3 - HB2 ARG 23 - HE2 LYS 13 lone 3 96 - 3 - HB3 ARG 23 - HE2 LYS 13 lone 3 96 - 3 - HB2 ARG 17 - HE3 LYS 32 lone 3 99 - 3 - HB2 ARG 17 - HE2 LYS 32 lone 3 99 - 3 - HB2 ARG 17 - HE2 LYS 39 lone 3 88 - 3 - HB2 ARG 27 - HE2 LYS 39 lone 3 83 - 3 - HB ILE 89 - HE2 LYS 39 lone 3 70 - 4 - HB3 ARG 27 - HE2 LYS 39 lone 2 82 - 3 - HB2 ARG 17 - HE3 LYS 39 lone 2 84 - 3 - HB2 ARG 27 - HE3 LYS 39 lone 2 80 - 3 - HB2 ARG 27 - HE3 LYS 32 lone 2 96 - 2 - HB2 ARG 27 - HE2 LYS 32 lone 2 95 - 2 - HB3 ARG 27 - HE3 LYS 32 lone 2 95 - 2 - HB3 ARG 27 - HE3 LYS 39 lone 2 78 - 3 - HB2 ARG 27 - HE2 LYS 75 lone 2 97 - 2 - HB2 ARG 27 - HE3 LYS 75 lone 2 97 - 2 - HB ILE 89 - HE3 LYS 39 lone 2 66 - 4 - HB3 ARG 27 - HE2 LYS 32 lone 2 94 - 2 - HB3 ARG 27 - HE2 LYS 75 lone 2 97 - 2 - HB3 ARG 27 - HE3 LYS 75 lone 2 97 - 2 - HB2 ARG 23 - HE2 LYS 73 lone 2 99 - 2 - HB2 ARG 23 - HE3 LYS 73 lone 2 98 - 2 - HB3 ARG 23 - HE2 LYS 73 lone 2 98 - 2 - HB3 ARG 23 - HE3 LYS 73 lone 2 98 - 2 - HB2 ARG 27 - HE2 LYS 73 lone 2 95 - 2 - HB2 ARG 27 - HE3 LYS 73 lone 2 95 - 2 - HB3 ARG 27 - HE2 LYS 73 lone 2 94 - 2 - HB3 ARG 27 - HE3 LYS 73 lone 2 94 - 2 - HB2 ARG 17 - HE2 LYS 75 lone 2 100 - 1 - HB2 ARG 17 - HE3 LYS 75 lone 2 100 - 1 - HB2 ARG 23 - HE3 LYS 32 lone 1 99 - 1 - HB3 ARG 23 - HE3 LYS 32 lone 1 99 - 1 - HB2 ARG 23 - HE2 LYS 32 lone 1 99 - 1 - HB3 ARG 23 - HE2 LYS 32 lone 1 98 - 1 - HB2 ARG 27 - HE3 LYS 13 lone 1 93 - 1 - HB ILE 89 - HE3 LYS 32 lone 1 83 - 2 - HB2 ARG 27 - HE2 LYS 13 lone 1 92 - 1 - HB ILE 89 - HE2 LYS 32 lone 1 82 - 2 - HB3 ARG 27 - HE3 LYS 13 lone 1 92 - 1 - HB3 ARG 27 - HE2 LYS 13 lone 1 91 - 1 - HB2 ARG 71 - HE3 LYS 13 lone 1 93 - 1 - HB2 ARG 71 - HE2 LYS 13 lone 1 92 - 1 - HB3 ARG 71 - HE3 LYS 13 lone 1 92 - 1 - HB3 ARG 71 - HE2 LYS 13 lone 1 91 - 1 - HB2 ARG 17 - HE3 LYS 13 lone 1 97 - 1 - HB2 ARG 17 - HE2 LYS 13 lone 1 96 - 1 - Peak 3149 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.48 A): 12 out of 160 assignments used, quality = 1.00: HB3 LYS 32 + HE3 LYS 32 OK 65 92 - 71 - 4.6=44, 2.9/1638=6...(19) HB2 LYS 32 + HE3 LYS 32 OK 65 92 - 71 - 4.6=44, 2.9/1638=6...(19) HB2 LYS 32 + HE2 LYS 32 OK 65 91 - 71 - 4.6=44, 2.9/1638=6...(19) HB3 LYS 32 + HE2 LYS 32 OK 65 91 - 71 - 4.6=44, 2.9/1638=6...(19) * HB3 LYS 75 + HE3 LYS 75 OK 61 100 - 61 - 5.0=34, 3092/2.9=3...(30) HB3 LYS 75 + HE2 LYS 75 OK 61 100 - 61 - 5.0=34, 3092/2.9=3...(30) HB3 LYS 39 + HE2 LYS 39 OK 58 87 - 67 - 4.7=41, 2.9/1906=3...(25) HB2 LYS 13 + HE3 LYS 13 OK 56 97 - 58 - 5.2=30, 3.0/1073=3...(25) HB2 LYS 13 + HE2 LYS 13 OK 56 97 - 58 - 5.2=30, 3.0/1073=3...(25) HB3 LYS 39 + HE3 LYS 39 OK 56 84 - 67 - 4.7=41, 2.9/1906=3...(25) HB3 LYS 73 + HE2 LYS 73 OK 55 95 - 58 - 4.7=41, 2.9/3032=3...(14) HB3 LYS 73 + HE3 LYS 73 OK 55 95 - 58 - 4.7=41, 2.9/3032=3...(14) HB3 LYS 39 - HE3 LYS 75 OK 41 100 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB3 LYS 39 - HE2 LYS 75 OK 41 100 - 42 - 2.9/1870=2, 2.9/1880=2...(24) HB2 LYS 32 - HE2 LYS 73 OK 34 91 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB3 LYS 32 - HE2 LYS 73 OK 34 91 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB3 LYS 32 - HE3 LYS 73 OK 34 90 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB2 LYS 32 - HE3 LYS 73 OK 34 90 - 38 - 2.9/1603=3, 2.9/1638=2...(16) HB2 LYS 13 - HE3 LYS 75 OK 33 100 - 33 - 3.0/1028=3, ~1028=2...(4) HB2 LYS 13 - HE2 LYS 75 OK 33 100 - 33 - 3.0/1028=3, ~1028=2...(4) HB3 LYS 73 - HE3 LYS 75 OK 33 97 - 34 - 2.9/6146=2, 2.9/2997=1...(4) HB3 LYS 73 - HE2 LYS 75 OK 33 97 - 34 - 2.9/6146=2, 2.9/2996=1, ~6146=1 HB3 LYS 75 - HE3 LYS 13 OK 32 97 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 13 OK 31 97 - 33 - 1021/3.8=3, ~3073=1...(12) HB3 LYS 75 - HE2 LYS 39 OK 26 89 - 30 - 1865/3.6=3, 1875/3.6=3...(9) HB3 LYS 39 - HE3 LYS 13 OK 25 96 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 75 - HE3 LYS 39 OK 25 85 - 30 - 1865/3.6=3, 1875/3.6=3...(9) HB3 LYS 39 - HE2 LYS 13 OK 25 96 - 26 - 1021/3.8=2, 2.9/1880=1...(7) HB3 LYS 73 - HE3 LYS 32 OK 24 96 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 73 - HE2 LYS 32 OK 24 95 - 25 - 2.9/6146=1, 1596/3.9=1 HB3 LYS 75 - HE2 LYS 73 OK 24 99 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 75 - HE3 LYS 73 OK 24 99 - 24 - 2982/3.7=1, 3.0/3075=1 HB3 LYS 39 - HE2 LYS 73 OK 22 98 - 22 - 2.9/1870=1 HB3 LYS 39 - HE3 LYS 73 OK 22 98 - 22 - HB3 LYS 73 - HE3 LYS 13 OK 21 93 - 22 - 1021/3.8=2 HB3 LYS 73 - HE2 LYS 13 OK 21 92 - 22 - 1021/3.8=2 HB3 LYS 39 - HE3 LYS 32 OK 18 99 - 18 - HB3 LYS 39 - HE2 LYS 32 OK 18 98 - 18 - HB2 LYS 85 - HE3 LYS 75 OK 17 92 - 19 - HB2 LYS 85 - HE2 LYS 75 OK 17 92 - 19 - HB3 LYS 32 - HE3 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE3 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 LYS 32 - HE2 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB3 LYS 32 - HE2 LYS 75 OK 13 93 - 14 - 2.9/1603=1, 2.9/1593=1 HB2 PRO 34 - HE3 LYS 32 OK 13 97 - 14 - 2.3/4863=1, ~4863=1...(5) HB2 PRO 34 - HE2 LYS 32 OK 13 97 - 14 - 2.3/4863=1, ~4863=1...(5) HB2 LYS 85 - HE3 LYS 13 OK 13 87 - 15 - 1021/3.8=2, 1011/5.2=1 HB2 LYS 85 - HE2 LYS 13 OK 13 86 - 15 - 1021/3.8=2, 1011/5.2=1 HB3 LYS 73 - HE2 LYS 39 OK 13 83 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HB3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HB3 LYS 73 - HE3 LYS 39 OK 12 80 - 15 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE2 LYS 39 OK 12 78 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE2 LYS 39 OK 12 78 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 LYS 32 - HE3 LYS 39 OK 12 74 - 16 - 1865/3.6=1, 1875/3.6=1 HB3 LYS 32 - HE3 LYS 39 OK 12 74 - 16 - 1865/3.6=1, 1875/3.6=1 HB2 ARG 69 - HE3 LYS 75 OK 12 92 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 ARG 69 - HE2 LYS 75 OK 12 92 - 13 - 2795/3.5=2, 2795/3.5=2 HB2 LYS 13 - HE2 LYS 73 OK 12 99 - 12 - HB2 LYS 13 - HE3 LYS 73 OK 12 99 - 12 - HB2 ARG 54 - HE2 LYS 39 OK 11 63 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 LYS 85 - HE2 LYS 73 OK 11 89 - 13 - HB2 LYS 13 - HE2 LYS 39 OK 11 88 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 LYS 85 - HE3 LYS 73 OK 11 89 - 13 - HB2 LYS 13 - HE3 LYS 39 OK 11 85 - 12 - 1875/3.6=1, 1865/3.6=1 HB2 ARG 54 - HE3 LYS 39 OK 11 60 - 18 - 2310/3.6=2, 1875/3.6=2...(5) HB2 ARG 54 - HE3 LYS 32 poor 10 76 - 13 - 1597/3.9=2, 1586/3.9=1 HB2 ARG 54 - HE2 LYS 32 poor 10 76 - 13 - 1597/3.9=2, 1586/3.9=1 HB3 LYS 32 - HE3 LYS 13 lone 9 88 - 10 - HB2 LYS 32 - HE3 LYS 13 lone 9 88 - 10 - HB3 LYS 32 - HE2 LYS 13 lone 9 87 - 10 - HB2 LYS 32 - HE2 LYS 13 lone 9 87 - 10 - HG2 PRO 34 - HE3 LYS 32 poor 9 61 - 14 - ~5567=1, 1.8/5567=1...(5) HG2 PRO 34 - HE2 LYS 32 poor 9 60 - 14 - ~5567=1, 1.8/5567=1...(5) HB2 PRO 34 - HE2 LYS 39 poor 8 85 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 PRO 34 - HE3 LYS 39 poor 8 81 - 10 - 1865/3.6=2, 1875/3.6=1, ~5209=1 HB2 LEU 57 - HE2 LYS 73 lone 8 78 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE3 LYS 73 lone 8 77 - 10 - 3.8/5745=1, 3.1/4604=1 HB2 LEU 57 - HE3 LYS 32 lone 7 79 - 9 - 3.1/4604=1 HB2 LEU 57 - HE2 LYS 32 lone 7 78 - 9 - 3.1/4604=1 HB2 LYS 13 - HE3 LYS 32 lone 7 99 - 6 - HB2 LYS 13 - HE2 LYS 32 lone 7 99 - 6 - HB3 ARG 84 - HE2 LYS 73 lone 6 89 - 7 - HB3 ARG 84 - HE3 LYS 73 lone 6 89 - 7 - HB2 ARG 69 - HE2 LYS 73 lone 6 89 - 7 - 2797/3.7=2 HB2 ARG 69 - HE3 LYS 73 lone 6 89 - 7 - 2797/3.7=2 HB2 LYS 83 - HE3 LYS 75 lone 6 99 - 6 - HB2 LYS 83 - HE2 LYS 75 lone 6 99 - 6 - HB2 LEU 57 - HE3 LYS 13 lone 6 75 - 8 - HB2 LEU 57 - HE2 LYS 13 lone 6 74 - 8 - HB ILE 33 - HE3 LYS 32 lone 5 83 - 7 - 4219/3.9=2, 1587/3.9=1 HB ILE 33 - HE3 LYS 13 lone 5 79 - 7 - 1021/3.8=1, 1655/3.8=1 HB ILE 33 - HE2 LYS 32 lone 5 82 - 7 - 4219/3.9=2, 1587/3.9=1 HB ILE 33 - HE2 LYS 13 lone 5 79 - 7 - 1021/3.8=1, 1655/3.8=1 HB2 PRO 34 - HE2 LYS 73 lone 5 97 - 5 - HG2 PRO 34 - HE2 LYS 39 lone 5 50 - 10 - ~5209=1, 1865/3.6=1 HB2 PRO 34 - HE3 LYS 73 lone 5 96 - 5 - HB2 ARG 69 - HE3 LYS 13 lone 5 87 - 5 - 1021/3.8=1 HB2 LEU 57 - HE3 LYS 75 lone 5 81 - 6 - HB2 LEU 57 - HE2 LYS 75 lone 5 81 - 6 - HB2 ARG 69 - HE2 LYS 13 lone 5 86 - 5 - 1021/3.8=1 HG2 PRO 34 - HE3 LYS 39 lone 5 47 - 10 - ~5209=1, 1865/3.6=1 HB2 LYS 85 - HE2 LYS 39 lone 4 77 - 5 - HB2 LEU 57 - HE2 LYS 39 lone 4 65 - 6 - HB2 LYS 85 - HE3 LYS 39 lone 4 73 - 5 - HB2 ARG 69 - HE2 LYS 39 lone 4 77 - 5 - HB2 LYS 85 - HE3 LYS 32 lone 4 90 - 4 - HB2 LYS 85 - HE2 LYS 32 lone 4 89 - 4 - HB2 LEU 57 - HE3 LYS 39 lone 4 62 - 6 - HB2 LYS 83 - HE2 LYS 73 lone 4 98 - 4 - HB2 LYS 83 - HE3 LYS 73 lone 4 97 - 4 - HB2 ARG 69 - HE3 LYS 39 lone 4 73 - 5 - HB2 ARG 69 - HE3 LYS 32 lone 4 90 - 4 - HB2 ARG 69 - HE2 LYS 32 lone 4 89 - 4 - HB2 LYS 83 - HE3 LYS 13 lone 3 96 - 3 - HB2 LYS 83 - HE2 LYS 13 lone 3 95 - 3 - HB3 ARG 84 - HE3 LYS 32 lone 3 90 - 4 - HB3 ARG 84 - HE2 LYS 32 lone 3 89 - 4 - HB2 LYS 83 - HE2 LYS 39 lone 3 87 - 4 - HB2 PRO 34 - HE3 LYS 75 lone 3 99 - 3 - HB2 PRO 34 - HE2 LYS 75 lone 3 99 - 3 - HG2 PRO 34 - HE2 LYS 73 lone 3 60 - 5 - HB2 ARG 54 - HE2 LYS 73 lone 3 76 - 4 - HB2 ARG 54 - HE3 LYS 73 lone 3 75 - 4 - HB2 LYS 83 - HE3 LYS 39 lone 3 83 - 4 - HG2 PRO 34 - HE3 LYS 73 lone 3 60 - 5 - HB2 ARG 54 - HE3 LYS 75 lone 3 78 - 3 - HB2 ARG 54 - HE2 LYS 75 lone 3 78 - 3 - HB3 ARG 84 - HE2 LYS 39 lone 3 77 - 3 - HB2 PRO 34 - HE3 LYS 13 lone 3 95 - 3 - HB2 PRO 34 - HE2 LYS 13 lone 3 94 - 3 - HB3 ARG 84 - HE3 LYS 39 lone 2 73 - 3 - HB3 ARG 82 - HE2 LYS 39 lone 2 63 - 4 - HB3 ARG 82 - HE2 LYS 73 lone 2 76 - 3 - HB3 ARG 82 - HE3 LYS 73 lone 2 75 - 3 - HB ILE 33 - HE2 LYS 39 lone 2 70 - 3 - HB3 ARG 82 - HE3 LYS 39 lone 2 60 - 3 - HB3 ARG 84 - HE2 LYS 75 lone 2 92 - 2 - HB3 ARG 84 - HE3 LYS 75 lone 2 92 - 2 - HB ILE 33 - HE3 LYS 39 lone 2 66 - 3 - HB ILE 33 - HE3 LYS 75 lone 2 85 - 2 - HB ILE 33 - HE2 LYS 75 lone 2 85 - 2 - HG2 PRO 34 - HE3 LYS 75 lone 2 63 - 3 - HG2 PRO 34 - HE2 LYS 75 lone 2 63 - 3 - HB3 ARG 82 - HE3 LYS 32 lone 2 76 - 2 - HB3 ARG 82 - HE2 LYS 32 lone 2 76 - 2 - HB ILE 33 - HE2 LYS 73 lone 2 82 - 2 - HB ILE 33 - HE3 LYS 73 lone 2 81 - 2 - HB2 LYS 83 - HE3 LYS 32 lone 2 98 - 2 - HB2 LYS 83 - HE2 LYS 32 lone 2 98 - 2 - HB3 ARG 84 - HE3 LYS 13 lone 1 87 - 2 - HB3 ARG 84 - HE2 LYS 13 lone 1 86 - 2 - HB2 ARG 54 - HE3 LYS 13 lone 1 73 - 2 - HB2 ARG 54 - HE2 LYS 13 lone 1 72 - 2 - HB3 ARG 82 - HE3 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HE2 LYS 75 lone 1 78 - 2 - HB3 ARG 82 - HE3 LYS 13 lone 1 73 - 2 - HB3 ARG 82 - HE2 LYS 13 lone 1 72 - 2 - HG2 PRO 34 - HE3 LYS 13 lone 1 58 - 2 - HG2 PRO 34 - HE2 LYS 13 lone 1 57 - 2 - Peak 3150 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.12 A): 8 out of 120 assignments used, quality = 1.00: * HG2 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG3 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG2 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 73 + HE2 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 73 + HE3 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 39 + HE2 LYS 39 OK 62 77 - 81 - 3.6=66, 1879/3.0=7...(13) HG3 LYS 39 + HE3 LYS 39 OK 59 73 - 81 - 3.6=66, 1879/3.0=7...(13) HG3 LYS 39 - HE3 LYS 75 OK 33 92 - 36 - 1880/1.8=2, 1.8/1870=2...(11) HG3 LYS 39 - HE2 LYS 75 OK 33 92 - 36 - 1.8/1870=2, 1880/1.8=2...(11) HG3 LYS 73 - HE3 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2997=1 HG3 LYS 73 - HE2 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 75 - HE3 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE2 LYS 39 OK 25 89 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE2 LYS 39 OK 25 89 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 39 OK 24 85 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 24 85 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 73 - HE3 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 73 - HE2 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 39 - HE3 LYS 13 OK 18 87 - 20 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 18 86 - 20 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 73 OK 17 89 - 20 - HG3 LYS 39 - HE3 LYS 73 OK 17 89 - 20 - HG3 LYS 73 - HE3 LYS 13 OK 17 97 - 18 - HG3 LYS 73 - HE2 LYS 13 OK 17 97 - 18 - HG3 LYS 39 - HE3 LYS 32 OK 14 90 - 16 - HG3 LYS 39 - HE2 LYS 32 OK 14 89 - 16 - HG2 LYS 85 - HE2 LYS 75 OK 13 96 - 14 - HG2 LYS 85 - HE3 LYS 75 OK 13 96 - 14 - HG2 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG3 LYS 73 - HE2 LYS 39 OK 11 88 - 12 - 1867/3.6=1 HG2 LYS 85 - HE2 LYS 73 OK 11 93 - 12 - HG2 LYS 85 - HE3 LYS 73 OK 11 93 - 12 - HG3 LYS 73 - HE3 LYS 39 OK 11 85 - 13 - 1867/3.6=1 HB3 ARG 69 - HE2 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HG2 LYS 85 - HE3 LYS 13 lone 9 91 - 10 - HG2 LYS 85 - HE2 LYS 13 lone 9 90 - 10 - HG3 ARG 69 - HE3 LYS 75 lone 8 95 - 9 - 2818/5.0=1 HG3 ARG 69 - HE2 LYS 75 lone 8 94 - 9 - 2818/5.0=1 HB3 ARG 69 - HE2 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 6 92 - 6 - 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HB3 ARG 69 - HE3 LYS 32 lone 4 99 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 39 lone 4 87 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 4 84 - 4 - QB ALA 77 - HE2 LYS 75 lone 3 93 - 4 - QB ALA 77 - HE3 LYS 75 lone 3 93 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 3 94 - 3 - HG2 LYS 85 - HE2 LYS 32 lone 3 93 - 3 - HG3 ARG 69 - HE3 LYS 32 lone 3 93 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 3 92 - 4 - QB ALA 53 - HE2 LYS 73 lone 3 99 - 3 - QB ALA 53 - HE3 LYS 73 lone 3 98 - 3 - QB ALA 53 - HE2 LYS 39 lone 3 88 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 96 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 96 - 3 - QB ALA 53 - HE3 LYS 39 lone 3 84 - 3 - HG2 LYS 83 - HE3 LYS 75 lone 3 81 - 3 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 3 81 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 100 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 3 77 - 3 - HG3 ARG 69 - HE2 LYS 39 lone 3 80 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 76 - 3 - QB ALA 78 - HE2 LYS 73 lone 2 99 - 2 - QB ALA 78 - HE3 LYS 73 lone 2 99 - 2 - HG3 ARG 69 - HE3 LYS 13 lone 2 89 - 2 - HG3 ARG 69 - HE2 LYS 13 lone 2 89 - 2 - HG2 LYS 83 - HE2 LYS 73 lone 2 78 - 3 - HG2 LYS 83 - HE3 LYS 73 lone 2 77 - 3 - QB ALA 53 - HE3 LYS 32 lone 2 99 - 2 - QB ALA 53 - HE2 LYS 32 lone 2 99 - 2 - QB ALA 77 - HE2 LYS 73 lone 2 91 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 90 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 100 - 1 - QB ALA 53 - HE2 LYS 75 lone 1 100 - 1 - QB ALA 78 - HE2 LYS 39 lone 1 88 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 85 - 2 - QB ALA 20 - HE3 LYS 75 lone 1 96 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 96 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 75 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 74 - 2 - HG2 LYS 83 - HE2 LYS 39 lone 1 65 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 78 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 62 - 2 - QB ALA 77 - HE3 LYS 39 lone 1 74 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 99 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 99 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 79 - 1 - HG2 LYS 83 - HE2 LYS 32 lone 1 78 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 88 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 87 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 81 - 1 - QB ALA 20 - HE2 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 77 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 92 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 91 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 94 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 91 - 1 - QB ALA 20 - HE2 LYS 13 lone 0 90 - 1 - Peak 3151 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.12 A): 8 out of 120 assignments used, quality = 1.00: HG2 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) * HG3 LYS 75 + HE3 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3125=2...(23) HG2 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 75 + HE2 LYS 75 OK 83 100 - 83 - 3.5=71, 2.9/3135=2...(23) HG3 LYS 73 + HE2 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 73 + HE3 LYS 73 OK 69 99 - 70 - 3.7=60, 2.9/1641=2...(6) HG3 LYS 39 + HE2 LYS 39 OK 62 77 - 81 - 3.6=66, 1879/3.0=7...(13) HG3 LYS 39 + HE3 LYS 39 OK 59 73 - 81 - 3.6=66, 1879/3.0=7...(13) HG3 LYS 39 - HE3 LYS 75 OK 33 92 - 36 - 1880/1.8=2, 1.8/1870=2...(11) HG3 LYS 39 - HE2 LYS 75 OK 33 92 - 36 - 1.8/1870=2, 1880/1.8=2...(11) HG3 LYS 73 - HE3 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2997=1 HG3 LYS 73 - HE2 LYS 75 OK 30 100 - 30 - 6146=1, 6146/1.8=1, 1.8/2996=1 HG3 LYS 75 - HE3 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE3 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG3 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 13 OK 27 97 - 28 - 3102/2.9=1, 3102/2.9=1 HG2 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG3 LYS 75 - HE2 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE2 LYS 39 OK 25 89 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE2 LYS 39 OK 25 89 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 73 OK 25 99 - 25 - 2993/3.7=1 HG2 LYS 75 - HE3 LYS 39 OK 24 85 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 75 - HE3 LYS 39 OK 24 85 - 28 - 1867/3.6=3, 3108/4.7=1 HG3 LYS 73 - HE3 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 73 - HE2 LYS 32 OK 21 99 - 22 - 6146=1, 3004/3.0=1, 3004/3.0=1 HG3 LYS 39 - HE3 LYS 13 OK 18 87 - 20 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 13 OK 18 86 - 20 - 1881/1.8=1, 1.8/1870=1...(5) HG3 LYS 39 - HE2 LYS 73 OK 17 89 - 20 - HG3 LYS 39 - HE3 LYS 73 OK 17 89 - 20 - HG3 LYS 73 - HE3 LYS 13 OK 17 97 - 18 - HG3 LYS 73 - HE2 LYS 13 OK 17 97 - 18 - HG3 LYS 39 - HE3 LYS 32 OK 14 90 - 16 - HG3 LYS 39 - HE2 LYS 32 OK 14 89 - 16 - HG2 LYS 85 - HE2 LYS 75 OK 13 96 - 14 - HG2 LYS 85 - HE3 LYS 75 OK 13 96 - 14 - HG2 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE3 LYS 32 OK 13 99 - 13 - HG3 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG2 LYS 75 - HE2 LYS 32 OK 13 99 - 13 - HG3 LYS 73 - HE2 LYS 39 OK 11 88 - 12 - 1867/3.6=1 HG2 LYS 85 - HE2 LYS 73 OK 11 93 - 12 - HG2 LYS 85 - HE3 LYS 73 OK 11 93 - 12 - HG3 LYS 73 - HE3 LYS 39 OK 11 85 - 13 - 1867/3.6=1 HB3 ARG 69 - HE2 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HB3 ARG 69 - HE3 LYS 75 OK 11 100 - 11 - 2802/5.0=1 HG2 LYS 85 - HE3 LYS 13 lone 9 91 - 10 - HG2 LYS 85 - HE2 LYS 13 lone 9 90 - 10 - HG3 ARG 69 - HE3 LYS 75 lone 8 95 - 9 - 2818/5.0=1 HG3 ARG 69 - HE2 LYS 75 lone 8 94 - 9 - 2818/5.0=1 HB3 ARG 69 - HE2 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HB3 ARG 69 - HE3 LYS 73 lone 7 98 - 7 - 2802/4.7=1 HG3 ARG 69 - HE2 LYS 73 lone 6 92 - 6 - 2818/4.7=1 HG3 ARG 69 - HE3 LYS 73 lone 6 91 - 6 - 2818/4.7=1 HB3 ARG 69 - HE3 LYS 32 lone 4 99 - 4 - HB3 ARG 69 - HE2 LYS 32 lone 4 98 - 4 - HB3 ARG 69 - HE2 LYS 39 lone 4 87 - 4 - HB3 ARG 69 - HE3 LYS 39 lone 4 84 - 4 - QB ALA 77 - HE2 LYS 75 lone 3 93 - 4 - QB ALA 77 - HE3 LYS 75 lone 3 93 - 4 - HG2 LYS 85 - HE3 LYS 32 lone 3 94 - 3 - HG2 LYS 85 - HE2 LYS 32 lone 3 93 - 3 - HG3 ARG 69 - HE3 LYS 32 lone 3 93 - 4 - HG3 ARG 69 - HE2 LYS 32 lone 3 92 - 4 - QB ALA 53 - HE2 LYS 73 lone 3 99 - 3 - QB ALA 53 - HE3 LYS 73 lone 3 98 - 3 - QB ALA 53 - HE2 LYS 39 lone 3 88 - 3 - HB3 ARG 69 - HE3 LYS 13 lone 3 96 - 3 - HB3 ARG 69 - HE2 LYS 13 lone 3 96 - 3 - QB ALA 53 - HE3 LYS 39 lone 3 84 - 3 - HG2 LYS 83 - HE3 LYS 75 lone 3 81 - 3 - HG2 LYS 83 - HE2 LYS 75 lone 3 81 - 3 - HG2 LYS 85 - HE2 LYS 39 lone 3 81 - 3 - QB ALA 78 - HE2 LYS 75 lone 3 100 - 3 - QB ALA 78 - HE3 LYS 75 lone 3 100 - 3 - HG2 LYS 85 - HE3 LYS 39 lone 3 77 - 3 - HG3 ARG 69 - HE2 LYS 39 lone 3 80 - 3 - HG3 ARG 69 - HE3 LYS 39 lone 2 76 - 3 - QB ALA 78 - HE2 LYS 73 lone 2 99 - 2 - QB ALA 78 - HE3 LYS 73 lone 2 99 - 2 - HG3 ARG 69 - HE3 LYS 13 lone 2 89 - 2 - HG3 ARG 69 - HE2 LYS 13 lone 2 89 - 2 - HG2 LYS 83 - HE2 LYS 73 lone 2 78 - 3 - HG2 LYS 83 - HE3 LYS 73 lone 2 77 - 3 - QB ALA 53 - HE3 LYS 32 lone 2 99 - 2 - QB ALA 53 - HE2 LYS 32 lone 2 99 - 2 - QB ALA 77 - HE2 LYS 73 lone 2 91 - 2 - QB ALA 77 - HE3 LYS 73 lone 2 90 - 2 - QB ALA 53 - HE3 LYS 75 lone 1 100 - 1 - QB ALA 53 - HE2 LYS 75 lone 1 100 - 1 - QB ALA 78 - HE2 LYS 39 lone 1 88 - 2 - QB ALA 78 - HE3 LYS 39 lone 1 85 - 2 - QB ALA 20 - HE3 LYS 75 lone 1 96 - 1 - QB ALA 20 - HE2 LYS 75 lone 1 96 - 1 - HG2 LYS 83 - HE3 LYS 13 lone 1 75 - 2 - HG2 LYS 83 - HE2 LYS 13 lone 1 74 - 2 - HG2 LYS 83 - HE2 LYS 39 lone 1 65 - 2 - QB ALA 77 - HE2 LYS 39 lone 1 78 - 1 - HG2 LYS 83 - HE3 LYS 39 lone 1 62 - 2 - QB ALA 77 - HE3 LYS 39 lone 1 74 - 1 - QB ALA 78 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE2 LYS 13 lone 1 97 - 1 - QB ALA 78 - HE3 LYS 32 lone 1 99 - 1 - QB ALA 78 - HE2 LYS 32 lone 1 99 - 1 - HG2 LYS 83 - HE3 LYS 32 lone 1 79 - 1 - HG2 LYS 83 - HE2 LYS 32 lone 1 78 - 1 - QB ALA 77 - HE3 LYS 13 lone 1 88 - 1 - QB ALA 77 - HE2 LYS 13 lone 1 87 - 1 - QB ALA 20 - HE2 LYS 39 lone 1 81 - 1 - QB ALA 20 - HE2 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 73 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 39 lone 1 77 - 1 - QB ALA 77 - HE3 LYS 32 lone 1 92 - 1 - QB ALA 77 - HE2 LYS 32 lone 1 91 - 1 - QB ALA 53 - HE3 LYS 13 lone 1 97 - 1 - QB ALA 53 - HE2 LYS 13 lone 1 96 - 1 - QB ALA 20 - HE3 LYS 32 lone 1 94 - 1 - QB ALA 20 - HE2 LYS 32 lone 1 93 - 1 - QB ALA 20 - HE3 LYS 13 lone 1 91 - 1 - QB ALA 20 - HE2 LYS 13 lone 0 90 - 1 - Peak 3152 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 80 assignments used, quality = 1.00: HD3 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) * HD2 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3135/1.8=2...(11) HD3 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3135/1.8=2...(11) HD2 LYS 13 + HE3 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE3 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE2 LYS 13 OK 72 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE2 LYS 13 OK 72 97 - 75 - 2.9=66, 1053/3.8=3...(13) HB3 LYS 13 - HE3 LYS 13 OK 27 83 - 33 - 5.2=12, 1036/3.8=2...(5) HB3 LYS 13 - HE2 LYS 13 OK 27 82 - 33 - 5.2=12, 1036/3.8=2...(5) HD2 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HD2 LYS 75 - HE3 LYS 13 poor 10 97 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD3 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 9 99 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 9 99 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 89 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 89 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 7 85 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 7 85 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 99 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 99 - 7 - HB3 LYS 13 - HE2 LYS 73 lone 6 86 - 6 - HB3 LYS 13 - HE3 LYS 73 lone 6 85 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 89 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 89 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 85 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 85 - 6 - HB3 LYS 13 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HB3 LYS 13 - HE3 LYS 39 lone 4 70 - 6 - HD2 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 87 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 86 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 96 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 2 87 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 83 - 3 - HG LEU 29 - HE3 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE2 LYS 39 lone 2 83 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 92 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 80 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 99 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 99 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 95 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 95 - 2 - HB3 GLN 61 - HE3 LYS 32 lone 1 99 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 98 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 95 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 98 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 98 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 95 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 98 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 98 - 0 - HB3 GLN 61 - HE2 LYS 39 lone 0 87 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 84 - 0 - Peak 3153 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.56 A): 8 out of 80 assignments used, quality = 1.00: * HD3 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE3 LYS 75 OK 73 100 - 73 - 2.9=66, 3125/1.8=2...(11) HD2 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3135/1.8=2...(11) HD3 LYS 75 + HE2 LYS 75 OK 73 100 - 73 - 2.9=66, 3135/1.8=2...(11) HD2 LYS 13 + HE3 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE3 LYS 13 OK 73 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD2 LYS 13 + HE2 LYS 13 OK 72 97 - 75 - 2.9=66, 1053/3.8=3...(13) HD3 LYS 13 + HE2 LYS 13 OK 72 97 - 75 - 2.9=66, 1053/3.8=3...(13) HB3 LYS 13 - HE3 LYS 13 OK 27 83 - 33 - 5.2=12, 1036/3.8=2...(5) HB3 LYS 13 - HE2 LYS 13 OK 27 82 - 33 - 5.2=12, 1036/3.8=2...(5) HD2 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE3 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD3 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HD2 LYS 13 - HE2 LYS 75 OK 19 100 - 19 - 2.9/1028=1 HB3 LYS 13 - HE3 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HB3 LYS 13 - HE2 LYS 75 OK 16 89 - 19 - 3.0/1028=1 HD2 LYS 75 - HE3 LYS 13 poor 10 97 - 10 - HD3 LYS 75 - HE3 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD3 LYS 75 - HE2 LYS 13 poor 10 97 - 10 - HD2 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE2 LYS 73 lone 9 99 - 9 - HD3 LYS 75 - HE3 LYS 73 lone 9 99 - 9 - HD2 LYS 75 - HE3 LYS 73 lone 9 99 - 9 - HD2 LYS 75 - HE2 LYS 39 lone 8 89 - 9 - HD3 LYS 75 - HE2 LYS 39 lone 8 89 - 9 - HD2 LYS 75 - HE3 LYS 39 lone 7 85 - 9 - HD3 LYS 75 - HE3 LYS 39 lone 7 85 - 9 - HD2 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE2 LYS 73 lone 6 99 - 7 - HD3 LYS 13 - HE3 LYS 73 lone 6 99 - 7 - HD2 LYS 13 - HE3 LYS 73 lone 6 99 - 7 - HB3 LYS 13 - HE2 LYS 73 lone 6 86 - 6 - HB3 LYS 13 - HE3 LYS 73 lone 6 85 - 7 - HD2 LYS 13 - HE2 LYS 39 lone 5 89 - 6 - HD3 LYS 13 - HE2 LYS 39 lone 5 89 - 6 - HD3 LYS 13 - HE3 LYS 39 lone 5 85 - 6 - HD2 LYS 13 - HE3 LYS 39 lone 5 85 - 6 - HB3 LYS 13 - HE2 LYS 39 lone 4 73 - 6 - HD3 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE3 LYS 32 lone 4 99 - 4 - HD2 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HD3 LYS 75 - HE2 LYS 32 lone 4 99 - 4 - HB3 LYS 13 - HE3 LYS 39 lone 4 70 - 6 - HD2 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE3 LYS 32 lone 3 99 - 3 - HD2 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HD3 LYS 13 - HE2 LYS 32 lone 3 99 - 3 - HB3 LYS 13 - HE3 LYS 32 lone 3 87 - 3 - HB3 LYS 13 - HE2 LYS 32 lone 3 86 - 3 - HB3 GLN 61 - HE3 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE2 LYS 75 lone 3 100 - 3 - HB3 GLN 61 - HE3 LYS 13 lone 3 96 - 3 - HB3 GLN 61 - HE2 LYS 13 lone 3 96 - 3 - HG2 ARG 23 - HE2 LYS 39 lone 2 87 - 3 - HG2 ARG 23 - HE3 LYS 39 lone 2 83 - 3 - HG LEU 29 - HE3 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE2 LYS 75 lone 2 97 - 2 - HG LEU 29 - HE3 LYS 13 lone 2 93 - 2 - HG LEU 29 - HE2 LYS 39 lone 2 83 - 2 - HG LEU 29 - HE2 LYS 13 lone 2 92 - 2 - HG LEU 29 - HE3 LYS 39 lone 2 80 - 2 - HG2 ARG 23 - HE2 LYS 75 lone 2 99 - 2 - HG2 ARG 23 - HE3 LYS 75 lone 2 99 - 2 - HG LEU 29 - HE2 LYS 73 lone 2 95 - 2 - HG LEU 29 - HE3 LYS 73 lone 2 95 - 2 - HB3 GLN 61 - HE3 LYS 32 lone 1 99 - 1 - HB3 GLN 61 - HE2 LYS 32 lone 1 98 - 1 - HG2 ARG 23 - HE3 LYS 13 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 13 lone 1 95 - 1 - HB3 GLN 61 - HE2 LYS 73 lone 1 98 - 1 - HB3 GLN 61 - HE3 LYS 73 lone 1 98 - 1 - HG LEU 29 - HE3 LYS 32 lone 1 96 - 1 - HG2 ARG 23 - HE2 LYS 73 lone 1 98 - 1 - HG LEU 29 - HE2 LYS 32 lone 1 95 - 1 - HG2 ARG 23 - HE3 LYS 73 lone 1 97 - 1 - HG2 ARG 23 - HE3 LYS 32 lone 0 98 - 0 - HG2 ARG 23 - HE2 LYS 32 lone 0 98 - 0 - HB3 GLN 61 - HE2 LYS 39 lone 0 87 - 0 - HB3 GLN 61 - HE3 LYS 39 lone 0 84 - 0 - Peak 3154 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 75 + HE3 LYS 75 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 98 98 - 100 HE2 LYS 73 + HE2 LYS 73 OK 97 97 - 100 HE2 LYS 32 + HE2 LYS 32 OK 97 97 - 100 HE3 LYS 13 + HE3 LYS 13 OK 96 96 - 100 HE3 LYS 73 + HE3 LYS 73 OK 96 96 - 100 HE2 LYS 13 + HE2 LYS 13 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 75 75 - 100 HE3 LYS 39 + HE3 LYS 39 OK 68 68 - 100 Reference assignment not found: HE2 LYS 75 - HE3 LYS 75 Peak 3155 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 75 + HE3 LYS 75 OK 100 100 - 100 HE2 LYS 75 + HE2 LYS 75 OK 100 100 - 100 HE3 LYS 32 + HE3 LYS 32 OK 98 98 - 100 HE2 LYS 73 + HE2 LYS 73 OK 97 97 - 100 HE2 LYS 32 + HE2 LYS 32 OK 97 97 - 100 HE3 LYS 73 + HE3 LYS 73 OK 96 96 - 100 HE3 LYS 13 + HE3 LYS 13 OK 96 96 - 100 HE2 LYS 13 + HE2 LYS 13 OK 95 95 - 100 HE2 LYS 39 + HE2 LYS 39 OK 73 73 - 100 HE3 LYS 39 + HE3 LYS 39 OK 66 66 - 100 Peak 3156 from cnoeabs.peaks (7.96, 3.97, 62.83 ppm; 3.75 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 76 + HA VAL 76 OK 100 100 - 100 - 3.0=100 H ARG 69 - HA VAL 76 OK 35 76 - 47 - 940/3.0=7, 5379=6...(20) H ARG 70 - HA VAL 76 OK 34 99 - 35 - 295/3.0=5, 4.3/5047=4...(13) H LEU 29 - HA VAL 76 OK 26 99 - 27 - 77=5, 908/3.0=3...(9) H LYS 32 - HA VAL 76 OK 18 85 - 21 - 561=3, 4.7/4203=1...(9) H ALA 30 - HA VAL 76 OK 10 76 - 13 - 79/3.0=2, 4.6/77=2...(5) H ALA 63 - HA VAL 76 poor 9 87 - 10 - 4.7/4687=1 H ASP 67 - HA VAL 76 poor 6 60 - 10 - 4.6/5809=1, 277=1...(4) Peak 3157 from cnoeabs.peaks (3.97, 3.97, 62.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 76 + HA VAL 76 OK 100 100 - 100 Peak 3158 from cnoeabs.peaks (2.04, 3.97, 62.83 ppm; 3.42 A): 1 out of 16 assignments used, quality = 1.00: * HB VAL 76 + HA VAL 76 OK 100 100 - 100 - 3.0=100 HD2 ARG 69 - HA VAL 76 OK 40 93 - 43 - 813/3.0=5, 3.9/5047=4...(26) HD3 ARG 69 - HA VAL 76 OK 40 93 - 43 - 813/3.0=5, 3.9/5047=4...(26) HB3 MET 31 - HA VAL 76 OK 15 68 - 22 - 1.8/4203=2, 3162=2...(9) HB2 GLU 50 - HA VAL 76 OK 13 100 - 13 - 2186=2, 3.0/2198=1...(5) HB3 GLU 50 - HA VAL 76 OK 13 100 - 13 - 2186=2, 3.0/2198=1...(5) HB VAL 90 - HA VAL 76 lone 6 68 - 9 - HB2 GLU 25 - HA VAL 76 lone 5 98 - 5 - HB3 GLU 25 - HA VAL 76 lone 5 97 - 5 - HG2 PRO 44 - HA VAL 76 lone 5 100 - 5 - HB3 GLU 19 - HA VAL 76 lone 3 99 - 3 - HB3 PRO 56 - HA VAL 76 lone 2 95 - 2 - HB2 GLU 87 - HA VAL 76 lone 2 95 - 2 - HG2 PRO 56 - HA VAL 76 lone 2 99 - 2 - HB3 GLN 91 - HA VAL 76 lone 1 100 - 1 - HB VAL 45 - HA VAL 76 lone 1 81 - 1 - Peak 3159 from cnoeabs.peaks (0.92, 3.97, 62.83 ppm; 2.91 A): 2 out of 10 assignments used, quality = 0.97: QG2 VAL 76 + HA VAL 76 OK 83 100 - 83 - 3.2=75, 4.3/349=8...(9) * QG1 VAL 76 + HA VAL 76 OK 83 100 - 83 - 3.2=75, 4.3/349=8...(9) HG12 ILE 68 - HA VAL 76 OK 13 100 - 13 - 815/3.0=2, 5.0/5379=2, ~5817=1 QG2 VAL 41 - HA VAL 76 OK 12 93 - 13 - 4336=2, 815/3.0=2, 2.1/4339=1 QG2 ILE 40 - HA VAL 76 lone 10 98 - 10 - 814/3.0=2 QD2 LEU 62 - HA VAL 76 lone 5 98 - 5 - QG1 VAL 90 - HA VAL 76 lone 5 81 - 6 - QG2 VAL 90 - HA VAL 76 lone 5 78 - 6 - QD2 LEU 43 - HA VAL 76 lone 2 73 - 3 - HG LEU 51 - HA VAL 76 lone 2 60 - 3 - Peak 3160 from cnoeabs.peaks (0.92, 3.97, 62.83 ppm; 2.91 A): 2 out of 10 assignments used, quality = 0.97: * QG2 VAL 76 + HA VAL 76 OK 83 100 - 83 - 3.2=75, 4.3/349=8...(9) QG1 VAL 76 + HA VAL 76 OK 83 100 - 83 - 3.2=75, 4.3/349=8...(9) HG12 ILE 68 - HA VAL 76 OK 13 100 - 13 - 815/3.0=2, 5.0/5379=2, ~5817=1 QG2 VAL 41 - HA VAL 76 OK 12 93 - 13 - 4336=2, 815/3.0=2, 2.1/4339=1 QG2 ILE 40 - HA VAL 76 lone 10 98 - 10 - 814/3.0=2 QD2 LEU 62 - HA VAL 76 lone 5 98 - 5 - QG1 VAL 90 - HA VAL 76 lone 5 81 - 6 - QG2 VAL 90 - HA VAL 76 lone 5 78 - 6 - QD2 LEU 43 - HA VAL 76 lone 2 73 - 3 - HG LEU 51 - HA VAL 76 lone 2 60 - 3 - Peak 3161 from cnoeabs.peaks (7.96, 2.04, 32.56 ppm; 3.70 A): 2 out of 24 assignments used, quality = 0.93: * H VAL 76 + HB VAL 76 OK 90 100 - 90 - 4.0=81, 814/2.1=14...(7) H LYS 32 + HB3 MET 31 OK 33 48 - 69 - 4.7=50, 90/3.0=19...(7) H ARG 69 - HB VAL 76 OK 25 76 - 34 - 940/4.0=5, 3156/3.0=4...(13) H ARG 70 - HB VAL 76 OK 23 99 - 24 - 3156/3.0=4, 3.6/4768=3...(9) H LEU 29 - HB3 MET 31 OK 19 62 - 30 - 5525/4.0=8, 3771/3.0=4...(10) H ALA 30 - HB3 MET 31 OK 17 42 - 41 - 86/4.0=10, ~4190=8...(10) H LEU 29 - HB VAL 76 OK 17 99 - 17 - 77/3.0=3, 908/4.0=2...(9) H VAL 76 - HB3 MET 31 OK 12 65 - 19 - 813=3, 3.0/3158=2...(11) H LYS 32 - HB VAL 76 poor 10 85 - 11 - 3156/3.0=2 H ARG 70 - HB3 MET 31 poor 7 62 - 11 - 769/1.8=2, 910/4.0=2...(5) H LEU 29 - HB VAL 90 lone 7 65 - 10 - 4184/3.0=4, 549/2.1=2, 549/2.1=2 H ALA 30 - HB VAL 76 lone 6 76 - 8 - 79/4.0=1, 4841/3.0=1, 5538/4.4=1 H ALA 63 - HB VAL 76 lone 5 87 - 6 - 3156/3.0=1, 259/2.1=1, 259/2.1=1 H VAL 76 - HB VAL 90 lone 5 68 - 7 - H ASP 67 - HB3 MET 31 poor 4 32 - 14 - 3772/1.8=2, 3774/3.0=2...(6) H ALA 63 - HB3 MET 31 lone 4 50 - 8 - 5780/4.0=3, 4685/4.3=2...(4) H ALA 63 - HB VAL 90 lone 3 53 - 6 - 725/3.0=1 H ARG 69 - HB3 MET 31 lone 3 42 - 7 - 940/4.7=1, 86/4.0=1, 293/1.8=1 H ASP 67 - HB VAL 76 lone 2 60 - 4 - H ALA 30 - HB VAL 90 lone 2 44 - 5 - 5387/3.0=2 H ARG 70 - HB VAL 90 lone 2 66 - 3 - H ARG 69 - HB VAL 90 lone 2 44 - 4 - H ASP 67 - HB VAL 90 lone 1 34 - 4 - H LYS 32 - HB VAL 90 lone 1 51 - 1 - Peak 3162 from cnoeabs.peaks (3.97, 2.04, 32.56 ppm; 3.74 A): 1 out of 27 assignments used, quality = 1.00: * HA VAL 76 + HB VAL 76 OK 100 100 - 100 - 3.0=100 HA GLN 61 - HB3 MET 31 OK 39 64 - 61 - ~1535=7, 5232/4.3=7...(24) HA ALA 28 - HB3 MET 31 OK 28 60 - 47 - 5530/3.0=11, 4176/1.8=7...(12) HA ALA 28 - HB VAL 76 OK 18 97 - 19 - 812/4.0=3, 3.0/3985=2...(11) HA GLU 50 - HB3 MET 31 OK 18 64 - 28 - 4203/1.8=3, 2526/3.0=3...(14) HA VAL 76 - HB3 MET 31 OK 17 65 - 26 - 3158=3, 4203/1.8=2...(12) HA2 GLY 72 - HB VAL 76 OK 16 100 - 16 - 4796/2.1=3, 4796/2.1=3...(8) HA LYS 32 - HB3 MET 31 OK 16 61 - 26 - ~90=9, ~3774=4...(8) HA GLU 50 - HB VAL 76 OK 11 100 - 11 - 812/4.0=1, 2182=1 HA ARG 66 - HB3 MET 31 OK 11 61 - 18 - 2677/1.8=3, 3924/4.7=2...(10) HA ARG 66 - HB VAL 76 lone 10 98 - 10 - 812/4.0=2 HA GLN 61 - HB VAL 76 lone 9 100 - 9 - 812/4.0=1 HA LYS 32 - HB VAL 76 lone 9 98 - 9 - 812/4.0=2 HA VAL 76 - HB VAL 90 poor 8 68 - 11 - 3158=1, 3159/2.1=1, 3159/2.1=1 HA2 GLY 21 - HB VAL 76 lone 7 90 - 7 - 349/4.4=1 HA2 GLY 21 - HB3 MET 31 poor 7 53 - 12 - 3.5/4152=2, 1.8/4151=1...(6) HA3 GLY 21 - HB VAL 76 lone 7 89 - 7 - 349/4.4=1 HA3 GLY 21 - HB3 MET 31 poor 6 51 - 12 - 3.5/4152=2, 1.8/4151=1...(6) HA ARG 66 - HB VAL 90 lone 5 64 - 8 - ~5036=1 HA2 GLY 72 - HB3 MET 31 lone 4 64 - 6 - HA ALA 28 - HB VAL 90 lone 2 63 - 3 - HA GLU 50 - HB VAL 90 lone 2 67 - 3 - HA2 GLY 72 - HB VAL 90 lone 1 67 - 1 - HA GLN 61 - HB VAL 90 lone 1 68 - 1 - HA LYS 32 - HB VAL 90 lone 1 64 - 1 - HA2 GLY 21 - HB VAL 90 lone 1 56 - 1 - HA3 GLY 21 - HB VAL 90 lone 1 54 - 1 - Peak 3163 from cnoeabs.peaks (2.04, 2.04, 32.56 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB VAL 76 + HB VAL 76 OK 100 100 - 100 HB VAL 90 - HB VAL 90 OK 39 39 - 100 HB3 MET 31 - HB3 MET 31 OK 37 37 - 100 Peak 3164 from cnoeabs.peaks (0.92, 2.04, 32.56 ppm; 2.95 A): 4 out of 30 assignments used, quality = 1.00: * QG1 VAL 76 + HB VAL 76 OK 100 100 - 100 - 2.1=100 QG2 VAL 76 + HB VAL 76 OK 100 100 - 100 - 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 - 100 - 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 - 100 - 2.1=100 QD2 LEU 43 - HB3 MET 31 poor 9 40 - 23 - ~6121=4, 4389/3.0=3...(12) HG12 ILE 68 - HB VAL 76 lone 9 100 - 9 - 3159/3.0=1, 814/4.0=1 QG2 VAL 41 - HB VAL 76 lone 9 93 - 9 - 5625/16037=2, 4336/3.0=1 QG2 VAL 76 - HB3 MET 31 poor 7 65 - 10 - 3.2/3158=1 QG1 VAL 76 - HB3 MET 31 poor 7 65 - 10 - 3.2/3158=1 QG2 ILE 40 - HB VAL 76 lone 6 98 - 7 - 4326/4.0=1, 3160/3.0=1 QG2 VAL 41 - HB3 MET 31 poor 6 56 - 10 - 1981/1.8=2, 3823/4.0=2...(4) QG1 VAL 90 - HB VAL 76 lone 5 81 - 6 - QG2 VAL 90 - HB VAL 76 lone 5 78 - 6 - QG2 VAL 76 - HB VAL 90 lone 4 68 - 6 - QG1 VAL 76 - HB VAL 90 lone 4 68 - 6 - QD2 LEU 62 - HB VAL 76 lone 4 98 - 4 - HG12 ILE 68 - HB3 MET 31 lone 3 65 - 4 - HG LEU 51 - HB VAL 76 lone 2 60 - 3 - QD2 LEU 43 - HB VAL 76 lone 2 73 - 2 - QD2 LEU 62 - HB VAL 90 lone 2 64 - 2 - HG LEU 51 - HB VAL 90 lone 1 34 - 4 - HG12 ILE 68 - HB VAL 90 lone 1 68 - 1 - QD2 LEU 62 - HB3 MET 31 lone 1 61 - 1 - QG2 ILE 40 - HB3 MET 31 lone 1 61 - 1 - QG2 ILE 40 - HB VAL 90 lone 0 64 - 1 - QG2 VAL 41 - HB VAL 90 lone 0 59 - 1 - HG LEU 51 - HB3 MET 31 lone 0 32 - 1 - QG1 VAL 90 - HB3 MET 31 lone 0 45 - 1 - QG2 VAL 90 - HB3 MET 31 lone 0 44 - 1 - QD2 LEU 43 - HB VAL 90 lone 0 43 - 1 - Peak 3165 from cnoeabs.peaks (0.92, 2.04, 32.56 ppm; 2.95 A): 4 out of 30 assignments used, quality = 1.00: QG1 VAL 76 + HB VAL 76 OK 100 100 - 100 - 2.1=100 * QG2 VAL 76 + HB VAL 76 OK 100 100 - 100 - 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 - 100 - 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 - 100 - 2.1=100 QD2 LEU 43 - HB3 MET 31 poor 9 40 - 23 - ~6121=4, 4389/3.0=3...(12) HG12 ILE 68 - HB VAL 76 lone 9 100 - 9 - 3159/3.0=1, 814/4.0=1 QG2 VAL 41 - HB VAL 76 lone 9 93 - 9 - 5625/16037=2, 4336/3.0=1 QG2 VAL 76 - HB3 MET 31 poor 7 65 - 10 - 3.2/3158=1 QG1 VAL 76 - HB3 MET 31 poor 7 65 - 10 - 3.2/3158=1 QG2 ILE 40 - HB VAL 76 lone 6 98 - 7 - 4326/4.0=1, 3160/3.0=1 QG2 VAL 41 - HB3 MET 31 poor 6 56 - 10 - 1981/1.8=2, 3823/4.0=2...(4) QG1 VAL 90 - HB VAL 76 lone 5 81 - 6 - QG2 VAL 90 - HB VAL 76 lone 5 78 - 6 - QG2 VAL 76 - HB VAL 90 lone 4 68 - 6 - QG1 VAL 76 - HB VAL 90 lone 4 68 - 6 - QD2 LEU 62 - HB VAL 76 lone 4 98 - 4 - HG12 ILE 68 - HB3 MET 31 lone 3 65 - 4 - HG LEU 51 - HB VAL 76 lone 2 60 - 3 - QD2 LEU 43 - HB VAL 76 lone 2 73 - 2 - QD2 LEU 62 - HB VAL 90 lone 2 64 - 2 - HG LEU 51 - HB VAL 90 lone 1 34 - 4 - HG12 ILE 68 - HB VAL 90 lone 1 68 - 1 - QD2 LEU 62 - HB3 MET 31 lone 1 61 - 1 - QG2 ILE 40 - HB3 MET 31 lone 1 61 - 1 - QG2 ILE 40 - HB VAL 90 lone 0 64 - 1 - QG2 VAL 41 - HB VAL 90 lone 0 59 - 1 - HG LEU 51 - HB3 MET 31 lone 0 32 - 1 - QG1 VAL 90 - HB3 MET 31 lone 0 45 - 1 - QG2 VAL 90 - HB3 MET 31 lone 0 44 - 1 - QD2 LEU 43 - HB VAL 90 lone 0 43 - 1 - Peak 3166 from cnoeabs.peaks (7.96, 0.92, 20.62 ppm; 3.48 A): 2 out of 32 assignments used, quality = 0.98: * H VAL 76 + QG1 VAL 76 OK 87 100 - 87 - 3.9=74, 813/2.1=15...(8) H VAL 76 + QG2 VAL 76 OK 87 100 - 87 - 3.9=74, 813/2.1=15...(8) H ARG 69 - QG1 VAL 76 OK 30 76 - 39 - 292=5, 940/3.9=5...(17) H ARG 69 - QG2 VAL 76 OK 29 75 - 39 - 292=5, 940/3.9=5...(17) H ARG 70 - QG1 VAL 76 OK 26 99 - 26 - 3.6/4769=3, 3156/3.2=3...(10) H ARG 70 - QG2 VAL 76 OK 25 99 - 26 - 3.6/4769=3, 3156/3.2=3...(10) H LEU 29 - QG1 VAL 76 OK 14 99 - 14 - 77/3.2=3, 908/3.9=2...(4) H LEU 29 - QG2 VAL 76 OK 14 98 - 14 - 77/3.2=3, 908/3.9=2...(4) H ALA 63 - QG1 VAL 76 lone 9 87 - 10 - 3.6/2569=1 H ALA 63 - QG2 VAL 76 lone 9 86 - 10 - 3.6/2569=1 H LEU 29 - QG1 VAL 90 lone 7 75 - 10 - 4184/3.2=3, 549/2.1=2 H LEU 29 - QG2 VAL 90 lone 7 73 - 10 - 4184/3.2=3, 549/2.1=2 H LYS 32 - QG1 VAL 76 lone 6 85 - 7 - 3156/3.2=2 H LYS 32 - QG2 VAL 76 lone 6 84 - 7 - 3156/3.2=2 H VAL 76 - QG1 VAL 90 lone 6 78 - 7 - H VAL 76 - QG2 VAL 90 lone 5 76 - 7 - H ALA 30 - QG1 VAL 76 lone 5 76 - 7 - 79/3.9=1, 4841/3.2=1, 5538/4.3=1 H ALA 30 - QG2 VAL 76 lone 5 75 - 7 - 79/3.9=1, 4841/3.2=1, 5538/4.3=1 H ALA 63 - QG1 VAL 90 lone 4 62 - 7 - 725/3.2=1 H ALA 63 - QG2 VAL 90 lone 4 59 - 7 - 725/3.2=1 H ASP 67 - QG1 VAL 76 lone 4 60 - 6 - 4.6/755=1 H ASP 67 - QG2 VAL 76 lone 3 59 - 6 - 4.6/755=1 H ALA 30 - QG1 VAL 90 lone 3 52 - 5 - 5387/3.2=2 H ALA 30 - QG2 VAL 90 lone 2 50 - 5 - 5387/3.2=2 H ARG 69 - QG1 VAL 90 lone 2 52 - 4 - H ARG 69 - QG2 VAL 90 lone 2 50 - 4 - H ARG 70 - QG1 VAL 90 lone 2 76 - 2 - H ARG 70 - QG2 VAL 90 lone 2 73 - 2 - H ASP 67 - QG1 VAL 90 lone 1 40 - 3 - H ASP 67 - QG2 VAL 90 lone 1 38 - 3 - H LYS 32 - QG1 VAL 90 lone 1 60 - 1 - H LYS 32 - QG2 VAL 90 lone 1 58 - 1 - Peak 3167 from cnoeabs.peaks (3.97, 0.92, 20.62 ppm; 3.21 A): 2 out of 36 assignments used, quality = 1.00: * HA VAL 76 + QG1 VAL 76 OK 100 100 - 100 - 3.2=100 HA VAL 76 + QG2 VAL 76 OK 100 100 - 100 - 3.2=100 HA2 GLY 72 - QG1 VAL 76 OK 19 100 - 19 - 3.6/5263=2, 4796=2...(9) HA2 GLY 72 - QG2 VAL 76 OK 19 99 - 19 - 3.6/5263=2, 4796=2...(9) HA ALA 28 - QG1 VAL 76 OK 13 97 - 13 - 812/3.9=2, 3162/2.1=1, 349/4.3=1 HA ALA 28 - QG2 VAL 76 OK 12 97 - 13 - 812/3.9=2, 3162/2.1=1, 349/4.3=1 HA ARG 66 - QG1 VAL 76 lone 9 98 - 9 - 812/3.9=1 HA ARG 66 - QG2 VAL 76 lone 9 97 - 9 - 812/3.9=1 HA GLU 50 - QG1 VAL 76 lone 8 100 - 8 - HA GLU 50 - QG2 VAL 76 lone 8 99 - 8 - HA GLN 61 - QG1 VAL 76 lone 7 100 - 7 - 812/3.9=1 HA GLN 61 - QG2 VAL 76 lone 7 100 - 7 - 812/3.9=1 HA LYS 32 - QG1 VAL 76 lone 7 98 - 7 - 812/3.9=1 HA LYS 32 - QG2 VAL 76 lone 7 97 - 7 - 812/3.9=1 HA VAL 76 - QG1 VAL 90 lone 7 78 - 9 - 3160=1 HA VAL 76 - QG2 VAL 90 lone 7 76 - 9 - 3159=1 HA ARG 66 - QG1 VAL 90 lone 5 74 - 7 - 2678/2.1=1 HA ARG 66 - QG2 VAL 90 lone 5 72 - 7 - 2678/2.1=1 HA2 GLY 21 - QG1 VAL 76 lone 4 90 - 4 - 349/4.3=1 HA2 GLY 21 - QG2 VAL 76 lone 4 89 - 4 - 349/4.3=1 HA3 GLY 21 - QG1 VAL 76 lone 4 89 - 4 - 349/4.3=1 HA3 GLY 21 - QG2 VAL 76 lone 4 88 - 4 - 349/4.3=1 HA ALA 28 - QG1 VAL 90 lone 2 73 - 2 - HA ALA 28 - QG2 VAL 90 lone 2 71 - 2 - HA GLU 50 - QG1 VAL 90 lone 1 77 - 2 - HA GLU 50 - QG2 VAL 90 lone 1 75 - 2 - HA2 GLY 72 - QG1 VAL 90 lone 1 77 - 1 - HA2 GLY 72 - QG2 VAL 90 lone 1 75 - 1 - HA GLN 61 - QG1 VAL 90 lone 1 78 - 1 - HA GLN 61 - QG2 VAL 90 lone 1 75 - 1 - HA LYS 32 - QG1 VAL 90 lone 1 74 - 1 - HA LYS 32 - QG2 VAL 90 lone 1 72 - 1 - HA2 GLY 21 - QG1 VAL 90 lone 0 65 - 1 - HA3 GLY 21 - QG1 VAL 90 lone 0 63 - 1 - HA2 GLY 21 - QG2 VAL 90 lone 0 63 - 1 - HA3 GLY 21 - QG2 VAL 90 lone 0 61 - 1 - Peak 3168 from cnoeabs.peaks (2.04, 0.92, 20.62 ppm; 3.00 A): 3 out of 64 assignments used, quality = 1.00: * HB VAL 76 + QG1 VAL 76 OK 100 100 - 100 - 2.1=100 HB VAL 76 + QG2 VAL 76 OK 100 100 - 100 - 2.1=100 HB VAL 90 + QG1 VAL 90 OK 46 46 - 100 - 2.1=100 HB VAL 90 - QG2 VAL 90 OK 44 44 - 100 - 2.1=100 HD3 ARG 69 - QG1 VAL 76 OK 28 93 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD2 ARG 69 - QG1 VAL 76 OK 28 93 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD2 ARG 69 - QG2 VAL 76 OK 27 92 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD3 ARG 69 - QG2 VAL 76 OK 27 92 - 30 - 3158/3.2=3, 813/3.9=3...(17) HB3 MET 31 - QG1 VAL 76 poor 8 68 - 11 - 3158/3.2=1 HB3 MET 31 - QG2 VAL 76 poor 7 67 - 11 - 3158/3.2=1 HB2 GLU 50 - QG1 VAL 76 lone 7 100 - 7 - 3158/3.2=1 HB3 GLU 50 - QG1 VAL 76 lone 7 100 - 7 - 3158/3.2=1 HB3 GLU 50 - QG2 VAL 76 lone 7 99 - 7 - 3158/3.2=1 HB2 GLU 50 - QG2 VAL 76 lone 7 99 - 7 - 3158/3.2=1 HG2 PRO 44 - QG1 VAL 76 lone 6 100 - 6 - HG2 PRO 44 - QG2 VAL 76 lone 6 100 - 6 - HB VAL 76 - QG1 VAL 90 lone 6 78 - 7 - HB VAL 76 - QG2 VAL 90 lone 5 76 - 7 - HB VAL 90 - QG1 VAL 76 lone 5 68 - 7 - HB VAL 90 - QG2 VAL 76 lone 5 67 - 7 - HB2 GLU 25 - QG1 VAL 76 lone 3 98 - 3 - HB2 GLU 25 - QG2 VAL 76 lone 3 97 - 3 - HB3 GLU 25 - QG1 VAL 76 lone 3 97 - 3 - HB3 GLU 25 - QG2 VAL 76 lone 3 97 - 3 - HB3 PRO 56 - QG1 VAL 76 lone 2 95 - 2 - HB3 PRO 56 - QG2 VAL 76 lone 2 94 - 2 - HD3 ARG 69 - QG1 VAL 90 lone 2 68 - 3 - HD2 ARG 69 - QG1 VAL 90 lone 2 68 - 3 - HD2 ARG 69 - QG2 VAL 90 lone 2 66 - 3 - HD3 ARG 69 - QG2 VAL 90 lone 2 66 - 3 - HB2 GLU 25 - QG1 VAL 90 lone 2 74 - 3 - HB3 GLU 25 - QG1 VAL 90 lone 2 73 - 3 - HB2 GLU 25 - QG2 VAL 90 lone 2 72 - 3 - HB3 GLU 25 - QG2 VAL 90 lone 2 71 - 3 - HB3 GLU 19 - QG1 VAL 76 lone 2 99 - 2 - HB3 GLU 19 - QG2 VAL 76 lone 2 99 - 2 - HB3 GLN 91 - QG1 VAL 90 lone 2 77 - 2 - HB3 GLN 91 - QG2 VAL 90 lone 2 75 - 2 - HB3 GLU 19 - QG1 VAL 90 lone 2 76 - 2 - 890/4.1=1 HB3 GLU 19 - QG2 VAL 90 lone 2 74 - 2 - 890/4.1=1 HG2 PRO 56 - QG1 VAL 76 lone 1 99 - 1 - HG2 PRO 56 - QG2 VAL 76 lone 1 99 - 1 - HB3 GLU 50 - QG1 VAL 90 lone 1 77 - 2 - HB2 GLU 50 - QG1 VAL 90 lone 1 77 - 2 - HB2 GLU 50 - QG2 VAL 90 lone 1 75 - 2 - HB3 GLU 50 - QG2 VAL 90 lone 1 75 - 2 - HB3 GLN 91 - QG1 VAL 76 lone 1 100 - 1 - HB3 GLN 91 - QG2 VAL 76 lone 1 99 - 1 - HB2 GLU 87 - QG1 VAL 76 lone 1 95 - 1 - HB2 GLU 87 - QG2 VAL 76 lone 1 94 - 1 - HB2 GLU 87 - QG1 VAL 90 lone 1 69 - 2 - HB2 GLU 87 - QG2 VAL 90 lone 1 67 - 2 - HB3 PRO 56 - QG1 VAL 90 lone 1 69 - 1 - HB3 PRO 56 - QG2 VAL 90 lone 1 67 - 1 - HG2 PRO 56 - QG1 VAL 90 lone 1 76 - 1 - HB VAL 45 - QG1 VAL 76 lone 1 81 - 1 - HG2 PRO 56 - QG2 VAL 90 lone 1 73 - 1 - HB VAL 45 - QG2 VAL 76 lone 1 80 - 1 - HG2 PRO 44 - QG1 VAL 90 lone 1 78 - 1 - HG2 PRO 44 - QG2 VAL 90 lone 1 75 - 1 - HB3 MET 31 - QG1 VAL 90 lone 0 46 - 1 - HB3 MET 31 - QG2 VAL 90 lone 0 44 - 1 - HB VAL 45 - QG1 VAL 90 lone 0 56 - 0 - HB VAL 45 - QG2 VAL 90 lone 0 54 - 0 - Peak 3169 from cnoeabs.peaks (0.92, 0.92, 20.62 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG1 VAL 76 + QG1 VAL 76 OK 100 100 - 100 QG2 VAL 76 + QG2 VAL 76 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 56 56 - 100 QG2 VAL 90 + QG2 VAL 90 OK 52 52 - 100 Peak 3170 from cnoeabs.peaks (0.92, 0.92, 20.62 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 76 + QG1 VAL 76 OK 100 100 - 100 QG2 VAL 76 + QG2 VAL 76 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 56 56 - 100 QG2 VAL 90 + QG2 VAL 90 OK 52 52 - 100 Reference assignment not found: QG2 VAL 76 - QG1 VAL 76 Peak 3171 from cnoeabs.peaks (7.96, 0.92, 20.67 ppm; 3.48 A): 2 out of 32 assignments used, quality = 0.98: * H VAL 76 + QG2 VAL 76 OK 87 100 - 87 - 3.9=74, 813/2.1=15...(8) H VAL 76 + QG1 VAL 76 OK 87 100 - 87 - 3.9=74, 813/2.1=15...(8) H ARG 69 - QG2 VAL 76 OK 30 76 - 39 - 292=5, 940/3.9=5...(17) H ARG 69 - QG1 VAL 76 OK 29 75 - 39 - 292=5, 940/3.9=5...(17) H ARG 70 - QG2 VAL 76 OK 26 99 - 26 - 3.6/4769=3, 3156/3.2=3...(10) H ARG 70 - QG1 VAL 76 OK 25 99 - 26 - 3.6/4769=3, 3156/3.2=3...(10) H LEU 29 - QG2 VAL 76 OK 14 99 - 14 - 77/3.2=3, 908/3.9=2...(4) H LEU 29 - QG1 VAL 76 OK 14 98 - 14 - 77/3.2=3, 908/3.9=2...(4) H ALA 63 - QG2 VAL 76 lone 9 87 - 10 - 3.6/2569=1 H ALA 63 - QG1 VAL 76 lone 8 86 - 10 - 3.6/2569=1 H LEU 29 - QG1 VAL 90 lone 7 71 - 10 - 4184/3.2=3, 549/2.1=2 H LEU 29 - QG2 VAL 90 lone 7 69 - 10 - 4184/3.2=3, 549/2.1=2 H LYS 32 - QG2 VAL 76 lone 6 85 - 7 - 3156/3.2=2 H LYS 32 - QG1 VAL 76 lone 6 84 - 7 - 3156/3.2=2 H VAL 76 - QG1 VAL 90 lone 5 74 - 7 - H ALA 30 - QG2 VAL 76 lone 5 76 - 7 - 79/3.9=1, 4841/3.2=1, 5538/4.3=1 H VAL 76 - QG2 VAL 90 lone 5 72 - 7 - H ALA 30 - QG1 VAL 76 lone 5 75 - 7 - 79/3.9=1, 4841/3.2=1, 5538/4.3=1 H ALA 63 - QG1 VAL 90 lone 4 58 - 7 - 725/3.2=1 H ALA 63 - QG2 VAL 90 lone 4 56 - 7 - 725/3.2=1 H ASP 67 - QG2 VAL 76 lone 4 60 - 6 - 4.6/755=1 H ASP 67 - QG1 VAL 76 lone 3 59 - 6 - 4.6/755=1 H ALA 30 - QG1 VAL 90 lone 2 49 - 5 - 5387/3.2=2 H ALA 30 - QG2 VAL 90 lone 2 47 - 5 - 5387/3.2=2 H ARG 69 - QG1 VAL 90 lone 2 49 - 4 - H ARG 69 - QG2 VAL 90 lone 2 47 - 4 - H ARG 70 - QG1 VAL 90 lone 2 72 - 2 - H ARG 70 - QG2 VAL 90 lone 2 70 - 2 - H ASP 67 - QG1 VAL 90 lone 1 38 - 3 - H ASP 67 - QG2 VAL 90 lone 1 36 - 3 - H LYS 32 - QG1 VAL 90 lone 1 56 - 1 - H LYS 32 - QG2 VAL 90 lone 1 54 - 1 - Peak 3172 from cnoeabs.peaks (3.97, 0.92, 20.67 ppm; 3.21 A): 2 out of 36 assignments used, quality = 1.00: * HA VAL 76 + QG2 VAL 76 OK 100 100 - 100 - 3.2=100 HA VAL 76 + QG1 VAL 76 OK 100 100 - 100 - 3.2=100 HA2 GLY 72 - QG2 VAL 76 OK 19 100 - 19 - 3.6/5263=2, 4796=2...(9) HA2 GLY 72 - QG1 VAL 76 OK 19 99 - 19 - 3.6/5263=2, 4796=2...(9) HA ALA 28 - QG2 VAL 76 OK 13 97 - 13 - 812/3.9=2, 3162/2.1=1, 349/4.3=1 HA ALA 28 - QG1 VAL 76 OK 12 97 - 13 - 812/3.9=2, 3162/2.1=1, 349/4.3=1 HA ARG 66 - QG2 VAL 76 lone 9 98 - 9 - 812/3.9=1 HA ARG 66 - QG1 VAL 76 lone 9 97 - 9 - 812/3.9=1 HA GLU 50 - QG2 VAL 76 lone 8 100 - 8 - HA GLU 50 - QG1 VAL 76 lone 8 99 - 8 - HA GLN 61 - QG2 VAL 76 lone 7 100 - 7 - 812/3.9=1 HA GLN 61 - QG1 VAL 76 lone 7 100 - 7 - 812/3.9=1 HA LYS 32 - QG2 VAL 76 lone 7 98 - 7 - 812/3.9=1 HA LYS 32 - QG1 VAL 76 lone 7 97 - 7 - 812/3.9=1 HA VAL 76 - QG1 VAL 90 lone 7 74 - 9 - 3160=1 HA VAL 76 - QG2 VAL 90 lone 6 72 - 9 - 3159=1 HA ARG 66 - QG1 VAL 90 lone 5 70 - 7 - 2678/2.1=1 HA ARG 66 - QG2 VAL 90 lone 5 68 - 7 - 2678/2.1=1 HA2 GLY 21 - QG2 VAL 76 lone 4 90 - 4 - 349/4.3=1 HA2 GLY 21 - QG1 VAL 76 lone 4 89 - 4 - 349/4.3=1 HA3 GLY 21 - QG2 VAL 76 lone 4 89 - 4 - 349/4.3=1 HA3 GLY 21 - QG1 VAL 76 lone 4 88 - 4 - 349/4.3=1 HA ALA 28 - QG1 VAL 90 lone 2 69 - 2 - HA ALA 28 - QG2 VAL 90 lone 2 67 - 2 - HA GLU 50 - QG1 VAL 90 lone 1 74 - 2 - HA GLU 50 - QG2 VAL 90 lone 1 71 - 2 - HA2 GLY 72 - QG1 VAL 90 lone 1 73 - 1 - HA2 GLY 72 - QG2 VAL 90 lone 1 71 - 1 - HA GLN 61 - QG1 VAL 90 lone 1 74 - 1 - HA GLN 61 - QG2 VAL 90 lone 1 72 - 1 - HA LYS 32 - QG1 VAL 90 lone 1 70 - 1 - HA LYS 32 - QG2 VAL 90 lone 1 68 - 1 - HA2 GLY 21 - QG1 VAL 90 lone 0 61 - 1 - HA3 GLY 21 - QG1 VAL 90 lone 0 60 - 1 - HA2 GLY 21 - QG2 VAL 90 lone 0 59 - 1 - HA3 GLY 21 - QG2 VAL 90 lone 0 58 - 1 - Peak 3173 from cnoeabs.peaks (2.04, 0.92, 20.67 ppm; 3.00 A): 2 out of 64 assignments used, quality = 1.00: * HB VAL 76 + QG2 VAL 76 OK 100 100 - 100 - 2.1=100 HB VAL 76 + QG1 VAL 76 OK 100 100 - 100 - 2.1=100 HB VAL 90 - QG1 VAL 90 OK 43 43 - 100 - 2.1=100 HB VAL 90 - QG2 VAL 90 OK 42 42 - 100 - 2.1=100 HD3 ARG 69 - QG2 VAL 76 OK 28 93 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD2 ARG 69 - QG2 VAL 76 OK 28 93 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD3 ARG 69 - QG1 VAL 76 OK 27 92 - 30 - 3158/3.2=3, 813/3.9=3...(17) HD2 ARG 69 - QG1 VAL 76 OK 27 92 - 30 - 3158/3.2=3, 813/3.9=3...(17) HB3 MET 31 - QG2 VAL 76 poor 8 68 - 11 - 3158/3.2=1 HB3 MET 31 - QG1 VAL 76 poor 7 67 - 11 - 3158/3.2=1 HB2 GLU 50 - QG2 VAL 76 lone 7 100 - 7 - 3158/3.2=1 HB3 GLU 50 - QG2 VAL 76 lone 7 100 - 7 - 3158/3.2=1 HB3 GLU 50 - QG1 VAL 76 lone 7 99 - 7 - 3158/3.2=1 HB2 GLU 50 - QG1 VAL 76 lone 7 99 - 7 - 3158/3.2=1 HG2 PRO 44 - QG2 VAL 76 lone 6 100 - 6 - HG2 PRO 44 - QG1 VAL 76 lone 6 100 - 6 - HB VAL 76 - QG1 VAL 90 lone 5 74 - 7 - HB VAL 76 - QG2 VAL 90 lone 5 72 - 7 - HB VAL 90 - QG2 VAL 76 lone 5 68 - 7 - HB VAL 90 - QG1 VAL 76 lone 5 67 - 7 - HB2 GLU 25 - QG2 VAL 76 lone 3 98 - 3 - HB2 GLU 25 - QG1 VAL 76 lone 3 97 - 3 - HB3 GLU 25 - QG2 VAL 76 lone 3 97 - 3 - HB3 GLU 25 - QG1 VAL 76 lone 3 97 - 3 - HB3 PRO 56 - QG2 VAL 76 lone 2 95 - 2 - HB3 PRO 56 - QG1 VAL 76 lone 2 94 - 2 - HD2 ARG 69 - QG1 VAL 90 lone 2 64 - 3 - HD3 ARG 69 - QG1 VAL 90 lone 2 64 - 3 - HD2 ARG 69 - QG2 VAL 90 lone 2 62 - 3 - HD3 ARG 69 - QG2 VAL 90 lone 2 62 - 3 - HB2 GLU 25 - QG1 VAL 90 lone 2 70 - 3 - HB3 GLU 25 - QG1 VAL 90 lone 2 69 - 3 - HB2 GLU 25 - QG2 VAL 90 lone 2 68 - 3 - HB3 GLU 25 - QG2 VAL 90 lone 2 67 - 3 - HB3 GLU 19 - QG2 VAL 76 lone 2 99 - 2 - HB3 GLU 19 - QG1 VAL 76 lone 2 99 - 2 - HB3 GLN 91 - QG1 VAL 90 lone 2 74 - 2 - HB3 GLN 91 - QG2 VAL 90 lone 2 71 - 2 - HB3 GLU 19 - QG1 VAL 90 lone 1 72 - 2 - 890/4.1=1 HB3 GLU 19 - QG2 VAL 90 lone 1 70 - 2 - 890/4.1=1 HG2 PRO 56 - QG2 VAL 76 lone 1 99 - 1 - HG2 PRO 56 - QG1 VAL 76 lone 1 99 - 1 - HB2 GLU 50 - QG1 VAL 90 lone 1 74 - 2 - HB3 GLU 50 - QG1 VAL 90 lone 1 74 - 2 - HB3 GLN 91 - QG2 VAL 76 lone 1 100 - 1 - HB3 GLN 91 - QG1 VAL 76 lone 1 99 - 1 - HB2 GLU 50 - QG2 VAL 90 lone 1 71 - 2 - HB3 GLU 50 - QG2 VAL 90 lone 1 71 - 2 - HB2 GLU 87 - QG2 VAL 76 lone 1 95 - 1 - HB2 GLU 87 - QG1 VAL 76 lone 1 94 - 1 - HB2 GLU 87 - QG1 VAL 90 lone 1 66 - 2 - HB2 GLU 87 - QG2 VAL 90 lone 1 63 - 2 - HB3 PRO 56 - QG1 VAL 90 lone 1 66 - 1 - HB3 PRO 56 - QG2 VAL 90 lone 1 63 - 1 - HB VAL 45 - QG2 VAL 76 lone 1 81 - 1 - HB VAL 45 - QG1 VAL 76 lone 1 80 - 1 - HG2 PRO 56 - QG1 VAL 90 lone 1 72 - 1 - HG2 PRO 56 - QG2 VAL 90 lone 1 70 - 1 - HG2 PRO 44 - QG1 VAL 90 lone 1 74 - 1 - HG2 PRO 44 - QG2 VAL 90 lone 1 72 - 1 - HB3 MET 31 - QG1 VAL 90 lone 0 43 - 1 - HB3 MET 31 - QG2 VAL 90 lone 0 42 - 1 - HB VAL 45 - QG1 VAL 90 lone 0 53 - 0 - HB VAL 45 - QG2 VAL 90 lone 0 51 - 0 - Peak 3174 from cnoeabs.peaks (0.92, 0.92, 20.67 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: QG2 VAL 76 + QG2 VAL 76 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 53 53 - 100 QG2 VAL 90 + QG2 VAL 90 OK 49 49 - 100 Reference assignment not found: QG1 VAL 76 - QG2 VAL 76 Peak 3175 from cnoeabs.peaks (0.92, 0.92, 20.67 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG2 VAL 76 + QG2 VAL 76 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 53 53 - 100 QG2 VAL 90 + QG2 VAL 90 OK 49 49 - 100 Peak 3176 from cnoeabs.peaks (8.23, 4.23, 52.70 ppm; 3.74 A): 2 out of 24 assignments used, quality = 1.00: * H ALA 77 + HA ALA 77 OK 100 100 - 100 - 3.0=100 H GLN 79 + HA ALA 78 OK 50 50 - 100 - 3.6=100 H GLN 79 - HA ALA 77 OK 29 97 - 30 - 4.6/354=10, 4.6/6154=7...(7) H ALA 77 - HA ALA 78 OK 28 54 - 52 - 5857/2.9=13, 817=7...(18) H ALA 28 - HA ALA 77 lone 6 94 - 6 - ~1470=1 H ALA 77 - HA ALA 20 lone 5 51 - 9 - 818/2.1=1, 817=1 H THR 15 - HA ALA 77 lone 4 78 - 5 - H SER 22 - HA ALA 77 lone 4 92 - 4 - 3.5/4800=1, 3.5/4800=1 H ALA 12 - HA ALA 77 lone 2 94 - 2 - H ARG 84 - HA ALA 77 lone 2 65 - 3 - H GLU 25 - HA ALA 77 lone 2 71 - 3 - H SER 22 - HA ALA 20 lone 1 42 - 4 - 3.5/4800=1, 3.5/4800=1 H THR 15 - HA ALA 20 lone 1 34 - 4 - H GLN 79 - HA ALA 20 lone 1 47 - 2 - H ALA 28 - HA ALA 78 lone 1 47 - 2 - H ALA 28 - HA ALA 20 lone 1 45 - 2 - H GLU 25 - HA ALA 78 lone 1 32 - 3 - H ALA 12 - HA ALA 20 lone 1 45 - 2 - H ARG 84 - HA ALA 78 lone 1 29 - 2 - H SER 22 - HA ALA 78 lone 1 45 - 1 - H ALA 12 - HA ALA 78 lone 1 47 - 1 - H THR 15 - HA ALA 78 lone 1 36 - 2 - H ARG 84 - HA ALA 20 lone 0 27 - 2 - H GLU 25 - HA ALA 20 lone 0 30 - 2 - Peak 3177 from cnoeabs.peaks (4.23, 4.23, 52.70 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HA ALA 77 + HA ALA 77 OK 100 100 - 100 HA ALA 78 - HA ALA 78 OK 27 27 - 100 HA ALA 20 - HA ALA 20 OK 27 27 - 100 Peak 3178 from cnoeabs.peaks (1.38, 4.23, 52.70 ppm; 2.65 A): 3 out of 39 assignments used, quality = 1.00: * QB ALA 77 + HA ALA 77 OK 100 100 - 100 - 2.1=100 QB ALA 20 + HA ALA 20 OK 51 51 - 100 - 2.1=100 QB ALA 78 + HA ALA 78 OK 48 48 - 100 - 2.1=100 QB ALA 78 - HA ALA 77 OK 27 96 - 28 - 2.9/354=9, 3180=4...(10) QB ALA 77 - HA ALA 78 OK 19 54 - 35 - 4.9=15, 355/2.9=7...(9) HG3 LYS 75 - HA ALA 77 lone 6 93 - 6 - 4.9/339=1, 818/3.0=1 HG2 LYS 75 - HA ALA 77 lone 6 93 - 6 - 4.9/339=1, 818/3.0=1 QB ALA 20 - HA ALA 77 lone 5 100 - 5 - HG3 ARG 69 - HA ALA 77 lone 4 100 - 4 - 818/3.0=1 HG2 LYS 85 - HA ALA 77 lone 3 100 - 3 - HB3 ARG 69 - HA ALA 77 lone 3 85 - 3 - 818/3.0=1 HG3 LYS 73 - HA ALA 77 lone 3 96 - 3 - QB ALA 77 - HA ALA 20 lone 2 51 - 5 - 1239/3.0=1 QB ALA 16 - HA ALA 77 lone 2 90 - 2 - HG2 LYS 83 - HA ALA 77 lone 2 99 - 2 - HG3 ARG 69 - HA ALA 20 lone 2 51 - 3 - QB ALA 16 - HA ALA 20 lone 1 41 - 3 - HG3 LYS 73 - HA ALA 78 lone 1 48 - 3 - HG2 LYS 75 - HA ALA 78 lone 1 46 - 3 - HG3 LYS 75 - HA ALA 78 lone 1 46 - 3 - QB ALA 78 - HA ALA 20 lone 1 46 - 3 - HG2 LYS 85 - HA ALA 78 lone 1 54 - 2 - QB ALA 20 - HA ALA 78 lone 1 54 - 2 - HB3 ARG 69 - HA ALA 20 lone 1 38 - 3 - QB ALA 53 - HA ALA 77 lone 1 89 - 1 - HG2 LYS 75 - HA ALA 20 lone 1 44 - 2 - HG3 LYS 75 - HA ALA 20 lone 1 44 - 2 - HG3 ARG 69 - HA ALA 78 lone 1 54 - 2 - HG3 LYS 39 - HA ALA 77 lone 1 60 - 1 - HB3 ARG 69 - HA ALA 78 lone 1 40 - 2 - HG2 LYS 83 - HA ALA 78 lone 1 52 - 1 - HG2 LYS 83 - HA ALA 20 lone 1 49 - 1 - QB ALA 53 - HA ALA 78 lone 1 43 - 1 - HG2 LYS 85 - HA ALA 20 lone 0 51 - 1 - HG3 LYS 73 - HA ALA 20 lone 0 46 - 1 - HG3 LYS 39 - HA ALA 20 lone 0 24 - 2 - QB ALA 53 - HA ALA 20 lone 0 40 - 1 - QB ALA 16 - HA ALA 78 lone 0 44 - 1 - HG3 LYS 39 - HA ALA 78 lone 0 26 - 1 - Peak 3180 from cnoeabs.peaks (4.23, 1.38, 18.78 ppm; 2.60 A): 3 out of 48 assignments used, quality = 1.00: * HA ALA 77 + QB ALA 77 OK 100 100 - 100 - 2.1=100 HA ALA 20 + QB ALA 20 OK 65 65 - 100 - 2.1=100 HA ALA 78 + QB ALA 78 OK 53 53 - 100 - 2.1=100 HA ALA 77 - QB ALA 78 OK 25 92 - 28 - 354/2.9=8, 3178=4...(10) HA ALA 78 - QB ALA 77 OK 21 63 - 34 - 4.9=15, 2.9/355=7...(9) HA GLU 19 - QB ALA 20 OK 21 75 - 28 - 4.5=19, 27/2.9=4, ~29=2 HA THR 15 - QB ALA 16 poor 8 56 - 15 - 5.0=14 HA LYS 75 - QB ALA 77 lone 7 97 - 8 - 817/2.9=2, 3.6/5066=1 HA ALA 77 - QB ALA 20 lone 5 100 - 5 - HA LEU 64 - QB ALA 20 lone 4 68 - 6 - 33/3.6=1, 6135/2.9=1 HA ALA 20 - QB ALA 77 lone 3 65 - 5 - HA LYS 85 - QB ALA 77 lone 3 100 - 3 - HA LYS 75 - QB ALA 78 lone 3 87 - 3 - HA LYS 83 - QB ALA 77 lone 3 98 - 3 - HA THR 15 - QB ALA 77 lone 2 96 - 2 - HA LYS 85 - QB ALA 78 lone 2 91 - 2 - HA LYS 75 - QB ALA 20 lone 2 97 - 2 - HA THR 15 - QB ALA 20 lone 2 95 - 2 - HA LYS 39 - QB ALA 20 lone 2 90 - 2 - HB THR 37 - QB ALA 77 lone 2 97 - 2 - HA LYS 83 - QB ALA 20 lone 2 98 - 2 - HA LYS 83 - QB ALA 78 lone 2 88 - 2 - HA GLU 19 - QB ALA 77 lone 2 76 - 2 - HA ALA 77 - QB ALA 16 lone 2 63 - 2 - HA ALA 20 - QB ALA 78 lone 1 55 - 3 - HA LYS 39 - QB ALA 77 lone 1 90 - 1 - HA ALA 20 - QB ALA 16 lone 1 34 - 4 - HA ALA 78 - QB ALA 20 lone 1 62 - 2 - HB THR 37 - QB ALA 20 lone 1 96 - 1 - HA LYS 85 - QB ALA 20 lone 1 99 - 1 - HA LEU 64 - QB ALA 16 lone 1 36 - 3 - 3914/3.6=1 HB THR 37 - QB ALA 16 lone 1 58 - 2 - HA LYS 39 - QB ALA 78 lone 1 79 - 1 - HA ALA 12 - QB ALA 77 lone 1 73 - 1 - HA GLU 19 - QB ALA 78 lone 1 64 - 1 - HA THR 15 - QB ALA 78 lone 1 85 - 1 - HA LEU 64 - QB ALA 77 lone 1 68 - 1 - HB THR 37 - QB ALA 78 lone 1 86 - 1 - HA LYS 83 - QB ALA 16 lone 1 59 - 1 - HA ALA 12 - QB ALA 16 lone 1 39 - 2 - HA GLU 19 - QB ALA 16 lone 1 41 - 1 - HA LYS 85 - QB ALA 16 lone 1 62 - 1 - HA ALA 12 - QB ALA 20 lone 1 73 - 1 - HA LYS 75 - QB ALA 16 lone 0 59 - 1 - HA ALA 12 - QB ALA 78 lone 0 62 - 1 - HA LEU 64 - QB ALA 78 lone 0 57 - 0 - HA LYS 39 - QB ALA 16 lone 0 52 - 0 - HA ALA 78 - QB ALA 16 lone 0 33 - 1 - Peak 3181 from cnoeabs.peaks (1.38, 1.38, 18.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QB ALA 77 + QB ALA 77 OK 100 100 - 100 QB ALA 20 + QB ALA 20 OK 100 100 - 100 QB ALA 78 + QB ALA 78 OK 85 85 - 100 QB ALA 16 + QB ALA 16 OK 52 52 - 100 Peak 3182 from cnoeabs.peaks (8.15, 4.21, 52.88 ppm; 3.87 A): 2 out of 12 assignments used, quality = 1.00: * H ALA 78 + HA ALA 78 OK 100 100 - 100 - 2.9=100 H ALA 78 + HA ALA 77 OK 57 57 - 100 - 3.6=100 H ASN 74 - HA ALA 77 OK 22 56 - 39 - ~16041=17, 5858/3.0=7...(7) H ASN 74 - HA ALA 78 OK 13 100 - 13 - 3989/4.9=3, ~6040=2...(5) H ARG 26 - HA ALA 78 lone 2 89 - 2 - H LEU 57 - HA ALA 78 lone 1 100 - 1 - H LEU 57 - HA ALA 77 lone 1 56 - 2 - 5858/3.0=1 H THR 88 - HA ALA 78 lone 1 89 - 1 - H ARG 26 - HA ALA 77 lone 1 45 - 2 - H ILE 89 - HA ALA 78 lone 1 71 - 1 - H THR 88 - HA ALA 77 lone 1 45 - 1 - H ILE 89 - HA ALA 77 lone 0 33 - 1 - Peak 3183 from cnoeabs.peaks (4.21, 4.21, 52.88 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ALA 78 + HA ALA 78 OK 100 100 - 100 HA ALA 77 - HA ALA 77 OK 30 30 - 100 Peak 3184 from cnoeabs.peaks (1.39, 4.21, 52.88 ppm; 2.67 A): 2 out of 26 assignments used, quality = 1.00: * QB ALA 78 + HA ALA 78 OK 100 100 - 100 - 2.1=100 QB ALA 77 + HA ALA 77 OK 50 50 - 100 - 2.1=100 QB ALA 77 - HA ALA 78 OK 35 96 - 37 - 4.9=16, 355/2.9=7...(9) QB ALA 78 - HA ALA 77 OK 15 57 - 26 - 821/3.6=8, 818/3.0=3...(10) HG3 LYS 73 - HA ALA 78 lone 4 100 - 4 - HG3 LYS 75 - HA ALA 78 lone 4 100 - 4 - HG2 LYS 75 - HA ALA 78 lone 4 100 - 4 - HG2 LYS 75 - HA ALA 77 lone 3 57 - 5 - 818/3.0=1 HG3 LYS 75 - HA ALA 77 lone 3 57 - 5 - 818/3.0=1 HG2 LYS 85 - HA ALA 78 lone 2 97 - 2 - QB ALA 20 - HA ALA 78 lone 2 97 - 2 - HB3 ARG 69 - HA ALA 78 lone 2 99 - 2 - HG3 ARG 69 - HA ALA 78 lone 2 97 - 2 - HG3 ARG 69 - HA ALA 77 lone 2 51 - 4 - 818/3.0=1 QB ALA 20 - HA ALA 77 lone 2 52 - 3 - HB3 ARG 69 - HA ALA 77 lone 2 55 - 3 - 818/3.0=1 QB ALA 53 - HA ALA 78 lone 1 100 - 1 - HG2 LYS 85 - HA ALA 77 lone 1 52 - 3 - HG3 LYS 39 - HA ALA 78 lone 1 89 - 1 - HG3 LYS 73 - HA ALA 77 lone 1 57 - 2 - HG2 LYS 83 - HA ALA 78 lone 1 85 - 1 - HG2 LYS 83 - HA ALA 77 lone 1 42 - 2 - QB ALA 16 - HA ALA 77 lone 1 29 - 2 - QB ALA 53 - HA ALA 77 lone 1 56 - 1 - HG3 LYS 39 - HA ALA 77 lone 0 45 - 1 - QB ALA 16 - HA ALA 78 lone 0 63 - 1 - Peak 3185 from cnoeabs.peaks (8.15, 1.39, 18.67 ppm; 3.49 A): 2 out of 24 assignments used, quality = 1.00: * H ALA 78 + QB ALA 78 OK 100 100 - 100 - 2.9=100 H ALA 78 + QB ALA 77 OK 89 92 - 97 - 3.6=94, 354/2.1=18...(14) H ASN 74 - QB ALA 77 OK 40 91 - 44 - 3.0/16041=25, 3988/2.1=5...(8) H ASN 74 - QB ALA 78 OK 13 100 - 13 - 3.0/6040=3, 327/4.6=2...(4) H THR 88 - QB ALA 20 lone 5 81 - 6 - 5900/2.9=2, 872/4.5=2, 872/2.1=1 H ALA 78 - QB ALA 20 lone 5 96 - 5 - H ARG 26 - QB ALA 77 lone 3 77 - 3 - H ASN 74 - QB ALA 53 lone 2 58 - 4 - H ASN 74 - QB ALA 20 lone 2 95 - 2 - H LEU 57 - QB ALA 77 lone 2 92 - 2 - H ARG 26 - QB ALA 78 lone 2 89 - 2 - H ALA 78 - QB ALA 53 lone 2 59 - 2 - H ARG 26 - QB ALA 20 lone 1 81 - 1 - H LEU 57 - QB ALA 78 lone 1 100 - 1 - H THR 88 - QB ALA 78 lone 1 89 - 1 - H THR 88 - QB ALA 77 lone 1 77 - 1 - H ILE 89 - QB ALA 20 lone 1 64 - 1 - H ILE 89 - QB ALA 78 lone 1 71 - 1 - H LEU 57 - QB ALA 20 lone 1 95 - 1 - H ILE 89 - QB ALA 77 lone 1 60 - 1 - H ILE 89 - QB ALA 53 lone 1 35 - 2 - H LEU 57 - QB ALA 53 lone 0 59 - 1 - H ARG 26 - QB ALA 53 lone 0 47 - 1 - H THR 88 - QB ALA 53 lone 0 47 - 1 - Peak 3186 from cnoeabs.peaks (4.21, 1.39, 18.67 ppm; 2.83 A): 2 out of 28 assignments used, quality = 1.00: * HA ALA 78 + QB ALA 78 OK 100 100 - 100 - 2.1=100 HA ALA 77 + QB ALA 77 OK 55 55 - 100 - 2.1=100 HA ALA 78 - QB ALA 77 OK 38 92 - 42 - 4.9=19, 2.9/355=8...(11) HA GLN 79 - QB ALA 78 OK 31 98 - 31 - 5.0=18, 3.0/5412=4...(7) HA ALA 77 - QB ALA 78 OK 20 65 - 30 - 3.6/821=9, 3.0/818=3...(10) HA GLN 79 - QB ALA 77 OK 15 88 - 17 - 5446/4.6=3, 5446=3...(7) HA LYS 73 - QB ALA 78 lone 4 69 - 6 - HA LYS 73 - QB ALA 77 lone 3 58 - 6 - 3.6/3185=2 HA ALA 78 - QB ALA 20 lone 3 96 - 3 - HA ALA 77 - QB ALA 20 lone 2 59 - 4 - HA LYS 85 - QB ALA 77 lone 2 65 - 3 - HA LYS 85 - QB ALA 78 lone 2 76 - 2 - HA ARG 84 - QB ALA 78 lone 2 78 - 2 - HB THR 37 - QB ALA 77 lone 1 77 - 2 - HA LYS 73 - QB ALA 53 lone 1 34 - 4 - HA GLN 79 - QB ALA 20 lone 1 92 - 1 - HA ARG 84 - QB ALA 77 lone 1 67 - 2 - HB THR 37 - QB ALA 20 lone 1 81 - 1 - HA ALA 78 - QB ALA 53 lone 1 59 - 2 - HB THR 37 - QB ALA 78 lone 1 89 - 1 - HA LYS 73 - QB ALA 20 lone 1 62 - 1 - HA LYS 85 - QB ALA 20 lone 1 69 - 1 - HB THR 37 - QB ALA 53 lone 1 47 - 1 - HA GLN 79 - QB ALA 53 lone 1 55 - 1 - HA ARG 84 - QB ALA 20 lone 0 71 - 1 - HA LYS 85 - QB ALA 53 lone 0 38 - 1 - HA ALA 77 - QB ALA 53 lone 0 32 - 1 - HA ARG 84 - QB ALA 53 lone 0 39 - 1 - Peak 3187 from cnoeabs.peaks (1.39, 1.39, 18.67 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QB ALA 78 + QB ALA 78 OK 100 100 - 100 QB ALA 20 + QB ALA 20 OK 91 91 - 100 QB ALA 77 + QB ALA 77 OK 85 85 - 100 QB ALA 53 + QB ALA 53 OK 58 58 - 100 Peak 3189 from cnoeabs.peaks (4.20, 4.20, 56.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLN 79 + HA GLN 79 OK 100 100 - 100 HA ARG 82 + HA ARG 82 OK 52 52 - 100 Peak 3190 from cnoeabs.peaks (1.97, 4.20, 56.12 ppm; 3.23 A): 2 out of 22 assignments used, quality = 1.00: * HB2 GLN 79 + HA GLN 79 OK 100 100 - 100 - 3.0=100 HB3 GLN 79 + HA GLN 79 OK 63 63 - 100 - 3.0=100 HB2 LEU 64 - HA ARG 82 poor 9 73 - 12 - 2622/3.0=2, 2623/3.8=2 HB2 GLN 79 - HA ARG 82 poor 8 74 - 10 - 3197=2, ~6050=2, 1.8/3205=1 HB3 ARG 66 - HA GLN 79 lone 7 71 - 10 - 2.8/3205=1 HG2 PRO 14 - HA GLN 79 lone 5 87 - 5 - HG3 PRO 14 - HA GLN 79 lone 5 87 - 5 - HB2 LEU 64 - HA GLN 79 lone 4 100 - 4 - HB3 GLN 79 - HA ARG 82 lone 4 39 - 9 - ~6050=2, 1.8/3197=1 HB2 ARG 70 - HA GLN 79 lone 3 96 - 3 - HB3 ARG 70 - HA GLN 79 lone 3 96 - 3 - HG LEU 57 - HA GLN 79 lone 3 96 - 3 - HG LEU 43 - HA GLN 79 lone 1 78 - 1 - QE MET 31 - HA GLN 79 lone 1 76 - 1 - HB2 ARG 70 - HA ARG 82 lone 1 66 - 2 - HB3 ARG 70 - HA ARG 82 lone 1 66 - 2 - HG LEU 57 - HA ARG 82 lone 1 66 - 1 - HB3 ARG 66 - HA ARG 82 lone 1 45 - 2 - HG2 PRO 14 - HA ARG 82 lone 1 58 - 1 - HG3 PRO 14 - HA ARG 82 lone 1 58 - 1 - QE MET 31 - HA ARG 82 lone 0 49 - 1 - HG LEU 43 - HA ARG 82 lone 0 51 - 1 - Peak 3191 from cnoeabs.peaks (1.99, 4.20, 56.12 ppm; 3.09 A): 2 out of 20 assignments used, quality = 1.00: * HB3 GLN 79 + HA GLN 79 OK 100 100 - 100 - 3.0=100 HB2 GLN 79 + HA GLN 79 OK 63 63 - 100 - 3.0=100 HG2 ARG 66 - HA GLN 79 lone 7 90 - 8 - 3205=1 HB3 GLN 79 - HA ARG 82 lone 7 74 - 9 - ~6050=1, 3205=1, 1.8/3197=1 HB2 LEU 64 - HA ARG 82 poor 5 49 - 10 - 2622/3.0=1, 2623/3.8=1 HG2 PRO 14 - HA GLN 79 lone 5 97 - 5 - HG3 PRO 14 - HA GLN 79 lone 5 97 - 5 - HB2 GLN 79 - HA ARG 82 lone 3 39 - 9 - ~6050=1, 1.8/3205=1 HB2 LEU 64 - HA GLN 79 lone 3 76 - 3 - HB VAL 90 - HA GLN 79 lone 2 73 - 2 - HG LEU 43 - HA GLN 79 lone 2 99 - 2 - QE MET 31 - HA GLN 79 lone 1 100 - 1 - HB3 MET 11 - HA GLN 79 lone 1 96 - 1 - HG2 ARG 66 - HA ARG 82 lone 1 61 - 2 - HB VAL 90 - HA ARG 82 lone 1 47 - 2 - HG2 PRO 14 - HA ARG 82 lone 1 69 - 1 - HG3 PRO 14 - HA ARG 82 lone 1 69 - 1 - QE MET 31 - HA ARG 82 lone 1 73 - 1 - HG LEU 43 - HA ARG 82 lone 1 72 - 1 - HB3 MET 11 - HA ARG 82 lone 0 66 - 0 - Peak 3192 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLN 79 + HA GLN 79 OK 97 100 - 97 - 3.7=95, 5415/3.0=11...(7) HG3 GLN 79 + HA GLN 79 OK 97 100 - 97 - 3.7=95, 5415/3.0=11...(7) HG2 GLN 79 - HA ARG 82 lone 5 74 - 6 - 3.0/3197=1, 3.0/3205=1 HG3 GLN 79 - HA ARG 82 lone 5 74 - 6 - 3.0/3197=1, 3.0/3205=1 HG3 GLU 59 - HA GLN 79 lone 2 100 - 2 - HG3 GLU 25 - HA GLN 79 lone 2 71 - 2 - HG3 GLU 59 - HA ARG 82 lone 0 73 - 1 - HG3 GLU 25 - HA ARG 82 lone 0 45 - 1 - Peak 3193 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLN 79 + HA GLN 79 OK 97 100 - 97 - 3.7=95, 5415/3.0=11...(7) * HG3 GLN 79 + HA GLN 79 OK 97 100 - 97 - 3.7=95, 5415/3.0=11...(7) HG2 GLN 79 - HA ARG 82 lone 5 74 - 6 - 3.0/3197=1, 3.0/3205=1 HG3 GLN 79 - HA ARG 82 lone 5 74 - 6 - 3.0/3197=1, 3.0/3205=1 HG3 GLU 59 - HA GLN 79 lone 2 100 - 2 - HG3 GLU 25 - HA GLN 79 lone 2 71 - 2 - HG3 GLU 59 - HA ARG 82 lone 0 73 - 1 - HG3 GLU 25 - HA ARG 82 lone 0 45 - 1 - Peak 3197 from cnoeabs.peaks (4.20, 1.97, 28.98 ppm; 3.55 A): 2 out of 14 assignments used, quality = 1.00: * HA GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 3.0=100 HA GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 3.0=100 HA ALA 78 - HB2 GLN 79 OK 25 98 - 26 - 3.6/824=11, ~5446=4...(8) HA ALA 78 - HB3 GLN 79 OK 13 59 - 22 - 3.6/5414=7, ~5446=4...(8) HA ARG 82 - HB2 GLN 79 poor 10 81 - 12 - ~6050=2, 3190=2...(5) HA ARG 82 - HB3 GLN 79 poor 5 44 - 11 - ~6050=2, 3190/1.8=1...(5) HA ARG 84 - HB2 GLN 79 lone 5 95 - 5 - HA LYS 73 - HB2 GLN 79 lone 3 87 - 4 - HA ARG 84 - HB3 GLN 79 lone 3 55 - 5 - HA LYS 73 - HB3 GLN 79 lone 2 48 - 4 - HB THR 37 - HB2 GLN 79 lone 1 68 - 1 - HA ILE 89 - HB2 GLN 79 lone 1 63 - 1 - HB THR 37 - HB3 GLN 79 lone 1 36 - 1 - HA ILE 89 - HB3 GLN 79 lone 0 32 - 1 - Peak 3198 from cnoeabs.peaks (1.97, 1.97, 28.98 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 79 + HB2 GLN 79 OK 100 100 - 100 HB3 GLN 79 - HB3 GLN 79 OK 32 32 - 100 Peak 3199 from cnoeabs.peaks (1.99, 1.97, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HB3 GLN 79 + HB3 GLN 79 OK 63 63 - 100 HB2 GLN 79 + HB2 GLN 79 OK 63 63 - 100 Reference assignment not found: HB3 GLN 79 - HB2 GLN 79 Peak 3200 from cnoeabs.peaks (2.33, 1.97, 28.98 ppm; 3.48 A): 4 out of 8 assignments used, quality = 1.00: * HG2 GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 3.0=100 HG3 GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLU 59 - HB2 GLN 79 lone 2 100 - 2 - HG3 GLU 59 - HB3 GLN 79 lone 1 62 - 2 - HG3 GLU 25 - HB2 GLN 79 lone 1 71 - 2 - HG3 GLU 25 - HB3 GLN 79 lone 1 37 - 2 - Peak 3201 from cnoeabs.peaks (2.33, 1.97, 28.98 ppm; 3.48 A): 4 out of 8 assignments used, quality = 1.00: HG2 GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 3.0=100 * HG3 GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLU 59 - HB2 GLN 79 lone 2 100 - 2 - HG3 GLU 59 - HB3 GLN 79 lone 1 62 - 2 - HG3 GLU 25 - HB2 GLN 79 lone 1 71 - 2 - HG3 GLU 25 - HB3 GLN 79 lone 1 37 - 2 - Peak 3204 from cnoeabs.peaks (8.22, 1.99, 28.98 ppm; 4.56 A): 2 out of 24 assignments used, quality = 1.00: * H GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 4.0=100 H GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 4.0=100 H ALA 77 - HB3 GLN 79 OK 27 98 - 27 - 5445/3.0=6, 3.6/2699=4...(10) H ALA 77 - HB2 GLN 79 OK 20 59 - 35 - 3.6/16044=20, 5445/3.0=6...(7) H ALA 28 - HG2 ARG 66 OK 14 88 - 15 - ~2707=1, ~4837=1...(7) H THR 15 - HB3 GLN 79 lone 9 95 - 9 - 5906=2, 5906/1.8=1...(4) H GLN 79 - HG2 ARG 66 lone 8 89 - 9 - 3.0/3205=2, 5414=2 H THR 15 - HG2 ARG 66 lone 7 80 - 9 - 5906=2, 12/2.8=2...(5) H ALA 28 - HB3 GLN 79 lone 7 100 - 7 - 5445/3.0=1 H ARG 84 - HB3 GLN 79 lone 6 87 - 7 - 5445/3.0=2 H ALA 77 - HG2 ARG 66 lone 5 85 - 6 - 3.6/2699=1, 349/4.1=1 H GLU 25 - HG2 ARG 66 lone 5 75 - 7 - 4833/2.8=1 H ALA 12 - HG2 ARG 66 lone 5 64 - 8 - 4.1/965=3, 3.6/960=3 H THR 15 - HB2 GLN 79 lone 5 55 - 9 - 5906/1.8=2, 5906=1, 4.0/1103=1 H GLU 25 - HB3 GLN 79 lone 5 90 - 5 - 524/3.0=1, 524/3.0=1 H ALA 28 - HB2 GLN 79 lone 4 62 - 7 - 3984/16044=1, 5445/3.0=1 H ARG 84 - HB2 GLN 79 lone 3 48 - 6 - 5445/3.0=2 H SER 22 - HB3 GLN 79 lone 3 99 - 3 - H GLU 25 - HB2 GLN 79 lone 3 51 - 5 - 524/3.0=1, 524/3.0=1 H SER 22 - HG2 ARG 66 lone 3 87 - 3 - H ARG 84 - HG2 ARG 66 lone 2 72 - 3 - H ALA 12 - HB3 GLN 79 lone 2 78 - 3 - H SER 22 - HB2 GLN 79 lone 2 61 - 3 - H ALA 12 - HB2 GLN 79 lone 1 42 - 2 - Peak 3205 from cnoeabs.peaks (4.20, 1.99, 28.98 ppm; 3.60 A): 2 out of 21 assignments used, quality = 1.00: * HA GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 3.0=100 HA GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 3.0=100 HA ALA 78 - HB3 GLN 79 OK 26 98 - 27 - 3.6/5414=12, ~5446=5...(8) HA ALA 78 - HB2 GLN 79 OK 13 59 - 23 - 3.6/5414=7, ~5446=5...(8) HA GLN 79 - HG2 ARG 66 OK 11 89 - 12 - 3191=2, ~2710=1, 3190/2.8=1 HA ARG 82 - HB3 GLN 79 OK 10 81 - 13 - ~6050=2, 3191=2...(5) HA ARG 82 - HB2 GLN 79 poor 5 44 - 12 - ~6050=2, 3191/1.8=1...(5) HA ARG 84 - HB3 GLN 79 lone 5 95 - 5 - HA LYS 73 - HB3 GLN 79 lone 3 87 - 4 - HA ARG 84 - HB2 GLN 79 lone 3 55 - 5 - HA LYS 73 - HB2 GLN 79 lone 2 48 - 4 - HA ARG 82 - HG2 ARG 66 lone 2 66 - 2 - HA ARG 84 - HG2 ARG 66 lone 1 80 - 2 - HA ALA 78 - HG2 ARG 66 lone 1 85 - 1 - HB THR 37 - HB3 GLN 79 lone 1 68 - 1 - HA LYS 73 - HG2 ARG 66 lone 1 72 - 1 - HA ILE 89 - HB3 GLN 79 lone 1 63 - 1 - HA ILE 89 - HG2 ARG 66 lone 1 50 - 2 - HB THR 37 - HG2 ARG 66 lone 1 55 - 1 - HB THR 37 - HB2 GLN 79 lone 1 36 - 1 - HA ILE 89 - HB2 GLN 79 lone 0 32 - 1 - Peak 3206 from cnoeabs.peaks (1.97, 1.99, 28.98 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HB3 GLN 79 + HB3 GLN 79 OK 63 63 - 100 HB2 GLN 79 + HB2 GLN 79 OK 63 63 - 100 Reference assignment not found: HB2 GLN 79 - HB3 GLN 79 Peak 3207 from cnoeabs.peaks (1.99, 1.99, 28.98 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 GLN 79 + HB3 GLN 79 OK 100 100 - 100 HG2 ARG 66 + HG2 ARG 66 OK 75 75 - 100 HB2 GLN 79 - HB2 GLN 79 OK 32 32 - 100 Peak 3208 from cnoeabs.peaks (2.33, 1.99, 28.98 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * HG2 GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 3.0=100 HG2 GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 3.0=100 HG2 GLN 79 - HG2 ARG 66 OK 10 89 - 12 - 3215=1 HG3 GLN 79 - HG2 ARG 66 OK 10 89 - 12 - 3223=1 HG3 GLU 59 - HB3 GLN 79 lone 3 100 - 2 - HG3 GLU 59 - HB2 GLN 79 lone 1 62 - 2 - HG3 GLU 25 - HB3 GLN 79 lone 1 71 - 2 - HG3 GLU 59 - HG2 ARG 66 lone 1 89 - 1 - HG3 GLU 25 - HG2 ARG 66 lone 1 57 - 1 - HG3 GLU 25 - HB2 GLN 79 lone 1 37 - 2 - Peak 3209 from cnoeabs.peaks (2.33, 1.99, 28.98 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: HG2 GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 3.0=100 * HG3 GLN 79 + HB3 GLN 79 OK 100 100 - 100 - 3.0=100 HG2 GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 3.0=100 HG3 GLN 79 + HB2 GLN 79 OK 63 63 - 100 - 3.0=100 HG2 GLN 79 - HG2 ARG 66 OK 10 89 - 12 - 3215=1 HG3 GLN 79 - HG2 ARG 66 OK 10 89 - 12 - 3223=1 HG3 GLU 59 - HB3 GLN 79 lone 3 100 - 2 - HG3 GLU 59 - HB2 GLN 79 lone 1 62 - 2 - HG3 GLU 25 - HB3 GLN 79 lone 1 71 - 2 - HG3 GLU 59 - HG2 ARG 66 lone 1 89 - 1 - HG3 GLU 25 - HG2 ARG 66 lone 1 57 - 1 - HG3 GLU 25 - HB2 GLN 79 lone 1 37 - 2 - Peak 3214 from cnoeabs.peaks (1.97, 2.33, 33.49 ppm; 3.32 A): 4 out of 22 assignments used, quality = 1.00: HB2 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.0=100 * HB2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 - 100 - 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 - 100 - 3.0=100 HB3 ARG 66 - HG3 GLN 79 poor 8 71 - 11 - HB3 ARG 66 - HG2 GLN 79 poor 8 71 - 11 - HG2 PRO 14 - HG2 GLN 79 lone 4 87 - 5 - HG3 PRO 14 - HG3 GLN 79 lone 4 87 - 5 - HG3 PRO 14 - HG2 GLN 79 lone 4 87 - 5 - HG2 PRO 14 - HG3 GLN 79 lone 4 87 - 5 - HB2 LEU 64 - HG3 GLN 79 lone 3 100 - 3 - HB2 LEU 64 - HG2 GLN 79 lone 3 100 - 3 - HB2 ARG 70 - HG3 GLN 79 lone 3 96 - 3 - HB3 ARG 70 - HG2 GLN 79 lone 3 96 - 3 - HB3 ARG 70 - HG3 GLN 79 lone 3 96 - 3 - HB2 ARG 70 - HG2 GLN 79 lone 3 96 - 3 - HG LEU 57 - HG3 GLN 79 lone 3 96 - 3 - HG LEU 57 - HG2 GLN 79 lone 3 96 - 3 - HG LEU 43 - HG2 GLN 79 lone 1 78 - 2 - HG LEU 43 - HG3 GLN 79 lone 1 78 - 2 - QE MET 31 - HG2 GLN 79 lone 1 76 - 2 - QE MET 31 - HG3 GLN 79 lone 1 76 - 2 - Peak 3215 from cnoeabs.peaks (1.99, 2.33, 33.49 ppm; 3.15 A): 4 out of 20 assignments used, quality = 1.00: * HB3 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.0=100 HB2 GLN 79 + HG3 GLN 79 OK 63 63 - 100 - 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 63 63 - 100 - 3.0=100 HG2 ARG 66 - HG3 GLN 79 lone 8 90 - 9 - 3209=1 HG2 ARG 66 - HG2 GLN 79 lone 8 90 - 9 - 3209=1 HG2 PRO 14 - HG3 GLN 79 lone 4 97 - 4 - HG2 PRO 14 - HG2 GLN 79 lone 4 97 - 4 - HG3 PRO 14 - HG3 GLN 79 lone 4 97 - 4 - HG3 PRO 14 - HG2 GLN 79 lone 4 97 - 4 - HB2 LEU 64 - HG3 GLN 79 lone 2 76 - 2 - HB2 LEU 64 - HG2 GLN 79 lone 2 76 - 2 - QE MET 31 - HG2 GLN 79 lone 2 100 - 2 - QE MET 31 - HG3 GLN 79 lone 2 100 - 2 - HG LEU 43 - HG2 GLN 79 lone 2 99 - 1 - HG LEU 43 - HG3 GLN 79 lone 2 99 - 1 - HB VAL 90 - HG2 GLN 79 lone 2 73 - 2 - HB VAL 90 - HG3 GLN 79 lone 2 73 - 2 - HB3 MET 11 - HG3 GLN 79 lone 1 96 - 1 - HB3 MET 11 - HG2 GLN 79 lone 1 96 - 1 - Peak 3216 from cnoeabs.peaks (2.33, 2.33, 33.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 * HG2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 Peak 3217 from cnoeabs.peaks (2.33, 2.33, 33.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 HG2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 Reference assignment not found: HG3 GLN 79 - HG2 GLN 79 Peak 3222 from cnoeabs.peaks (1.97, 2.33, 33.49 ppm; 3.32 A): 4 out of 22 assignments used, quality = 1.00: * HB2 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 - 100 - 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 - 100 - 3.0=100 HB3 ARG 66 - HG3 GLN 79 poor 8 71 - 11 - HB3 ARG 66 - HG2 GLN 79 poor 8 71 - 11 - HG2 PRO 14 - HG2 GLN 79 lone 4 87 - 5 - HG3 PRO 14 - HG3 GLN 79 lone 4 87 - 5 - HG3 PRO 14 - HG2 GLN 79 lone 4 87 - 5 - HG2 PRO 14 - HG3 GLN 79 lone 4 87 - 5 - HB2 LEU 64 - HG3 GLN 79 lone 3 100 - 3 - HB2 LEU 64 - HG2 GLN 79 lone 3 100 - 3 - HB2 ARG 70 - HG3 GLN 79 lone 3 96 - 3 - HB3 ARG 70 - HG2 GLN 79 lone 3 96 - 3 - HB3 ARG 70 - HG3 GLN 79 lone 3 96 - 3 - HB2 ARG 70 - HG2 GLN 79 lone 3 96 - 3 - HG LEU 57 - HG3 GLN 79 lone 3 96 - 3 - HG LEU 57 - HG2 GLN 79 lone 3 96 - 3 - HG LEU 43 - HG2 GLN 79 lone 1 78 - 2 - HG LEU 43 - HG3 GLN 79 lone 1 78 - 2 - QE MET 31 - HG2 GLN 79 lone 1 76 - 2 - QE MET 31 - HG3 GLN 79 lone 1 76 - 2 - Peak 3223 from cnoeabs.peaks (1.99, 2.33, 33.49 ppm; 3.15 A): 4 out of 20 assignments used, quality = 1.00: HB3 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.0=100 * HB3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.0=100 HB2 GLN 79 + HG3 GLN 79 OK 63 63 - 100 - 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 63 63 - 100 - 3.0=100 HG2 ARG 66 - HG3 GLN 79 lone 8 90 - 9 - 3209=1 HG2 ARG 66 - HG2 GLN 79 lone 8 90 - 9 - 3209=1 HG2 PRO 14 - HG3 GLN 79 lone 4 97 - 4 - HG2 PRO 14 - HG2 GLN 79 lone 4 97 - 4 - HG3 PRO 14 - HG3 GLN 79 lone 4 97 - 4 - HG3 PRO 14 - HG2 GLN 79 lone 4 97 - 4 - HB2 LEU 64 - HG3 GLN 79 lone 2 76 - 2 - HB2 LEU 64 - HG2 GLN 79 lone 2 76 - 2 - QE MET 31 - HG2 GLN 79 lone 2 100 - 2 - QE MET 31 - HG3 GLN 79 lone 2 100 - 2 - HG LEU 43 - HG2 GLN 79 lone 2 99 - 1 - HG LEU 43 - HG3 GLN 79 lone 2 99 - 1 - HB VAL 90 - HG2 GLN 79 lone 2 73 - 2 - HB VAL 90 - HG3 GLN 79 lone 2 73 - 2 - HB3 MET 11 - HG3 GLN 79 lone 1 96 - 1 - HB3 MET 11 - HG2 GLN 79 lone 1 96 - 1 - Peak 3224 from cnoeabs.peaks (2.33, 2.33, 33.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 HG2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 Reference assignment not found: HG2 GLN 79 - HG3 GLN 79 Peak 3225 from cnoeabs.peaks (2.33, 2.33, 33.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 79 + HG3 GLN 79 OK 100 100 - 100 HG2 GLN 79 + HG2 GLN 79 OK 100 100 - 100 Peak 3228 from cnoeabs.peaks (4.18, 4.18, 56.27 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ARG 82 + HA ARG 82 OK 100 100 - 100 HA ARG 84 + HA ARG 84 OK 78 78 - 100 HA LYS 73 + HA LYS 73 OK 57 57 - 100 HA GLN 79 + HA GLN 79 OK 56 56 - 100 Peak 3229 from cnoeabs.peaks (1.69, 4.18, 56.27 ppm; 3.30 A): 1 out of 48 assignments used, quality = 1.00: * HB2 ARG 82 + HA ARG 82 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 - HA ARG 82 OK 15 100 - 15 - 3.0/5885=2, 2630/3.8=2...(6) HB3 LYS 85 - HA ARG 84 OK 12 44 - 27 - 4.0/377=9, 6062=3...(8) HB2 LEU 29 - HA ARG 84 OK 11 56 - 19 - 1484=2, 3.0/1498=1...(5) HB2 LEU 29 - HA ARG 82 OK 10 78 - 13 - 1484=2, 1487/3.0=1...(4) HB3 LYS 83 - HA ARG 82 OK 10 76 - 13 - 833/3.6=5, 6062=2...(4) HG LEU 29 - HA ARG 84 OK 10 60 - 17 - 1499/3.0=2, 3.0/1484=2...(4) HB3 LYS 83 - HA ARG 84 poor 10 54 - 18 - 369/3.0=4, ~368=2...(7) HG LEU 29 - HA ARG 82 poor 9 83 - 11 - 1498=1, 3.0/1484=1, 5477/3.0=1 HG2 ARG 23 - HA ARG 82 poor 9 73 - 13 - 1.8/5885=2, ~5480=1 HB2 ARG 82 - HA ARG 84 poor 9 81 - 11 - 3235=3, 4.0/5473=1...(4) HB2 LEU 29 - HA LYS 73 poor 8 38 - 21 - 1484=3, 3764/3.0=2...(8) HB2 ARG 82 - HA GLN 79 lone 7 76 - 10 - 3235=2, 4.0/5473=2 HB3 LYS 85 - HA LYS 73 poor 7 29 - 25 - 6062=3, 1.8/2969=2...(8) HG LEU 29 - HA LYS 73 poor 7 41 - 17 - 1498=2, 3.0/1484=2...(7) HB2 ARG 82 - HA LYS 73 poor 7 57 - 12 - 3235=3, 4.0/5473=1...(5) HB3 LYS 13 - HA LYS 73 poor 6 50 - 13 - 1011/3.0=2, 1014/3.8=1...(4) HG3 ARG 66 - HA GLN 79 lone 6 76 - 8 - 2710/3.0=2, 1.8/3205=1 HG2 ARG 70 - HA ARG 84 lone 5 70 - 7 - 5488/3.6=2 HB3 LYS 85 - HA ARG 82 lone 4 63 - 7 - 3297/3.6=3 HD2 LYS 13 - HA LYS 73 poor 4 28 - 16 - 2.9/2989=1 HD3 LYS 13 - HA LYS 73 poor 4 28 - 16 - 2.9/2989=1 HB3 LEU 64 - HA ARG 84 lone 4 80 - 5 - HB3 LEU 64 - HA GLN 79 lone 3 76 - 4 - HB3 LYS 13 - HA ARG 82 lone 3 94 - 3 - HB3 LYS 83 - HA LYS 73 lone 3 37 - 9 - 4.3/841=1, 4.0/359=1, 6062=1 HG2 ARG 70 - HA LYS 73 lone 3 49 - 5 - HB3 LYS 83 - HA GLN 79 lone 2 50 - 5 - HG2 ARG 70 - HA ARG 82 lone 2 93 - 2 - HB3 LYS 13 - HA ARG 84 lone 2 72 - 3 - HG3 ARG 66 - HA ARG 82 lone 2 100 - 2 - HG2 ARG 70 - HA GLN 79 lone 2 66 - 3 - HB3 LEU 64 - HA LYS 73 lone 2 57 - 3 - HB3 LYS 85 - HA GLN 79 lone 2 41 - 4 - HG2 ARG 23 - HA ARG 84 lone 2 52 - 3 - HD3 LYS 13 - HA ARG 82 lone 1 60 - 2 - HD2 LYS 13 - HA ARG 82 lone 1 60 - 2 - HG3 ARG 66 - HA ARG 84 lone 1 81 - 1 - HB3 LYS 13 - HA GLN 79 lone 1 67 - 1 - HD3 LYS 13 - HA ARG 84 lone 1 42 - 2 - HD2 LYS 13 - HA ARG 84 lone 1 42 - 2 - HG3 ARG 66 - HA LYS 73 lone 1 57 - 1 - HG2 ARG 23 - HA LYS 73 lone 1 35 - 2 - HG LEU 29 - HA GLN 79 lone 1 56 - 1 - HB2 LEU 29 - HA GLN 79 lone 0 52 - 1 - HG2 ARG 23 - HA GLN 79 lone 0 48 - 1 - HD2 LYS 13 - HA GLN 79 lone 0 39 - 1 - HD3 LYS 13 - HA GLN 79 lone 0 39 - 1 - Peak 3230 from cnoeabs.peaks (1.76, 4.18, 56.27 ppm; 3.15 A): 2 out of 68 assignments used, quality = 1.00: * HB3 ARG 82 + HA ARG 82 OK 100 100 - 100 - 3.0=100 HB3 LYS 73 + HA LYS 73 OK 51 51 - 100 - 3.0=100 HB2 ARG 54 - HA ARG 82 OK 17 100 - 17 - 5476/3.0=2, 1.8/5885=2...(7) HB3 LYS 73 - HA ARG 84 OK 14 73 - 19 - 1.8/2969=2, 2979=2...(5) HB2 LYS 32 - HA LYS 73 OK 12 55 - 23 - 3242=2, 788/3.0=2...(5) HB3 LYS 32 - HA LYS 73 OK 12 55 - 23 - 3242=2, 788/3.0=2...(5) HB2 LYS 83 - HA ARG 82 OK 12 90 - 14 - 361/3.6=6, 1.8/6062=2...(5) HB2 LYS 83 - HA ARG 84 OK 12 67 - 17 - 368/3.0=3, 1.8/6062=3...(6) HB3 LYS 73 - HA ARG 82 OK 12 96 - 12 - 361/3.6=1, 2979=1...(4) HB3 LYS 75 - HA LYS 73 poor 10 38 - 26 - 4.6/5431=3, 2979=2...(10) HG2 PRO 34 - HA ARG 82 lone 8 99 - 8 - HB3 LYS 32 - HA ARG 82 lone 8 99 - 8 - HB2 LYS 32 - HA ARG 82 lone 8 99 - 8 - HB2 PRO 34 - HA ARG 82 lone 8 93 - 8 - HB3 ARG 82 - HA ARG 84 lone 8 81 - 9 - 1.8/3235=2, 4.0/5473=1 HB3 LYS 39 - HA ARG 82 lone 7 89 - 8 - HG3 ARG 71 - HA ARG 84 lone 7 70 - 10 - 2928/3.6=1 HB3 ARG 82 - HA GLN 79 lone 7 76 - 9 - 1.8/3235=2, 4.0/5473=2 HB2 LEU 57 - HA LYS 73 poor 7 57 - 11 - 2435/3.6=3, ~789=1...(4) HB3 ARG 82 - HA LYS 73 poor 6 57 - 11 - 1.8/3235=2, 4.0/5473=1...(4) HB2 LYS 32 - HA ARG 84 lone 5 77 - 7 - HB3 LYS 32 - HA ARG 84 lone 5 77 - 7 - HB2 ARG 54 - HA LYS 73 lone 5 57 - 9 - ~5987=1, 4.1/208=1 HB3 LYS 39 - HA LYS 73 poor 5 45 - 11 - 2979=1 HB2 LYS 83 - HA LYS 73 lone 4 46 - 9 - 1.8/6062=1, 4.3/841=1, 4.0/359=1 HB2 LYS 13 - HA LYS 73 poor 4 35 - 12 - 2979=1 HG3 ARG 71 - HA LYS 73 lone 4 49 - 9 - HB3 LYS 75 - HA ARG 84 lone 4 56 - 7 - HB3 ARG 17 - HA ARG 84 lone 4 56 - 7 - HB2 LEU 62 - HA LYS 73 lone 4 42 - 9 - 3907/3.0=1 HB3 LYS 73 - HA GLN 79 lone 4 68 - 5 - HB3 LYS 39 - HA ARG 84 lone 3 66 - 5 - HG3 ARG 26 - HA ARG 84 lone 3 66 - 5 - HB3 LYS 75 - HA ARG 82 lone 3 78 - 4 - HG3 ARG 71 - HA ARG 82 lone 3 93 - 3 - HB3 LYS 75 - HA GLN 79 lone 3 52 - 6 - 4.6/5431=2 HB2 LEU 62 - HA ARG 84 lone 3 62 - 4 - HB2 LYS 83 - HA GLN 79 lone 3 63 - 4 - HB ILE 33 - HA LYS 73 lone 3 57 - 4 - HB2 ARG 54 - HA ARG 84 lone 2 81 - 3 - HB ILE 33 - HA ARG 82 lone 2 100 - 2 - HB2 LYS 13 - HA ARG 82 lone 2 73 - 3 - HB2 LEU 62 - HA ARG 82 lone 2 85 - 2 - HG2 PRO 34 - HA LYS 73 lone 2 56 - 3 - HB2 LEU 57 - HA ARG 82 lone 2 100 - 2 - HG2 PRO 34 - HA ARG 84 lone 2 79 - 2 - HB3 ARG 17 - HA ARG 82 lone 2 78 - 2 - HB2 PRO 34 - HA ARG 84 lone 2 70 - 2 - HB2 LYS 13 - HA ARG 84 lone 2 52 - 3 - HB2 LEU 57 - HA GLN 79 lone 1 76 - 2 - HB2 ARG 54 - HA GLN 79 lone 1 76 - 2 - HG3 ARG 26 - HA ARG 82 lone 1 89 - 2 - HB2 PRO 34 - HA LYS 73 lone 1 49 - 3 - HG3 ARG 26 - HA LYS 73 lone 1 45 - 3 - HB ILE 33 - HA ARG 84 lone 1 80 - 1 - HB3 ARG 17 - HA LYS 73 lone 1 38 - 3 - HB2 LEU 57 - HA ARG 84 lone 1 81 - 1 - HB2 LYS 32 - HA GLN 79 lone 1 73 - 1 - HB3 LYS 32 - HA GLN 79 lone 1 73 - 1 - HB3 LYS 39 - HA GLN 79 lone 1 61 - 1 - HB2 PRO 34 - HA GLN 79 lone 1 66 - 1 - HG2 PRO 34 - HA GLN 79 lone 1 74 - 1 - HG3 ARG 71 - HA GLN 79 lone 0 66 - 1 - HG3 ARG 26 - HA GLN 79 lone 0 61 - 1 - HB ILE 33 - HA GLN 79 lone 0 76 - 1 - HB2 LYS 13 - HA GLN 79 lone 0 48 - 1 - HB2 LEU 62 - HA GLN 79 lone 0 58 - 1 - HB3 ARG 17 - HA GLN 79 lone 0 52 - 1 - Peak 3235 from cnoeabs.peaks (4.18, 1.69, 30.45 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * HA ARG 82 + HB2 ARG 82 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 ARG 82 OK 13 100 - 13 - 5473/4.0=2, 359/4.4=2...(5) HA LEU 29 - HB2 ARG 82 OK 13 89 - 15 - 3.0/1487=1, 1480=1...(5) HA ARG 84 - HB2 ARG 82 OK 13 99 - 13 - 5473/4.0=2, 359/4.4=2...(4) HA GLN 79 - HB2 ARG 82 OK 11 83 - 13 - 6050/4.0=3, 6051/1.8=2, 3229=1 HA ILE 89 - HB2 ARG 82 lone 4 99 - 4 - HB THR 15 - HB2 ARG 82 lone 3 97 - 3 - HA ALA 53 - HB2 ARG 82 lone 3 93 - 3 - HA ALA 78 - HB2 ARG 82 lone 2 60 - 3 - 5473/4.0=2 Peak 3236 from cnoeabs.peaks (1.69, 1.69, 30.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 82 + HB2 ARG 82 OK 100 100 - 100 Peak 3237 from cnoeabs.peaks (1.76, 1.69, 30.45 ppm; 2.40 A): 1 out of 17 assignments used, quality = 1.00: * HB3 ARG 82 + HB2 ARG 82 OK 100 100 - 100 - 1.8=100 HB2 ARG 54 - HB2 ARG 82 lone 7 100 - 7 - 1.8/5480=2 HB2 LYS 83 - HB2 ARG 82 lone 6 90 - 6 - 361/4.4=2 HB3 LYS 73 - HB2 ARG 82 lone 5 96 - 5 - HB2 PRO 34 - HB2 ARG 82 lone 4 93 - 4 - HG2 PRO 34 - HB2 ARG 82 lone 4 99 - 4 - HB3 LYS 39 - HB2 ARG 82 lone 3 89 - 4 - HB2 LYS 32 - HB2 ARG 82 lone 3 99 - 3 - HB3 LYS 32 - HB2 ARG 82 lone 3 99 - 3 - HG3 ARG 71 - HB2 ARG 82 lone 2 93 - 2 - HB ILE 33 - HB2 ARG 82 lone 1 100 - 1 - HB3 LYS 75 - HB2 ARG 82 lone 1 78 - 2 - HB2 LYS 13 - HB2 ARG 82 lone 1 73 - 2 - HB3 ARG 17 - HB2 ARG 82 lone 1 78 - 1 - HB2 LEU 62 - HB2 ARG 82 lone 1 85 - 1 - HB2 LEU 57 - HB2 ARG 82 lone 1 100 - 1 - HG3 ARG 26 - HB2 ARG 82 lone 1 89 - 1 - Peak 3242 from cnoeabs.peaks (4.18, 1.76, 30.45 ppm; 3.78 A): 1 out of 45 assignments used, quality = 1.00: * HA ARG 82 + HB3 ARG 82 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 LYS 32 OK 27 80 - 34 - 5188/4.3=3, ~5987=3...(14) HA LYS 73 - HB3 LYS 32 OK 27 80 - 34 - 5188/4.3=3, ~5987=3...(14) HA LEU 29 - HB2 LYS 32 OK 22 65 - 34 - 5188/4.3=11, 4205/4.0=4...(12) HA LEU 29 - HB3 LYS 32 OK 22 65 - 34 - 5188/4.3=11, 4205/4.0=4...(12) HA LYS 73 - HB3 ARG 82 OK 14 100 - 14 - 5473/4.0=2, 359/4.4=2 HA LEU 29 - HB3 ARG 82 OK 13 89 - 15 - 1480/1.8=1, 5473/4.0=1...(4) HA ARG 84 - HB3 ARG 82 OK 12 99 - 12 - 5473/4.0=2, 359/4.4=2...(4) HA ARG 82 - HB2 PRO 34 OK 12 91 - 13 - 6051=1, 3.0/5476=1...(4) HA GLN 79 - HB3 ARG 82 OK 11 83 - 14 - 6050/4.0=3, 6051=2 HA ARG 82 - HB2 LYS 32 poor 9 80 - 12 - 6051=1, 3.0/5476=1, 6051/1.8=1 HA ARG 82 - HB3 LYS 32 poor 9 80 - 12 - 6051=1, 3.0/5476=1, 6051/1.8=1 HA ALA 53 - HB3 LYS 32 poor 9 70 - 13 - 3.6/676=2, 4.8/2301=2...(6) HA ALA 53 - HB2 LYS 32 poor 9 70 - 13 - 3.6/676=2, 4.8/2301=2...(6) HA ARG 84 - HB2 LYS 32 poor 9 78 - 11 - HA ARG 84 - HB3 LYS 32 poor 9 78 - 11 - HA ARG 84 - HB3 ARG 17 poor 8 69 - 12 - HA ILE 89 - HB3 ARG 82 lone 5 99 - 5 - HA ILE 89 - HB3 ARG 17 lone 5 68 - 7 - 3599/1.8=1 HA ALA 53 - HB3 ARG 82 lone 5 93 - 5 - HA LYS 73 - HB2 PRO 34 lone 4 91 - 5 - HA ALA 53 - HB2 PRO 34 lone 4 81 - 5 - 3.6/676=1, 4.8/2301=1 HA LYS 73 - HB3 ARG 17 lone 4 71 - 5 - HA ILE 89 - HB2 LYS 32 lone 3 77 - 4 - 5179/4.3=1 HA ILE 89 - HB3 LYS 32 lone 3 77 - 4 - 5179/4.3=1 HA ARG 84 - HB2 PRO 34 lone 3 88 - 4 - HB THR 15 - HB3 ARG 82 lone 3 97 - 3 - HA ALA 78 - HB3 ARG 82 lone 3 60 - 5 - 5473/4.0=2 HA ARG 82 - HB3 ARG 17 lone 3 71 - 3 - HA LEU 29 - HB2 PRO 34 lone 2 76 - 3 - HA LEU 29 - HB3 ARG 17 lone 2 57 - 3 - HA GLN 79 - HB2 LYS 32 lone 1 60 - 2 - HA GLN 79 - HB3 LYS 32 lone 1 60 - 2 - HA ILE 89 - HB2 PRO 34 lone 1 88 - 1 - HA GLN 79 - HB2 PRO 34 lone 1 70 - 2 - HB THR 15 - HB2 LYS 32 lone 1 75 - 1 - HB THR 15 - HB3 LYS 32 lone 1 75 - 1 - HB THR 15 - HB3 ARG 17 lone 1 66 - 2 - HA ALA 53 - HB3 ARG 17 lone 1 61 - 1 - HB THR 15 - HB2 PRO 34 lone 1 86 - 1 - HA ALA 78 - HB3 LYS 32 lone 1 41 - 2 - HA ALA 78 - HB2 LYS 32 lone 1 41 - 2 - HA ALA 78 - HB2 PRO 34 lone 1 49 - 1 - HA GLN 79 - HB3 ARG 17 lone 1 52 - 1 - HA ALA 78 - HB3 ARG 17 lone 0 36 - 1 - Peak 3243 from cnoeabs.peaks (1.69, 1.76, 30.45 ppm; 2.40 A): 1 out of 60 assignments used, quality = 1.00: * HB2 ARG 82 + HB3 ARG 82 OK 100 100 - 100 - 1.8=100 HB3 LEU 64 - HB3 ARG 82 OK 10 100 - 10 - 2630/2.9=1 HB2 LEU 29 - HB3 ARG 82 lone 5 78 - 6 - HB3 LYS 83 - HB3 ARG 82 lone 5 76 - 7 - 4.0/361=2 HG2 ARG 23 - HB3 ARG 82 lone 5 73 - 7 - ~5480=1 HB3 LEU 64 - HB3 ARG 17 lone 5 71 - 7 - 3916/4.0=1, 2627/3.0=1 HG2 ARG 70 - HB3 LYS 32 lone 5 70 - 7 - HG2 ARG 70 - HB2 LYS 32 lone 5 70 - 7 - HG LEU 29 - HB3 ARG 82 lone 4 83 - 5 - HB2 ARG 82 - HB2 PRO 34 lone 4 91 - 4 - HB3 LYS 13 - HB3 LYS 32 lone 3 71 - 4 - HB3 LYS 13 - HB2 LYS 32 lone 3 71 - 4 - HG3 ARG 66 - HB3 LYS 32 lone 3 80 - 3 - HG3 ARG 66 - HB2 LYS 32 lone 3 80 - 3 - HB2 ARG 82 - HB3 LYS 32 lone 3 80 - 3 - HB2 ARG 82 - HB2 LYS 32 lone 3 80 - 3 - HB2 LEU 29 - HB3 LYS 32 lone 2 56 - 4 - HB2 LEU 29 - HB2 LYS 32 lone 2 56 - 4 - HB3 LYS 13 - HB3 ARG 82 lone 2 95 - 2 - HB3 LYS 85 - HB3 ARG 82 lone 2 63 - 3 - 3297/4.4=1 HB3 LEU 64 - HB3 LYS 32 lone 2 80 - 2 - HB3 LEU 64 - HB2 LYS 32 lone 2 80 - 2 - HG2 ARG 23 - HB3 ARG 17 lone 2 45 - 4 - HG LEU 29 - HB2 LYS 32 lone 2 60 - 3 - HG LEU 29 - HB3 LYS 32 lone 2 60 - 3 - HB3 LYS 13 - HB2 PRO 34 lone 2 82 - 2 - HG2 ARG 70 - HB3 ARG 17 lone 2 61 - 3 - HD2 LYS 13 - HB2 LYS 32 lone 1 41 - 3 - HD3 LYS 13 - HB3 LYS 32 lone 1 41 - 3 - HD2 LYS 13 - HB3 LYS 32 lone 1 41 - 3 - HD3 LYS 13 - HB2 LYS 32 lone 1 41 - 3 - HG3 ARG 66 - HB2 PRO 34 lone 1 91 - 1 - HG3 ARG 66 - HB3 ARG 82 lone 1 100 - 1 - HG2 ARG 70 - HB3 ARG 82 lone 1 93 - 1 - HB2 ARG 82 - HB3 ARG 17 lone 1 71 - 1 - HB3 LEU 64 - HB2 PRO 34 lone 1 90 - 1 - HB3 LYS 85 - HB2 LYS 32 lone 1 44 - 2 - HB3 LYS 85 - HB3 LYS 32 lone 1 44 - 2 - HG3 ARG 66 - HB3 ARG 17 lone 1 71 - 1 - HB3 LYS 83 - HB3 LYS 32 lone 1 54 - 1 - HB3 LYS 83 - HB2 LYS 32 lone 1 54 - 1 - HD2 LYS 13 - HB3 ARG 82 lone 1 60 - 1 - HD3 LYS 13 - HB3 ARG 82 lone 1 60 - 1 - HB3 LYS 83 - HB2 PRO 34 lone 1 63 - 1 - HG LEU 29 - HB3 ARG 17 lone 0 52 - 1 - HG2 ARG 23 - HB2 PRO 34 lone 0 61 - 1 - HB2 LEU 29 - HB3 ARG 17 lone 0 48 - 1 - HG2 ARG 70 - HB2 PRO 34 lone 0 81 - 1 - HD3 LYS 13 - HB2 PRO 34 lone 0 49 - 1 - HD2 LYS 13 - HB2 PRO 34 lone 0 49 - 1 - HG LEU 29 - HB2 PRO 34 lone 0 70 - 0 - HB3 LYS 85 - HB2 PRO 34 lone 0 51 - 1 - HB2 LEU 29 - HB2 PRO 34 lone 0 65 - 0 - HG2 ARG 23 - HB2 LYS 32 lone 0 52 - 0 - HG2 ARG 23 - HB3 LYS 32 lone 0 52 - 0 - HB3 LYS 85 - HB3 ARG 17 lone 0 37 - 1 - HB3 LYS 83 - HB3 ARG 17 lone 0 47 - 0 - HB3 LYS 13 - HB3 ARG 17 lone 0 63 - 0 - HD3 LYS 13 - HB3 ARG 17 lone 0 36 - 0 - HD2 LYS 13 - HB3 ARG 17 lone 0 36 - 0 - Peak 3244 from cnoeabs.peaks (1.76, 1.76, 30.45 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ARG 82 + HB3 ARG 82 OK 100 100 - 100 HB2 PRO 34 + HB2 PRO 34 OK 81 81 - 100 HB3 LYS 32 + HB3 LYS 32 OK 77 77 - 100 HB2 LYS 32 + HB2 LYS 32 OK 77 77 - 100 HB3 ARG 17 + HB3 ARG 17 OK 48 48 - 100 Peak 3277 from cnoeabs.peaks (8.31, 4.24, 56.21 ppm; 3.86 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 83 + HA LYS 83 OK 100 100 - 100 - 2.9=100 H GLU 19 + HA GLU 19 OK 87 87 - 100 - 3.0=100 H LYS 83 - HA LYS 85 OK 22 73 - 30 - 831=6, 3297/3.0=6...(12) H LYS 83 - HA GLU 19 OK 12 92 - 12 - 831=3, 1218/3.0=2, 1212/3.0=2 H GLU 19 - HA LYS 83 OK 11 97 - 11 - 492=3, 3297/3.0=1 H GLU 19 - HA LYS 85 lone 3 68 - 4 - H ASP 24 - HA GLU 19 lone 3 62 - 4 - H ASP 24 - HA LYS 83 lone 2 73 - 3 - H ASP 24 - HA LYS 85 lone 1 46 - 1 - Peak 3278 from cnoeabs.peaks (4.24, 4.24, 56.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 83 + HA LYS 83 OK 100 100 - 100 HA GLU 19 + HA GLU 19 OK 82 82 - 100 HA LYS 85 + HA LYS 85 OK 63 63 - 100 Peak 3279 from cnoeabs.peaks (1.78, 4.24, 56.21 ppm; 3.42 A): 2 out of 48 assignments used, quality = 1.00: * HB2 LYS 83 + HA LYS 83 OK 100 100 - 100 - 3.0=100 HB2 LYS 85 + HA LYS 85 OK 52 52 - 100 - 3.0=100 HB2 LYS 85 - HA LYS 83 OK 24 81 - 31 - ~3297=3, 1.8/3444=3...(14) HB3 LYS 73 - HA LYS 85 OK 21 72 - 30 - 3299/3.0=2, 2.9/6145=1...(9) HB2 LYS 83 - HA LYS 85 OK 19 73 - 26 - 1.8/3444=3, 4.0/831=2...(12) HB3 LYS 75 - HA LYS 85 OK 19 71 - 27 - ~3066=2, 1.8/3077=2...(9) HB3 LYS 75 - HA LYS 83 OK 14 99 - 14 - 3287/2.9=1 HB3 LYS 73 - HA LYS 83 OK 14 100 - 14 - 3287/2.9=2 HB2 LYS 13 - HA LYS 85 OK 13 70 - 19 - 3299/3.0=1, 3.0/3464=1...(4) HB3 ARG 84 - HA LYS 85 OK 13 52 - 26 - ~377=5, ~378=4, ~851=3...(9) HB3 ARG 82 - HA LYS 83 OK 13 90 - 15 - 361/2.9=6, ~833=3 HB3 ARG 84 - HA LYS 83 OK 12 81 - 15 - 843/3.6=4, 4.6/849=2...(7) HB3 LYS 39 - HA LYS 83 OK 10 100 - 10 - 3287/2.9=1, 2.9/1873=1 HB3 LYS 39 - HA LYS 85 poor 9 73 - 11 - HB2 LYS 13 - HA LYS 83 lone 7 99 - 7 - HB2 LYS 83 - HA GLU 19 lone 6 92 - 7 - 4.0/831=1 HB2 ARG 69 - HA LYS 85 poor 6 52 - 11 - ~2802=1 HB3 LYS 32 - HA LYS 83 lone 4 99 - 4 - HB2 LYS 32 - HA LYS 83 lone 4 99 - 4 - HB2 ARG 69 - HA LYS 83 lone 4 81 - 5 - HB3 LYS 39 - HA GLU 19 lone 3 92 - 3 - HB3 ARG 82 - HA LYS 85 lone 3 60 - 5 - 4.4/831=2 HB3 LYS 32 - HA LYS 85 lone 3 70 - 4 - HB2 LYS 32 - HA LYS 85 lone 3 70 - 4 - HB2 ARG 69 - HA GLU 19 lone 2 69 - 3 - HB2 PRO 34 - HA LYS 83 lone 2 100 - 2 - HB3 LYS 75 - HA GLU 19 lone 2 90 - 2 - HB2 LYS 85 - HA GLU 19 lone 2 69 - 3 - HB2 ARG 54 - HA LYS 83 lone 2 90 - 2 - HG2 PRO 34 - HA LYS 83 lone 2 78 - 2 - HB ILE 33 - HA LYS 83 lone 2 95 - 2 - HB ILE 33 - HA LYS 85 lone 2 65 - 2 - HB2 LEU 57 - HA LYS 83 lone 1 92 - 2 - HB2 PRO 34 - HA LYS 85 lone 1 73 - 2 - HB2 LEU 57 - HA LYS 85 lone 1 62 - 2 - HB3 ARG 82 - HA GLU 19 lone 1 78 - 2 - HB3 LYS 73 - HA GLU 19 lone 1 91 - 1 - HB2 LYS 13 - HA GLU 19 lone 1 89 - 1 - HB3 ARG 84 - HA GLU 19 lone 1 69 - 1 - HB2 ARG 54 - HA LYS 85 lone 1 60 - 1 - HB2 PRO 34 - HA GLU 19 lone 1 92 - 1 - HB ILE 33 - HA GLU 19 lone 1 83 - 1 - HG2 PRO 34 - HA LYS 85 lone 1 50 - 1 - HB3 LYS 32 - HA GLU 19 lone 1 89 - 1 - HB2 LYS 32 - HA GLU 19 lone 1 89 - 1 - HB2 LEU 57 - HA GLU 19 lone 1 80 - 1 - HB2 ARG 54 - HA GLU 19 lone 1 78 - 1 - HG2 PRO 34 - HA GLU 19 lone 0 66 - 1 - Peak 3280 from cnoeabs.peaks (1.72, 4.24, 56.21 ppm; 3.57 A): 2 out of 33 assignments used, quality = 1.00: * HB3 LYS 83 + HA LYS 83 OK 100 100 - 100 - 3.0=100 HB3 LYS 85 + HA LYS 85 OK 72 72 - 100 - 3.0=100 HB3 LYS 85 - HA LYS 83 OK 35 100 - 36 - 3297/2.9=5, 3444=4...(16) HB3 LYS 83 - HA LYS 85 OK 23 73 - 32 - 3444=4, 3443/2.9=3...(12) HB2 ARG 84 - HA LYS 85 OK 22 69 - 32 - 378/2.9=6, ~377=6...(11) HB2 ARG 84 - HA LYS 83 OK 18 98 - 19 - 842/3.6=6, 833/2.9=2...(8) HB2 LEU 43 - HA LYS 85 OK 17 71 - 24 - 3.1/5357=3, 3.0/4390=3...(9) HB2 ARG 82 - HA LYS 83 OK 15 76 - 20 - 833/2.9=6, ~361=5...(4) HB2 LEU 43 - HA LYS 83 OK 10 99 - 10 - 3.1/5357=2, 3.9/4371=1 HB2 LEU 29 - HA LYS 83 lone 9 100 - 9 - 369/3.6=1, 1484/4.7=1...(4) HB2 LEU 29 - HA LYS 85 poor 8 73 - 11 - 387/3.6=3, 851/2.9=1 HB3 LYS 83 - HA GLU 19 lone 7 92 - 8 - 4.0/831=1 HB3 LEU 64 - HA LYS 83 lone 7 83 - 8 - HG2 ARG 70 - HA LYS 85 lone 6 69 - 8 - 5488/2.9=3 HB3 LEU 64 - HA GLU 19 lone 5 71 - 8 - 3.1/2648=1 HB3 LYS 85 - HA GLU 19 lone 3 91 - 4 - HG2 ARG 70 - HA LYS 83 lone 3 98 - 3 - HB2 ARG 82 - HA LYS 85 lone 3 48 - 6 - 4.4/831=2 HB3 ARG 17 - HA GLU 19 lone 2 57 - 4 - HB2 LEU 43 - HA GLU 19 lone 2 89 - 2 - HB3 ARG 17 - HA LYS 83 lone 2 68 - 3 - HB3 LEU 64 - HA LYS 85 lone 2 54 - 3 - HB2 LEU 62 - HA LYS 85 lone 2 37 - 4 - 387/3.6=2 HB3 ARG 17 - HA LYS 85 lone 2 43 - 4 - 387/3.6=1 HG3 ARG 66 - HA LYS 83 lone 1 78 - 2 - HB2 LEU 62 - HA LYS 83 lone 1 60 - 2 - HB2 ARG 84 - HA GLU 19 lone 1 88 - 1 - HG3 ARG 66 - HA GLU 19 lone 1 66 - 2 - HB2 ARG 82 - HA GLU 19 lone 1 64 - 2 - 4.4/831=1 HB2 LEU 29 - HA GLU 19 lone 1 92 - 1 - HG3 ARG 66 - HA LYS 85 lone 1 50 - 2 - HG2 ARG 70 - HA GLU 19 lone 1 88 - 1 - HB2 LEU 62 - HA GLU 19 lone 1 50 - 1 - Peak 3287 from cnoeabs.peaks (8.31, 1.78, 32.59 ppm; 4.78 A): 1 out of 18 assignments used, quality = 1.00: * H LYS 83 + HB2 LYS 83 OK 100 100 - 100 - 4.0=100 H LYS 83 - HB2 LYS 85 OK 34 81 - 42 - 3297/1.8=10, 831/3.0=5...(16) H LYS 83 - HB3 LYS 73 OK 28 96 - 29 - 832=3, 359/3.0=3...(10) H LYS 83 - HB3 LYS 75 OK 20 99 - 20 - 831/3.0=3, 832=3...(5) H LYS 83 - HB3 LYS 39 OK 18 94 - 18 - 832=2, 5896/3.5=2...(9) H GLU 19 - HB2 LYS 83 lone 10 97 - 10 - 492/3.0=2, 3297/1.8=2 H LYS 83 - HB2 LYS 13 lone 8 88 - 9 - 360/1.8=1, 832=1 H GLU 19 - HB2 LYS 85 lone 4 75 - 5 - 3297/1.8=1 H GLU 19 - HB3 LYS 39 lone 4 89 - 4 - H ASP 24 - HB3 LYS 75 lone 3 71 - 5 - H GLU 19 - HB3 LYS 75 lone 3 96 - 3 - H ASP 24 - HB3 LYS 39 lone 3 64 - 5 - H GLU 19 - HB3 LYS 73 lone 2 92 - 3 - H ASP 24 - HB2 LYS 83 lone 2 73 - 3 - H ASP 24 - HB2 LYS 13 lone 2 58 - 4 - H ASP 24 - HB3 LYS 73 lone 1 67 - 2 - H GLU 19 - HB2 LYS 13 lone 1 83 - 2 - H ASP 24 - HB2 LYS 85 lone 1 52 - 2 - Peak 3288 from cnoeabs.peaks (4.24, 1.78, 32.59 ppm; 3.20 A): 5 out of 66 assignments used, quality = 1.00: * HA LYS 83 + HB2 LYS 83 OK 100 100 - 100 - 3.0=100 HA LYS 75 + HB3 LYS 75 OK 99 99 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 39 OK 92 92 - 100 - 3.0=100 HA LYS 85 + HB2 LYS 85 OK 70 70 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 75 OK 47 98 - 49 - 1835=7, 1834/1.8=7...(18) HA LYS 75 - HB3 LYS 39 OK 42 94 - 45 - 3068/1.8=7, 3069=6...(21) HA LYS 75 - HB3 LYS 73 OK 35 96 - 36 - 3069=5, 3068/1.8=4...(10) HA LYS 75 - HB2 LYS 13 OK 26 88 - 30 - 3069=4, 3073/1.8=3...(10) HA LYS 85 - HB3 LYS 73 OK 24 87 - 28 - 3279=2, 3425/1.8=2...(6) HA LYS 75 - HB2 LYS 85 OK 24 80 - 30 - 3069=4, 3066/4.0=3...(10) HA LEU 64 - HB3 LYS 39 OK 23 79 - 29 - 2616/2.9=4, 1873/2.9=3...(17) HA LYS 83 - HB2 LYS 85 OK 23 81 - 29 - 3280/1.8=3, ~3297=3...(12) HA LYS 85 - HB2 LYS 83 OK 22 93 - 24 - 3444/1.8=2, 831/4.0=2...(9) HA LYS 85 - HB3 LYS 75 OK 22 92 - 24 - 3425=2, 3423/4.0=2...(7) HA LYS 39 - HB2 LYS 13 OK 17 85 - 20 - 1835=3, 1837/3.0=2, 8/3.9=1 HA LYS 39 - HB3 LYS 73 OK 17 94 - 18 - 1835=3, 1837/2.9=2, 3.0/594=1 HA LYS 85 - HB2 LYS 13 OK 14 78 - 18 - 3425=1, 3428/3.0=1...(5) HA LYS 75 - HB2 LYS 83 OK 13 100 - 13 - 3069=2, 3298/1.8=1 HA LYS 83 - HB3 LYS 73 OK 13 96 - 13 - 2.9/3287=2, 3279=1 HA ALA 12 - HB2 LYS 13 OK 12 76 - 16 - 3704/3.9=15 HA LYS 83 - HB3 LYS 75 OK 12 99 - 12 - 3279=1, 2.9/3287=1 HA ALA 77 - HB3 LYS 75 lone 9 96 - 10 - 339/4.6=3, ~817=1 HA LYS 85 - HB3 LYS 39 lone 8 84 - 10 - HA LYS 83 - HB3 LYS 39 lone 8 94 - 9 - 3279=1 HA LYS 39 - HB2 LYS 85 lone 8 78 - 10 - 1835=1 HA LYS 39 - HB2 LYS 83 lone 7 99 - 7 - 1835=1 HB THR 37 - HB3 LYS 39 lone 6 73 - 9 - 128/4.4=2, 592/4.0=1...(4) HA GLU 19 - HB2 LYS 83 lone 6 93 - 6 - HA LYS 83 - HB2 LYS 13 lone 6 88 - 6 - HA THR 15 - HB2 LYS 83 lone 6 100 - 6 - 1128/4.3=1 HA ALA 77 - HB3 LYS 73 lone 6 92 - 6 - 3988/4.3=2 HA LEU 64 - HB3 LYS 75 lone 5 87 - 6 - HA ALA 77 - HB2 LYS 83 lone 4 97 - 4 - HA LEU 64 - HB2 LYS 83 lone 4 89 - 4 - HA ALA 77 - HB2 LYS 85 lone 3 75 - 5 - HA LEU 64 - HB2 LYS 13 lone 3 73 - 5 - HA ALA 12 - HB3 LYS 75 lone 3 90 - 3 - 3.6/468=1 HA ALA 20 - HB3 LYS 75 lone 3 85 - 3 - HA LEU 64 - HB3 LYS 73 lone 3 82 - 3 - HA ALA 12 - HB2 LYS 85 lone 3 69 - 4 - 3.6/468=2 HA THR 15 - HB2 LYS 85 lone 2 80 - 3 - HA ALA 12 - HB3 LYS 39 lone 2 83 - 3 - 3.6/468=1 HA GLU 19 - HB3 LYS 39 lone 2 84 - 3 - HA ALA 20 - HB3 LYS 39 lone 2 77 - 3 - HA ALA 77 - HB3 LYS 39 lone 2 89 - 3 - HA THR 15 - HB3 LYS 73 lone 2 96 - 2 - HB THR 37 - HB3 LYS 75 lone 2 81 - 3 - HA THR 15 - HB3 LYS 39 lone 2 94 - 2 - HA ALA 20 - HB2 LYS 83 lone 2 87 - 2 - HA THR 15 - HB3 LYS 75 lone 2 99 - 2 - HA GLU 19 - HB3 LYS 75 lone 2 92 - 2 - HA ALA 12 - HB2 LYS 83 lone 2 92 - 2 - HA GLU 19 - HB2 LYS 85 lone 2 70 - 3 - HA ALA 12 - HB3 LYS 73 lone 1 85 - 2 - HB THR 37 - HB2 LYS 83 lone 1 83 - 2 - HB THR 37 - HB3 LYS 73 lone 1 76 - 2 - HA LEU 64 - HB2 LYS 85 lone 1 65 - 2 - HA GLU 19 - HB3 LYS 73 lone 1 87 - 1 - HA ALA 20 - HB3 LYS 73 lone 1 80 - 1 - HB THR 37 - HB2 LYS 85 lone 1 60 - 2 - HA ALA 77 - HB2 LYS 13 lone 1 83 - 1 - HB THR 37 - HB2 LYS 13 lone 1 67 - 1 - HA ALA 20 - HB2 LYS 85 lone 1 64 - 1 - HA THR 15 - HB2 LYS 13 lone 1 87 - 1 - HA GLU 19 - HB2 LYS 13 lone 1 78 - 1 - HA ALA 20 - HB2 LYS 13 lone 1 71 - 1 - Peak 3289 from cnoeabs.peaks (1.78, 1.78, 32.59 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 83 + HB2 LYS 83 OK 100 100 - 100 HB3 LYS 75 + HB3 LYS 75 OK 98 98 - 100 HB3 LYS 73 + HB3 LYS 73 OK 96 96 - 100 HB3 LYS 39 + HB3 LYS 39 OK 94 94 - 100 HB2 LYS 13 + HB2 LYS 13 OK 85 85 - 100 HB2 LYS 85 + HB2 LYS 85 OK 58 58 - 100 Peak 3290 from cnoeabs.peaks (1.72, 1.78, 32.59 ppm; 2.40 A): 2 out of 66 assignments used, quality = 1.00: * HB3 LYS 83 + HB2 LYS 83 OK 100 100 - 100 - 1.8=100 HB3 LYS 85 + HB2 LYS 85 OK 79 79 - 100 - 1.8=100 HB2 LEU 43 - HB2 LYS 13 OK 23 85 - 28 - 2010/3.0=3, ~2017=2...(12) HB3 LYS 85 - HB3 LYS 73 OK 16 95 - 17 - 3299=2, 6062/3.0=1, 3445/1.8=1 HB3 LYS 85 - HB3 LYS 75 OK 16 99 - 16 - 3299=2, 3444/3.0=1 HB3 LYS 85 - HB2 LYS 83 OK 15 100 - 15 - 3299=2, 3297/4.0=1, 3444/3.0=1 HB3 LEU 64 - HB3 LYS 39 OK 15 73 - 20 - 2630/2.9=2, 2627/3.0=2...(6) HB3 LYS 83 - HB2 LYS 85 OK 12 81 - 15 - 3445=2, 3443/4.0=1...(4) HB3 LYS 85 - HB2 LYS 13 OK 12 87 - 13 - 3299=2 HB2 ARG 84 - HB3 LYS 73 OK 12 93 - 13 - 3378=2, 3378/1.8=2 HB2 ARG 84 - HB2 LYS 85 OK 11 76 - 15 - 3378=3, 378/4.0=2, ~3385=1 HB2 ARG 84 - HB2 LYS 83 lone 10 98 - 10 - 842/4.3=2, 3378=2 HB2 LEU 43 - HB2 LYS 85 poor 8 78 - 10 - ~2018=1 HB3 LYS 83 - HB3 LYS 75 lone 7 99 - 7 - 3299=1 HB2 LEU 29 - HB3 LYS 73 lone 7 96 - 7 - 1484/3.0=1 HB3 LYS 83 - HB3 LYS 73 lone 7 96 - 7 - 3299=1 HB2 ARG 82 - HB2 LYS 83 lone 5 76 - 7 - 4.4/832=2, 3237=1 HB3 LYS 85 - HB3 LYS 39 lone 5 93 - 5 - HB2 LEU 29 - HB2 LYS 13 lone 5 88 - 5 - 1487/1.8=1 HB2 LEU 43 - HB3 LYS 39 lone 4 92 - 4 - HB2 ARG 82 - HB3 LYS 73 lone 4 69 - 6 - 3237=1 HB3 LYS 83 - HB3 LYS 39 lone 4 94 - 4 - HB2 LEU 29 - HB3 LYS 75 lone 4 99 - 4 - HB2 LEU 29 - HB2 LYS 85 lone 4 80 - 5 - HB2 ARG 84 - HB3 LYS 39 lone 4 90 - 4 - HG2 ARG 70 - HB3 LYS 75 lone 4 97 - 4 - HB2 LEU 43 - HB2 LYS 83 lone 3 99 - 3 - HB2 ARG 84 - HB3 LYS 75 lone 3 97 - 3 - HG2 ARG 70 - HB3 LYS 73 lone 3 93 - 4 - HB2 LEU 29 - HB3 LYS 39 lone 3 94 - 3 - HB2 LEU 29 - HB2 LYS 83 lone 3 100 - 3 - HB3 LEU 64 - HB3 LYS 75 lone 3 81 - 4 - HB3 LYS 83 - HB2 LYS 13 lone 3 88 - 3 - HB2 ARG 82 - HB3 LYS 39 lone 3 67 - 4 - HG2 ARG 70 - HB2 LYS 85 lone 3 76 - 3 - HB2 LEU 62 - HB3 LYS 39 lone 2 52 - 5 - HB3 LEU 64 - HB2 LYS 83 lone 2 83 - 2 - HB2 LEU 62 - HB3 LYS 73 lone 2 54 - 3 - HB3 LEU 64 - HB2 LYS 13 lone 2 67 - 3 - HB2 LEU 43 - HB3 LYS 75 lone 2 98 - 2 - HB2 ARG 84 - HB2 LYS 13 lone 2 84 - 2 - HB2 ARG 82 - HB3 LYS 75 lone 1 74 - 2 - HB3 ARG 17 - HB3 LYS 73 lone 1 62 - 2 - HG2 ARG 70 - HB2 LYS 83 lone 1 98 - 1 - HB2 LEU 43 - HB3 LYS 73 lone 1 94 - 1 - HB2 ARG 82 - HB2 LYS 85 lone 1 54 - 2 - HB3 ARG 17 - HB3 LYS 39 lone 1 60 - 2 - HB2 ARG 82 - HB2 LYS 13 lone 1 60 - 2 - HB3 LEU 64 - HB3 LYS 73 lone 1 76 - 1 - HG2 ARG 70 - HB3 LYS 39 lone 1 90 - 1 - HG2 ARG 70 - HB2 LYS 13 lone 1 84 - 1 - HB3 ARG 17 - HB2 LYS 85 lone 1 48 - 2 - HB3 LEU 64 - HB2 LYS 85 lone 1 60 - 1 - HB3 ARG 17 - HB2 LYS 83 lone 1 68 - 1 - HB3 ARG 17 - HB3 LYS 75 lone 1 66 - 1 - HB2 LEU 62 - HB2 LYS 85 lone 1 42 - 1 - HG3 ARG 66 - HB3 LYS 39 lone 1 69 - 1 - HB2 LEU 62 - HB3 LYS 75 lone 1 58 - 1 - HG3 ARG 66 - HB2 LYS 13 lone 1 63 - 1 - HG3 ARG 66 - HB2 LYS 83 lone 0 78 - 1 - HG3 ARG 66 - HB3 LYS 75 lone 0 76 - 1 - HG3 ARG 66 - HB3 LYS 73 lone 0 72 - 1 - HB2 LEU 62 - HB2 LYS 83 lone 0 60 - 1 - HG3 ARG 66 - HB2 LYS 85 lone 0 56 - 1 - HB2 LEU 62 - HB2 LYS 13 lone 0 47 - 1 - HB3 ARG 17 - HB2 LYS 13 lone 0 54 - 0 - Peak 3297 from cnoeabs.peaks (8.31, 1.72, 32.59 ppm; 4.79 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 83 + HB3 LYS 83 OK 100 100 - 100 - 4.0=100 H LYS 83 - HB3 LYS 85 OK 43 100 - 43 - 833=7, 3287/1.8=5...(18) H GLU 19 - HB3 LYS 83 lone 8 97 - 9 - 492/3.0=2, 3287/1.8=2 H GLU 19 - HB3 LYS 85 lone 5 96 - 5 - H ASP 24 - HB3 LYS 83 lone 2 73 - 3 - H ASP 24 - HB3 LYS 85 lone 1 72 - 2 - Peak 3298 from cnoeabs.peaks (4.24, 1.72, 32.59 ppm; 3.97 A): 2 out of 22 assignments used, quality = 1.00: * HA LYS 83 + HB3 LYS 83 OK 100 100 - 100 - 3.0=100 HA LYS 85 + HB3 LYS 85 OK 92 92 - 100 - 3.0=100 HA LYS 83 - HB3 LYS 85 OK 44 100 - 44 - 2.9/3297=6, 3280=5...(19) HA LYS 75 - HB3 LYS 85 OK 42 100 - 43 - 3066/4.0=4, 3.0/3443=4...(15) HA LYS 85 - HB3 LYS 83 OK 36 93 - 39 - 2.9/3443=4, 3426=4...(15) HA LYS 75 - HB3 LYS 83 OK 20 100 - 20 - 3.0/3443=2, 3069/1.8=2...(4) HA LYS 39 - HB3 LYS 85 OK 14 98 - 14 - 385/4.6=1, 1835/1.8=1 HA GLU 19 - HB3 LYS 83 poor 10 93 - 10 - 831/4.0=1, 3.0/3297=1 HA LYS 39 - HB3 LYS 83 lone 10 99 - 10 - 831/4.0=1, 1835/1.8=1 HA THR 15 - HB3 LYS 83 lone 10 100 - 10 - 1128/4.3=2, 3.0/6062=1 HA ALA 77 - HB3 LYS 85 lone 8 96 - 8 - 3.0/5993=2 HA LEU 64 - HB3 LYS 83 lone 7 89 - 8 - HA ALA 77 - HB3 LYS 83 lone 6 97 - 6 - 3.0/5993=1 HA THR 15 - HB3 LYS 85 lone 6 99 - 6 - HA ALA 12 - HB3 LYS 85 lone 5 91 - 6 - 3.6/5995=3 HA GLU 19 - HB3 LYS 85 lone 4 92 - 5 - HA LEU 64 - HB3 LYS 85 lone 4 87 - 5 - HA ALA 20 - HB3 LYS 83 lone 4 87 - 4 - HA ALA 12 - HB3 LYS 83 lone 3 92 - 3 - HA ALA 20 - HB3 LYS 85 lone 2 85 - 2 - HB THR 37 - HB3 LYS 83 lone 2 83 - 2 - HB THR 37 - HB3 LYS 85 lone 2 81 - 2 - Peak 3299 from cnoeabs.peaks (1.78, 1.72, 32.59 ppm; 2.40 A): 2 out of 32 assignments used, quality = 1.00: * HB2 LYS 83 + HB3 LYS 83 OK 100 100 - 100 - 1.8=100 HB2 LYS 85 + HB3 LYS 85 OK 79 79 - 100 - 1.8=100 HB3 LYS 73 - HB3 LYS 85 OK 16 99 - 16 - 3290=2, 3.0/6062=1 HB3 LYS 75 - HB3 LYS 85 OK 15 99 - 15 - 3290=2, 3.0/3444=1 HB2 LYS 83 - HB3 LYS 85 OK 14 100 - 14 - 3290=2, 4.0/3297=1, 3.0/3444=1 HB2 LYS 13 - HB3 LYS 85 OK 13 98 - 13 - 3290=1 HB3 ARG 84 - HB3 LYS 85 OK 12 79 - 15 - 3385=3, 4.6/378=2...(4) HB2 LYS 85 - HB3 LYS 83 OK 11 81 - 14 - 3436=1, 4.0/3443=1...(4) HB3 ARG 84 - HB3 LYS 83 poor 8 81 - 10 - 3385=2, 4.0/369=2, 3.0/6062=1 HB3 LYS 75 - HB3 LYS 83 lone 7 99 - 7 - HB3 ARG 82 - HB3 LYS 83 lone 7 90 - 8 - 4.4/833=3 HB3 LYS 73 - HB3 LYS 83 lone 7 100 - 7 - HB2 ARG 69 - HB3 LYS 85 lone 6 79 - 7 - HB3 LYS 39 - HB3 LYS 85 lone 5 100 - 5 - HB3 LYS 39 - HB3 LYS 83 lone 4 100 - 4 - HB2 LYS 13 - HB3 LYS 83 lone 3 99 - 3 - HB3 ARG 82 - HB3 LYS 85 lone 3 89 - 4 - 4.4/3297=1 HB2 LYS 32 - HB3 LYS 85 lone 2 98 - 2 - HB3 LYS 32 - HB3 LYS 85 lone 2 98 - 2 - HB2 ARG 69 - HB3 LYS 83 lone 2 81 - 2 - HB3 LYS 32 - HB3 LYS 83 lone 1 99 - 1 - HB2 LYS 32 - HB3 LYS 83 lone 1 99 - 1 - HB ILE 33 - HB3 LYS 85 lone 1 93 - 1 - HB2 LEU 57 - HB3 LYS 85 lone 1 91 - 1 - HB2 PRO 34 - HB3 LYS 83 lone 1 100 - 1 - HB2 PRO 34 - HB3 LYS 85 lone 1 100 - 1 - HB2 ARG 54 - HB3 LYS 83 lone 1 90 - 1 - HB ILE 33 - HB3 LYS 83 lone 1 95 - 1 - HB2 LEU 57 - HB3 LYS 83 lone 1 92 - 1 - HG2 PRO 34 - HB3 LYS 83 lone 1 78 - 1 - HB2 ARG 54 - HB3 LYS 85 lone 1 89 - 1 - HG2 PRO 34 - HB3 LYS 85 lone 0 77 - 1 - Peak 3300 from cnoeabs.peaks (1.72, 1.72, 32.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 83 + HB3 LYS 83 OK 100 100 - 100 HB3 LYS 85 + HB3 LYS 85 OK 99 99 - 100 Peak 3367 from cnoeabs.peaks (8.20, 4.18, 56.53 ppm; 3.83 A): 1 out of 36 assignments used, quality = 1.00: * H ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.0=100 H ALA 28 - HA LEU 29 OK 24 55 - 43 - 76/3.0=14, ~78=8...(10) H ARG 84 - HA LYS 73 OK 22 96 - 23 - 841=4, 4.6/377=2...(9) H ILE 89 - HA LYS 73 OK 19 61 - 31 - 876=5, 4.0/3605=5...(11) H ALA 77 - HA LYS 73 OK 18 58 - 31 - 4.4/16037=17, 4.5/5431=5...(5) H ARG 84 - HA LEU 29 OK 18 64 - 27 - 76/3.0=5, 841=3...(9) H ILE 89 - HA ARG 84 OK 15 68 - 22 - 876=3, 4.0/3605=3...(12) H GLU 25 - HA LEU 29 OK 14 64 - 21 - 5511/4.9=6, 76/3.0=4...(5) H ARG 84 - HA ARG 82 OK 11 80 - 14 - 841=2, 4.3/6062=2, ~5473=1 H THR 15 - HA ARG 84 OK 11 100 - 11 - 478=2, 3.0/1130=2...(5) H ALA 28 - HA ARG 84 lone 9 93 - 10 - 841=1, 4.6/545=1 H ILE 89 - HA LEU 29 poor 9 37 - 24 - 876=4, 4.0/3612=4...(11) H ARG 27 - HA LEU 29 poor 9 45 - 19 - 5520/4.9=6, 5519/4.5=4...(6) H ALA 28 - HA LYS 73 lone 8 86 - 10 - 4.6/545=1, 841=1 H GLN 79 - HA ARG 82 poor 8 65 - 13 - ~6050=2, 823=2, ~5473=1, ~3992=1 H GLN 79 - HA LYS 73 lone 6 81 - 8 - 823=1 H THR 15 - HA LEU 29 lone 6 63 - 10 - 478=2, 76/3.0=2...(5) H ARG 27 - HA ARG 84 lone 6 81 - 7 - H GLU 25 - HA ARG 84 lone 5 100 - 5 - H GLN 79 - HA ARG 84 lone 5 89 - 6 - H SER 22 - HA ARG 84 lone 4 96 - 4 - H ARG 27 - HA LYS 73 lone 4 73 - 5 - H THR 15 - HA LYS 73 lone 4 95 - 4 - 478=1 H ALA 77 - HA ARG 84 lone 4 65 - 6 - 4.5/5431=1 H GLU 25 - HA LYS 73 lone 4 95 - 4 - H ALA 77 - HA LEU 29 poor 4 35 - 11 - 76/3.0=3, 4.5/5431=2, 5538/3.6=2 H THR 15 - HA ARG 82 lone 3 79 - 3 - H ILE 89 - HA ARG 82 lone 3 47 - 5 - H SER 22 - HA ARG 82 lone 2 72 - 3 - ~5474=2, ~5467=1 H ALA 28 - HA ARG 82 lone 2 70 - 3 - H SER 22 - HA LEU 29 lone 2 57 - 3 - 76/3.0=1 H GLU 25 - HA ARG 82 lone 2 80 - 2 - H SER 22 - HA LYS 73 lone 1 89 - 2 - H GLN 79 - HA LEU 29 lone 1 51 - 2 - H ALA 77 - HA ARG 82 lone 1 45 - 3 - H ARG 27 - HA ARG 82 lone 1 58 - 2 - Peak 3368 from cnoeabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HA ARG 84 OK 100 100 - 100 HA LYS 73 + HA LYS 73 OK 94 94 - 100 HA ARG 82 + HA ARG 82 OK 77 77 - 100 HA LEU 29 - HA LEU 29 OK 40 40 - 100 Peak 3369 from cnoeabs.peaks (1.73, 4.18, 56.53 ppm; 3.30 A): 2 out of 44 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.0=100 HB2 LEU 29 + HA LEU 29 OK 59 59 - 100 - 3.0=100 HB3 LYS 85 - HA ARG 84 OK 30 100 - 31 - 4.0/377=9, 6062=5...(10) HB3 LYS 85 - HA LYS 73 OK 27 95 - 29 - 6062=5, 1.8/2969=2...(11) HB3 LYS 83 - HA ARG 84 OK 21 98 - 22 - 842/3.0=5, 6062=4...(8) HB2 LEU 29 - HA ARG 84 OK 20 97 - 21 - 1484=2, 3385/3.0=2...(6) HB2 LEU 29 - HA LYS 73 OK 19 91 - 21 - 1484=3, 3764/3.0=3...(7) HB2 ARG 84 - HA LYS 73 OK 19 96 - 20 - 1.8/3384=2, 3378/3.0=2...(6) HB2 LEU 62 - HA LEU 29 OK 18 46 - 40 - 2577/4.0=4, 3907/3.6=3...(16) HB2 LEU 43 - HA LEU 29 OK 17 64 - 26 - 1499/3.7=3, 546/3.0=2...(12) HB2 ARG 84 - HA LEU 29 OK 14 64 - 21 - 546/3.0=3, 1499/3.7=2...(7) HB3 LYS 83 - HA ARG 82 OK 11 76 - 15 - 833/3.6=7, 6062=3, 1.8/2979=1 HB3 LYS 83 - HA LYS 73 poor 10 92 - 11 - 6062=2, 4.3/841=1, 4.0/359=1 HB3 LEU 64 - HA LEU 29 poor 9 32 - 30 - 546/3.0=4, 1499/3.7=3...(15) HB2 LEU 29 - HA ARG 82 poor 9 75 - 12 - 1484=2, 1487/3.0=1 HB2 LEU 62 - HA LYS 73 poor 8 75 - 11 - 3907/3.0=1 HB3 ARG 17 - HA ARG 84 lone 8 89 - 9 - HG3 ARG 71 - HA ARG 84 poor 8 71 - 11 - HG2 ARG 70 - HA ARG 84 lone 7 87 - 8 - 5488/3.6=2 HB2 ARG 84 - HA ARG 82 lone 7 80 - 9 - 833/3.6=1 HB3 LYS 85 - HA ARG 82 lone 6 79 - 8 - 3297/3.6=3, 6062=1 HB3 LYS 85 - HA LEU 29 poor 6 64 - 10 - 6062=2, 546/3.0=1 HG3 ARG 71 - HA LYS 73 lone 6 63 - 10 - 5.0/2958=1 HB2 LEU 43 - HA ARG 84 lone 5 100 - 5 - HG2 ARG 70 - HA LEU 29 poor 5 50 - 11 - 546/3.0=2, 1499/3.7=1, 81/3.6=1 HG2 ARG 70 - HA LYS 73 lone 5 79 - 7 - HB3 LYS 83 - HA LEU 29 lone 5 60 - 8 - 6062=1, 546/3.0=1, 4.3/841=1 HB2 LEU 62 - HA ARG 84 lone 5 83 - 6 - HG3 ARG 26 - HA ARG 84 lone 5 78 - 6 - HB3 LEU 64 - HA ARG 82 poor 5 41 - 12 - 3.0/5481=1, ~5480=1...(4) HB2 LEU 43 - HA LYS 73 lone 4 95 - 4 - HB3 ARG 17 - HA LYS 73 lone 3 81 - 4 - HB3 LEU 64 - HA ARG 84 lone 3 60 - 5 - HG3 ARG 26 - HA LYS 73 lone 2 71 - 3 - HG3 ARG 71 - HA LEU 29 lone 2 38 - 5 - HG3 ARG 26 - HA LEU 29 lone 2 43 - 4 - HB2 LEU 43 - HA ARG 82 lone 2 80 - 2 - HB3 LEU 64 - HA LYS 73 lone 1 53 - 3 - HG3 ARG 71 - HA ARG 82 lone 1 50 - 3 - HG2 ARG 70 - HA ARG 82 lone 1 63 - 2 - HB3 ARG 17 - HA LEU 29 lone 1 51 - 2 - HB3 ARG 17 - HA ARG 82 lone 1 65 - 2 - HB2 LEU 62 - HA ARG 82 lone 1 60 - 2 - HG3 ARG 26 - HA ARG 82 lone 1 56 - 1 - Peak 3370 from cnoeabs.peaks (1.80, 4.18, 56.53 ppm; 2.98 A): 3 out of 52 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 98 100 - 98 - 3.0=98, 4.6/377=6...(15) HB2 LYS 73 + HA LYS 73 OK 73 75 - 98 - 3.0=97, 787/3.0=8...(11) HB3 LYS 73 + HA LYS 73 OK 62 63 - 98 - 3.0=97, 788/3.0=5...(12) HB2 LYS 85 - HA ARG 84 OK 25 100 - 26 - 4.0/377=7, 1.8/6062=3...(8) HB ILE 89 - HA LYS 73 OK 24 73 - 33 - 2.1/3612=4, 3605=4...(15) HB2 ARG 69 - HA LYS 73 OK 22 96 - 23 - 787/3.0=3, 1.8/2963=2...(6) HB2 LYS 85 - HA LYS 73 OK 21 96 - 22 - 1.8/6062=3, 6061=2...(6) HB3 LYS 75 - HA LYS 73 OK 20 84 - 24 - 4.6/5431=3, 6061=2...(8) HB ILE 89 - HA ARG 84 OK 15 81 - 19 - 2.1/3612=2, 3605=2...(7) HB2 LYS 73 - HA ARG 84 OK 15 83 - 18 - 2969=2, 3378/3.0=2...(5) HB3 ARG 84 - HA LYS 73 OK 14 96 - 15 - 3384=2, 4.6/377=1...(5) HB2 LYS 83 - HA ARG 84 OK 13 81 - 16 - 843/3.0=3, 1.8/6062=2...(6) HB3 LYS 73 - HA ARG 84 OK 12 71 - 17 - 1.8/2969=2, 2.9/2962=1...(5) HB3 LYS 32 - HA LYS 73 poor 10 53 - 18 - 1.8/3242=2, ~5987=1...(4) HB2 LYS 32 - HA LYS 73 poor 10 53 - 18 - 1.8/3242=2, ~5987=1...(4) HB ILE 89 - HA LEU 29 poor 10 45 - 21 - 2.1/3612=3, 3605=2...(11) HB2 LYS 13 - HA LYS 73 poor 9 87 - 10 - HB3 ARG 84 - HA LEU 29 poor 9 64 - 14 - 3385/3.0=1, 3384=1, ~546=1 HB3 LYS 75 - HA ARG 84 lone 7 92 - 7 - HB3 LYS 39 - HA LYS 73 lone 7 75 - 9 - HB2 LYS 83 - HA LYS 73 lone 6 73 - 8 - 1.8/6062=1 HB2 LYS 83 - HA ARG 82 lone 5 58 - 9 - 832/3.6=4, 1.8/6062=2 HB2 LYS 73 - HA ARG 82 lone 5 60 - 9 - 2969=1 HB3 ARG 84 - HA ARG 82 lone 5 80 - 6 - HB2 LYS 73 - HA LEU 29 poor 5 46 - 11 - 4.0/786=1 HB3 LYS 32 - HA LEU 29 poor 5 32 - 15 - 4.3/5188=3, 4.0/4205=2...(6) HB2 LYS 32 - HA LEU 29 poor 5 32 - 15 - 4.3/5188=3, 4.0/4205=2...(6) HB2 ARG 69 - HA ARG 84 lone 5 100 - 5 - HB2 ARG 69 - HA LEU 29 lone 4 64 - 7 - 3941/3.0=1 HB3 LYS 73 - HA ARG 82 lone 4 50 - 9 - 1.8/2969=1 HB3 LYS 39 - HA ARG 84 lone 4 83 - 5 - HB3 LYS 73 - HA LEU 29 poor 4 38 - 10 - 4.0/786=1 HB2 LYS 85 - HA ARG 82 lone 4 80 - 5 - 3287/3.6=1 HB2 LYS 85 - HA LEU 29 lone 4 64 - 6 - 1.8/6062=1 HB3 LYS 32 - HA ARG 84 lone 4 60 - 6 - HB2 LYS 32 - HA ARG 84 lone 4 60 - 6 - HB2 PRO 34 - HA ARG 82 lone 3 54 - 6 - HB3 LYS 75 - HA LEU 29 lone 3 54 - 5 - 4.6/5431=1 HB3 LYS 39 - HA ARG 82 lone 3 60 - 5 - HB2 LYS 13 - HA ARG 84 lone 3 95 - 3 - HB2 LYS 13 - HA LEU 29 lone 3 56 - 5 - HB ILE 89 - HA ARG 82 lone 2 58 - 4 - HB2 LYS 83 - HA LEU 29 lone 2 45 - 5 - HB3 LYS 75 - HA ARG 82 lone 2 68 - 3 - HB3 LYS 32 - HA ARG 82 lone 2 41 - 5 - HB2 LYS 32 - HA ARG 82 lone 2 41 - 5 - HB2 PRO 34 - HA ARG 84 lone 2 76 - 2 - HB2 LYS 13 - HA ARG 82 lone 2 71 - 2 - HB3 LYS 39 - HA LEU 29 lone 2 46 - 3 - HB2 PRO 34 - HA LYS 73 lone 1 68 - 2 - HB2 ARG 69 - HA ARG 82 lone 1 80 - 1 - HB2 PRO 34 - HA LEU 29 lone 0 42 - 1 - Peak 3371 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.44 A): 5 out of 80 assignments used, quality = 1.00: * HG2 ARG 84 + HA ARG 84 OK 86 100 - 86 - 3.9=69, 3379/3.0=7...(27) HG3 ARG 84 + HA ARG 84 OK 86 100 - 86 - 3.9=69, 3379/3.0=7...(27) HB3 LEU 29 + HA LEU 29 OK 56 56 - 100 - 3.0=100 HD3 LYS 73 + HA LYS 73 OK 51 81 - 63 - 5.2=29, 3.5/2960=6...(17) HD2 LYS 73 + HA LYS 73 OK 51 81 - 63 - 5.2=29, 3.5/2960=6...(17) HG LEU 86 - HA LEU 29 OK 30 63 - 48 - 1486/3.0=4, 2.1/1512=4...(28) HB3 LEU 62 - HA LEU 29 OK 28 63 - 45 - 1491=4, 1492/3.0=4...(24) HD2 LYS 32 - HA LYS 73 OK 22 81 - 27 - 3019=2, 1.8/3019=2...(9) HD3 LYS 32 - HA LYS 73 OK 21 77 - 27 - 3019=2, 1.8/3009=2...(9) HB2 LEU 86 - HA LEU 29 OK 19 45 - 43 - 3523/3.0=3, 3.1/1512=3...(20) HB3 LEU 29 - HA ARG 84 OK 18 95 - 19 - 1.8/1484=2, 1491=1...(6) HB3 LEU 29 - HA LYS 73 OK 18 87 - 21 - 1.8/1484=3, 1491=2...(8) HD3 LYS 73 - HA ARG 84 OK 16 89 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HD2 LYS 73 - HA ARG 84 OK 16 89 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HG3 ARG 84 - HA LYS 73 OK 16 96 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 84 - HA LYS 73 OK 16 96 - 17 - 3.0/3384=2, 3.0/3376=2 HG LEU 62 - HA LEU 29 OK 15 35 - 42 - 1486/3.0=3, 547/3.0=3...(26) HD3 LYS 39 - HA LYS 73 OK 13 90 - 14 - HD2 LYS 39 - HA LYS 73 OK 13 91 - 14 - HG3 ARG 84 - HA LEU 29 OK 13 64 - 20 - 547/3.0=2, 1486/3.0=1...(5) HG2 ARG 84 - HA LEU 29 OK 13 64 - 20 - 547/3.0=2, 1486/3.0=1...(5) HG3 ARG 54 - HA ARG 82 OK 12 65 - 18 - ~5478=2, ~5475=2...(7) HB3 LEU 51 - HA LEU 29 OK 11 63 - 17 - 2227/4.0=2, ~78=2...(5) HB3 LEU 62 - HA LYS 73 OK 11 95 - 11 - HG2 ARG 17 - HA ARG 84 poor 9 71 - 13 - HB3 LEU 29 - HA ARG 82 poor 9 71 - 13 - 1.8/1484=2, 5896/3.6=1, 1491=1 HG3 ARG 17 - HA ARG 84 poor 9 68 - 13 - HD2 LYS 32 - HA ARG 84 lone 8 89 - 9 - HD3 LYS 32 - HA ARG 84 lone 8 85 - 9 - HD2 LYS 32 - HA LEU 29 poor 7 51 - 14 - ~1594=2, ~78=1, ~1584=1...(6) HG LEU 86 - HA LYS 73 lone 7 95 - 8 - HD3 LYS 32 - HA LEU 29 poor 7 48 - 14 - ~1594=2, ~78=1, ~1584=1...(6) HG LEU 62 - HA LYS 73 poor 6 58 - 10 - ~5263=1, 2.1/5402=1, ~3910=1 HG3 ARG 84 - HA ARG 82 lone 6 80 - 8 - 5896/3.6=2 HG2 ARG 84 - HA ARG 82 lone 6 80 - 8 - 5896/3.6=2 HB3 LEU 51 - HA LYS 73 lone 6 94 - 6 - ~5205=1 HG2 ARG 71 - HA ARG 84 lone 6 68 - 9 - HB3 LEU 62 - HA ARG 84 lone 6 100 - 6 - HD2 LYS 73 - HA ARG 82 lone 6 65 - 9 - 5896/3.6=1 HD3 LYS 73 - HA ARG 82 lone 6 65 - 9 - 5896/3.6=1 HD3 LYS 39 - HA ARG 82 lone 5 74 - 7 - HG LEU 86 - HA ARG 84 lone 5 100 - 5 - HD2 LYS 39 - HA ARG 82 lone 5 75 - 7 - HG2 ARG 71 - HA LYS 73 lone 5 61 - 8 - 5.0/2958=1, 5.0/4008=1 HB2 LEU 86 - HA LYS 73 lone 5 73 - 7 - HD3 LYS 39 - HA ARG 84 lone 5 97 - 5 - HD2 LYS 39 - HA ARG 84 lone 5 97 - 5 - HG3 ARG 70 - HA ARG 84 lone 4 85 - 5 - HG3 ARG 54 - HA LYS 73 lone 4 81 - 5 - HG3 ARG 70 - HA LEU 29 lone 4 48 - 9 - ~2864=1, ~546=1 HG3 ARG 70 - HA LYS 73 lone 4 77 - 5 - 792/3.0=1, 5.0/4008=1 HB2 LEU 86 - HA ARG 84 lone 4 81 - 5 - HD3 LYS 73 - HA LEU 29 lone 4 51 - 8 - HD2 LYS 73 - HA LEU 29 lone 4 51 - 8 - HD2 LYS 32 - HA ARG 82 lone 4 65 - 6 - HD2 LYS 39 - HA LEU 29 lone 4 59 - 6 - HD3 LYS 39 - HA LEU 29 lone 4 58 - 6 - HD3 LYS 32 - HA ARG 82 lone 3 61 - 6 - HG LEU 62 - HA ARG 84 lone 3 65 - 5 - HG2 ARG 17 - HA LYS 73 lone 3 63 - 5 - HG3 ARG 17 - HA LYS 73 lone 3 61 - 5 - HG2 ARG 26 - HA ARG 84 lone 3 63 - 4 - HG3 ARG 54 - HA LEU 29 lone 3 51 - 5 - 4.8/4582=1 HG3 ARG 54 - HA ARG 84 lone 2 89 - 3 - HB3 LEU 62 - HA ARG 82 lone 2 79 - 3 - HB3 LEU 51 - HA ARG 84 lone 2 99 - 2 - HG LEU 86 - HA ARG 82 lone 2 79 - 2 - HG2 ARG 71 - HA LEU 29 lone 2 37 - 5 - HG2 ARG 71 - HA ARG 82 lone 1 47 - 3 - HG2 ARG 26 - HA LYS 73 lone 1 56 - 3 - HG2 ARG 17 - HA ARG 82 lone 1 50 - 3 - HG3 ARG 70 - HA ARG 82 lone 1 61 - 2 - HB3 LEU 51 - HA ARG 82 lone 1 78 - 2 - HG3 ARG 17 - HA ARG 82 lone 1 47 - 3 - HB2 LEU 86 - HA ARG 82 lone 1 58 - 2 - HG LEU 62 - HA ARG 82 lone 1 45 - 2 - HG2 ARG 26 - HA LEU 29 lone 1 33 - 3 - HG2 ARG 17 - HA LEU 29 lone 1 38 - 3 - HG3 ARG 17 - HA LEU 29 lone 1 37 - 3 - HG2 ARG 26 - HA ARG 82 lone 1 43 - 2 - Peak 3372 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.44 A): 5 out of 80 assignments used, quality = 1.00: HG2 ARG 84 + HA ARG 84 OK 86 100 - 86 - 3.9=69, 3379/3.0=7...(27) * HG3 ARG 84 + HA ARG 84 OK 86 100 - 86 - 3.9=69, 3379/3.0=7...(27) HB3 LEU 29 + HA LEU 29 OK 56 56 - 100 - 3.0=100 HD3 LYS 73 + HA LYS 73 OK 51 81 - 63 - 5.2=29, 3.5/2960=6...(17) HD2 LYS 73 + HA LYS 73 OK 51 81 - 63 - 5.2=29, 3.5/2960=6...(17) HG LEU 86 - HA LEU 29 OK 30 63 - 48 - 1486/3.0=4, 2.1/1512=4...(28) HB3 LEU 62 - HA LEU 29 OK 28 63 - 45 - 1491=4, 1492/3.0=4...(24) HD2 LYS 32 - HA LYS 73 OK 22 81 - 27 - 3019=2, 1.8/3019=2...(9) HD3 LYS 32 - HA LYS 73 OK 21 77 - 27 - 3019=2, 1.8/3009=2...(9) HB2 LEU 86 - HA LEU 29 OK 19 45 - 43 - 3523/3.0=3, 3.1/1512=3...(20) HB3 LEU 29 - HA ARG 84 OK 18 95 - 19 - 1.8/1484=2, 1491=1...(6) HB3 LEU 29 - HA LYS 73 OK 18 87 - 21 - 1.8/1484=3, 1491=2...(8) HD3 LYS 73 - HA ARG 84 OK 16 89 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HD2 LYS 73 - HA ARG 84 OK 16 89 - 19 - 2.9/2962=2, 3.5/2969=2...(6) HG3 ARG 84 - HA LYS 73 OK 16 96 - 17 - 3.0/3384=2, 3.0/3376=2 HG2 ARG 84 - HA LYS 73 OK 16 96 - 17 - 3.0/3384=2, 3.0/3376=2 HG LEU 62 - HA LEU 29 OK 15 35 - 42 - 1486/3.0=3, 547/3.0=3...(26) HD3 LYS 39 - HA LYS 73 OK 13 90 - 14 - HD2 LYS 39 - HA LYS 73 OK 13 91 - 14 - HG3 ARG 84 - HA LEU 29 OK 13 64 - 20 - 547/3.0=2, 1486/3.0=1...(5) HG2 ARG 84 - HA LEU 29 OK 13 64 - 20 - 547/3.0=2, 1486/3.0=1...(5) HG3 ARG 54 - HA ARG 82 OK 12 65 - 18 - ~5478=2, ~5475=2...(7) HB3 LEU 51 - HA LEU 29 OK 11 63 - 17 - 2227/4.0=2, ~78=2...(5) HB3 LEU 62 - HA LYS 73 OK 11 95 - 11 - HG2 ARG 17 - HA ARG 84 poor 9 71 - 13 - HB3 LEU 29 - HA ARG 82 poor 9 71 - 13 - 1.8/1484=2, 5896/3.6=1, 1491=1 HG3 ARG 17 - HA ARG 84 poor 9 68 - 13 - HD2 LYS 32 - HA ARG 84 lone 8 89 - 9 - HD3 LYS 32 - HA ARG 84 lone 8 85 - 9 - HD2 LYS 32 - HA LEU 29 poor 7 51 - 14 - ~1594=2, ~78=1, ~1584=1...(6) HG LEU 86 - HA LYS 73 lone 7 95 - 8 - HD3 LYS 32 - HA LEU 29 poor 7 48 - 14 - ~1594=2, ~78=1, ~1584=1...(6) HG LEU 62 - HA LYS 73 poor 6 58 - 10 - ~5263=1, 2.1/5402=1, ~3910=1 HG3 ARG 84 - HA ARG 82 lone 6 80 - 8 - 5896/3.6=2 HG2 ARG 84 - HA ARG 82 lone 6 80 - 8 - 5896/3.6=2 HB3 LEU 51 - HA LYS 73 lone 6 94 - 6 - ~5205=1 HG2 ARG 71 - HA ARG 84 lone 6 68 - 9 - HB3 LEU 62 - HA ARG 84 lone 6 100 - 6 - HD2 LYS 73 - HA ARG 82 lone 6 65 - 9 - 5896/3.6=1 HD3 LYS 73 - HA ARG 82 lone 6 65 - 9 - 5896/3.6=1 HD3 LYS 39 - HA ARG 82 lone 5 74 - 7 - HG LEU 86 - HA ARG 84 lone 5 100 - 5 - HD2 LYS 39 - HA ARG 82 lone 5 75 - 7 - HG2 ARG 71 - HA LYS 73 lone 5 61 - 8 - 5.0/2958=1, 5.0/4008=1 HB2 LEU 86 - HA LYS 73 lone 5 73 - 7 - HD3 LYS 39 - HA ARG 84 lone 5 97 - 5 - HD2 LYS 39 - HA ARG 84 lone 5 97 - 5 - HG3 ARG 70 - HA ARG 84 lone 4 85 - 5 - HG3 ARG 54 - HA LYS 73 lone 4 81 - 5 - HG3 ARG 70 - HA LEU 29 lone 4 48 - 9 - ~2864=1, ~546=1 HG3 ARG 70 - HA LYS 73 lone 4 77 - 5 - 792/3.0=1, 5.0/4008=1 HB2 LEU 86 - HA ARG 84 lone 4 81 - 5 - HD3 LYS 73 - HA LEU 29 lone 4 51 - 8 - HD2 LYS 73 - HA LEU 29 lone 4 51 - 8 - HD2 LYS 32 - HA ARG 82 lone 4 65 - 6 - HD2 LYS 39 - HA LEU 29 lone 4 59 - 6 - HD3 LYS 39 - HA LEU 29 lone 4 58 - 6 - HD3 LYS 32 - HA ARG 82 lone 3 61 - 6 - HG LEU 62 - HA ARG 84 lone 3 65 - 5 - HG2 ARG 17 - HA LYS 73 lone 3 63 - 5 - HG3 ARG 17 - HA LYS 73 lone 3 61 - 5 - HG2 ARG 26 - HA ARG 84 lone 3 63 - 4 - HG3 ARG 54 - HA LEU 29 lone 3 51 - 5 - 4.8/4582=1 HG3 ARG 54 - HA ARG 84 lone 2 89 - 3 - HB3 LEU 62 - HA ARG 82 lone 2 79 - 3 - HB3 LEU 51 - HA ARG 84 lone 2 99 - 2 - HG LEU 86 - HA ARG 82 lone 2 79 - 2 - HG2 ARG 71 - HA LEU 29 lone 2 37 - 5 - HG2 ARG 71 - HA ARG 82 lone 1 47 - 3 - HG2 ARG 26 - HA LYS 73 lone 1 56 - 3 - HG2 ARG 17 - HA ARG 82 lone 1 50 - 3 - HG3 ARG 70 - HA ARG 82 lone 1 61 - 2 - HB3 LEU 51 - HA ARG 82 lone 1 78 - 2 - HG3 ARG 17 - HA ARG 82 lone 1 47 - 3 - HB2 LEU 86 - HA ARG 82 lone 1 58 - 2 - HG LEU 62 - HA ARG 82 lone 1 45 - 2 - HG2 ARG 26 - HA LEU 29 lone 1 33 - 3 - HG2 ARG 17 - HA LEU 29 lone 1 38 - 3 - HG3 ARG 17 - HA LEU 29 lone 1 37 - 3 - HG2 ARG 26 - HA ARG 82 lone 1 43 - 2 - Peak 3376 from cnoeabs.peaks (4.18, 1.73, 30.41 ppm; 5.35 A): 1 out of 18 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB2 ARG 84 OK 42 99 - 43 - 377/4.6=4, 841/4.0=3...(19) HA ILE 89 - HB2 ARG 84 OK 35 92 - 38 - 3599/1.8=4, 3.0/5890=4...(17) HA LEU 29 - HB2 ARG 84 OK 33 73 - 45 - 3.0/546=4, 3.7/1499=3...(21) HA ARG 82 - HB2 ARG 84 OK 20 99 - 20 - 3.6/833=3, ~5473=2...(6) HA ARG 84 - HB3 ARG 17 OK 19 77 - 25 - 3.0/5890=2, ~1149=1...(6) HB THR 15 - HB2 ARG 84 OK 10 89 - 12 - 1132/4.0=3, ~1138=2...(4) HA ILE 89 - HB3 ARG 17 poor 9 65 - 14 - ~408=2, ~877=2...(5) HA GLN 79 - HB2 ARG 84 lone 8 95 - 9 - 5445/4.0=2 HA LYS 73 - HB3 ARG 17 poor 8 74 - 10 - HA ALA 53 - HB2 ARG 84 lone 5 81 - 6 - HA ARG 82 - HB3 ARG 17 lone 4 73 - 6 - HA ALA 78 - HB2 ARG 84 lone 4 78 - 4 - HA LEU 29 - HB3 ARG 17 lone 3 49 - 7 - HB THR 15 - HB3 ARG 17 lone 3 62 - 4 - HA GLN 79 - HB3 ARG 17 lone 2 68 - 2 - HA ALA 53 - HB3 ARG 17 lone 1 55 - 3 - HA ALA 78 - HB3 ARG 17 lone 1 53 - 2 - Peak 3377 from cnoeabs.peaks (1.73, 1.73, 30.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 HB3 ARG 17 + HB3 ARG 17 OK 62 62 - 100 Peak 3378 from cnoeabs.peaks (1.80, 1.73, 30.41 ppm; 2.40 A): 1 out of 26 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 1.8=100 HB2 LYS 85 - HB2 ARG 84 OK 13 100 - 14 - 4.0/378=2, 3436=2 HB2 LYS 73 - HB2 ARG 84 poor 9 83 - 12 - 3436=1 HB3 LYS 73 - HB2 ARG 84 poor 8 71 - 11 - 3290=1 HB ILE 89 - HB2 ARG 84 lone 7 81 - 8 - HB2 LYS 83 - HB2 ARG 84 lone 7 81 - 8 - 4.3/842=2 HB3 ARG 84 - HB3 ARG 17 lone 3 77 - 4 - HB3 LYS 75 - HB2 ARG 84 lone 3 92 - 3 - HB3 LYS 39 - HB2 ARG 84 lone 3 83 - 3 - HB2 LYS 32 - HB2 ARG 84 lone 2 60 - 4 - HB3 LYS 32 - HB2 ARG 84 lone 2 60 - 4 - HB2 ARG 69 - HB2 ARG 84 lone 2 100 - 2 - HB2 LYS 13 - HB2 ARG 84 lone 2 95 - 2 - HB2 LYS 85 - HB3 ARG 17 lone 1 77 - 2 - HB2 LYS 73 - HB3 ARG 17 lone 1 56 - 2 - HB ILE 89 - HB3 ARG 17 lone 1 55 - 2 - HB2 PRO 34 - HB2 ARG 84 lone 1 76 - 1 - HB3 LYS 73 - HB3 ARG 17 lone 1 47 - 2 - HB3 LYS 39 - HB3 ARG 17 lone 1 56 - 2 - HB3 LYS 32 - HB3 ARG 17 lone 1 39 - 1 - HB2 LYS 32 - HB3 ARG 17 lone 1 39 - 1 - HB3 LYS 75 - HB3 ARG 17 lone 1 65 - 1 - HB2 LYS 83 - HB3 ARG 17 lone 1 55 - 1 - HB2 LYS 13 - HB3 ARG 17 lone 0 68 - 0 - HB2 PRO 34 - HB3 ARG 17 lone 0 51 - 0 - HB2 ARG 69 - HB3 ARG 17 lone 0 77 - 0 - Peak 3379 from cnoeabs.peaks (1.59, 1.73, 30.41 ppm; 2.72 A): 2 out of 40 assignments used, quality = 0.98: * HG2 ARG 84 + HB2 ARG 84 OK 86 100 - 86 - 3.0=79, 3394/1.8=6...(11) HG3 ARG 84 + HB2 ARG 84 OK 86 100 - 86 - 3.0=79, 3394/1.8=6...(11) HG2 ARG 17 - HB3 ARG 17 OK 40 47 - 86 - 2.9=79, 1.8/1181=4...(17) HG3 ARG 17 - HB3 ARG 17 OK 39 45 - 86 - 2.9=79, 1.8/1181=4...(17) HB3 LEU 29 - HB2 ARG 84 OK 15 95 - 16 - 1492=2, 3.0/1499=2, 4.0/546=1 HD2 LYS 73 - HB2 ARG 84 OK 10 89 - 11 - 3.5/3378=1 HD3 LYS 73 - HB2 ARG 84 OK 10 89 - 11 - 3.5/3378=1 HG2 ARG 71 - HB3 ARG 17 poor 8 45 - 19 - ~1149=1, ~2930=1...(4) HG3 ARG 84 - HB3 ARG 17 lone 6 77 - 8 - HG2 ARG 84 - HB3 ARG 17 lone 6 77 - 8 - HB3 LEU 62 - HB2 ARG 84 lone 5 100 - 5 - HG2 ARG 17 - HB2 ARG 84 lone 5 71 - 7 - HG3 ARG 17 - HB2 ARG 84 lone 5 68 - 8 - HG LEU 86 - HB2 ARG 84 lone 5 100 - 5 - HD2 LYS 32 - HB2 ARG 84 lone 5 89 - 5 - HD3 LYS 32 - HB2 ARG 84 lone 4 85 - 5 - HG3 ARG 70 - HB2 ARG 84 lone 4 85 - 5 - HB2 LEU 86 - HB2 ARG 84 lone 4 81 - 5 - HG2 ARG 71 - HB2 ARG 84 lone 4 68 - 6 - HG LEU 86 - HB3 ARG 17 lone 4 75 - 5 - HG2 ARG 26 - HB3 ARG 17 lone 4 41 - 9 - HB2 LEU 86 - HB3 ARG 17 lone 4 55 - 6 - HG LEU 62 - HB2 ARG 84 lone 3 65 - 4 - HD3 LYS 39 - HB2 ARG 84 lone 3 97 - 3 - HD2 LYS 39 - HB2 ARG 84 lone 3 97 - 3 - HB3 LEU 62 - HB3 ARG 17 lone 3 75 - 4 - HD2 LYS 73 - HB3 ARG 17 lone 2 62 - 3 - HD3 LYS 73 - HB3 ARG 17 lone 2 62 - 3 - HG2 ARG 26 - HB2 ARG 84 lone 2 63 - 3 - HB3 LEU 51 - HB2 ARG 84 lone 2 99 - 2 - HD2 LYS 32 - HB3 ARG 17 lone 2 62 - 2 - HD3 LYS 32 - HB3 ARG 17 lone 1 58 - 2 - HG3 ARG 54 - HB2 ARG 84 lone 1 89 - 1 - HB3 LEU 29 - HB3 ARG 17 lone 1 68 - 2 - HG3 ARG 70 - HB3 ARG 17 lone 1 58 - 2 - HD2 LYS 39 - HB3 ARG 17 lone 1 71 - 2 - HD3 LYS 39 - HB3 ARG 17 lone 1 70 - 2 - HG LEU 62 - HB3 ARG 17 lone 1 43 - 2 - HB3 LEU 51 - HB3 ARG 17 lone 1 75 - 1 - HG3 ARG 54 - HB3 ARG 17 lone 0 62 - 1 - Peak 3380 from cnoeabs.peaks (1.59, 1.73, 30.41 ppm; 2.72 A): 2 out of 40 assignments used, quality = 0.98: HG2 ARG 84 + HB2 ARG 84 OK 86 100 - 86 - 3.0=79, 3394/1.8=6...(11) * HG3 ARG 84 + HB2 ARG 84 OK 86 100 - 86 - 3.0=79, 3394/1.8=6...(11) HG2 ARG 17 - HB3 ARG 17 OK 40 47 - 86 - 2.9=79, 1.8/1181=4...(17) HG3 ARG 17 - HB3 ARG 17 OK 39 45 - 86 - 2.9=79, 1.8/1181=4...(17) HB3 LEU 29 - HB2 ARG 84 OK 15 95 - 16 - 1492=2, 3.0/1499=2, 4.0/546=1 HD2 LYS 73 - HB2 ARG 84 OK 10 89 - 11 - 3.5/3378=1 HD3 LYS 73 - HB2 ARG 84 OK 10 89 - 11 - 3.5/3378=1 HG2 ARG 71 - HB3 ARG 17 poor 8 45 - 19 - ~1149=1, ~2930=1...(4) HG3 ARG 84 - HB3 ARG 17 lone 6 77 - 8 - HG2 ARG 84 - HB3 ARG 17 lone 6 77 - 8 - HB3 LEU 62 - HB2 ARG 84 lone 5 100 - 5 - HG2 ARG 17 - HB2 ARG 84 lone 5 71 - 7 - HG3 ARG 17 - HB2 ARG 84 lone 5 68 - 8 - HG LEU 86 - HB2 ARG 84 lone 5 100 - 5 - HD2 LYS 32 - HB2 ARG 84 lone 5 89 - 5 - HD3 LYS 32 - HB2 ARG 84 lone 4 85 - 5 - HG3 ARG 70 - HB2 ARG 84 lone 4 85 - 5 - HB2 LEU 86 - HB2 ARG 84 lone 4 81 - 5 - HG2 ARG 71 - HB2 ARG 84 lone 4 68 - 6 - HG LEU 86 - HB3 ARG 17 lone 4 75 - 5 - HG2 ARG 26 - HB3 ARG 17 lone 4 41 - 9 - HB2 LEU 86 - HB3 ARG 17 lone 4 55 - 6 - HG LEU 62 - HB2 ARG 84 lone 3 65 - 4 - HD3 LYS 39 - HB2 ARG 84 lone 3 97 - 3 - HD2 LYS 39 - HB2 ARG 84 lone 3 97 - 3 - HB3 LEU 62 - HB3 ARG 17 lone 3 75 - 4 - HD2 LYS 73 - HB3 ARG 17 lone 2 62 - 3 - HD3 LYS 73 - HB3 ARG 17 lone 2 62 - 3 - HG2 ARG 26 - HB2 ARG 84 lone 2 63 - 3 - HB3 LEU 51 - HB2 ARG 84 lone 2 99 - 2 - HD2 LYS 32 - HB3 ARG 17 lone 2 62 - 2 - HD3 LYS 32 - HB3 ARG 17 lone 1 58 - 2 - HG3 ARG 54 - HB2 ARG 84 lone 1 89 - 1 - HB3 LEU 29 - HB3 ARG 17 lone 1 68 - 2 - HG3 ARG 70 - HB3 ARG 17 lone 1 58 - 2 - HD2 LYS 39 - HB3 ARG 17 lone 1 71 - 2 - HD3 LYS 39 - HB3 ARG 17 lone 1 70 - 2 - HG LEU 62 - HB3 ARG 17 lone 1 43 - 2 - HB3 LEU 51 - HB3 ARG 17 lone 1 75 - 1 - HG3 ARG 54 - HB3 ARG 17 lone 0 62 - 1 - Peak 3381 from cnoeabs.peaks (3.15, 1.73, 30.41 ppm; 3.95 A): 4 out of 26 assignments used, quality = 1.00: * HD2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.5=100 HD3 ARG 17 + HB3 ARG 17 OK 68 68 - 100 - 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 68 68 - 100 - 3.6=100 HD2 ARG 71 - HB3 ARG 17 OK 22 74 - 30 - ~1149=2, ~2930=2...(12) HD2 ARG 17 - HB2 ARG 84 OK 16 95 - 17 - 3390/1.8=2, ~3390=1, ~3389=1 HD3 ARG 17 - HB2 ARG 84 OK 16 95 - 17 - 3390/1.8=2, ~3390=1, ~3389=1 HD2 ARG 84 - HB3 ARG 17 OK 13 77 - 17 - HD3 ARG 84 - HB3 ARG 17 OK 13 76 - 17 - HD2 ARG 26 - HB3 ARG 17 OK 12 43 - 28 - 1152/3.0=1, ~1149=1...(5) HD2 ARG 71 - HB2 ARG 84 OK 12 99 - 12 - 3389/1.8=1 HD3 ARG 27 - HB3 ARG 17 OK 11 53 - 22 - 1152/3.0=1, ~1153=1...(4) HD2 ARG 27 - HB3 ARG 17 OK 11 53 - 22 - 1153/3.0=1, ~1153=1...(4) HD3 ARG 26 - HB3 ARG 17 OK 11 41 - 28 - 1152/3.0=1, ~1149=1...(5) HD3 ARG 23 - HB3 ARG 17 poor 9 60 - 14 - HD2 ARG 23 - HB3 ARG 17 poor 9 60 - 14 - HB2 PHE 48 - HB2 ARG 84 lone 7 76 - 9 - 3.0/4463=2, 1.8/4475=1...(4) HD2 ARG 26 - HB2 ARG 84 lone 6 65 - 9 - HD3 ARG 26 - HB2 ARG 84 lone 5 63 - 9 - HD3 ARG 23 - HB2 ARG 84 lone 5 87 - 5 - HD2 ARG 23 - HB2 ARG 84 lone 5 87 - 5 - HD2 ARG 82 - HB2 ARG 84 lone 4 100 - 4 - HD2 ARG 27 - HB2 ARG 84 lone 4 78 - 5 - HD3 ARG 27 - HB2 ARG 84 lone 4 78 - 5 - HD2 ARG 82 - HB3 ARG 17 lone 1 77 - 2 - HB2 PHE 48 - HB3 ARG 17 lone 1 51 - 2 - Peak 3382 from cnoeabs.peaks (3.15, 1.73, 30.41 ppm; 3.95 A): 4 out of 26 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.5=100 HD2 ARG 17 + HB3 ARG 17 OK 70 70 - 100 - 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 70 70 - 100 - 3.6=100 HD2 ARG 71 - HB3 ARG 17 OK 21 72 - 30 - ~1149=2, ~2930=2...(12) HD2 ARG 17 - HB2 ARG 84 OK 16 97 - 17 - 3390/1.8=2, ~3390=1, ~3389=1 HD3 ARG 17 - HB2 ARG 84 OK 16 97 - 17 - 3390/1.8=2, ~3390=1, ~3389=1 HD2 ARG 26 - HB3 ARG 17 OK 13 47 - 28 - 1153/3.0=2, ~1149=1...(5) HD2 ARG 84 - HB3 ARG 17 OK 13 76 - 17 - 1153/3.0=1 HD3 ARG 84 - HB3 ARG 17 OK 13 77 - 17 - 1153/3.0=1 HD2 ARG 27 - HB3 ARG 17 OK 12 56 - 22 - 1153/3.0=2, ~1153=1...(5) HD3 ARG 27 - HB3 ARG 17 OK 12 56 - 22 - 1153/3.0=2, ~1153=1...(5) HD3 ARG 26 - HB3 ARG 17 OK 12 45 - 28 - 1152/3.0=2, ~1149=1...(5) HD2 ARG 71 - HB2 ARG 84 OK 11 98 - 12 - 3389/1.8=1 HD3 ARG 23 - HB3 ARG 17 poor 9 63 - 14 - HD2 ARG 23 - HB3 ARG 17 poor 9 63 - 14 - HB2 PHE 48 - HB2 ARG 84 lone 7 71 - 9 - 3.0/4463=2, 1.8/4475=1 HD2 ARG 26 - HB2 ARG 84 lone 6 71 - 9 - HD3 ARG 26 - HB2 ARG 84 lone 6 68 - 9 - HD3 ARG 23 - HB2 ARG 84 lone 5 90 - 5 - HD2 ARG 23 - HB2 ARG 84 lone 5 90 - 5 - HD3 ARG 27 - HB2 ARG 84 lone 4 83 - 5 - HD2 ARG 27 - HB2 ARG 84 lone 4 83 - 5 - HD2 ARG 82 - HB2 ARG 84 lone 4 100 - 4 - HD2 ARG 82 - HB3 ARG 17 lone 1 77 - 2 - HB2 PHE 48 - HB3 ARG 17 lone 1 47 - 2 - Peak 3384 from cnoeabs.peaks (4.18, 1.80, 30.41 ppm; 4.10 A): 1 out of 36 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 HA LYS 73 - HB3 ARG 84 OK 29 99 - 29 - 377/4.6=3, 841/4.0=2...(8) HA ILE 89 - HB3 ARG 84 OK 26 92 - 28 - 3599=3, 3.0/5891=3...(14) HA LEU 29 - HB3 ARG 84 OK 19 73 - 27 - 3.0/3385=2, ~546=2...(9) HA LYS 73 - HB2 LYS 32 OK 17 47 - 36 - ~5987=3, 5188/4.3=3...(12) HA LYS 73 - HB3 LYS 32 OK 17 47 - 36 - ~5987=3, 5188/4.3=3...(12) HA ARG 82 - HB3 ARG 84 OK 12 99 - 12 - 841/4.0=1, ~5473=1...(4) HA LEU 29 - HB2 LYS 32 poor 10 29 - 33 - 5188/4.3=11, 4205/4.0=3...(10) HA LEU 29 - HB3 LYS 32 poor 10 29 - 33 - 5188/4.3=11, 4205/4.0=3...(10) HA ARG 82 - HB2 PRO 34 poor 8 67 - 12 - 6051/2.3=1 HA ARG 84 - HB3 LYS 32 poor 7 49 - 13 - HA ARG 84 - HB2 LYS 32 poor 7 49 - 13 - HB THR 15 - HB3 ARG 84 lone 6 89 - 7 - 1132/4.0=2, ~1138=1 HA ARG 82 - HB2 LYS 32 poor 5 46 - 11 - 6051/1.8=1 HA ARG 82 - HB3 LYS 32 poor 5 46 - 11 - 6051/1.8=1 HA GLN 79 - HB3 ARG 84 lone 5 95 - 5 - 5445/4.0=1 HA ALA 53 - HB2 LYS 32 poor 4 33 - 12 - ~4549=2, 3.0/4963=1...(5) HA ALA 53 - HB3 LYS 32 poor 4 33 - 12 - ~4549=2, 3.0/4963=1...(5) HA ARG 84 - HB2 PRO 34 lone 3 70 - 5 - HA LYS 73 - HB2 PRO 34 lone 3 68 - 5 - HA ALA 53 - HB3 ARG 84 lone 3 81 - 4 - HA ALA 78 - HB3 ARG 84 lone 2 78 - 3 - HA ALA 53 - HB2 PRO 34 lone 2 49 - 3 - HA ILE 89 - HB2 LYS 32 lone 2 40 - 4 - 5179/4.3=1 HA ILE 89 - HB3 LYS 32 lone 2 40 - 4 - 5179/4.3=1 HA ILE 89 - HB2 PRO 34 lone 1 59 - 2 - HA GLN 79 - HB2 PRO 34 lone 1 62 - 2 - HA GLN 79 - HB3 LYS 32 lone 1 42 - 2 - HA GLN 79 - HB2 LYS 32 lone 1 42 - 2 - HA LEU 29 - HB2 PRO 34 lone 1 44 - 2 - HB THR 15 - HB2 PRO 34 lone 1 56 - 1 - HB THR 15 - HB2 LYS 32 lone 1 38 - 2 - HB THR 15 - HB3 LYS 32 lone 1 38 - 2 - HA ALA 78 - HB2 LYS 32 lone 1 32 - 2 - HA ALA 78 - HB3 LYS 32 lone 1 32 - 2 - HA ALA 78 - HB2 PRO 34 lone 1 48 - 1 - Peak 3385 from cnoeabs.peaks (1.73, 1.80, 30.41 ppm; 2.40 A): 1 out of 44 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 1.8=100 HB3 LYS 85 - HB3 ARG 84 OK 14 100 - 14 - 3445=2, 378/4.6=2, 6062/3.0=2 HB2 LEU 29 - HB3 ARG 84 lone 10 97 - 10 - HB3 LYS 83 - HB3 ARG 84 lone 9 98 - 10 - 4.3/843=2, 3445=2, 6062/3.0=1 HG2 ARG 70 - HB3 ARG 84 lone 4 87 - 5 - HB3 ARG 17 - HB3 ARG 84 lone 4 89 - 4 - HG3 ARG 71 - HB3 ARG 84 lone 3 71 - 5 - HB2 LEU 62 - HB3 ARG 84 lone 3 83 - 3 - HB2 LEU 43 - HB3 ARG 84 lone 2 100 - 2 - HG2 ARG 70 - HB2 LYS 32 lone 2 37 - 6 - HG2 ARG 70 - HB3 LYS 32 lone 2 37 - 6 - HG3 ARG 71 - HB2 PRO 34 lone 2 42 - 5 - HG3 ARG 26 - HB2 PRO 34 lone 2 48 - 5 - HG3 ARG 26 - HB3 ARG 84 lone 2 78 - 2 - HB2 ARG 84 - HB2 LYS 32 lone 2 49 - 4 - HB2 ARG 84 - HB3 LYS 32 lone 2 49 - 4 - HG3 ARG 71 - HB2 LYS 32 lone 2 28 - 6 - HG3 ARG 71 - HB3 LYS 32 lone 2 28 - 6 - HB2 LEU 29 - HB3 LYS 32 lone 1 45 - 3 - HB2 LEU 29 - HB2 LYS 32 lone 1 45 - 3 - HB3 LYS 85 - HB3 LYS 32 lone 1 48 - 2 - HB3 LYS 85 - HB2 LYS 32 lone 1 48 - 2 - HB2 ARG 84 - HB2 PRO 34 lone 1 70 - 1 - HB2 LEU 62 - HB3 LYS 32 lone 1 34 - 2 - HB2 LEU 62 - HB2 LYS 32 lone 1 34 - 2 - HB3 LYS 85 - HB2 PRO 34 lone 1 69 - 1 - HB2 LEU 62 - HB2 PRO 34 lone 1 51 - 1 - HB3 LEU 64 - HB3 ARG 84 lone 1 60 - 1 - HB3 LYS 83 - HB2 PRO 34 lone 1 66 - 1 - HB3 LYS 83 - HB2 LYS 32 lone 1 45 - 1 - HB3 LYS 83 - HB3 LYS 32 lone 1 45 - 1 - HG3 ARG 26 - HB3 LYS 32 lone 1 32 - 2 - HG3 ARG 26 - HB2 LYS 32 lone 1 32 - 2 - HB3 ARG 17 - HB2 LYS 32 lone 1 38 - 1 - HB3 ARG 17 - HB3 LYS 32 lone 1 38 - 1 - HB2 LEU 29 - HB2 PRO 34 lone 0 65 - 0 - HB3 LEU 64 - HB3 LYS 32 lone 0 23 - 1 - HB3 LEU 64 - HB2 LYS 32 lone 0 23 - 1 - HB2 LEU 43 - HB3 LYS 32 lone 0 48 - 1 - HB2 LEU 43 - HB2 LYS 32 lone 0 48 - 1 - HB2 LEU 43 - HB2 PRO 34 lone 0 70 - 0 - HB3 ARG 17 - HB2 PRO 34 lone 0 56 - 0 - HG2 ARG 70 - HB2 PRO 34 lone 0 54 - 0 - HB3 LEU 64 - HB2 PRO 34 lone 0 35 - 0 - Peak 3386 from cnoeabs.peaks (1.80, 1.80, 30.41 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 HB2 PRO 34 + HB2 PRO 34 OK 46 46 - 100 HB2 LYS 32 - HB2 LYS 32 OK 23 23 - 100 HB3 LYS 32 - HB3 LYS 32 OK 23 23 - 100 Peak 3387 from cnoeabs.peaks (1.59, 1.80, 30.41 ppm; 2.90 A): 2 out of 80 assignments used, quality = 1.00: HG3 ARG 84 + HB3 ARG 84 OK 97 100 - 97 - 3.0=95, 1.8/3394=7...(16) * HG2 ARG 84 + HB3 ARG 84 OK 97 100 - 97 - 3.0=95, 1.8/3394=7...(16) HD2 LYS 32 - HB2 LYS 32 OK 28 38 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD2 LYS 32 - HB3 LYS 32 OK 28 38 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD3 LYS 32 - HB2 LYS 32 OK 26 36 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD3 LYS 32 - HB3 LYS 32 OK 26 36 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HB3 LEU 29 - HB3 ARG 84 OK 15 95 - 16 - 1.8/3385=2, 1492/1.8=2 HD3 LYS 73 - HB2 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD2 LYS 73 - HB2 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD2 LYS 73 - HB3 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD3 LYS 73 - HB3 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HG3 ARG 54 - HB2 LYS 32 OK 10 38 - 27 - ~2325=2, ~1558=2...(11) HG3 ARG 54 - HB3 LYS 32 OK 10 38 - 27 - ~2325=2, ~1558=2...(11) HD3 LYS 73 - HB3 ARG 84 poor 9 89 - 10 - HD2 LYS 73 - HB3 ARG 84 poor 9 89 - 10 - HD2 LYS 32 - HB2 PRO 34 poor 8 56 - 15 - HD3 LYS 32 - HB2 PRO 34 poor 8 53 - 15 - HD2 LYS 39 - HB2 PRO 34 poor 8 65 - 12 - HD3 LYS 39 - HB2 PRO 34 poor 8 64 - 12 - HB3 LEU 51 - HB3 LYS 32 poor 8 47 - 16 - 2225/2.9=2, ~1559=1 HB3 LEU 51 - HB2 LYS 32 poor 8 47 - 16 - 2225/2.9=2, ~1559=1 HG2 ARG 17 - HB3 ARG 84 lone 6 71 - 9 - HG3 ARG 17 - HB3 ARG 84 lone 6 68 - 9 - HB3 LEU 51 - HB2 PRO 34 lone 6 68 - 9 - ~4862=2, ~5566=1 HG3 ARG 54 - HB2 PRO 34 poor 6 56 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 6 40 - 14 - HD3 LYS 39 - HB2 LYS 32 poor 6 44 - 13 - HD3 LYS 39 - HB3 LYS 32 poor 6 44 - 13 - HB3 LEU 62 - HB3 ARG 84 lone 5 100 - 5 - HD2 LYS 39 - HB2 LYS 32 poor 5 45 - 12 - HD2 LYS 39 - HB3 LYS 32 poor 5 45 - 12 - HG3 ARG 70 - HB3 ARG 84 lone 5 85 - 6 - HG LEU 86 - HB3 ARG 84 lone 5 100 - 5 - HG2 ARG 71 - HB3 ARG 84 lone 5 68 - 7 - HB2 LEU 86 - HB3 ARG 84 lone 4 81 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 4 89 - 5 - HD3 LYS 32 - HB3 ARG 84 lone 4 85 - 5 - HG2 ARG 26 - HB2 PRO 34 poor 4 37 - 10 - HB2 LEU 86 - HB2 PRO 34 lone 4 49 - 7 - HG2 ARG 84 - HB3 LYS 32 lone 4 49 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 4 49 - 7 - HG3 ARG 84 - HB3 LYS 32 lone 4 49 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 4 49 - 7 - HD2 LYS 39 - HB3 ARG 84 lone 3 97 - 3 - HD3 LYS 39 - HB3 ARG 84 lone 3 97 - 3 - HG LEU 62 - HB3 ARG 84 lone 3 65 - 5 - HG3 ARG 70 - HB2 LYS 32 lone 3 36 - 8 - 4.0/5984=1 HG3 ARG 70 - HB3 LYS 32 lone 3 36 - 8 - 4.0/5984=1 HG2 ARG 26 - HB3 ARG 84 lone 3 63 - 4 - HG2 ARG 71 - HB3 LYS 32 lone 2 27 - 9 - HG2 ARG 71 - HB2 LYS 32 lone 2 27 - 9 - HB3 LEU 62 - HB2 PRO 34 lone 2 69 - 3 - HB3 LEU 29 - HB3 LYS 32 lone 2 42 - 5 - HB3 LEU 29 - HB2 LYS 32 lone 2 42 - 5 - HG LEU 86 - HB2 PRO 34 lone 2 69 - 3 - HB3 LEU 62 - HB3 LYS 32 lone 2 48 - 4 - HB3 LEU 62 - HB2 LYS 32 lone 2 48 - 4 - HG2 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD3 LYS 73 - HB2 PRO 34 lone 2 56 - 3 - HD2 LYS 73 - HB2 PRO 34 lone 2 56 - 3 - HB3 LEU 51 - HB3 ARG 84 lone 1 99 - 1 - HG3 ARG 54 - HB3 ARG 84 lone 1 89 - 2 - HG LEU 86 - HB2 LYS 32 lone 1 48 - 3 - HG LEU 86 - HB3 LYS 32 lone 1 48 - 3 - HG2 ARG 17 - HB2 LYS 32 lone 1 28 - 4 - HG2 ARG 17 - HB3 LYS 32 lone 1 28 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 1 27 - 4 - HG3 ARG 17 - HB2 LYS 32 lone 1 27 - 4 - HG LEU 62 - HB3 LYS 32 lone 1 25 - 4 - HG LEU 62 - HB2 LYS 32 lone 1 25 - 4 - HB2 LEU 86 - HB2 LYS 32 lone 1 33 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 1 33 - 3 - HG2 ARG 26 - HB3 LYS 32 lone 1 24 - 3 - HG2 ARG 26 - HB2 LYS 32 lone 1 24 - 3 - HG LEU 62 - HB2 PRO 34 lone 1 38 - 2 - HB3 LEU 29 - HB2 PRO 34 lone 1 62 - 1 - HG2 ARG 17 - HB2 PRO 34 lone 0 42 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 0 40 - 1 - HG3 ARG 70 - HB2 PRO 34 lone 0 53 - 1 - Peak 3388 from cnoeabs.peaks (1.59, 1.80, 30.41 ppm; 2.90 A): 2 out of 80 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 97 100 - 97 - 3.0=95, 1.8/3394=7...(16) HG2 ARG 84 + HB3 ARG 84 OK 97 100 - 97 - 3.0=95, 1.8/3394=7...(16) HD2 LYS 32 - HB2 LYS 32 OK 28 38 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD2 LYS 32 - HB3 LYS 32 OK 28 38 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD3 LYS 32 - HB2 LYS 32 OK 26 36 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HD3 LYS 32 - HB3 LYS 32 OK 26 36 - 73 - 3.5=58, ~1558=5, ~1595=3...(15) HB3 LEU 29 - HB3 ARG 84 OK 15 95 - 16 - 1.8/3385=2, 1492/1.8=2 HD3 LYS 73 - HB2 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD2 LYS 73 - HB2 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD2 LYS 73 - HB3 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HD3 LYS 73 - HB3 LYS 32 OK 11 38 - 29 - 1600/2.9=1, 1618/2.9=1...(8) HG3 ARG 54 - HB2 LYS 32 OK 10 38 - 27 - ~2325=2, ~1558=2...(11) HG3 ARG 54 - HB3 LYS 32 OK 10 38 - 27 - ~2325=2, ~1558=2...(11) HD3 LYS 73 - HB3 ARG 84 poor 9 89 - 10 - HD2 LYS 73 - HB3 ARG 84 poor 9 89 - 10 - HD2 LYS 32 - HB2 PRO 34 poor 8 56 - 15 - HD3 LYS 32 - HB2 PRO 34 poor 8 53 - 15 - HD2 LYS 39 - HB2 PRO 34 poor 8 65 - 12 - HD3 LYS 39 - HB2 PRO 34 poor 8 64 - 12 - HB3 LEU 51 - HB3 LYS 32 poor 8 47 - 16 - 2225/2.9=2, ~1559=1 HB3 LEU 51 - HB2 LYS 32 poor 8 47 - 16 - 2225/2.9=2, ~1559=1 HG2 ARG 17 - HB3 ARG 84 lone 6 71 - 9 - HG3 ARG 17 - HB3 ARG 84 lone 6 68 - 9 - HB3 LEU 51 - HB2 PRO 34 lone 6 68 - 9 - ~4862=2, ~5566=1 HG3 ARG 54 - HB2 PRO 34 poor 6 56 - 10 - HG2 ARG 71 - HB2 PRO 34 poor 6 40 - 14 - HD3 LYS 39 - HB2 LYS 32 poor 6 44 - 13 - HD3 LYS 39 - HB3 LYS 32 poor 6 44 - 13 - HB3 LEU 62 - HB3 ARG 84 lone 5 100 - 5 - HD2 LYS 39 - HB2 LYS 32 poor 5 45 - 12 - HD2 LYS 39 - HB3 LYS 32 poor 5 45 - 12 - HG3 ARG 70 - HB3 ARG 84 lone 5 85 - 6 - HG LEU 86 - HB3 ARG 84 lone 5 100 - 5 - HG2 ARG 71 - HB3 ARG 84 lone 5 68 - 7 - HB2 LEU 86 - HB3 ARG 84 lone 4 81 - 5 - HD2 LYS 32 - HB3 ARG 84 lone 4 89 - 5 - HD3 LYS 32 - HB3 ARG 84 lone 4 85 - 5 - HG2 ARG 26 - HB2 PRO 34 poor 4 37 - 10 - HB2 LEU 86 - HB2 PRO 34 lone 4 49 - 7 - HG2 ARG 84 - HB3 LYS 32 lone 4 49 - 7 - HG2 ARG 84 - HB2 LYS 32 lone 4 49 - 7 - HG3 ARG 84 - HB3 LYS 32 lone 4 49 - 7 - HG3 ARG 84 - HB2 LYS 32 lone 4 49 - 7 - HD2 LYS 39 - HB3 ARG 84 lone 3 97 - 3 - HD3 LYS 39 - HB3 ARG 84 lone 3 97 - 3 - HG LEU 62 - HB3 ARG 84 lone 3 65 - 5 - HG3 ARG 70 - HB2 LYS 32 lone 3 36 - 8 - 4.0/5984=1 HG3 ARG 70 - HB3 LYS 32 lone 3 36 - 8 - 4.0/5984=1 HG2 ARG 26 - HB3 ARG 84 lone 3 63 - 4 - HG2 ARG 71 - HB3 LYS 32 lone 2 27 - 9 - HG2 ARG 71 - HB2 LYS 32 lone 2 27 - 9 - HB3 LEU 62 - HB2 PRO 34 lone 2 69 - 3 - HB3 LEU 29 - HB3 LYS 32 lone 2 42 - 5 - HB3 LEU 29 - HB2 LYS 32 lone 2 42 - 5 - HG LEU 86 - HB2 PRO 34 lone 2 69 - 3 - HB3 LEU 62 - HB3 LYS 32 lone 2 48 - 4 - HB3 LEU 62 - HB2 LYS 32 lone 2 48 - 4 - HG2 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HG3 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD3 LYS 73 - HB2 PRO 34 lone 2 56 - 3 - HD2 LYS 73 - HB2 PRO 34 lone 2 56 - 3 - HB3 LEU 51 - HB3 ARG 84 lone 1 99 - 1 - HG3 ARG 54 - HB3 ARG 84 lone 1 89 - 2 - HG LEU 86 - HB2 LYS 32 lone 1 48 - 3 - HG LEU 86 - HB3 LYS 32 lone 1 48 - 3 - HG2 ARG 17 - HB2 LYS 32 lone 1 28 - 4 - HG2 ARG 17 - HB3 LYS 32 lone 1 28 - 4 - HG3 ARG 17 - HB3 LYS 32 lone 1 27 - 4 - HG3 ARG 17 - HB2 LYS 32 lone 1 27 - 4 - HG LEU 62 - HB3 LYS 32 lone 1 25 - 4 - HG LEU 62 - HB2 LYS 32 lone 1 25 - 4 - HB2 LEU 86 - HB2 LYS 32 lone 1 33 - 3 - HB2 LEU 86 - HB3 LYS 32 lone 1 33 - 3 - HG2 ARG 26 - HB3 LYS 32 lone 1 24 - 3 - HG2 ARG 26 - HB2 LYS 32 lone 1 24 - 3 - HG LEU 62 - HB2 PRO 34 lone 1 38 - 2 - HB3 LEU 29 - HB2 PRO 34 lone 1 62 - 1 - HG2 ARG 17 - HB2 PRO 34 lone 0 42 - 1 - HG3 ARG 17 - HB2 PRO 34 lone 0 40 - 1 - HG3 ARG 70 - HB2 PRO 34 lone 0 53 - 1 - Peak 3389 from cnoeabs.peaks (3.15, 1.80, 30.41 ppm; 3.77 A): 2 out of 52 assignments used, quality = 1.00: * HD2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.5=100 HD3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.5=100 HD3 ARG 17 - HB3 ARG 84 OK 15 95 - 16 - 3418=1, 1.8/3418=1, 3381/1.8=1 HD2 ARG 17 - HB3 ARG 84 OK 15 95 - 16 - 3418=1, 1.8/3418=1, 3381/1.8=1 HD2 ARG 71 - HB3 ARG 84 lone 10 99 - 10 - HD2 ARG 71 - HB2 PRO 34 poor 9 67 - 13 - HD2 ARG 71 - HB3 LYS 32 poor 7 47 - 15 - HD2 ARG 71 - HB2 LYS 32 poor 7 47 - 15 - HD2 ARG 26 - HB2 PRO 34 poor 6 38 - 16 - ~1723=1 HD3 ARG 26 - HB2 PRO 34 poor 6 37 - 16 - ~1723=1 HD2 ARG 26 - HB3 ARG 84 lone 6 65 - 8 - HD3 ARG 26 - HB3 ARG 84 lone 5 63 - 8 - HB2 PHE 48 - HB3 ARG 84 lone 4 76 - 6 - ~4463=1 HD3 ARG 23 - HB3 ARG 84 lone 4 87 - 5 - HD2 ARG 23 - HB3 ARG 84 lone 4 87 - 5 - HD2 ARG 84 - HB2 LYS 32 lone 4 49 - 9 - HD2 ARG 84 - HB3 LYS 32 lone 4 49 - 9 - HD3 ARG 84 - HB3 LYS 32 lone 4 48 - 9 - HD3 ARG 84 - HB2 LYS 32 lone 4 48 - 9 - HD2 ARG 27 - HB3 ARG 84 lone 4 78 - 5 - HD3 ARG 27 - HB3 ARG 84 lone 4 78 - 5 - HD2 ARG 82 - HB3 ARG 84 lone 4 100 - 4 - HB2 PHE 48 - HB2 PRO 34 lone 3 46 - 6 - ~4651=2, 4473/2.3=1 HD2 ARG 17 - HB3 LYS 32 lone 2 42 - 5 - HD3 ARG 17 - HB2 LYS 32 lone 2 42 - 5 - HD3 ARG 17 - HB3 LYS 32 lone 2 42 - 5 - HD2 ARG 17 - HB2 LYS 32 lone 2 42 - 5 - HD2 ARG 82 - HB2 PRO 34 lone 2 70 - 3 - HD2 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD3 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD2 ARG 26 - HB3 LYS 32 lone 2 25 - 6 - HD2 ARG 26 - HB2 LYS 32 lone 2 25 - 6 - HD3 ARG 26 - HB3 LYS 32 lone 2 24 - 6 - HD3 ARG 26 - HB2 LYS 32 lone 2 24 - 6 - HD3 ARG 27 - HB2 PRO 34 lone 2 48 - 3 - HD2 ARG 27 - HB2 PRO 34 lone 2 48 - 3 - HD2 ARG 82 - HB3 LYS 32 lone 1 49 - 3 - HD2 ARG 82 - HB2 LYS 32 lone 1 49 - 3 - HD3 ARG 23 - HB2 PRO 34 lone 1 54 - 2 - HD2 ARG 23 - HB2 PRO 34 lone 1 54 - 2 - HD3 ARG 27 - HB2 LYS 32 lone 1 32 - 3 - HD2 ARG 27 - HB3 LYS 32 lone 1 32 - 3 - HD2 ARG 27 - HB2 LYS 32 lone 1 32 - 3 - HD3 ARG 27 - HB3 LYS 32 lone 1 32 - 3 - HD3 ARG 17 - HB2 PRO 34 lone 1 62 - 2 - HD2 ARG 17 - HB2 PRO 34 lone 1 62 - 2 - HD2 ARG 23 - HB3 LYS 32 lone 1 37 - 2 - HD2 ARG 23 - HB2 LYS 32 lone 1 37 - 2 - HD3 ARG 23 - HB3 LYS 32 lone 1 37 - 2 - HD3 ARG 23 - HB2 LYS 32 lone 1 37 - 2 - HB2 PHE 48 - HB2 LYS 32 lone 1 31 - 2 - HB2 PHE 48 - HB3 LYS 32 lone 1 31 - 2 - Peak 3390 from cnoeabs.peaks (3.15, 1.80, 30.41 ppm; 3.77 A): 2 out of 52 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.5=100 HD2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.5=100 HD3 ARG 17 - HB3 ARG 84 OK 15 97 - 16 - 3418=1, 1.8/3418=1, 3382/1.8=1 HD2 ARG 17 - HB3 ARG 84 OK 15 97 - 16 - 3418=1, 1.8/3418=1, 3382/1.8=1 HD2 ARG 71 - HB3 ARG 84 lone 10 98 - 10 - HD2 ARG 71 - HB2 PRO 34 poor 9 66 - 13 - HD2 ARG 26 - HB2 PRO 34 poor 7 42 - 16 - ~1723=1 HD2 ARG 71 - HB2 LYS 32 poor 7 45 - 15 - HD2 ARG 71 - HB3 LYS 32 poor 7 45 - 15 - HD3 ARG 26 - HB2 PRO 34 poor 6 40 - 16 - ~1723=1 HD2 ARG 26 - HB3 ARG 84 lone 6 71 - 8 - HD3 ARG 26 - HB3 ARG 84 lone 6 68 - 8 - HD3 ARG 23 - HB3 ARG 84 lone 5 90 - 5 - HD2 ARG 23 - HB3 ARG 84 lone 5 90 - 5 - HD3 ARG 84 - HB2 LYS 32 lone 4 49 - 9 - HD3 ARG 84 - HB3 LYS 32 lone 4 49 - 9 - HD2 ARG 84 - HB2 LYS 32 lone 4 48 - 9 - HD2 ARG 84 - HB3 LYS 32 lone 4 48 - 9 - HD2 ARG 27 - HB3 ARG 84 lone 4 83 - 5 - HD3 ARG 27 - HB3 ARG 84 lone 4 83 - 5 - HB2 PHE 48 - HB3 ARG 84 lone 4 71 - 6 - ~4463=1 HD2 ARG 82 - HB3 ARG 84 lone 4 100 - 4 - HB2 PHE 48 - HB2 PRO 34 lone 3 42 - 6 - ~4651=2, 4473/2.3=1 HD2 ARG 17 - HB2 LYS 32 lone 2 44 - 5 - HD2 ARG 17 - HB3 LYS 32 lone 2 44 - 5 - HD3 ARG 17 - HB2 LYS 32 lone 2 44 - 5 - HD3 ARG 17 - HB3 LYS 32 lone 2 44 - 5 - HD2 ARG 82 - HB2 PRO 34 lone 2 70 - 3 - HD2 ARG 26 - HB3 LYS 32 lone 2 28 - 6 - HD2 ARG 26 - HB2 LYS 32 lone 2 28 - 6 - HD2 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD3 ARG 84 - HB2 PRO 34 lone 2 70 - 2 - HD3 ARG 26 - HB2 LYS 32 lone 2 27 - 6 - HD3 ARG 26 - HB3 LYS 32 lone 2 27 - 6 - HD3 ARG 27 - HB2 PRO 34 lone 2 51 - 3 - HD2 ARG 27 - HB2 PRO 34 lone 2 51 - 3 - HD2 ARG 82 - HB3 LYS 32 lone 1 49 - 3 - HD2 ARG 82 - HB2 LYS 32 lone 1 49 - 3 - HD3 ARG 27 - HB2 LYS 32 lone 1 34 - 3 - HD2 ARG 27 - HB3 LYS 32 lone 1 34 - 3 - HD2 ARG 27 - HB2 LYS 32 lone 1 34 - 3 - HD3 ARG 27 - HB3 LYS 32 lone 1 34 - 3 - HD2 ARG 23 - HB2 PRO 34 lone 1 57 - 2 - HD3 ARG 23 - HB2 PRO 34 lone 1 57 - 2 - HD3 ARG 17 - HB2 PRO 34 lone 1 64 - 2 - HD2 ARG 17 - HB2 PRO 34 lone 1 64 - 2 - HD2 ARG 23 - HB3 LYS 32 lone 1 39 - 2 - HD2 ARG 23 - HB2 LYS 32 lone 1 39 - 2 - HD3 ARG 23 - HB3 LYS 32 lone 1 39 - 2 - HD3 ARG 23 - HB2 LYS 32 lone 1 39 - 2 - HB2 PHE 48 - HB2 LYS 32 lone 1 28 - 2 - HB2 PHE 48 - HB3 LYS 32 lone 1 28 - 2 - Peak 3392 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.93 A): 2 out of 81 assignments used, quality = 1.00: HA ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.9=100 * HA ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.9=100 HA LEU 29 - HG LEU 86 OK 33 44 - 74 - ~1488=7, ~1489=6...(41) HA LYS 73 - HG2 ARG 84 OK 32 99 - 32 - 3376/3.0=4, 3384/3.0=4...(9) HA LYS 73 - HG3 ARG 84 OK 32 99 - 32 - 3376/3.0=4, 3384/3.0=4...(9) HA ALA 53 - HG3 ARG 54 OK 31 59 - 53 - ~5949=13, 4560/4.8=10...(9) HA ARG 82 - HG3 ARG 54 OK 30 78 - 39 - ~5478=4, 5886/3.0=4...(16) HA LEU 29 - HG2 ARG 84 OK 27 73 - 36 - 3376/3.0=3, 3.0/547=3...(17) HA LEU 29 - HG3 ARG 84 OK 27 73 - 36 - 3376/3.0=3, 3.0/547=3...(17) HA ILE 89 - HG3 ARG 84 OK 22 92 - 24 - 3599/3.0=4, 3376/3.0=3...(9) HA ILE 89 - HG2 ARG 84 OK 22 92 - 24 - 3599/3.0=4, 3376/3.0=3...(9) HA ILE 89 - HG LEU 86 OK 21 60 - 36 - 3600/2.1=6, 4038/5.3=4...(14) HA ARG 84 - HG2 ARG 17 OK 16 58 - 28 - 3376/2.9=2, 5888/3.0=1 HA LEU 29 - HG LEU 62 OK 16 24 - 69 - ~1488=6, ~549=5...(39) HA ARG 82 - HG3 ARG 84 OK 16 99 - 16 - 3.6/5896=4, 3376/3.0=2...(4) HA ARG 82 - HG2 ARG 84 OK 16 99 - 16 - 3.6/5896=4, 3376/3.0=2...(4) HA ARG 84 - HG3 ARG 17 OK 16 56 - 28 - 3376/2.9=2, 5888/3.0=1 HA LYS 73 - HG LEU 86 OK 11 69 - 15 - 1481/2.1=1 HA LYS 73 - HG3 ARG 54 poor 9 79 - 12 - 208/4.9=2, 4582/4.8=2 HA LEU 29 - HG3 ARG 70 poor 8 46 - 18 - ~2864=3, ~546=3...(4) HA LYS 73 - HG LEU 62 poor 8 39 - 20 - ~5263=2, ~3910=2...(5) HA LYS 73 - HG3 ARG 70 poor 8 71 - 11 - 4008/5.0=2, 3.0/792=2 HA ARG 84 - HG3 ARG 70 poor 7 73 - 10 - 4008/5.0=1, 6038/4.9=1 HA ARG 84 - HG LEU 86 poor 7 71 - 10 - HA LYS 73 - HG2 ARG 17 poor 6 57 - 10 - HA LEU 29 - HG3 ARG 54 poor 6 52 - 11 - 4582/4.8=2, 208/4.9=1, 3.6/82=1 HA LYS 73 - HG3 ARG 17 poor 6 54 - 10 - HA ALA 53 - HG2 ARG 84 lone 6 81 - 7 - HA ALA 53 - HG3 ARG 84 lone 6 81 - 7 - HA ARG 84 - HG2 ARG 26 lone 5 55 - 10 - HB THR 15 - HG2 ARG 84 lone 5 89 - 6 - 1132/5.0=2, 3376/3.0=1 HB THR 15 - HG3 ARG 84 lone 5 89 - 6 - 1132/5.0=2, 3376/3.0=1 HA GLN 79 - HG3 ARG 84 lone 5 95 - 5 - 5445/5.0=1 HA GLN 79 - HG2 ARG 84 lone 5 95 - 5 - 5445/5.0=1 HA ARG 84 - HG3 ARG 54 lone 5 81 - 6 - HA ILE 89 - HG2 ARG 17 lone 5 49 - 10 - 3599/2.9=1, ~877=1 HA ILE 89 - HG3 ARG 17 lone 5 47 - 10 - 3599/2.9=1, ~877=1 HA ARG 84 - HG LEU 62 poor 4 40 - 10 - HA GLN 79 - HG3 ARG 70 lone 4 64 - 6 - HA ARG 82 - HG3 ARG 70 lone 4 70 - 5 - HA ARG 82 - HG2 ARG 17 lone 4 56 - 6 - HA ARG 82 - HG3 ARG 17 lone 4 53 - 6 - HA ALA 78 - HG3 ARG 54 lone 3 57 - 6 - 5862/3.0=2, 5862/3.0=2 HA ARG 82 - HG LEU 86 lone 3 67 - 4 - HA LYS 73 - HG2 ARG 26 lone 3 53 - 6 - HA GLN 79 - HG3 ARG 54 lone 3 72 - 4 - HA ALA 53 - HG LEU 86 lone 3 50 - 5 - HA ALA 53 - HG LEU 62 lone 3 27 - 10 - 3.6/679=2, 4.8/2304=2...(4) HA ALA 78 - HG3 ARG 84 lone 2 78 - 3 - HA ALA 78 - HG2 ARG 84 lone 2 78 - 3 - HA LEU 29 - HG2 ARG 26 lone 2 33 - 7 - 3963/4.9=1 HA ILE 89 - HG3 ARG 54 lone 2 69 - 3 - HA ARG 82 - HG2 ARG 26 lone 2 52 - 4 - HA LEU 29 - HG2 ARG 17 lone 2 36 - 5 - HA ILE 89 - HG2 ARG 26 lone 2 45 - 4 - HA LEU 29 - HG3 ARG 17 lone 2 34 - 5 - HA ARG 82 - HG LEU 62 lone 2 38 - 5 - HB THR 15 - HG3 ARG 54 lone 2 66 - 2 - HA ILE 89 - HG3 ARG 70 lone 2 62 - 2 - HB THR 15 - HG LEU 86 lone 1 57 - 2 - HA ILE 89 - HG LEU 62 lone 1 33 - 4 - HA GLN 79 - HG LEU 86 lone 1 62 - 2 - HA ALA 53 - HG3 ARG 70 lone 1 52 - 2 - HA GLN 79 - HG2 ARG 17 lone 1 51 - 2 - HA GLN 79 - HG2 ARG 26 lone 1 47 - 3 - HA GLN 79 - HG3 ARG 17 lone 1 49 - 2 - HB THR 15 - HG2 ARG 17 lone 1 46 - 2 - HB THR 15 - HG3 ARG 17 lone 1 44 - 2 - HA ALA 53 - HG2 ARG 17 lone 1 40 - 3 - HA ALA 78 - HG LEU 86 lone 1 48 - 2 - HA ALA 78 - HG LEU 62 lone 1 26 - 4 - ~5962=1 HA ALA 53 - HG3 ARG 17 lone 1 39 - 3 - HB THR 15 - HG3 ARG 70 lone 1 59 - 2 - HB THR 15 - HG2 ARG 26 lone 1 43 - 2 - HA ALA 78 - HG2 ARG 26 lone 1 36 - 2 - HB THR 15 - HG LEU 62 lone 1 31 - 3 - HA ALA 78 - HG3 ARG 70 lone 1 50 - 2 - HA ALA 53 - HG2 ARG 26 lone 1 37 - 2 - HA GLN 79 - HG LEU 62 lone 1 34 - 2 - HA ALA 78 - HG2 ARG 17 lone 1 39 - 2 - HA ALA 78 - HG3 ARG 17 lone 1 37 - 2 - Peak 3393 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 3 out of 99 assignments used, quality = 0.96: HB2 ARG 84 + HG3 ARG 84 OK 70 100 - 71 - 3.0=59, 3380/1.8=6...(11) * HB2 ARG 84 + HG2 ARG 84 OK 70 100 - 71 - 3.0=59, 3380/1.8=6...(11) HG2 ARG 70 + HG3 ARG 70 OK 57 57 - 100 - 1.8=100 HG3 ARG 26 - HG2 ARG 26 OK 36 36 - 100 - 1.8=100 HB3 ARG 17 - HG2 ARG 17 OK 32 46 - 71 - 2.9=59, 1167/1.8=5...(11) HB3 ARG 17 - HG3 ARG 17 OK 31 44 - 71 - 2.9=59, 1167/1.8=5...(11) HB2 LEU 29 - HG LEU 86 OK 25 66 - 38 - 1486=5, 1488/2.1=4...(10) HB2 LEU 62 - HG LEU 62 OK 20 28 - 70 - 3.0=58, 2571/5.0=3...(13) HB2 LEU 29 - HG2 ARG 84 OK 14 97 - 14 - 1486=2, 1486/1.8=1, 3385/3.0=1 HB2 LEU 29 - HG3 ARG 84 OK 14 97 - 14 - 1486=2, 1486/1.8=1, 3385/3.0=1 HB2 LEU 62 - HG LEU 86 OK 12 52 - 24 - 2574=3, 2577/2.1=2...(4) HB2 LEU 29 - HG LEU 62 OK 12 36 - 32 - 1486=4, 1488/2.1=3...(9) HB2 LEU 62 - HG3 ARG 54 poor 9 60 - 15 - 2574=2, ~2328=1...(4) HB3 LYS 85 - HG3 ARG 84 lone 8 100 - 8 - 3385/3.0=1, 6062/3.9=1 HB3 LYS 85 - HG2 ARG 84 lone 8 100 - 8 - 3385/3.0=1, 6062/3.9=1 HG3 ARG 71 - HG2 ARG 26 poor 7 32 - 22 - ~1394=2, 2932=2, 2929/3.7=2 HB3 LYS 83 - HG3 ARG 84 lone 6 98 - 6 - 842/5.0=1, 3385/3.0=1 HB3 LYS 83 - HG2 ARG 84 lone 6 98 - 6 - 842/5.0=1, 3385/3.0=1 HG3 ARG 71 - HG2 ARG 17 poor 6 34 - 17 - 2932/1.8=2, 2932=2, 1149/4.0=1 HB3 ARG 17 - HG3 ARG 84 lone 6 89 - 6 - HB3 ARG 17 - HG2 ARG 84 lone 6 89 - 6 - HG3 ARG 71 - HG3 ARG 17 poor 6 33 - 17 - 2932/1.8=2, 2932=2, 1149/4.0=1 HB2 LEU 43 - HG LEU 62 poor 5 40 - 13 - 2015/2.1=1, 3.1/5214=1 HG3 ARG 71 - HG3 ARG 70 poor 5 44 - 11 - 2928/5.0=2, ~2869=1, 2932=1 HG2 ARG 70 - HG3 ARG 84 lone 5 87 - 5 - HG2 ARG 70 - HG2 ARG 84 lone 5 87 - 5 - HG3 ARG 71 - HG3 ARG 84 lone 5 71 - 6 - HG3 ARG 71 - HG2 ARG 84 lone 5 71 - 6 - HB2 LEU 43 - HG LEU 86 lone 4 71 - 6 - HB2 LEU 62 - HG3 ARG 84 lone 4 83 - 5 - HB2 LEU 62 - HG2 ARG 84 lone 4 83 - 5 - HG3 ARG 26 - HG2 ARG 17 lone 4 39 - 10 - 1394/1.8=1, 1394=1 HB2 LEU 29 - HG3 ARG 70 lone 4 68 - 5 - HG3 ARG 26 - HG3 ARG 17 lone 4 37 - 10 - 1394/1.8=1, 1394=1 HG2 ARG 70 - HG LEU 86 lone 4 55 - 6 - 2869=1 HB2 ARG 84 - HG2 ARG 17 lone 4 58 - 6 - HB2 ARG 84 - HG3 ARG 17 lone 3 56 - 6 - HB3 LYS 85 - HG LEU 86 lone 3 70 - 5 - 387/5.3=2 HB3 LEU 64 - HG3 ARG 70 lone 3 37 - 9 - HB3 ARG 17 - HG2 ARG 26 lone 3 43 - 7 - HB2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HB2 LEU 43 - HG3 ARG 84 lone 3 100 - 3 - HB2 LEU 43 - HG2 ARG 84 lone 3 100 - 3 - HB3 LEU 64 - HG LEU 86 lone 3 35 - 8 - HB2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HB3 ARG 17 - HG LEU 86 lone 3 57 - 5 - HB2 LEU 43 - HG3 ARG 54 lone 2 81 - 3 - HG3 ARG 26 - HG3 ARG 84 lone 2 78 - 3 - HG3 ARG 26 - HG2 ARG 84 lone 2 78 - 3 - HB3 LYS 85 - HG3 ARG 70 lone 2 72 - 3 - HG2 ARG 70 - HG2 ARG 26 lone 2 41 - 5 - 2869=1 HG3 ARG 26 - HG3 ARG 70 lone 2 50 - 4 - HG2 ARG 70 - HG2 ARG 17 lone 2 45 - 4 - HG2 ARG 70 - HG3 ARG 17 lone 2 43 - 4 - HB2 LEU 62 - HG3 ARG 70 lone 2 53 - 3 - HB2 LEU 43 - HG3 ARG 70 lone 2 73 - 2 - HB2 LEU 29 - HG3 ARG 54 lone 2 76 - 2 - HB2 LEU 29 - HG2 ARG 26 lone 2 50 - 3 - 5348/3.7=1 HB2 LEU 62 - HG2 ARG 26 lone 2 39 - 4 - HB3 LEU 64 - HG2 ARG 17 lone 2 28 - 5 - HB3 LEU 64 - HG3 ARG 17 lone 1 27 - 5 - HB2 ARG 84 - HG LEU 62 lone 1 40 - 3 - HG3 ARG 26 - HG LEU 86 lone 1 48 - 2 - HB3 LYS 83 - HG LEU 86 lone 1 67 - 2 - HB2 ARG 84 - HG2 ARG 26 lone 1 55 - 2 - HG3 ARG 26 - HG LEU 62 lone 1 26 - 4 - HB2 ARG 84 - HG3 ARG 54 lone 1 81 - 1 - HB3 LEU 64 - HG LEU 62 lone 1 19 - 6 - HB3 ARG 17 - HG3 ARG 70 lone 1 59 - 2 - HB3 LYS 83 - HG3 ARG 70 lone 1 69 - 1 - HG3 ARG 71 - HG LEU 86 lone 1 43 - 2 - HB3 LYS 85 - HG2 ARG 17 lone 1 58 - 2 - HG2 ARG 70 - HG LEU 62 lone 1 30 - 3 - HB3 LYS 85 - HG3 ARG 17 lone 1 55 - 2 - HB2 LEU 62 - HG2 ARG 17 lone 1 42 - 2 - HB2 LEU 29 - HG2 ARG 17 lone 1 54 - 2 - HB2 LEU 62 - HG3 ARG 17 lone 1 40 - 2 - HB2 LEU 29 - HG3 ARG 17 lone 1 52 - 2 - HG3 ARG 71 - HG LEU 62 lone 1 23 - 4 - HB3 LEU 64 - HG3 ARG 54 lone 1 42 - 2 - HB3 LEU 64 - HG2 ARG 84 lone 1 60 - 1 - HB3 LEU 64 - HG3 ARG 84 lone 1 60 - 1 - HB3 LYS 85 - HG LEU 62 lone 1 39 - 2 - HB2 LEU 43 - HG2 ARG 26 lone 1 54 - 1 - HB3 LYS 83 - HG3 ARG 54 lone 1 77 - 1 - HG2 ARG 70 - HG3 ARG 54 lone 1 64 - 1 - HB3 ARG 17 - HG LEU 62 lone 1 31 - 2 - HB2 LEU 43 - HG2 ARG 17 lone 0 58 - 1 - HB3 LYS 83 - HG2 ARG 17 lone 0 55 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 0 56 - 1 - HB3 LYS 83 - HG3 ARG 17 lone 0 53 - 1 - HB3 LYS 85 - HG3 ARG 54 lone 0 80 - 0 - HB3 LYS 85 - HG2 ARG 26 lone 0 54 - 1 - HG3 ARG 71 - HG3 ARG 54 lone 0 50 - 1 - HB3 LEU 64 - HG2 ARG 26 lone 0 26 - 1 - HB3 ARG 17 - HG3 ARG 54 lone 0 66 - 0 - HB3 LYS 83 - HG LEU 62 lone 0 37 - 1 - HB3 LYS 83 - HG2 ARG 26 lone 0 51 - 1 - HG3 ARG 26 - HG3 ARG 54 lone 0 57 - 0 - Peak 3394 from cnoeabs.peaks (1.80, 1.59, 27.31 ppm; 2.75 A): 2 out of 117 assignments used, quality = 0.99: * HB3 ARG 84 + HG2 ARG 84 OK 89 100 - 89 - 3.0=81, 1.8/3380=7...(11) HB3 ARG 84 + HG3 ARG 84 OK 89 100 - 89 - 3.0=81, 1.8/3380=7...(11) HB2 LYS 85 - HG3 ARG 84 OK 10 100 - 10 - 3378/3.0=2 HB2 LYS 85 - HG2 ARG 84 OK 10 100 - 10 - 3378/3.0=2 HB2 LYS 73 - HG3 ARG 84 OK 10 83 - 13 - 3378/3.0=1 HB2 LYS 73 - HG2 ARG 84 OK 10 83 - 13 - 3378/3.0=1 HB3 LYS 32 - HG3 ARG 54 poor 10 42 - 23 - ~2325=2, ~1558=2...(6) HB2 LYS 32 - HG3 ARG 54 poor 10 42 - 23 - ~2325=2, ~1558=2...(6) HB3 LYS 39 - HG3 ARG 54 poor 9 60 - 16 - 2.9/1869=2, 2.9/1879=1...(5) HB ILE 89 - HG LEU 86 poor 9 50 - 18 - 3607/2.1=2, ~4840=2...(5) HB3 LYS 73 - HG3 ARG 84 poor 8 71 - 12 - 3378/3.0=1 HB3 LYS 73 - HG2 ARG 84 poor 8 71 - 12 - 3378/3.0=1 HB ILE 89 - HG3 ARG 84 lone 6 81 - 8 - 3605/3.9=1 HB ILE 89 - HG2 ARG 84 lone 6 81 - 8 - 3605/3.9=1 HB3 LYS 39 - HG LEU 86 poor 6 52 - 13 - ~5111=1, ~5206=1, 2.9/1869=1 HB2 LYS 83 - HG3 ARG 84 lone 6 81 - 7 - 4.3/844=1 HB2 LYS 83 - HG2 ARG 84 lone 6 81 - 7 - 4.3/844=1 HB3 LYS 39 - HG2 ARG 84 lone 5 83 - 6 - HB3 LYS 39 - HG3 ARG 84 lone 5 83 - 6 - HB3 ARG 84 - HG2 ARG 17 lone 5 58 - 8 - HB3 ARG 84 - HG3 ARG 17 lone 4 56 - 8 - HB2 PRO 34 - HG3 ARG 54 lone 4 55 - 8 - HB2 ARG 69 - HG3 ARG 70 lone 4 73 - 5 - 3941/4.9=3, 5984/4.0=2 HB3 LYS 32 - HG3 ARG 84 lone 4 60 - 6 - HB3 LYS 32 - HG2 ARG 84 lone 4 60 - 6 - HB2 LYS 32 - HG2 ARG 84 lone 4 60 - 6 - HB2 LYS 32 - HG3 ARG 84 lone 4 60 - 6 - HB2 LYS 85 - HG LEU 86 lone 4 71 - 5 - 386/5.3=2 HB3 ARG 84 - HG3 ARG 70 lone 4 73 - 5 - HB3 ARG 84 - HG LEU 86 lone 3 71 - 5 - HB2 PRO 34 - HG2 ARG 26 lone 3 35 - 9 - HB2 LYS 85 - HG3 ARG 70 lone 3 73 - 4 - HB3 LYS 75 - HG3 ARG 84 lone 3 92 - 3 - HB3 LYS 75 - HG2 ARG 84 lone 3 92 - 3 - HB2 LYS 73 - HG LEU 86 lone 3 52 - 5 - HB2 LYS 73 - HG3 ARG 70 lone 3 53 - 5 - 5061/4.0=2 HB3 LYS 32 - HG3 ARG 70 lone 3 37 - 7 - HB2 LYS 32 - HG3 ARG 70 lone 3 37 - 7 - HB3 LYS 75 - HG3 ARG 70 lone 2 62 - 4 - 5984/4.0=1 HB3 LYS 73 - HG LEU 86 lone 2 43 - 5 - HB2 ARG 69 - HG2 ARG 84 lone 2 100 - 2 - HB2 ARG 69 - HG3 ARG 84 lone 2 100 - 2 - HB3 LYS 73 - HG3 ARG 70 lone 2 44 - 4 - 5984/4.0=1 HB3 LYS 39 - HG LEU 62 lone 2 28 - 7 - HB3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HB3 ARG 84 - HG2 ARG 26 lone 2 55 - 3 - HB2 LYS 13 - HG3 ARG 84 lone 2 95 - 2 - HB2 LYS 13 - HG2 ARG 84 lone 2 95 - 2 - HB2 LYS 73 - HG3 ARG 54 lone 2 60 - 2 - HB2 PRO 34 - HG2 ARG 84 lone 1 76 - 2 - HB2 PRO 34 - HG3 ARG 84 lone 1 76 - 2 - HB2 PRO 34 - HG LEU 86 lone 1 46 - 3 - HB2 LYS 73 - HG2 ARG 17 lone 1 42 - 3 - HB2 LYS 73 - HG LEU 62 lone 1 28 - 5 - HB3 LYS 75 - HG LEU 86 lone 1 60 - 2 - HB2 ARG 69 - HG LEU 62 lone 1 40 - 3 - HB2 LYS 73 - HG3 ARG 17 lone 1 40 - 3 - HB3 ARG 84 - HG3 ARG 54 lone 1 81 - 1 - HB2 LYS 13 - HG LEU 86 lone 1 62 - 2 - HB2 LYS 85 - HG2 ARG 17 lone 1 58 - 2 - HB3 LYS 73 - HG2 ARG 17 lone 1 34 - 3 - HB2 ARG 69 - HG LEU 86 lone 1 71 - 2 - HB2 LYS 32 - HG2 ARG 17 lone 1 28 - 4 - HB3 LYS 32 - HG2 ARG 17 lone 1 28 - 4 - HB2 LYS 85 - HG3 ARG 17 lone 1 56 - 2 - HB3 LYS 73 - HG3 ARG 17 lone 1 33 - 3 - HB3 LYS 32 - HG3 ARG 17 lone 1 27 - 4 - HB2 LYS 32 - HG3 ARG 17 lone 1 27 - 4 - HB3 LYS 75 - HG3 ARG 54 lone 1 69 - 1 - HB3 LYS 73 - HG LEU 62 lone 1 23 - 4 - HB3 LYS 32 - HG LEU 86 lone 1 35 - 3 - HB2 LYS 32 - HG LEU 86 lone 1 35 - 3 - HB ILE 89 - HG2 ARG 17 lone 1 40 - 2 - HB ILE 89 - HG3 ARG 17 lone 1 39 - 2 - HB2 LYS 13 - HG3 ARG 70 lone 1 64 - 1 - HB2 LYS 83 - HG3 ARG 70 lone 1 52 - 2 - HB3 LYS 73 - HG3 ARG 54 lone 1 50 - 2 - HB3 LYS 32 - HG2 ARG 26 lone 1 26 - 3 - HB2 LYS 32 - HG2 ARG 26 lone 1 26 - 3 - HB3 LYS 39 - HG2 ARG 17 lone 1 42 - 2 - HB2 LYS 83 - HG LEU 86 lone 1 50 - 2 - HB3 LYS 39 - HG3 ARG 17 lone 1 40 - 2 - HB3 LYS 39 - HG3 ARG 70 lone 1 53 - 1 - HB2 LYS 85 - HG LEU 62 lone 1 40 - 2 - HB2 LYS 32 - HG LEU 62 lone 1 19 - 3 - HB3 LYS 32 - HG LEU 62 lone 1 19 - 3 - HB2 LYS 85 - HG3 ARG 54 lone 1 81 - 1 - HB2 LYS 73 - HG2 ARG 26 lone 1 39 - 1 - HB3 LYS 75 - HG2 ARG 17 lone 1 49 - 1 - HB2 LYS 13 - HG3 ARG 54 lone 0 72 - 1 - HB3 LYS 75 - HG3 ARG 17 lone 1 47 - 1 - HB2 LYS 83 - HG3 ARG 54 lone 0 59 - 1 - HB2 LYS 85 - HG2 ARG 26 lone 0 55 - 1 - HB3 LYS 73 - HG2 ARG 26 lone 0 32 - 1 - HB2 LYS 13 - HG LEU 62 lone 0 34 - 1 - HB2 PRO 34 - HG LEU 62 lone 0 25 - 2 - HB2 ARG 69 - HG3 ARG 54 lone 0 81 - 0 - HB ILE 89 - HG3 ARG 70 lone 0 52 - 1 - HB2 LYS 83 - HG2 ARG 17 lone 0 40 - 1 - HB ILE 89 - HG2 ARG 26 lone 0 37 - 1 - HB2 ARG 69 - HG2 ARG 17 lone 0 58 - 1 - HB2 ARG 69 - HG2 ARG 26 lone 0 55 - 1 - HB2 LYS 83 - HG3 ARG 17 lone 0 39 - 1 - HB2 ARG 69 - HG3 ARG 17 lone 0 56 - 1 - HB ILE 89 - HG3 ARG 54 lone 0 59 - 1 - HB3 LYS 75 - HG LEU 62 lone 0 33 - 1 - HB3 LYS 39 - HG2 ARG 26 lone 0 39 - 1 - HB2 PRO 34 - HG3 ARG 70 lone 0 48 - 1 - HB2 PRO 34 - HG2 ARG 17 lone 0 37 - 1 - HB2 PRO 34 - HG3 ARG 17 lone 0 36 - 1 - HB ILE 89 - HG LEU 62 lone 0 27 - 1 - HB2 LYS 13 - HG2 ARG 17 lone 0 51 - 1 - HB2 LYS 13 - HG3 ARG 17 lone 0 49 - 1 - HB3 LYS 75 - HG2 ARG 26 lone 0 45 - 1 - HB2 LYS 13 - HG2 ARG 26 lone 0 47 - 0 - HB2 LYS 83 - HG2 ARG 26 lone 0 37 - 1 - HB2 LYS 83 - HG LEU 62 lone 0 27 - 1 - Peak 3395 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 5 out of 9 assignments used, quality = 1.00: * HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 86 + HG LEU 86 OK 69 69 - 100 HG3 ARG 54 + HG3 ARG 54 OK 66 66 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 HG2 ARG 17 - HG2 ARG 17 OK 34 34 - 100 HG3 ARG 17 - HG3 ARG 17 OK 31 31 - 100 HG2 ARG 26 - HG2 ARG 26 OK 28 28 - 100 HG LEU 62 - HG LEU 62 OK 21 21 - 100 Peak 3396 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 5 out of 9 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 86 + HG LEU 86 OK 69 69 - 100 HG3 ARG 54 + HG3 ARG 54 OK 66 66 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 HG2 ARG 17 - HG2 ARG 17 OK 34 34 - 100 HG3 ARG 17 - HG3 ARG 17 OK 31 31 - 100 HG2 ARG 26 - HG2 ARG 26 OK 28 28 - 100 HG LEU 62 - HG LEU 62 OK 21 21 - 100 Reference assignment not found: HG3 ARG 84 - HG2 ARG 84 Peak 3397 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 8 out of 117 assignments used, quality = 1.00: * HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 49 49 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 49 49 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 26 OK 29 29 - 100 - 3.0=100 HD3 ARG 26 - HG2 ARG 26 OK 28 28 - 100 - 3.0=100 HD2 ARG 71 - HG2 ARG 26 OK 13 52 - 26 - 3.0/2932=2, ~1394=2...(7) HD2 ARG 71 - HG2 ARG 17 OK 12 56 - 21 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 11 54 - 21 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 70 OK 11 70 - 15 - 6137/5.0=2, ~2869=1...(5) HD2 ARG 17 - HG3 ARG 84 lone 9 95 - 10 - HD2 ARG 17 - HG2 ARG 84 lone 9 95 - 10 - HD3 ARG 17 - HG3 ARG 84 lone 9 95 - 10 - HD3 ARG 17 - HG2 ARG 84 lone 9 95 - 10 - HD2 ARG 71 - HG3 ARG 84 lone 9 99 - 9 - HD2 ARG 71 - HG2 ARG 84 lone 9 99 - 9 - HD2 ARG 26 - HG2 ARG 17 poor 6 31 - 18 - 3.0/1394=1 HB2 PHE 48 - HG2 ARG 84 lone 5 76 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 84 lone 5 76 - 7 - 3.0/4464=1 HD2 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD3 ARG 17 - HG2 ARG 26 poor 5 47 - 11 - HD2 ARG 17 - HG2 ARG 26 poor 5 47 - 11 - HD3 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD2 ARG 26 - HG3 ARG 17 poor 5 30 - 18 - 3.0/1394=1 HD3 ARG 26 - HG2 ARG 17 poor 5 30 - 18 - 3.0/1394=1 HB2 PHE 48 - HG3 ARG 54 lone 5 55 - 10 - ~4466=2, 3.0/4464=2, ~2324=2 HD2 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 26 - HG3 ARG 17 poor 5 28 - 18 - 3.0/1394=1 HD3 ARG 27 - HG2 ARG 26 poor 5 36 - 14 - ~1394=1 HD2 ARG 27 - HG2 ARG 26 poor 5 36 - 14 - ~1394=1 HD2 ARG 27 - HG2 ARG 17 poor 4 39 - 11 - HD3 ARG 27 - HG2 ARG 17 poor 4 39 - 11 - HD3 ARG 27 - HG3 ARG 17 poor 4 37 - 11 - HD2 ARG 27 - HG3 ARG 17 poor 4 37 - 11 - HD2 ARG 26 - HG2 ARG 84 lone 4 65 - 6 - HD2 ARG 26 - HG3 ARG 84 lone 4 65 - 6 - HD2 ARG 23 - HG2 ARG 17 lone 4 45 - 9 - HD3 ARG 23 - HG2 ARG 17 lone 4 45 - 9 - HD3 ARG 26 - HG2 ARG 84 lone 4 63 - 6 - HD3 ARG 26 - HG3 ARG 84 lone 4 63 - 6 - HD2 ARG 23 - HG3 ARG 17 lone 4 43 - 9 - HD3 ARG 23 - HG3 ARG 17 lone 4 43 - 9 - HB2 PHE 48 - HG LEU 86 lone 3 46 - 7 - 3.0/4464=1 HD2 ARG 17 - HG LEU 86 lone 3 62 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 62 - 5 - HD2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD3 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD2 ARG 23 - HG2 ARG 84 lone 3 87 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 3 87 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 3 87 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 3 87 - 3 - HD2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 17 - HG3 ARG 70 lone 3 64 - 4 - HD2 ARG 17 - HG3 ARG 70 lone 3 64 - 4 - HB2 PHE 48 - HG LEU 62 lone 2 25 - 10 - ~4679=1, ~4467=1...(4) HD3 ARG 27 - HG3 ARG 84 lone 2 78 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 78 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 78 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 78 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 55 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 4 - HD2 ARG 71 - HG LEU 86 lone 2 68 - 3 - HD2 ARG 71 - HG LEU 62 lone 2 38 - 6 - HD2 ARG 26 - HG3 ARG 70 lone 2 40 - 5 - HD2 ARG 82 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 82 - HG3 ARG 84 lone 2 100 - 2 - HD2 ARG 82 - HG2 ARG 84 lone 2 100 - 2 - HD2 ARG 26 - HG LEU 62 lone 2 21 - 9 - ~5958=2 HD2 ARG 23 - HG2 ARG 26 lone 2 41 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 41 - 4 - HD2 ARG 26 - HG LEU 86 lone 2 39 - 5 - HD3 ARG 26 - HG3 ARG 70 lone 2 39 - 5 - HD2 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD3 ARG 26 - HG LEU 62 lone 2 20 - 9 - ~5958=2 HD3 ARG 26 - HG LEU 86 lone 2 37 - 4 - HB2 PHE 48 - HG3 ARG 70 lone 1 48 - 3 - HD3 ARG 27 - HG3 ARG 70 lone 1 50 - 2 - HD2 ARG 27 - HG3 ARG 70 lone 1 50 - 2 - HD2 ARG 23 - HG LEU 86 lone 1 55 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 55 - 2 - HD2 ARG 71 - HG3 ARG 54 lone 1 79 - 1 - HD2 ARG 27 - HG LEU 86 lone 1 48 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 48 - 2 - HD2 ARG 23 - HG3 ARG 54 lone 1 64 - 1 - HD3 ARG 23 - HG3 ARG 54 lone 1 64 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 34 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 34 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD3 ARG 23 - HG LEU 62 lone 1 30 - 2 - HD2 ARG 23 - HG LEU 62 lone 1 30 - 2 - HD2 ARG 82 - HG3 ARG 17 lone 1 56 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 1 73 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 57 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 57 - 1 - HD3 ARG 17 - HG3 ARG 54 lone 1 72 - 1 - HD2 ARG 17 - HG3 ARG 54 lone 1 72 - 1 - HD2 ARG 82 - HG LEU 86 lone 1 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 54 - 1 - HD2 ARG 26 - HG3 ARG 54 lone 0 46 - 1 - HD3 ARG 26 - HG3 ARG 54 lone 0 44 - 1 - HD3 ARG 27 - HG LEU 62 lone 0 26 - 2 - HD2 ARG 27 - HG LEU 62 lone 0 26 - 2 - HD2 ARG 27 - HG3 ARG 54 lone 0 57 - 1 - HD3 ARG 27 - HG3 ARG 54 lone 0 57 - 1 - HB2 PHE 48 - HG2 ARG 17 lone 0 37 - 1 - HB2 PHE 48 - HG3 ARG 17 lone 0 36 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 40 - 1 - HB2 PHE 48 - HG2 ARG 26 lone 0 35 - 1 - Peak 3398 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 8 out of 117 assignments used, quality = 1.00: HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 * HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 26 OK 32 32 - 100 - 3.0=100 HD3 ARG 26 - HG2 ARG 26 OK 30 30 - 100 - 3.0=100 HD2 ARG 71 - HG2 ARG 26 OK 13 51 - 26 - 3.0/2932=2, ~1394=2...(7) HD2 ARG 71 - HG2 ARG 17 OK 12 55 - 22 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 11 53 - 22 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 70 OK 10 69 - 15 - 6137/5.0=2, ~2869=1...(5) HD2 ARG 17 - HG3 ARG 84 lone 10 97 - 10 - HD2 ARG 17 - HG2 ARG 84 lone 10 97 - 10 - HD3 ARG 17 - HG3 ARG 84 lone 10 97 - 10 - HD3 ARG 17 - HG2 ARG 84 lone 10 97 - 10 - HD2 ARG 71 - HG2 ARG 84 lone 9 98 - 9 - HD2 ARG 71 - HG3 ARG 84 lone 9 98 - 9 - HD2 ARG 26 - HG2 ARG 17 poor 6 34 - 18 - 3.0/1394=1 HD2 ARG 26 - HG3 ARG 17 poor 6 33 - 18 - 3.0/1394=1 HD3 ARG 26 - HG2 ARG 17 poor 6 33 - 18 - 3.0/1394=1 HD3 ARG 26 - HG3 ARG 17 poor 6 31 - 18 - 3.0/1394=1 HD3 ARG 17 - HG2 ARG 26 poor 6 49 - 11 - HD2 ARG 17 - HG2 ARG 26 poor 6 49 - 11 - HD2 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD3 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD2 ARG 27 - HG2 ARG 26 poor 5 39 - 14 - ~1394=1 HD3 ARG 27 - HG2 ARG 26 poor 5 39 - 14 - ~1394=1 HD2 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HB2 PHE 48 - HG2 ARG 84 lone 5 71 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 84 lone 5 71 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 54 lone 5 50 - 10 - ~4466=2, 3.0/4464=2, ~2324=2 HD3 ARG 27 - HG2 ARG 17 poor 5 42 - 11 - HD2 ARG 27 - HG2 ARG 17 poor 5 42 - 11 - HD2 ARG 27 - HG3 ARG 17 poor 4 40 - 11 - HD3 ARG 27 - HG3 ARG 17 poor 4 40 - 11 - HD2 ARG 26 - HG2 ARG 84 lone 4 71 - 6 - HD2 ARG 26 - HG3 ARG 84 lone 4 71 - 6 - HD2 ARG 23 - HG2 ARG 17 lone 4 47 - 9 - HD3 ARG 23 - HG2 ARG 17 lone 4 47 - 9 - HD3 ARG 26 - HG2 ARG 84 lone 4 68 - 6 - HD3 ARG 26 - HG3 ARG 84 lone 4 68 - 6 - HD3 ARG 23 - HG3 ARG 17 lone 4 45 - 9 - HD2 ARG 23 - HG3 ARG 17 lone 4 45 - 9 - HD3 ARG 17 - HG LEU 86 lone 3 65 - 5 - HD2 ARG 17 - HG LEU 86 lone 3 65 - 5 - HD3 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD3 ARG 23 - HG3 ARG 84 lone 3 90 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 3 90 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 3 90 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 3 90 - 3 - HB2 PHE 48 - HG LEU 86 lone 3 43 - 7 - 3.0/4464=1 HD3 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 17 - HG3 ARG 70 lone 3 67 - 4 - HD2 ARG 17 - HG3 ARG 70 lone 3 67 - 4 - HD3 ARG 27 - HG3 ARG 84 lone 2 83 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 83 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 83 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 83 - 3 - HD2 ARG 26 - HG3 ARG 70 lone 2 44 - 5 - HD2 ARG 84 - HG2 ARG 26 lone 2 54 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 55 - 4 - HB2 PHE 48 - HG LEU 62 lone 2 23 - 10 - ~4679=1, ~4467=1...(4) HD2 ARG 71 - HG LEU 86 lone 2 67 - 3 - HD2 ARG 26 - HG LEU 62 lone 2 23 - 9 - ~5958=2 HD2 ARG 71 - HG LEU 62 lone 2 37 - 6 - HD2 ARG 26 - HG LEU 86 lone 2 43 - 5 - HD2 ARG 82 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 26 - HG3 ARG 70 lone 2 42 - 5 - HD3 ARG 23 - HG2 ARG 26 lone 2 44 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 44 - 4 - HD2 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 82 - HG3 ARG 84 lone 2 100 - 2 - HD2 ARG 82 - HG2 ARG 84 lone 2 100 - 2 - HD3 ARG 26 - HG LEU 62 lone 2 22 - 9 - ~5958=2 HD3 ARG 26 - HG LEU 86 lone 2 41 - 4 - HD3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD2 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD2 ARG 27 - HG3 ARG 70 lone 1 53 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 1 53 - 2 - HB2 PHE 48 - HG3 ARG 70 lone 1 44 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 58 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 58 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 52 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 52 - 2 - HD2 ARG 71 - HG3 ARG 54 lone 1 77 - 1 - HD3 ARG 23 - HG3 ARG 54 lone 1 68 - 1 - HD2 ARG 23 - HG3 ARG 54 lone 1 68 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 36 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 36 - 2 - HD3 ARG 23 - HG LEU 62 lone 1 32 - 2 - HD2 ARG 23 - HG LEU 62 lone 1 32 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 56 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 1 73 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 60 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 60 - 1 - HD3 ARG 17 - HG3 ARG 54 lone 1 75 - 1 - HD2 ARG 17 - HG3 ARG 54 lone 1 75 - 1 - HD2 ARG 82 - HG LEU 86 lone 1 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 54 - 1 - HD2 ARG 26 - HG3 ARG 54 lone 0 50 - 1 - HD3 ARG 26 - HG3 ARG 54 lone 0 48 - 1 - HD2 ARG 27 - HG LEU 62 lone 0 28 - 2 - HD3 ARG 27 - HG LEU 62 lone 0 28 - 2 - HD3 ARG 27 - HG3 ARG 54 lone 0 60 - 1 - HD2 ARG 27 - HG3 ARG 54 lone 0 60 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 40 - 1 - HB2 PHE 48 - HG2 ARG 17 lone 0 34 - 1 - HB2 PHE 48 - HG3 ARG 17 lone 0 33 - 1 - HB2 PHE 48 - HG2 ARG 26 lone 0 32 - 1 - Peak 3400 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.93 A): 2 out of 81 assignments used, quality = 1.00: * HA ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.9=100 HA ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.9=100 HA LEU 29 - HG LEU 86 OK 33 44 - 74 - ~1488=7, ~1489=6...(41) HA LYS 73 - HG2 ARG 84 OK 32 99 - 32 - 3376/3.0=4, 3384/3.0=4...(9) HA LYS 73 - HG3 ARG 84 OK 32 99 - 32 - 3376/3.0=4, 3384/3.0=4...(9) HA ALA 53 - HG3 ARG 54 OK 31 59 - 53 - ~5949=13, 4560/4.8=10...(9) HA ARG 82 - HG3 ARG 54 OK 30 78 - 39 - ~5478=4, 5886/3.0=4...(16) HA LEU 29 - HG2 ARG 84 OK 27 73 - 36 - 3376/3.0=3, 3.0/547=3...(17) HA LEU 29 - HG3 ARG 84 OK 27 73 - 36 - 3376/3.0=3, 3.0/547=3...(17) HA ILE 89 - HG3 ARG 84 OK 22 92 - 24 - 3599/3.0=4, 3376/3.0=3...(9) HA ILE 89 - HG2 ARG 84 OK 22 92 - 24 - 3599/3.0=4, 3376/3.0=3...(9) HA ILE 89 - HG LEU 86 OK 21 60 - 36 - 3600/2.1=6, 4038/5.3=4...(14) HA ARG 84 - HG2 ARG 17 OK 16 58 - 28 - 3376/2.9=2, 5888/3.0=1 HA LEU 29 - HG LEU 62 OK 16 24 - 69 - ~1488=6, ~549=5...(39) HA ARG 82 - HG3 ARG 84 OK 16 99 - 16 - 3.6/5896=4, 3376/3.0=2...(4) HA ARG 82 - HG2 ARG 84 OK 16 99 - 16 - 3.6/5896=4, 3376/3.0=2...(4) HA ARG 84 - HG3 ARG 17 OK 16 56 - 28 - 3376/2.9=2, 5888/3.0=1 HA LYS 73 - HG LEU 86 OK 11 69 - 15 - 1481/2.1=1 HA LYS 73 - HG3 ARG 54 poor 9 79 - 12 - 208/4.9=2, 4582/4.8=2 HA LEU 29 - HG3 ARG 70 poor 8 46 - 18 - ~2864=3, ~546=3...(4) HA LYS 73 - HG LEU 62 poor 8 39 - 20 - ~5263=2, ~3910=2...(5) HA LYS 73 - HG3 ARG 70 poor 8 71 - 11 - 4008/5.0=2, 3.0/792=2 HA ARG 84 - HG3 ARG 70 poor 7 73 - 10 - 4008/5.0=1, 6038/4.9=1 HA ARG 84 - HG LEU 86 poor 7 71 - 10 - HA LYS 73 - HG2 ARG 17 poor 6 57 - 10 - HA LEU 29 - HG3 ARG 54 poor 6 52 - 11 - 4582/4.8=2, 208/4.9=1, 3.6/82=1 HA LYS 73 - HG3 ARG 17 poor 6 54 - 10 - HA ALA 53 - HG2 ARG 84 lone 6 81 - 7 - HA ALA 53 - HG3 ARG 84 lone 6 81 - 7 - HA ARG 84 - HG2 ARG 26 lone 5 55 - 10 - HB THR 15 - HG2 ARG 84 lone 5 89 - 6 - 1132/5.0=2, 3376/3.0=1 HB THR 15 - HG3 ARG 84 lone 5 89 - 6 - 1132/5.0=2, 3376/3.0=1 HA GLN 79 - HG3 ARG 84 lone 5 95 - 5 - 5445/5.0=1 HA GLN 79 - HG2 ARG 84 lone 5 95 - 5 - 5445/5.0=1 HA ARG 84 - HG3 ARG 54 lone 5 81 - 6 - HA ILE 89 - HG2 ARG 17 lone 5 49 - 10 - 3599/2.9=1, ~877=1 HA ILE 89 - HG3 ARG 17 lone 5 47 - 10 - 3599/2.9=1, ~877=1 HA ARG 84 - HG LEU 62 poor 4 40 - 10 - HA GLN 79 - HG3 ARG 70 lone 4 64 - 6 - HA ARG 82 - HG3 ARG 70 lone 4 70 - 5 - HA ARG 82 - HG2 ARG 17 lone 4 56 - 6 - HA ARG 82 - HG3 ARG 17 lone 4 53 - 6 - HA ALA 78 - HG3 ARG 54 lone 3 57 - 6 - 5862/3.0=2, 5862/3.0=2 HA ARG 82 - HG LEU 86 lone 3 67 - 4 - HA LYS 73 - HG2 ARG 26 lone 3 53 - 6 - HA GLN 79 - HG3 ARG 54 lone 3 72 - 4 - HA ALA 53 - HG LEU 86 lone 3 50 - 5 - HA ALA 53 - HG LEU 62 lone 3 27 - 10 - 3.6/679=2, 4.8/2304=2...(4) HA ALA 78 - HG3 ARG 84 lone 2 78 - 3 - HA ALA 78 - HG2 ARG 84 lone 2 78 - 3 - HA LEU 29 - HG2 ARG 26 lone 2 33 - 7 - 3963/4.9=1 HA ILE 89 - HG3 ARG 54 lone 2 69 - 3 - HA ARG 82 - HG2 ARG 26 lone 2 52 - 4 - HA LEU 29 - HG2 ARG 17 lone 2 36 - 5 - HA ILE 89 - HG2 ARG 26 lone 2 45 - 4 - HA LEU 29 - HG3 ARG 17 lone 2 34 - 5 - HA ARG 82 - HG LEU 62 lone 2 38 - 5 - HB THR 15 - HG3 ARG 54 lone 2 66 - 2 - HA ILE 89 - HG3 ARG 70 lone 2 62 - 2 - HB THR 15 - HG LEU 86 lone 1 57 - 2 - HA ILE 89 - HG LEU 62 lone 1 33 - 4 - HA GLN 79 - HG LEU 86 lone 1 62 - 2 - HA ALA 53 - HG3 ARG 70 lone 1 52 - 2 - HA GLN 79 - HG2 ARG 17 lone 1 51 - 2 - HA GLN 79 - HG2 ARG 26 lone 1 47 - 3 - HA GLN 79 - HG3 ARG 17 lone 1 49 - 2 - HB THR 15 - HG2 ARG 17 lone 1 46 - 2 - HB THR 15 - HG3 ARG 17 lone 1 44 - 2 - HA ALA 53 - HG2 ARG 17 lone 1 40 - 3 - HA ALA 78 - HG LEU 86 lone 1 48 - 2 - HA ALA 78 - HG LEU 62 lone 1 26 - 4 - ~5962=1 HA ALA 53 - HG3 ARG 17 lone 1 39 - 3 - HB THR 15 - HG3 ARG 70 lone 1 59 - 2 - HB THR 15 - HG2 ARG 26 lone 1 43 - 2 - HA ALA 78 - HG2 ARG 26 lone 1 36 - 2 - HB THR 15 - HG LEU 62 lone 1 31 - 3 - HA ALA 78 - HG3 ARG 70 lone 1 50 - 2 - HA ALA 53 - HG2 ARG 26 lone 1 37 - 2 - HA GLN 79 - HG LEU 62 lone 1 34 - 2 - HA ALA 78 - HG2 ARG 17 lone 1 39 - 2 - HA ALA 78 - HG3 ARG 17 lone 1 37 - 2 - Peak 3401 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 3 out of 99 assignments used, quality = 0.96: * HB2 ARG 84 + HG3 ARG 84 OK 70 100 - 71 - 3.0=59, 3380/1.8=6...(11) HB2 ARG 84 + HG2 ARG 84 OK 70 100 - 71 - 3.0=59, 3380/1.8=6...(11) HG2 ARG 70 + HG3 ARG 70 OK 57 57 - 100 - 1.8=100 HG3 ARG 26 - HG2 ARG 26 OK 36 36 - 100 - 1.8=100 HB3 ARG 17 - HG2 ARG 17 OK 32 46 - 71 - 2.9=59, 1167/1.8=5...(11) HB3 ARG 17 - HG3 ARG 17 OK 31 44 - 71 - 2.9=59, 1167/1.8=5...(11) HB2 LEU 29 - HG LEU 86 OK 25 66 - 38 - 1486=5, 1488/2.1=4...(10) HB2 LEU 62 - HG LEU 62 OK 20 28 - 70 - 3.0=58, 2571/5.0=3...(13) HB2 LEU 29 - HG2 ARG 84 OK 14 97 - 14 - 1486=2, 1486/1.8=1, 3385/3.0=1 HB2 LEU 29 - HG3 ARG 84 OK 14 97 - 14 - 1486=2, 1486/1.8=1, 3385/3.0=1 HB2 LEU 62 - HG LEU 86 OK 12 52 - 24 - 2574=3, 2577/2.1=2...(4) HB2 LEU 29 - HG LEU 62 OK 12 36 - 32 - 1486=4, 1488/2.1=3...(9) HB2 LEU 62 - HG3 ARG 54 poor 9 60 - 15 - 2574=2, ~2328=1...(4) HB3 LYS 85 - HG3 ARG 84 lone 8 100 - 8 - 3385/3.0=1, 6062/3.9=1 HB3 LYS 85 - HG2 ARG 84 lone 8 100 - 8 - 3385/3.0=1, 6062/3.9=1 HG3 ARG 71 - HG2 ARG 26 poor 7 32 - 22 - ~1394=2, 2932=2, 2929/3.7=2 HB3 LYS 83 - HG3 ARG 84 lone 6 98 - 6 - 842/5.0=1, 3385/3.0=1 HB3 LYS 83 - HG2 ARG 84 lone 6 98 - 6 - 842/5.0=1, 3385/3.0=1 HG3 ARG 71 - HG2 ARG 17 poor 6 34 - 17 - 2932/1.8=2, 2932=2, 1149/4.0=1 HB3 ARG 17 - HG3 ARG 84 lone 6 89 - 6 - HB3 ARG 17 - HG2 ARG 84 lone 6 89 - 6 - HG3 ARG 71 - HG3 ARG 17 poor 6 33 - 17 - 2932/1.8=2, 2932=2, 1149/4.0=1 HB2 LEU 43 - HG LEU 62 poor 5 40 - 13 - 2015/2.1=1, 3.1/5214=1 HG3 ARG 71 - HG3 ARG 70 poor 5 44 - 11 - 2928/5.0=2, ~2869=1, 2932=1 HG2 ARG 70 - HG3 ARG 84 lone 5 87 - 5 - HG2 ARG 70 - HG2 ARG 84 lone 5 87 - 5 - HG3 ARG 71 - HG3 ARG 84 lone 5 71 - 6 - HG3 ARG 71 - HG2 ARG 84 lone 5 71 - 6 - HB2 LEU 43 - HG LEU 86 lone 4 71 - 6 - HB2 LEU 62 - HG3 ARG 84 lone 4 83 - 5 - HB2 LEU 62 - HG2 ARG 84 lone 4 83 - 5 - HG3 ARG 26 - HG2 ARG 17 lone 4 39 - 10 - 1394/1.8=1, 1394=1 HB2 LEU 29 - HG3 ARG 70 lone 4 68 - 5 - HG3 ARG 26 - HG3 ARG 17 lone 4 37 - 10 - 1394/1.8=1, 1394=1 HG2 ARG 70 - HG LEU 86 lone 4 55 - 6 - 2869=1 HB2 ARG 84 - HG2 ARG 17 lone 4 58 - 6 - HB2 ARG 84 - HG3 ARG 17 lone 3 56 - 6 - HB3 LYS 85 - HG LEU 86 lone 3 70 - 5 - 387/5.3=2 HB3 LEU 64 - HG3 ARG 70 lone 3 37 - 9 - HB3 ARG 17 - HG2 ARG 26 lone 3 43 - 7 - HB2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HB2 LEU 43 - HG3 ARG 84 lone 3 100 - 3 - HB2 LEU 43 - HG2 ARG 84 lone 3 100 - 3 - HB3 LEU 64 - HG LEU 86 lone 3 35 - 8 - HB2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HB3 ARG 17 - HG LEU 86 lone 3 57 - 5 - HB2 LEU 43 - HG3 ARG 54 lone 2 81 - 3 - HG3 ARG 26 - HG3 ARG 84 lone 2 78 - 3 - HG3 ARG 26 - HG2 ARG 84 lone 2 78 - 3 - HB3 LYS 85 - HG3 ARG 70 lone 2 72 - 3 - HG2 ARG 70 - HG2 ARG 26 lone 2 41 - 5 - 2869=1 HG3 ARG 26 - HG3 ARG 70 lone 2 50 - 4 - HG2 ARG 70 - HG2 ARG 17 lone 2 45 - 4 - HG2 ARG 70 - HG3 ARG 17 lone 2 43 - 4 - HB2 LEU 62 - HG3 ARG 70 lone 2 53 - 3 - HB2 LEU 43 - HG3 ARG 70 lone 2 73 - 2 - HB2 LEU 29 - HG3 ARG 54 lone 2 76 - 2 - HB2 LEU 29 - HG2 ARG 26 lone 2 50 - 3 - 5348/3.7=1 HB2 LEU 62 - HG2 ARG 26 lone 2 39 - 4 - HB3 LEU 64 - HG2 ARG 17 lone 2 28 - 5 - HB3 LEU 64 - HG3 ARG 17 lone 1 27 - 5 - HB2 ARG 84 - HG LEU 62 lone 1 40 - 3 - HG3 ARG 26 - HG LEU 86 lone 1 48 - 2 - HB3 LYS 83 - HG LEU 86 lone 1 67 - 2 - HB2 ARG 84 - HG2 ARG 26 lone 1 55 - 2 - HG3 ARG 26 - HG LEU 62 lone 1 26 - 4 - HB2 ARG 84 - HG3 ARG 54 lone 1 81 - 1 - HB3 LEU 64 - HG LEU 62 lone 1 19 - 6 - HB3 ARG 17 - HG3 ARG 70 lone 1 59 - 2 - HB3 LYS 83 - HG3 ARG 70 lone 1 69 - 1 - HG3 ARG 71 - HG LEU 86 lone 1 43 - 2 - HB3 LYS 85 - HG2 ARG 17 lone 1 58 - 2 - HG2 ARG 70 - HG LEU 62 lone 1 30 - 3 - HB3 LYS 85 - HG3 ARG 17 lone 1 55 - 2 - HB2 LEU 62 - HG2 ARG 17 lone 1 42 - 2 - HB2 LEU 29 - HG2 ARG 17 lone 1 54 - 2 - HB2 LEU 62 - HG3 ARG 17 lone 1 40 - 2 - HB2 LEU 29 - HG3 ARG 17 lone 1 52 - 2 - HG3 ARG 71 - HG LEU 62 lone 1 23 - 4 - HB3 LEU 64 - HG3 ARG 54 lone 1 42 - 2 - HB3 LEU 64 - HG2 ARG 84 lone 1 60 - 1 - HB3 LEU 64 - HG3 ARG 84 lone 1 60 - 1 - HB3 LYS 85 - HG LEU 62 lone 1 39 - 2 - HB2 LEU 43 - HG2 ARG 26 lone 1 54 - 1 - HB3 LYS 83 - HG3 ARG 54 lone 1 77 - 1 - HG2 ARG 70 - HG3 ARG 54 lone 1 64 - 1 - HB3 ARG 17 - HG LEU 62 lone 1 31 - 2 - HB2 LEU 43 - HG2 ARG 17 lone 0 58 - 1 - HB3 LYS 83 - HG2 ARG 17 lone 0 55 - 1 - HB2 LEU 43 - HG3 ARG 17 lone 0 56 - 1 - HB3 LYS 83 - HG3 ARG 17 lone 0 53 - 1 - HB3 LYS 85 - HG3 ARG 54 lone 0 80 - 0 - HB3 LYS 85 - HG2 ARG 26 lone 0 54 - 1 - HG3 ARG 71 - HG3 ARG 54 lone 0 50 - 1 - HB3 LEU 64 - HG2 ARG 26 lone 0 26 - 1 - HB3 ARG 17 - HG3 ARG 54 lone 0 66 - 0 - HB3 LYS 83 - HG LEU 62 lone 0 37 - 1 - HB3 LYS 83 - HG2 ARG 26 lone 0 51 - 1 - HG3 ARG 26 - HG3 ARG 54 lone 0 57 - 0 - Peak 3402 from cnoeabs.peaks (1.80, 1.59, 27.31 ppm; 2.75 A): 2 out of 117 assignments used, quality = 0.99: HB3 ARG 84 + HG2 ARG 84 OK 89 100 - 89 - 3.0=81, 1.8/3380=7...(11) * HB3 ARG 84 + HG3 ARG 84 OK 89 100 - 89 - 3.0=81, 1.8/3380=7...(11) HB2 LYS 85 - HG3 ARG 84 OK 10 100 - 10 - 3378/3.0=2 HB2 LYS 85 - HG2 ARG 84 OK 10 100 - 10 - 3378/3.0=2 HB2 LYS 73 - HG3 ARG 84 OK 10 83 - 13 - 3378/3.0=1 HB2 LYS 73 - HG2 ARG 84 OK 10 83 - 13 - 3378/3.0=1 HB3 LYS 32 - HG3 ARG 54 poor 10 42 - 23 - ~2325=2, ~1558=2...(6) HB2 LYS 32 - HG3 ARG 54 poor 10 42 - 23 - ~2325=2, ~1558=2...(6) HB3 LYS 39 - HG3 ARG 54 poor 9 60 - 16 - 2.9/1869=2, 2.9/1879=1...(5) HB ILE 89 - HG LEU 86 poor 9 50 - 18 - 3607/2.1=2, ~4840=2...(5) HB3 LYS 73 - HG3 ARG 84 poor 8 71 - 12 - 3378/3.0=1 HB3 LYS 73 - HG2 ARG 84 poor 8 71 - 12 - 3378/3.0=1 HB ILE 89 - HG3 ARG 84 lone 6 81 - 8 - 3605/3.9=1 HB ILE 89 - HG2 ARG 84 lone 6 81 - 8 - 3605/3.9=1 HB3 LYS 39 - HG LEU 86 poor 6 52 - 13 - ~5111=1, ~5206=1, 2.9/1869=1 HB2 LYS 83 - HG3 ARG 84 lone 6 81 - 7 - 4.3/844=1 HB2 LYS 83 - HG2 ARG 84 lone 6 81 - 7 - 4.3/844=1 HB3 LYS 39 - HG2 ARG 84 lone 5 83 - 6 - HB3 LYS 39 - HG3 ARG 84 lone 5 83 - 6 - HB3 ARG 84 - HG2 ARG 17 lone 5 58 - 8 - HB3 ARG 84 - HG3 ARG 17 lone 4 56 - 8 - HB2 PRO 34 - HG3 ARG 54 lone 4 55 - 8 - HB2 ARG 69 - HG3 ARG 70 lone 4 73 - 5 - 3941/4.9=3, 5984/4.0=2 HB3 LYS 32 - HG3 ARG 84 lone 4 60 - 6 - HB3 LYS 32 - HG2 ARG 84 lone 4 60 - 6 - HB2 LYS 32 - HG2 ARG 84 lone 4 60 - 6 - HB2 LYS 32 - HG3 ARG 84 lone 4 60 - 6 - HB2 LYS 85 - HG LEU 86 lone 4 71 - 5 - 386/5.3=2 HB3 ARG 84 - HG3 ARG 70 lone 4 73 - 5 - HB3 ARG 84 - HG LEU 86 lone 3 71 - 5 - HB2 PRO 34 - HG2 ARG 26 lone 3 35 - 9 - HB2 LYS 85 - HG3 ARG 70 lone 3 73 - 4 - HB3 LYS 75 - HG3 ARG 84 lone 3 92 - 3 - HB3 LYS 75 - HG2 ARG 84 lone 3 92 - 3 - HB2 LYS 73 - HG LEU 86 lone 3 52 - 5 - HB2 LYS 73 - HG3 ARG 70 lone 3 53 - 5 - 5061/4.0=2 HB3 LYS 32 - HG3 ARG 70 lone 3 37 - 7 - HB2 LYS 32 - HG3 ARG 70 lone 3 37 - 7 - HB3 LYS 75 - HG3 ARG 70 lone 2 62 - 4 - 5984/4.0=1 HB3 LYS 73 - HG LEU 86 lone 2 43 - 5 - HB2 ARG 69 - HG2 ARG 84 lone 2 100 - 2 - HB2 ARG 69 - HG3 ARG 84 lone 2 100 - 2 - HB3 LYS 73 - HG3 ARG 70 lone 2 44 - 4 - 5984/4.0=1 HB3 LYS 39 - HG LEU 62 lone 2 28 - 7 - HB3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HB3 ARG 84 - HG2 ARG 26 lone 2 55 - 3 - HB2 LYS 13 - HG3 ARG 84 lone 2 95 - 2 - HB2 LYS 13 - HG2 ARG 84 lone 2 95 - 2 - HB2 LYS 73 - HG3 ARG 54 lone 2 60 - 2 - HB2 PRO 34 - HG2 ARG 84 lone 1 76 - 2 - HB2 PRO 34 - HG3 ARG 84 lone 1 76 - 2 - HB2 PRO 34 - HG LEU 86 lone 1 46 - 3 - HB2 LYS 73 - HG2 ARG 17 lone 1 42 - 3 - HB2 LYS 73 - HG LEU 62 lone 1 28 - 5 - HB3 LYS 75 - HG LEU 86 lone 1 60 - 2 - HB2 ARG 69 - HG LEU 62 lone 1 40 - 3 - HB2 LYS 73 - HG3 ARG 17 lone 1 40 - 3 - HB3 ARG 84 - HG3 ARG 54 lone 1 81 - 1 - HB2 LYS 13 - HG LEU 86 lone 1 62 - 2 - HB2 LYS 85 - HG2 ARG 17 lone 1 58 - 2 - HB3 LYS 73 - HG2 ARG 17 lone 1 34 - 3 - HB2 ARG 69 - HG LEU 86 lone 1 71 - 2 - HB2 LYS 32 - HG2 ARG 17 lone 1 28 - 4 - HB3 LYS 32 - HG2 ARG 17 lone 1 28 - 4 - HB2 LYS 85 - HG3 ARG 17 lone 1 56 - 2 - HB3 LYS 73 - HG3 ARG 17 lone 1 33 - 3 - HB3 LYS 32 - HG3 ARG 17 lone 1 27 - 4 - HB2 LYS 32 - HG3 ARG 17 lone 1 27 - 4 - HB3 LYS 75 - HG3 ARG 54 lone 1 69 - 1 - HB3 LYS 73 - HG LEU 62 lone 1 23 - 4 - HB3 LYS 32 - HG LEU 86 lone 1 35 - 3 - HB2 LYS 32 - HG LEU 86 lone 1 35 - 3 - HB ILE 89 - HG2 ARG 17 lone 1 40 - 2 - HB ILE 89 - HG3 ARG 17 lone 1 39 - 2 - HB2 LYS 13 - HG3 ARG 70 lone 1 64 - 1 - HB2 LYS 83 - HG3 ARG 70 lone 1 52 - 2 - HB3 LYS 73 - HG3 ARG 54 lone 1 50 - 2 - HB3 LYS 32 - HG2 ARG 26 lone 1 26 - 3 - HB2 LYS 32 - HG2 ARG 26 lone 1 26 - 3 - HB3 LYS 39 - HG2 ARG 17 lone 1 42 - 2 - HB2 LYS 83 - HG LEU 86 lone 1 50 - 2 - HB3 LYS 39 - HG3 ARG 17 lone 1 40 - 2 - HB3 LYS 39 - HG3 ARG 70 lone 1 53 - 1 - HB2 LYS 85 - HG LEU 62 lone 1 40 - 2 - HB2 LYS 32 - HG LEU 62 lone 1 19 - 3 - HB3 LYS 32 - HG LEU 62 lone 1 19 - 3 - HB2 LYS 85 - HG3 ARG 54 lone 1 81 - 1 - HB2 LYS 73 - HG2 ARG 26 lone 1 39 - 1 - HB3 LYS 75 - HG2 ARG 17 lone 1 49 - 1 - HB2 LYS 13 - HG3 ARG 54 lone 0 72 - 1 - HB3 LYS 75 - HG3 ARG 17 lone 1 47 - 1 - HB2 LYS 83 - HG3 ARG 54 lone 0 59 - 1 - HB2 LYS 85 - HG2 ARG 26 lone 0 55 - 1 - HB3 LYS 73 - HG2 ARG 26 lone 0 32 - 1 - HB2 LYS 13 - HG LEU 62 lone 0 34 - 1 - HB2 PRO 34 - HG LEU 62 lone 0 25 - 2 - HB2 ARG 69 - HG3 ARG 54 lone 0 81 - 0 - HB ILE 89 - HG3 ARG 70 lone 0 52 - 1 - HB2 LYS 83 - HG2 ARG 17 lone 0 40 - 1 - HB ILE 89 - HG2 ARG 26 lone 0 37 - 1 - HB2 ARG 69 - HG2 ARG 17 lone 0 58 - 1 - HB2 ARG 69 - HG2 ARG 26 lone 0 55 - 1 - HB2 LYS 83 - HG3 ARG 17 lone 0 39 - 1 - HB2 ARG 69 - HG3 ARG 17 lone 0 56 - 1 - HB ILE 89 - HG3 ARG 54 lone 0 59 - 1 - HB3 LYS 75 - HG LEU 62 lone 0 33 - 1 - HB3 LYS 39 - HG2 ARG 26 lone 0 39 - 1 - HB2 PRO 34 - HG3 ARG 70 lone 0 48 - 1 - HB2 PRO 34 - HG2 ARG 17 lone 0 37 - 1 - HB2 PRO 34 - HG3 ARG 17 lone 0 36 - 1 - HB ILE 89 - HG LEU 62 lone 0 27 - 1 - HB2 LYS 13 - HG2 ARG 17 lone 0 51 - 1 - HB2 LYS 13 - HG3 ARG 17 lone 0 49 - 1 - HB3 LYS 75 - HG2 ARG 26 lone 0 45 - 1 - HB2 LYS 13 - HG2 ARG 26 lone 0 47 - 0 - HB2 LYS 83 - HG2 ARG 26 lone 0 37 - 1 - HB2 LYS 83 - HG LEU 62 lone 0 27 - 1 - Peak 3403 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 5 out of 9 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 86 + HG LEU 86 OK 69 69 - 100 HG3 ARG 54 + HG3 ARG 54 OK 66 66 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 HG2 ARG 17 - HG2 ARG 17 OK 34 34 - 100 HG3 ARG 17 - HG3 ARG 17 OK 31 31 - 100 HG2 ARG 26 - HG2 ARG 26 OK 28 28 - 100 HG LEU 62 - HG LEU 62 OK 21 21 - 100 Reference assignment not found: HG2 ARG 84 - HG3 ARG 84 Peak 3404 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 5 out of 9 assignments used, quality = 1.00: HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 * HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG LEU 86 + HG LEU 86 OK 69 69 - 100 HG3 ARG 54 + HG3 ARG 54 OK 66 66 - 100 HG3 ARG 70 + HG3 ARG 70 OK 55 55 - 100 HG2 ARG 17 - HG2 ARG 17 OK 34 34 - 100 HG3 ARG 17 - HG3 ARG 17 OK 31 31 - 100 HG2 ARG 26 - HG2 ARG 26 OK 28 28 - 100 HG LEU 62 - HG LEU 62 OK 21 21 - 100 Peak 3405 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 8 out of 117 assignments used, quality = 1.00: HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 * HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 49 49 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 49 49 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 26 OK 29 29 - 100 - 3.0=100 HD3 ARG 26 - HG2 ARG 26 OK 28 28 - 100 - 3.0=100 HD2 ARG 71 - HG2 ARG 26 OK 13 52 - 26 - 3.0/2932=2, ~1394=2...(7) HD2 ARG 71 - HG2 ARG 17 OK 12 56 - 21 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 11 54 - 21 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 70 OK 11 70 - 15 - 6137/5.0=2, ~2869=1...(5) HD2 ARG 17 - HG3 ARG 84 lone 9 95 - 10 - HD2 ARG 17 - HG2 ARG 84 lone 9 95 - 10 - HD3 ARG 17 - HG3 ARG 84 lone 9 95 - 10 - HD3 ARG 17 - HG2 ARG 84 lone 9 95 - 10 - HD2 ARG 71 - HG3 ARG 84 lone 9 99 - 9 - HD2 ARG 71 - HG2 ARG 84 lone 9 99 - 9 - HD2 ARG 26 - HG2 ARG 17 poor 6 31 - 18 - 3.0/1394=1 HB2 PHE 48 - HG2 ARG 84 lone 5 76 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 84 lone 5 76 - 7 - 3.0/4464=1 HD2 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD3 ARG 17 - HG2 ARG 26 poor 5 47 - 11 - HD2 ARG 17 - HG2 ARG 26 poor 5 47 - 11 - HD3 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD2 ARG 26 - HG3 ARG 17 poor 5 30 - 18 - 3.0/1394=1 HD3 ARG 26 - HG2 ARG 17 poor 5 30 - 18 - 3.0/1394=1 HB2 PHE 48 - HG3 ARG 54 lone 5 55 - 10 - ~4466=2, 3.0/4464=2, ~2324=2 HD2 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 26 - HG3 ARG 17 poor 5 28 - 18 - 3.0/1394=1 HD3 ARG 27 - HG2 ARG 26 poor 5 36 - 14 - ~1394=1 HD2 ARG 27 - HG2 ARG 26 poor 5 36 - 14 - ~1394=1 HD2 ARG 27 - HG2 ARG 17 poor 4 39 - 11 - HD3 ARG 27 - HG2 ARG 17 poor 4 39 - 11 - HD3 ARG 27 - HG3 ARG 17 poor 4 37 - 11 - HD2 ARG 27 - HG3 ARG 17 poor 4 37 - 11 - HD2 ARG 26 - HG2 ARG 84 lone 4 65 - 6 - HD2 ARG 26 - HG3 ARG 84 lone 4 65 - 6 - HD2 ARG 23 - HG2 ARG 17 lone 4 45 - 9 - HD3 ARG 23 - HG2 ARG 17 lone 4 45 - 9 - HD3 ARG 26 - HG2 ARG 84 lone 4 63 - 6 - HD3 ARG 26 - HG3 ARG 84 lone 4 63 - 6 - HD2 ARG 23 - HG3 ARG 17 lone 4 43 - 9 - HD3 ARG 23 - HG3 ARG 17 lone 4 43 - 9 - HB2 PHE 48 - HG LEU 86 lone 3 46 - 7 - 3.0/4464=1 HD2 ARG 17 - HG LEU 86 lone 3 62 - 5 - HD3 ARG 17 - HG LEU 86 lone 3 62 - 5 - HD2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD3 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD2 ARG 23 - HG2 ARG 84 lone 3 87 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 3 87 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 3 87 - 3 - HD3 ARG 23 - HG3 ARG 84 lone 3 87 - 3 - HD2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 17 - HG3 ARG 70 lone 3 64 - 4 - HD2 ARG 17 - HG3 ARG 70 lone 3 64 - 4 - HB2 PHE 48 - HG LEU 62 lone 2 25 - 10 - ~4679=1, ~4467=1...(4) HD3 ARG 27 - HG3 ARG 84 lone 2 78 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 78 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 78 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 78 - 3 - HD2 ARG 84 - HG2 ARG 26 lone 2 55 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 54 - 4 - HD2 ARG 71 - HG LEU 86 lone 2 68 - 3 - HD2 ARG 71 - HG LEU 62 lone 2 38 - 6 - HD2 ARG 26 - HG3 ARG 70 lone 2 40 - 5 - HD2 ARG 82 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 82 - HG3 ARG 84 lone 2 100 - 2 - HD2 ARG 82 - HG2 ARG 84 lone 2 100 - 2 - HD2 ARG 26 - HG LEU 62 lone 2 21 - 9 - ~5958=2 HD2 ARG 23 - HG2 ARG 26 lone 2 41 - 4 - HD3 ARG 23 - HG2 ARG 26 lone 2 41 - 4 - HD2 ARG 26 - HG LEU 86 lone 2 39 - 5 - HD3 ARG 26 - HG3 ARG 70 lone 2 39 - 5 - HD2 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD3 ARG 26 - HG LEU 62 lone 2 20 - 9 - ~5958=2 HD3 ARG 26 - HG LEU 86 lone 2 37 - 4 - HB2 PHE 48 - HG3 ARG 70 lone 1 48 - 3 - HD3 ARG 27 - HG3 ARG 70 lone 1 50 - 2 - HD2 ARG 27 - HG3 ARG 70 lone 1 50 - 2 - HD2 ARG 23 - HG LEU 86 lone 1 55 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 55 - 2 - HD2 ARG 71 - HG3 ARG 54 lone 1 79 - 1 - HD2 ARG 27 - HG LEU 86 lone 1 48 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 48 - 2 - HD2 ARG 23 - HG3 ARG 54 lone 1 64 - 1 - HD3 ARG 23 - HG3 ARG 54 lone 1 64 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 34 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 34 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD3 ARG 23 - HG LEU 62 lone 1 30 - 2 - HD2 ARG 23 - HG LEU 62 lone 1 30 - 2 - HD2 ARG 82 - HG3 ARG 17 lone 1 56 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 1 73 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 57 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 57 - 1 - HD3 ARG 17 - HG3 ARG 54 lone 1 72 - 1 - HD2 ARG 17 - HG3 ARG 54 lone 1 72 - 1 - HD2 ARG 82 - HG LEU 86 lone 1 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 54 - 1 - HD2 ARG 26 - HG3 ARG 54 lone 0 46 - 1 - HD3 ARG 26 - HG3 ARG 54 lone 0 44 - 1 - HD3 ARG 27 - HG LEU 62 lone 0 26 - 2 - HD2 ARG 27 - HG LEU 62 lone 0 26 - 2 - HD2 ARG 27 - HG3 ARG 54 lone 0 57 - 1 - HD3 ARG 27 - HG3 ARG 54 lone 0 57 - 1 - HB2 PHE 48 - HG2 ARG 17 lone 0 37 - 1 - HB2 PHE 48 - HG3 ARG 17 lone 0 36 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 40 - 1 - HB2 PHE 48 - HG2 ARG 26 lone 0 35 - 1 - Peak 3406 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 8 out of 117 assignments used, quality = 1.00: * HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 - 100 - 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 - 100 - 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 - 100 - 3.0=100 HD2 ARG 26 - HG2 ARG 26 OK 32 32 - 100 - 3.0=100 HD3 ARG 26 - HG2 ARG 26 OK 30 30 - 100 - 3.0=100 HD2 ARG 71 - HG2 ARG 26 OK 13 51 - 26 - 3.0/2932=2, ~1394=2...(7) HD2 ARG 71 - HG2 ARG 17 OK 12 55 - 22 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 17 OK 11 53 - 22 - 3.0/2932=2, ~2932=1 HD2 ARG 71 - HG3 ARG 70 OK 10 69 - 15 - 6137/5.0=2, ~2869=1...(5) HD2 ARG 17 - HG3 ARG 84 lone 10 97 - 10 - HD2 ARG 17 - HG2 ARG 84 lone 10 97 - 10 - HD3 ARG 17 - HG3 ARG 84 lone 10 97 - 10 - HD3 ARG 17 - HG2 ARG 84 lone 10 97 - 10 - HD2 ARG 71 - HG2 ARG 84 lone 9 98 - 9 - HD2 ARG 71 - HG3 ARG 84 lone 9 98 - 9 - HD2 ARG 26 - HG2 ARG 17 poor 6 34 - 18 - 3.0/1394=1 HD2 ARG 26 - HG3 ARG 17 poor 6 33 - 18 - 3.0/1394=1 HD3 ARG 26 - HG2 ARG 17 poor 6 33 - 18 - 3.0/1394=1 HD3 ARG 26 - HG3 ARG 17 poor 6 31 - 18 - 3.0/1394=1 HD3 ARG 17 - HG2 ARG 26 poor 6 49 - 11 - HD2 ARG 17 - HG2 ARG 26 poor 6 49 - 11 - HD2 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD3 ARG 84 - HG2 ARG 17 lone 5 58 - 9 - HD2 ARG 27 - HG2 ARG 26 poor 5 39 - 14 - ~1394=1 HD3 ARG 27 - HG2 ARG 26 poor 5 39 - 14 - ~1394=1 HD2 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HD3 ARG 84 - HG3 ARG 17 lone 5 56 - 9 - HB2 PHE 48 - HG2 ARG 84 lone 5 71 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 84 lone 5 71 - 7 - 3.0/4464=1 HB2 PHE 48 - HG3 ARG 54 lone 5 50 - 10 - ~4466=2, 3.0/4464=2, ~2324=2 HD3 ARG 27 - HG2 ARG 17 poor 5 42 - 11 - HD2 ARG 27 - HG2 ARG 17 poor 5 42 - 11 - HD2 ARG 27 - HG3 ARG 17 poor 4 40 - 11 - HD3 ARG 27 - HG3 ARG 17 poor 4 40 - 11 - HD2 ARG 26 - HG2 ARG 84 lone 4 71 - 6 - HD2 ARG 26 - HG3 ARG 84 lone 4 71 - 6 - HD2 ARG 23 - HG2 ARG 17 lone 4 47 - 9 - HD3 ARG 23 - HG2 ARG 17 lone 4 47 - 9 - HD3 ARG 26 - HG2 ARG 84 lone 4 68 - 6 - HD3 ARG 26 - HG3 ARG 84 lone 4 68 - 6 - HD3 ARG 23 - HG3 ARG 17 lone 4 45 - 9 - HD2 ARG 23 - HG3 ARG 17 lone 4 45 - 9 - HD3 ARG 17 - HG LEU 86 lone 3 65 - 5 - HD2 ARG 17 - HG LEU 86 lone 3 65 - 5 - HD3 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD2 ARG 84 - HG3 ARG 70 lone 3 73 - 4 - HD3 ARG 23 - HG3 ARG 84 lone 3 90 - 3 - HD2 ARG 23 - HG2 ARG 84 lone 3 90 - 3 - HD3 ARG 23 - HG2 ARG 84 lone 3 90 - 3 - HD2 ARG 23 - HG3 ARG 84 lone 3 90 - 3 - HB2 PHE 48 - HG LEU 86 lone 3 43 - 7 - 3.0/4464=1 HD3 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD2 ARG 84 - HG LEU 86 lone 3 71 - 4 - HD3 ARG 17 - HG3 ARG 70 lone 3 67 - 4 - HD2 ARG 17 - HG3 ARG 70 lone 3 67 - 4 - HD3 ARG 27 - HG3 ARG 84 lone 2 83 - 3 - HD3 ARG 27 - HG2 ARG 84 lone 2 83 - 3 - HD2 ARG 27 - HG2 ARG 84 lone 2 83 - 3 - HD2 ARG 27 - HG3 ARG 84 lone 2 83 - 3 - HD2 ARG 26 - HG3 ARG 70 lone 2 44 - 5 - HD2 ARG 84 - HG2 ARG 26 lone 2 54 - 4 - HD3 ARG 84 - HG2 ARG 26 lone 2 55 - 4 - HB2 PHE 48 - HG LEU 62 lone 2 23 - 10 - ~4679=1, ~4467=1...(4) HD2 ARG 71 - HG LEU 86 lone 2 67 - 3 - HD2 ARG 26 - HG LEU 62 lone 2 23 - 9 - ~5958=2 HD2 ARG 71 - HG LEU 62 lone 2 37 - 6 - HD2 ARG 26 - HG LEU 86 lone 2 43 - 5 - HD2 ARG 82 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 26 - HG3 ARG 70 lone 2 42 - 5 - HD3 ARG 23 - HG2 ARG 26 lone 2 44 - 4 - HD2 ARG 23 - HG2 ARG 26 lone 2 44 - 4 - HD2 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD3 ARG 84 - HG3 ARG 54 lone 2 81 - 2 - HD2 ARG 82 - HG3 ARG 84 lone 2 100 - 2 - HD2 ARG 82 - HG2 ARG 84 lone 2 100 - 2 - HD3 ARG 26 - HG LEU 62 lone 2 22 - 9 - ~5958=2 HD3 ARG 26 - HG LEU 86 lone 2 41 - 4 - HD3 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD2 ARG 84 - HG LEU 62 lone 2 40 - 4 - HD2 ARG 27 - HG3 ARG 70 lone 1 53 - 2 - HD3 ARG 27 - HG3 ARG 70 lone 1 53 - 2 - HB2 PHE 48 - HG3 ARG 70 lone 1 44 - 3 - HD2 ARG 23 - HG LEU 86 lone 1 58 - 2 - HD3 ARG 23 - HG LEU 86 lone 1 58 - 2 - HD2 ARG 27 - HG LEU 86 lone 1 52 - 2 - HD3 ARG 27 - HG LEU 86 lone 1 52 - 2 - HD2 ARG 71 - HG3 ARG 54 lone 1 77 - 1 - HD3 ARG 23 - HG3 ARG 54 lone 1 68 - 1 - HD2 ARG 23 - HG3 ARG 54 lone 1 68 - 1 - HD2 ARG 17 - HG LEU 62 lone 1 36 - 2 - HD3 ARG 17 - HG LEU 62 lone 1 36 - 2 - HD3 ARG 23 - HG LEU 62 lone 1 32 - 2 - HD2 ARG 23 - HG LEU 62 lone 1 32 - 2 - HD2 ARG 82 - HG2 ARG 17 lone 1 58 - 1 - HD2 ARG 82 - HG3 ARG 17 lone 1 56 - 1 - HD2 ARG 82 - HG3 ARG 70 lone 1 73 - 1 - HD3 ARG 23 - HG3 ARG 70 lone 1 60 - 1 - HD2 ARG 23 - HG3 ARG 70 lone 1 60 - 1 - HD3 ARG 17 - HG3 ARG 54 lone 1 75 - 1 - HD2 ARG 17 - HG3 ARG 54 lone 1 75 - 1 - HD2 ARG 82 - HG LEU 86 lone 1 71 - 1 - HD2 ARG 82 - HG2 ARG 26 lone 0 54 - 1 - HD2 ARG 26 - HG3 ARG 54 lone 0 50 - 1 - HD3 ARG 26 - HG3 ARG 54 lone 0 48 - 1 - HD2 ARG 27 - HG LEU 62 lone 0 28 - 2 - HD3 ARG 27 - HG LEU 62 lone 0 28 - 2 - HD3 ARG 27 - HG3 ARG 54 lone 0 60 - 1 - HD2 ARG 27 - HG3 ARG 54 lone 0 60 - 1 - HD2 ARG 82 - HG LEU 62 lone 0 40 - 1 - HB2 PHE 48 - HG2 ARG 17 lone 0 34 - 1 - HB2 PHE 48 - HG3 ARG 17 lone 0 33 - 1 - HB2 PHE 48 - HG2 ARG 26 lone 0 32 - 1 - Peak 3409 from cnoeabs.peaks (1.73, 3.15, 43.10 ppm; 3.02 A): 5 out of 132 assignments used, quality = 1.00: * HB2 ARG 84 + HD2 ARG 84 OK 77 100 - 78 - 3.5=64, 1.8/3410=6...(14) HB2 ARG 84 + HD3 ARG 84 OK 77 100 - 78 - 3.5=64, 1.8/3410=6...(14) HG3 ARG 71 + HD2 ARG 71 OK 68 68 - 100 - 3.0=100 HB3 ARG 17 + HD3 ARG 17 OK 60 80 - 75 - 3.6=59, 1167/3.0=4...(15) HB3 ARG 17 + HD2 ARG 17 OK 60 80 - 75 - 3.6=59, 1167/3.0=4...(15) HG3 ARG 26 - HD2 ARG 26 OK 44 44 - 100 - 3.0=100 HG3 ARG 26 - HD3 ARG 26 OK 42 42 - 100 - 3.0=100 HG3 ARG 26 - HD2 ARG 71 OK 17 76 - 23 - 1394/3.0=3, 1391/4.7=2...(10) HB3 ARG 17 - HD2 ARG 71 OK 15 86 - 17 - 1164/3.5=1, 1164/3.5=1...(4) HG3 ARG 71 - HD3 ARG 17 OK 13 62 - 21 - 2934=2, 2934/1.8=2...(8) HG3 ARG 71 - HD2 ARG 17 OK 13 62 - 21 - 2934=2, 2934/1.8=2...(8) HG2 ARG 70 - HD2 ARG 71 OK 13 84 - 15 - 307/5.8=2, 2869/3.0=2...(4) HG3 ARG 71 - HD2 ARG 26 OK 11 39 - 28 - 2932/3.0=2, 2935/1.8=2...(6) HG3 ARG 71 - HD3 ARG 26 OK 10 37 - 28 - 2932/3.0=2, 2929/4.8=2...(6) HB3 LEU 64 - HD3 ARG 23 poor 10 46 - 22 - 2630/2.9=2, 3.1/5019=2...(8) HB3 LEU 64 - HD2 ARG 23 poor 10 46 - 22 - 2630/2.9=2, 3.1/5019=2...(8) HB2 ARG 84 - HD3 ARG 17 lone 9 95 - 10 - HB2 ARG 84 - HD2 ARG 17 lone 9 95 - 10 - HB2 LEU 29 - HD2 ARG 84 lone 9 97 - 9 - 1486/2.9=1, 1486/2.9=1 HB2 LEU 29 - HD3 ARG 84 lone 9 97 - 9 - 1486/2.9=1, 1486/2.9=1 HB3 ARG 17 - HD2 ARG 84 lone 9 89 - 10 - HB3 ARG 17 - HD3 ARG 84 lone 8 88 - 10 - HB3 ARG 17 - HD2 ARG 27 poor 9 63 - 14 - HB3 ARG 17 - HD3 ARG 27 poor 9 63 - 14 - HB3 LYS 85 - HD2 ARG 84 lone 8 100 - 9 - 3385/3.5=2, 6062/5.1=1 HB3 LYS 85 - HD3 ARG 84 lone 8 100 - 9 - 3385/3.5=2, 6062/5.1=1 HB3 ARG 17 - HD2 ARG 26 poor 8 52 - 16 - HG3 ARG 26 - HD2 ARG 17 poor 8 69 - 11 - 1394/3.0=1, 1394/3.0=1 HG3 ARG 26 - HD3 ARG 17 poor 8 69 - 11 - 1394/3.0=1, 1394/3.0=1 HG3 ARG 26 - HD3 ARG 27 poor 8 54 - 14 - 1394/3.0=2, 1394/3.0=1...(4) HG3 ARG 26 - HD2 ARG 27 poor 8 54 - 14 - 1394/3.0=2, 1394/3.0=1...(4) HB3 ARG 17 - HD3 ARG 26 poor 8 50 - 15 - HG3 ARG 71 - HD2 ARG 84 lone 7 71 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 6 71 - 9 - HG3 ARG 71 - HD3 ARG 27 poor 6 48 - 13 - HG3 ARG 71 - HD2 ARG 27 poor 6 48 - 13 - HB2 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HB3 ARG 17 - HD3 ARG 23 lone 6 71 - 8 - HB3 ARG 17 - HD2 ARG 23 lone 6 71 - 8 - HB3 LYS 83 - HD2 ARG 84 lone 6 98 - 6 - 4.3/5915=1, 3385/3.5=1 HB3 LYS 83 - HD3 ARG 84 lone 6 98 - 6 - 4.3/5915=1, 3385/3.5=1 HG3 ARG 71 - HD3 ARG 23 lone 5 55 - 10 - HG3 ARG 71 - HD2 ARG 23 lone 5 55 - 10 - HB2 LEU 29 - HD2 ARG 71 lone 5 95 - 5 - 5348/4.7=2 HB3 LEU 64 - HD2 ARG 82 lone 4 56 - 7 - 2630/3.0=1 HG2 ARG 70 - HD2 ARG 84 lone 4 87 - 4 - HG2 ARG 70 - HD3 ARG 84 lone 4 87 - 4 - HB3 LEU 64 - HD2 ARG 17 lone 4 52 - 7 - HB3 LEU 64 - HD3 ARG 17 lone 4 52 - 7 - HB2 LEU 62 - HD2 ARG 71 lone 3 80 - 4 - HB2 LEU 62 - HD2 ARG 26 lone 3 47 - 7 - ~5958=1 HB2 LEU 62 - HD3 ARG 26 lone 3 45 - 7 - ~5958=1 HB2 ARG 84 - HD2 ARG 26 lone 3 65 - 5 - HG2 ARG 70 - HD3 ARG 17 lone 3 78 - 4 - HG2 ARG 70 - HD2 ARG 17 lone 3 78 - 4 - HB2 LEU 62 - HD2 ARG 84 lone 3 83 - 3 - HB2 LEU 62 - HD3 ARG 84 lone 3 83 - 3 - HB2 ARG 84 - HD3 ARG 26 lone 3 63 - 5 - HG2 ARG 70 - HD2 ARG 26 lone 3 50 - 6 - HG3 ARG 26 - HD2 ARG 84 lone 3 78 - 3 - HG3 ARG 26 - HD3 ARG 84 lone 3 78 - 3 - HB2 LEU 29 - HD2 ARG 82 lone 3 94 - 3 - HB2 ARG 84 - HD2 ARG 23 lone 3 87 - 3 - HB2 ARG 84 - HD3 ARG 23 lone 3 87 - 3 - HG3 ARG 26 - HD3 ARG 23 lone 3 62 - 4 - HG3 ARG 26 - HD2 ARG 23 lone 3 62 - 4 - HB2 LEU 29 - HD2 ARG 26 lone 3 61 - 4 - 5348/4.8=2 HB2 LEU 29 - HD3 ARG 26 lone 2 58 - 4 - 5348/4.8=2 HB2 ARG 84 - HD3 ARG 27 lone 2 78 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 2 78 - 3 - HB2 LEU 43 - HD2 ARG 84 lone 2 100 - 2 - HG2 ARG 70 - HD3 ARG 26 lone 2 48 - 5 - HB3 LYS 83 - HD2 ARG 82 lone 2 95 - 2 - HB2 LEU 43 - HD3 ARG 84 lone 2 100 - 2 - HB2 ARG 84 - HD2 ARG 82 lone 2 98 - 2 - HB3 LYS 85 - HD2 ARG 71 lone 2 99 - 2 - HB2 LEU 29 - HD3 ARG 23 lone 2 82 - 2 - HB2 LEU 29 - HD2 ARG 23 lone 2 82 - 2 - HB3 LEU 64 - HD3 ARG 27 lone 2 40 - 5 - HB3 LEU 64 - HD2 ARG 27 lone 2 40 - 5 - HB2 LEU 43 - HD2 ARG 71 lone 2 99 - 2 - HB2 LEU 62 - HD2 ARG 17 lone 2 74 - 2 - HB2 LEU 62 - HD3 ARG 17 lone 2 74 - 2 - HB2 LEU 29 - HD3 ARG 17 lone 1 90 - 2 - HB2 LEU 29 - HD2 ARG 17 lone 1 90 - 2 - HG2 ARG 70 - HD2 ARG 27 lone 1 62 - 2 - HG2 ARG 70 - HD3 ARG 27 lone 1 62 - 2 - HB3 LYS 85 - HD3 ARG 17 lone 1 94 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 94 - 1 - HB2 LEU 62 - HD2 ARG 23 lone 1 66 - 2 - HB2 LEU 62 - HD3 ARG 23 lone 1 66 - 2 - HB3 LYS 85 - HD2 ARG 82 lone 1 98 - 1 - HB3 LEU 64 - HD2 ARG 71 lone 1 58 - 2 - HB3 LEU 64 - HD2 ARG 26 lone 1 32 - 4 - HB2 LEU 43 - HD2 ARG 26 lone 1 65 - 2 - HB3 LYS 83 - HD2 ARG 71 lone 1 96 - 1 - HB3 LEU 64 - HD3 ARG 26 lone 1 31 - 4 - HB2 LEU 43 - HD3 ARG 26 lone 1 63 - 2 - HB3 LYS 83 - HD2 ARG 17 lone 1 91 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 1 91 - 1 - HB2 LEU 29 - HD3 ARG 27 lone 1 73 - 1 - HB2 LEU 29 - HD2 ARG 27 lone 1 73 - 1 - HB3 LEU 64 - HD2 ARG 84 lone 1 60 - 2 - HB3 LEU 64 - HD3 ARG 84 lone 1 60 - 2 - HB3 ARG 17 - HD2 ARG 82 lone 1 85 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 1 94 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 1 94 - 1 - HB2 LEU 43 - HD3 ARG 23 lone 1 87 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 1 87 - 1 - HG3 ARG 71 - HD2 ARG 82 lone 1 67 - 1 - HB2 LEU 62 - HD3 ARG 27 lone 1 58 - 1 - HB2 LEU 62 - HD2 ARG 27 lone 1 58 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 1 98 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 78 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 1 78 - 1 - HG2 ARG 70 - HD3 ARG 23 lone 1 70 - 1 - HG2 ARG 70 - HD2 ARG 23 lone 1 70 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 1 83 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 1 83 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 1 86 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 1 86 - 1 - HG2 ARG 70 - HD2 ARG 82 lone 1 83 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 1 77 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 1 77 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 65 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 62 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 0 74 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 0 61 - 1 - HB3 LYS 83 - HD3 ARG 27 lone 0 74 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 74 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 0 59 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 0 79 - 0 - Peak 3410 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.03 A): 2 out of 156 assignments used, quality = 0.96: * HB3 ARG 84 + HD2 ARG 84 OK 79 100 - 79 - 3.5=65, 3394/2.9=5...(18) HB3 ARG 84 + HD3 ARG 84 OK 79 100 - 79 - 3.5=65, 3394/2.9=5...(18) HB3 ARG 84 - HD3 ARG 17 poor 10 95 - 11 - 3390=1 HB3 ARG 84 - HD2 ARG 17 poor 10 95 - 11 - 3390=1 HB2 LYS 85 - HD2 ARG 84 lone 7 100 - 7 - 3378/3.5=2 HB2 LYS 85 - HD3 ARG 84 lone 7 100 - 7 - 3378/3.5=2 HB2 LYS 73 - HD2 ARG 84 lone 7 83 - 8 - 3378/3.5=1 HB2 LYS 73 - HD3 ARG 84 lone 7 83 - 8 - 3378/3.5=1 HB3 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HB2 PRO 34 - HD2 ARG 71 lone 6 73 - 8 - HB2 LYS 32 - HD2 ARG 71 lone 5 58 - 9 - HB3 LYS 32 - HD2 ARG 71 lone 5 58 - 9 - HB3 LYS 73 - HD2 ARG 84 lone 5 71 - 7 - 3378/3.5=1 HB3 LYS 73 - HD3 ARG 84 lone 5 71 - 7 - 3378/3.5=1 HB3 LYS 39 - HD3 ARG 23 lone 4 66 - 7 - HB3 LYS 39 - HD2 ARG 23 lone 4 66 - 7 - HB ILE 89 - HD2 ARG 84 lone 4 81 - 5 - HB ILE 89 - HD3 ARG 84 lone 4 80 - 5 - HB2 PRO 34 - HD2 ARG 26 lone 4 42 - 10 - HB2 LYS 83 - HD2 ARG 84 lone 4 81 - 5 - 4.3/5915=1 HB2 LYS 83 - HD3 ARG 84 lone 4 80 - 5 - 4.3/5915=1 HB2 PRO 34 - HD3 ARG 26 lone 4 40 - 10 - HB3 ARG 84 - HD2 ARG 26 lone 4 65 - 5 - HB2 LYS 73 - HD2 ARG 71 lone 3 80 - 4 - HB3 ARG 84 - HD3 ARG 26 lone 3 63 - 5 - HB2 LYS 32 - HD2 ARG 84 lone 3 60 - 6 - HB3 LYS 32 - HD2 ARG 84 lone 3 60 - 6 - HB3 LYS 32 - HD3 ARG 84 lone 3 60 - 5 - HB2 LYS 32 - HD3 ARG 84 lone 3 60 - 5 - HB3 LYS 39 - HD2 ARG 84 lone 3 83 - 4 - HB3 LYS 39 - HD3 ARG 84 lone 3 83 - 4 - HB3 LYS 73 - HD2 ARG 71 lone 3 68 - 4 - HB3 ARG 84 - HD2 ARG 23 lone 3 87 - 3 - HB3 ARG 84 - HD3 ARG 23 lone 3 87 - 3 - HB3 ARG 84 - HD2 ARG 27 lone 3 78 - 3 - HB3 ARG 84 - HD3 ARG 27 lone 3 78 - 3 - HB3 ARG 84 - HD2 ARG 82 lone 2 98 - 2 - HB3 LYS 75 - HD2 ARG 71 lone 2 89 - 2 - HB3 LYS 75 - HD2 ARG 23 lone 2 75 - 3 - HB3 LYS 75 - HD3 ARG 23 lone 2 75 - 3 - HB3 LYS 75 - HD2 ARG 84 lone 2 92 - 2 - HB3 LYS 75 - HD3 ARG 84 lone 2 92 - 2 - HB2 LYS 73 - HD2 ARG 82 lone 2 79 - 2 - HB2 LYS 32 - HD3 ARG 17 lone 2 52 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 52 - 3 - HB2 LYS 32 - HD2 ARG 17 lone 2 52 - 3 - HB3 LYS 32 - HD3 ARG 17 lone 2 52 - 3 - HB2 LYS 85 - HD2 ARG 71 lone 2 99 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 74 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 74 - 2 - HB3 LYS 39 - HD2 ARG 82 lone 1 79 - 2 - HB2 LYS 85 - HD3 ARG 17 lone 1 95 - 1 - HB2 LYS 85 - HD2 ARG 17 lone 1 95 - 1 - HB3 LYS 73 - HD2 ARG 17 lone 1 62 - 2 - HB3 LYS 73 - HD3 ARG 17 lone 1 62 - 2 - HB2 PRO 34 - HD2 ARG 82 lone 1 72 - 2 - HB ILE 89 - HD3 ARG 27 lone 1 56 - 2 - HB ILE 89 - HD2 ARG 27 lone 1 56 - 2 - HB3 LYS 32 - HD2 ARG 26 lone 1 32 - 4 - HB2 LYS 32 - HD2 ARG 26 lone 1 32 - 4 - HB2 LYS 83 - HD2 ARG 82 lone 1 76 - 2 - HB3 LYS 39 - HD2 ARG 71 lone 1 80 - 1 - HB3 LYS 73 - HD2 ARG 82 lone 1 67 - 2 - HB2 ARG 69 - HD3 ARG 84 lone 1 100 - 1 - HB2 ARG 69 - HD2 ARG 84 lone 1 100 - 1 - HB2 LYS 32 - HD3 ARG 26 lone 1 31 - 4 - HB3 LYS 32 - HD3 ARG 26 lone 1 31 - 4 - HB2 PRO 34 - HD2 ARG 84 lone 1 76 - 1 - HB2 LYS 13 - HD2 ARG 84 lone 1 95 - 1 - HB2 LYS 13 - HD3 ARG 84 lone 1 94 - 1 - HB2 PRO 34 - HD3 ARG 84 lone 1 76 - 1 - HB2 PRO 34 - HD3 ARG 27 lone 1 52 - 2 - HB2 PRO 34 - HD2 ARG 27 lone 1 52 - 2 - HB ILE 89 - HD2 ARG 17 lone 1 72 - 1 - HB ILE 89 - HD3 ARG 17 lone 1 72 - 1 - HB2 LYS 13 - HD2 ARG 23 lone 1 78 - 1 - HB2 LYS 13 - HD3 ARG 23 lone 1 78 - 1 - HB3 LYS 39 - HD2 ARG 17 lone 1 74 - 1 - HB3 LYS 39 - HD3 ARG 17 lone 1 74 - 1 - HB2 LYS 85 - HD2 ARG 82 lone 1 98 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 66 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 66 - 1 - HB2 LYS 32 - HD2 ARG 82 lone 1 56 - 1 - HB3 LYS 32 - HD2 ARG 82 lone 1 56 - 1 - HB3 LYS 73 - HD2 ARG 23 lone 1 55 - 1 - HB3 LYS 73 - HD3 ARG 23 lone 1 55 - 1 - HB2 LYS 83 - HD3 ARG 17 lone 1 72 - 1 - HB2 LYS 83 - HD2 ARG 17 lone 1 72 - 1 - HB3 LYS 32 - HD2 ARG 27 lone 1 40 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 40 - 2 - HB2 LYS 32 - HD3 ARG 27 lone 1 40 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 40 - 2 - HB2 LYS 83 - HD2 ARG 71 lone 1 78 - 1 - HB ILE 89 - HD2 ARG 82 lone 1 76 - 1 - HB3 LYS 75 - HD2 ARG 17 lone 1 83 - 1 - HB3 LYS 75 - HD3 ARG 17 lone 1 83 - 1 - HB ILE 89 - HD2 ARG 71 lone 1 78 - 1 - HB3 LYS 75 - HD2 ARG 82 lone 1 88 - 1 - HB2 LYS 13 - HD2 ARG 82 lone 1 91 - 1 - HB2 LYS 13 - HD2 ARG 71 lone 1 92 - 1 - HB2 ARG 69 - HD2 ARG 71 lone 1 99 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 46 - 1 - HB2 PRO 34 - HD2 ARG 23 lone 1 59 - 1 - HB2 PRO 34 - HD3 ARG 23 lone 1 59 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 47 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 44 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 64 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 64 - 1 - HB3 LYS 39 - HD2 ARG 27 lone 1 58 - 1 - HB3 LYS 39 - HD3 ARG 27 lone 1 58 - 1 - HB2 PRO 34 - HD2 ARG 17 lone 1 67 - 1 - HB2 PRO 34 - HD3 ARG 17 lone 1 67 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 45 - 1 - HB2 LYS 85 - HD3 ARG 23 lone 1 87 - 1 - HB2 LYS 85 - HD2 ARG 23 lone 1 87 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 58 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 58 - 1 - HB2 LYS 85 - HD3 ARG 27 lone 1 78 - 1 - HB2 LYS 85 - HD2 ARG 27 lone 1 78 - 1 - HB2 LYS 85 - HD2 ARG 26 lone 1 65 - 1 - HB2 LYS 13 - HD3 ARG 17 lone 0 86 - 1 - HB2 LYS 13 - HD2 ARG 17 lone 0 86 - 1 - HB2 LYS 85 - HD3 ARG 26 lone 0 63 - 1 - HB3 LYS 75 - HD2 ARG 27 lone 0 66 - 1 - HB3 LYS 75 - HD3 ARG 27 lone 0 66 - 1 - HB3 LYS 73 - HD2 ARG 26 lone 1 39 - 1 - HB2 LYS 83 - HD3 ARG 23 lone 0 64 - 1 - HB2 LYS 83 - HD2 ARG 23 lone 0 64 - 1 - HB2 ARG 69 - HD2 ARG 82 lone 0 98 - 0 - HB2 ARG 69 - HD3 ARG 17 lone 0 95 - 0 - HB2 ARG 69 - HD2 ARG 17 lone 0 95 - 0 - HB3 LYS 73 - HD3 ARG 26 lone 0 37 - 1 - HB3 LYS 39 - HD2 ARG 26 lone 0 47 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 0 46 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 0 46 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 0 46 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 0 46 - 1 - HB3 LYS 39 - HD3 ARG 26 lone 0 45 - 1 - HB2 ARG 69 - HD3 ARG 23 lone 0 87 - 0 - HB2 ARG 69 - HD2 ARG 23 lone 0 87 - 0 - HB3 LYS 73 - HD3 ARG 27 lone 0 48 - 1 - HB3 LYS 73 - HD2 ARG 27 lone 0 48 - 1 - HB2 LYS 13 - HD3 ARG 27 lone 0 69 - 1 - HB2 LYS 13 - HD2 ARG 27 lone 0 69 - 1 - HB2 LYS 83 - HD2 ARG 27 lone 0 56 - 1 - HB2 LYS 83 - HD3 ARG 27 lone 0 56 - 1 - HB2 LYS 13 - HD2 ARG 26 lone 0 57 - 1 - HB2 LYS 83 - HD2 ARG 26 lone 0 46 - 1 - HB2 ARG 69 - HD3 ARG 27 lone 0 78 - 0 - HB2 ARG 69 - HD2 ARG 27 lone 0 78 - 0 - HB2 LYS 13 - HD3 ARG 26 lone 0 55 - 1 - HB2 LYS 83 - HD3 ARG 26 lone 0 44 - 1 - HB3 LYS 75 - HD2 ARG 26 lone 0 55 - 1 - HB2 ARG 69 - HD2 ARG 26 lone 0 65 - 0 - HB3 LYS 75 - HD3 ARG 26 lone 0 52 - 1 - HB2 ARG 69 - HD3 ARG 26 lone 0 63 - 0 - Peak 3411 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 9 out of 240 assignments used, quality = 1.00: * HG2 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG3 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 71 + HD2 ARG 71 OK 58 66 - 89 - 3.0=87, 3.8/2902=2...(5) HG2 ARG 17 + HD2 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1161=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1161=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 54 60 - 91 - 3.0=88, 2.9/1161=3...(9) HG3 ARG 17 + HD3 ARG 17 OK 54 60 - 91 - 3.0=88, 2.9/1161=3...(9) HG2 ARG 26 - HD2 ARG 26 OK 31 34 - 92 - 3.0=91 HG2 ARG 26 - HD3 ARG 26 OK 30 32 - 92 - 3.0=91 HG2 ARG 26 - HD2 ARG 71 OK 10 60 - 17 - ~1394=1, 3.7/2937=1, 2932/3.0=1 HG2 ARG 71 - HD3 ARG 17 OK 10 60 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 71 - HD2 ARG 17 OK 10 60 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 17 - HD2 ARG 71 poor 10 68 - 14 - 2878/1.8=1 HG3 ARG 70 - HD2 ARG 71 poor 9 82 - 11 - 5.0/6137=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD2 ARG 71 poor 9 66 - 14 - HG2 ARG 71 - HD2 ARG 26 poor 8 37 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG2 ARG 71 - HD3 ARG 26 poor 8 36 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HD2 LYS 32 - HD2 ARG 71 lone 7 86 - 8 - HG2 ARG 84 - HD2 ARG 17 lone 7 95 - 7 - HG2 ARG 84 - HD3 ARG 17 lone 7 95 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 7 95 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 7 95 - 7 - HD3 LYS 32 - HD2 ARG 71 lone 7 82 - 8 - HB3 LEU 29 - HD2 ARG 84 lone 6 95 - 7 - HB3 LEU 29 - HD3 ARG 84 lone 6 94 - 7 - HG3 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HG2 ARG 71 - HD2 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 71 - HD3 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 17 - HD2 ARG 26 poor 5 39 - 13 - HG3 ARG 17 - HD2 ARG 26 poor 5 37 - 13 - HG2 ARG 71 - HD2 ARG 27 poor 5 46 - 10 - HG2 ARG 71 - HD3 ARG 27 poor 5 46 - 10 - HG2 ARG 17 - HD3 ARG 26 poor 5 37 - 12 - HG2 ARG 26 - HD3 ARG 17 lone 4 55 - 8 - HG2 ARG 26 - HD2 ARG 17 lone 4 55 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 4 53 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 4 53 - 8 - HG2 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 71 - 6 - HG3 ARG 17 - HD3 ARG 26 poor 4 36 - 12 - HG3 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HG2 ARG 26 - HD2 ARG 27 poor 4 42 - 10 - HG2 ARG 26 - HD3 ARG 27 poor 4 42 - 10 - HG3 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HD2 LYS 73 - HD2 ARG 71 lone 4 86 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 4 86 - 5 - HB3 LEU 62 - HD2 ARG 71 lone 4 98 - 4 - HB3 LEU 62 - HD2 ARG 26 lone 4 64 - 6 - ~5958=1 HB3 LEU 62 - HD3 ARG 26 lone 4 62 - 6 - ~5958=1 HG2 ARG 17 - HD2 ARG 27 lone 4 48 - 7 - HG2 ARG 17 - HD3 ARG 27 lone 4 48 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 3 55 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 3 55 - 6 - HG3 ARG 17 - HD3 ARG 27 lone 3 46 - 7 - HG3 ARG 17 - HD2 ARG 27 lone 3 46 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 3 53 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 3 53 - 6 - HB2 LEU 86 - HD2 ARG 17 lone 3 72 - 4 - HB2 LEU 86 - HD3 ARG 17 lone 3 72 - 4 - HB3 LEU 62 - HD2 ARG 84 lone 3 100 - 3 - HB3 LEU 62 - HD3 ARG 84 lone 3 100 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 89 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 89 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 88 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 88 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 88 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 93 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 93 - 3 - HD2 LYS 39 - HD2 ARG 23 lone 3 82 - 3 - HD2 LYS 39 - HD3 ARG 23 lone 3 82 - 3 - HD3 LYS 39 - HD3 ARG 23 lone 3 80 - 3 - HD3 LYS 39 - HD2 ARG 23 lone 3 80 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 85 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 85 - 3 - HG2 ARG 84 - HD2 ARG 26 lone 3 65 - 4 - HG3 ARG 84 - HD2 ARG 26 lone 3 65 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG LEU 86 - HD2 ARG 84 lone 2 100 - 2 - HG LEU 86 - HD3 ARG 84 lone 2 100 - 2 - HB3 LEU 29 - HD2 ARG 71 lone 2 92 - 2 - HG3 ARG 70 - HD2 ARG 84 lone 2 85 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 85 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 81 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 80 - 3 - HG LEU 62 - HD2 ARG 71 lone 2 63 - 3 - HG2 ARG 84 - HD2 ARG 23 lone 2 87 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 87 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 2 87 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 87 - 2 - HG LEU 86 - HD2 ARG 71 lone 2 98 - 2 - HG LEU 62 - HD2 ARG 26 lone 2 36 - 6 - ~5958=1 HB3 LEU 29 - HD2 ARG 82 lone 2 91 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 76 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 76 - 2 - HG2 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HG LEU 62 - HD3 ARG 26 lone 2 34 - 5 - ~5958=1 HG2 ARG 26 - HD3 ARG 84 lone 2 63 - 3 - HG LEU 86 - HD2 ARG 26 lone 2 64 - 3 - HD2 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HD2 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD3 ARG 84 lone 2 96 - 2 - HB3 LEU 29 - HD2 ARG 26 lone 2 57 - 3 - HG3 ARG 70 - HD2 ARG 26 lone 2 49 - 3 - HG2 ARG 26 - HD3 ARG 23 lone 2 48 - 3 - HG2 ARG 26 - HD2 ARG 23 lone 2 48 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 80 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 80 - 2 - HB3 LEU 29 - HD3 ARG 26 lone 2 55 - 3 - HG3 ARG 84 - HD3 ARG 27 lone 2 78 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 2 78 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 2 78 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 2 78 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 65 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 65 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 62 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 78 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 76 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 76 - 2 - HB3 LEU 62 - HD3 ARG 23 lone 1 86 - 2 - HB3 LEU 62 - HD2 ARG 23 lone 1 86 - 2 - HB3 LEU 29 - HD2 ARG 23 lone 1 78 - 2 - HB3 LEU 29 - HD3 ARG 23 lone 1 78 - 2 - HG3 ARG 54 - HD2 ARG 82 lone 1 85 - 2 - HG3 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 26 lone 1 52 - 3 - HB3 LEU 62 - HD2 ARG 17 lone 1 93 - 1 - HB3 LEU 62 - HD3 ARG 17 lone 1 93 - 1 - HG3 ARG 54 - HD2 ARG 84 lone 1 89 - 1 - HG3 ARG 54 - HD3 ARG 84 lone 1 88 - 1 - HD2 LYS 32 - HD3 ARG 26 lone 1 50 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 1 49 - 3 - HB3 LEU 51 - HD2 ARG 84 lone 1 99 - 1 - HG3 ARG 70 - HD3 ARG 26 lone 1 47 - 3 - HB3 LEU 51 - HD3 ARG 84 lone 1 99 - 1 - HD3 LYS 32 - HD3 ARG 26 lone 1 47 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 1 46 - 3 - HD3 LYS 73 - HD3 ARG 17 lone 1 80 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 80 - 1 - HD3 LYS 73 - HD2 ARG 17 lone 1 80 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 80 - 1 - HB2 LEU 86 - HD3 ARG 26 lone 1 44 - 3 - HG LEU 86 - HD3 ARG 23 lone 1 86 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 86 - 1 - HD2 LYS 39 - HD2 ARG 82 lone 1 94 - 1 - HB3 LEU 29 - HD2 ARG 17 lone 1 86 - 1 - HB3 LEU 29 - HD3 ARG 17 lone 1 86 - 1 - HD3 LYS 39 - HD2 ARG 82 lone 1 93 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 77 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 77 - 1 - HG3 ARG 70 - HD2 ARG 27 lone 1 60 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 60 - 2 - HD2 LYS 39 - HD2 ARG 71 lone 1 95 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 64 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 64 - 1 - HD3 LYS 39 - HD2 ARG 71 lone 1 94 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 98 - 1 - HB3 LEU 62 - HD3 ARG 27 lone 1 77 - 1 - HB3 LEU 62 - HD2 ARG 27 lone 1 77 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 85 - 1 - HG3 ARG 54 - HD2 ARG 71 lone 1 86 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 63 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 63 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 81 - 1 - HB2 LEU 86 - HD2 ARG 27 lone 1 56 - 1 - HB2 LEU 86 - HD3 ARG 27 lone 1 56 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 60 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 60 - 1 - HB3 LEU 29 - HD3 ARG 27 lone 1 69 - 1 - HB3 LEU 29 - HD2 ARG 27 lone 1 69 - 1 - HG LEU 62 - HD3 ARG 23 lone 1 50 - 1 - HG LEU 62 - HD2 ARG 23 lone 1 50 - 1 - HD3 LYS 73 - HD2 ARG 26 lone 1 52 - 1 - HD2 LYS 73 - HD2 ARG 26 lone 1 52 - 1 - HD2 LYS 39 - HD2 ARG 17 lone 1 90 - 1 - HD2 LYS 39 - HD3 ARG 17 lone 1 90 - 1 - HD3 LYS 39 - HD3 ARG 17 lone 1 89 - 1 - HD3 LYS 39 - HD2 ARG 17 lone 1 89 - 1 - HG LEU 62 - HD3 ARG 17 lone 1 57 - 1 - HG LEU 62 - HD2 ARG 17 lone 1 57 - 1 - HD3 LYS 73 - HD3 ARG 26 lone 1 50 - 1 - HD2 LYS 73 - HD3 ARG 26 lone 1 50 - 1 - HG3 ARG 54 - HD3 ARG 23 lone 1 71 - 1 - HG3 ARG 54 - HD2 ARG 23 lone 1 71 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HB3 LEU 62 - HD2 ARG 82 lone 1 97 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 93 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 93 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 1 97 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 67 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 71 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 71 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 81 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 68 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 68 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 97 - 0 - HB3 LEU 51 - HD2 ARG 23 lone 0 85 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 85 - 1 - HD2 LYS 39 - HD2 ARG 27 lone 1 73 - 1 - HD2 LYS 39 - HD3 ARG 27 lone 1 73 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 68 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 68 - 1 - HD3 LYS 39 - HD2 ARG 27 lone 0 72 - 1 - HD3 LYS 39 - HD3 ARG 27 lone 0 72 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 0 64 - 1 - HG3 ARG 54 - HD2 ARG 17 lone 0 80 - 1 - HG3 ARG 54 - HD3 ARG 17 lone 0 80 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 0 61 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 0 63 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 0 63 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 0 63 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 0 63 - 1 - HD2 LYS 39 - HD2 ARG 26 lone 0 61 - 1 - HD3 LYS 39 - HD2 ARG 26 lone 0 60 - 1 - HD2 LYS 39 - HD3 ARG 26 lone 0 58 - 1 - HG LEU 62 - HD2 ARG 27 lone 0 44 - 1 - HG LEU 62 - HD3 ARG 27 lone 0 44 - 1 - HD3 LYS 39 - HD3 ARG 26 lone 0 57 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 59 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 76 - 0 - HG3 ARG 54 - HD2 ARG 26 lone 0 52 - 1 - HB3 LEU 51 - HD3 ARG 27 lone 0 76 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 76 - 0 - HG3 ARG 54 - HD3 ARG 26 lone 0 50 - 1 - HG LEU 62 - HD2 ARG 82 lone 0 62 - 0 - HG3 ARG 54 - HD2 ARG 27 lone 0 63 - 0 - HG3 ARG 54 - HD3 ARG 27 lone 0 63 - 0 - Peak 3412 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 9 out of 240 assignments used, quality = 1.00: HG2 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) * HG3 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG3 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 71 + HD2 ARG 71 OK 58 66 - 89 - 3.0=87, 3.8/2902=2...(5) HG2 ARG 17 + HD2 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1161=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1161=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 54 60 - 91 - 3.0=88, 2.9/1161=3...(9) HG3 ARG 17 + HD3 ARG 17 OK 54 60 - 91 - 3.0=88, 2.9/1161=3...(9) HG2 ARG 26 - HD2 ARG 26 OK 31 34 - 92 - 3.0=91 HG2 ARG 26 - HD3 ARG 26 OK 30 32 - 92 - 3.0=91 HG2 ARG 26 - HD2 ARG 71 OK 10 60 - 17 - ~1394=1, 3.7/2937=1, 2932/3.0=1 HG2 ARG 71 - HD3 ARG 17 OK 10 60 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 71 - HD2 ARG 17 OK 10 60 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 17 - HD2 ARG 71 poor 10 68 - 14 - 2878/1.8=1 HG3 ARG 70 - HD2 ARG 71 poor 9 82 - 11 - 5.0/6137=1, ~2870=1, ~2871=1 HG3 ARG 17 - HD2 ARG 71 poor 9 66 - 14 - HG2 ARG 71 - HD2 ARG 26 poor 8 37 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG2 ARG 71 - HD3 ARG 26 poor 8 36 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HD2 LYS 32 - HD2 ARG 71 lone 7 86 - 8 - HG2 ARG 84 - HD2 ARG 17 lone 7 95 - 7 - HG2 ARG 84 - HD3 ARG 17 lone 7 95 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 7 95 - 7 - HG3 ARG 84 - HD3 ARG 17 lone 7 95 - 7 - HD3 LYS 32 - HD2 ARG 71 lone 7 82 - 8 - HB3 LEU 29 - HD2 ARG 84 lone 6 95 - 7 - HB3 LEU 29 - HD3 ARG 84 lone 6 94 - 7 - HG3 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 6 99 - 6 - HG2 ARG 71 - HD2 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 71 - HD3 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 17 - HD2 ARG 26 poor 5 39 - 13 - HG3 ARG 17 - HD2 ARG 26 poor 5 37 - 13 - HG2 ARG 71 - HD2 ARG 27 poor 5 46 - 10 - HG2 ARG 71 - HD3 ARG 27 poor 5 46 - 10 - HG2 ARG 17 - HD3 ARG 26 poor 5 37 - 12 - HG2 ARG 26 - HD3 ARG 17 lone 4 55 - 8 - HG2 ARG 26 - HD2 ARG 17 lone 4 55 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 4 53 - 8 - HG2 ARG 71 - HD2 ARG 23 lone 4 53 - 8 - HG2 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 71 - 6 - HG3 ARG 17 - HD3 ARG 26 poor 4 36 - 12 - HG3 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HG2 ARG 26 - HD2 ARG 27 poor 4 42 - 10 - HG2 ARG 26 - HD3 ARG 27 poor 4 42 - 10 - HG3 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HD2 LYS 73 - HD2 ARG 71 lone 4 86 - 5 - HD3 LYS 73 - HD2 ARG 71 lone 4 86 - 5 - HB3 LEU 62 - HD2 ARG 71 lone 4 98 - 4 - HB3 LEU 62 - HD2 ARG 26 lone 4 64 - 6 - ~5958=1 HB3 LEU 62 - HD3 ARG 26 lone 4 62 - 6 - ~5958=1 HG2 ARG 17 - HD2 ARG 27 lone 4 48 - 7 - HG2 ARG 17 - HD3 ARG 27 lone 4 48 - 7 - HG2 ARG 17 - HD2 ARG 23 lone 3 55 - 6 - HG2 ARG 17 - HD3 ARG 23 lone 3 55 - 6 - HG3 ARG 17 - HD3 ARG 27 lone 3 46 - 7 - HG3 ARG 17 - HD2 ARG 27 lone 3 46 - 7 - HG3 ARG 17 - HD3 ARG 23 lone 3 53 - 6 - HG3 ARG 17 - HD2 ARG 23 lone 3 53 - 6 - HB2 LEU 86 - HD2 ARG 17 lone 3 72 - 4 - HB2 LEU 86 - HD3 ARG 17 lone 3 72 - 4 - HB3 LEU 62 - HD2 ARG 84 lone 3 100 - 3 - HB3 LEU 62 - HD3 ARG 84 lone 3 100 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 89 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 89 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 88 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 88 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 89 - 3 - HD2 LYS 32 - HD3 ARG 84 lone 3 88 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 93 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 93 - 3 - HD2 LYS 39 - HD2 ARG 23 lone 3 82 - 3 - HD2 LYS 39 - HD3 ARG 23 lone 3 82 - 3 - HD3 LYS 39 - HD3 ARG 23 lone 3 80 - 3 - HD3 LYS 39 - HD2 ARG 23 lone 3 80 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 85 - 3 - HD3 LYS 32 - HD3 ARG 84 lone 3 85 - 3 - HG2 ARG 84 - HD2 ARG 26 lone 3 65 - 4 - HG3 ARG 84 - HD2 ARG 26 lone 3 65 - 4 - HG2 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 63 - 4 - HG LEU 86 - HD2 ARG 84 lone 2 100 - 2 - HG LEU 86 - HD3 ARG 84 lone 2 100 - 2 - HB3 LEU 29 - HD2 ARG 71 lone 2 92 - 2 - HG3 ARG 70 - HD2 ARG 84 lone 2 85 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 85 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 81 - 3 - HB2 LEU 86 - HD3 ARG 84 lone 2 80 - 3 - HG LEU 62 - HD2 ARG 71 lone 2 63 - 3 - HG2 ARG 84 - HD2 ARG 23 lone 2 87 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 87 - 2 - HG3 ARG 84 - HD3 ARG 23 lone 2 87 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 87 - 2 - HG LEU 86 - HD2 ARG 71 lone 2 98 - 2 - HG LEU 62 - HD2 ARG 26 lone 2 36 - 6 - ~5958=1 HB3 LEU 29 - HD2 ARG 82 lone 2 91 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 76 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 76 - 2 - HG2 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HG LEU 62 - HD3 ARG 26 lone 2 34 - 5 - ~5958=1 HG2 ARG 26 - HD3 ARG 84 lone 2 63 - 3 - HG LEU 86 - HD2 ARG 26 lone 2 64 - 3 - HD2 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HD2 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD3 ARG 84 lone 2 96 - 2 - HB3 LEU 29 - HD2 ARG 26 lone 2 57 - 3 - HG3 ARG 70 - HD2 ARG 26 lone 2 49 - 3 - HG2 ARG 26 - HD3 ARG 23 lone 2 48 - 3 - HG2 ARG 26 - HD2 ARG 23 lone 2 48 - 3 - HD2 LYS 32 - HD3 ARG 17 lone 2 80 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 80 - 2 - HB3 LEU 29 - HD3 ARG 26 lone 2 55 - 3 - HG3 ARG 84 - HD3 ARG 27 lone 2 78 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 2 78 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 2 78 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 2 78 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 65 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 65 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 62 - 3 - HB2 LEU 86 - HD2 ARG 71 lone 2 78 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 76 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 76 - 2 - HB3 LEU 62 - HD3 ARG 23 lone 1 86 - 2 - HB3 LEU 62 - HD2 ARG 23 lone 1 86 - 2 - HB3 LEU 29 - HD2 ARG 23 lone 1 78 - 2 - HB3 LEU 29 - HD3 ARG 23 lone 1 78 - 2 - HG3 ARG 54 - HD2 ARG 82 lone 1 85 - 2 - HG3 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HD2 LYS 32 - HD2 ARG 26 lone 1 52 - 3 - HB3 LEU 62 - HD2 ARG 17 lone 1 93 - 1 - HB3 LEU 62 - HD3 ARG 17 lone 1 93 - 1 - HG3 ARG 54 - HD2 ARG 84 lone 1 89 - 1 - HG3 ARG 54 - HD3 ARG 84 lone 1 88 - 1 - HD2 LYS 32 - HD3 ARG 26 lone 1 50 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 1 49 - 3 - HB3 LEU 51 - HD2 ARG 84 lone 1 99 - 1 - HG3 ARG 70 - HD3 ARG 26 lone 1 47 - 3 - HB3 LEU 51 - HD3 ARG 84 lone 1 99 - 1 - HD3 LYS 32 - HD3 ARG 26 lone 1 47 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 1 46 - 3 - HD3 LYS 73 - HD3 ARG 17 lone 1 80 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 80 - 1 - HD3 LYS 73 - HD2 ARG 17 lone 1 80 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 80 - 1 - HB2 LEU 86 - HD3 ARG 26 lone 1 44 - 3 - HG LEU 86 - HD3 ARG 23 lone 1 86 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 86 - 1 - HD2 LYS 39 - HD2 ARG 82 lone 1 94 - 1 - HB3 LEU 29 - HD2 ARG 17 lone 1 86 - 1 - HB3 LEU 29 - HD3 ARG 17 lone 1 86 - 1 - HD3 LYS 39 - HD2 ARG 82 lone 1 93 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 77 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 77 - 1 - HG3 ARG 70 - HD2 ARG 27 lone 1 60 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 60 - 2 - HD2 LYS 39 - HD2 ARG 71 lone 1 95 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 64 - 1 - HB2 LEU 86 - HD3 ARG 23 lone 1 64 - 1 - HD3 LYS 39 - HD2 ARG 71 lone 1 94 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 98 - 1 - HB3 LEU 62 - HD3 ARG 27 lone 1 77 - 1 - HB3 LEU 62 - HD2 ARG 27 lone 1 77 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 85 - 1 - HG3 ARG 54 - HD2 ARG 71 lone 1 86 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 63 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 63 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 81 - 1 - HB2 LEU 86 - HD2 ARG 27 lone 1 56 - 1 - HB2 LEU 86 - HD3 ARG 27 lone 1 56 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 60 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 60 - 1 - HB3 LEU 29 - HD3 ARG 27 lone 1 69 - 1 - HB3 LEU 29 - HD2 ARG 27 lone 1 69 - 1 - HG LEU 62 - HD3 ARG 23 lone 1 50 - 1 - HG LEU 62 - HD2 ARG 23 lone 1 50 - 1 - HD3 LYS 73 - HD2 ARG 26 lone 1 52 - 1 - HD2 LYS 73 - HD2 ARG 26 lone 1 52 - 1 - HD2 LYS 39 - HD2 ARG 17 lone 1 90 - 1 - HD2 LYS 39 - HD3 ARG 17 lone 1 90 - 1 - HD3 LYS 39 - HD3 ARG 17 lone 1 89 - 1 - HD3 LYS 39 - HD2 ARG 17 lone 1 89 - 1 - HG LEU 62 - HD3 ARG 17 lone 1 57 - 1 - HG LEU 62 - HD2 ARG 17 lone 1 57 - 1 - HD3 LYS 73 - HD3 ARG 26 lone 1 50 - 1 - HD2 LYS 73 - HD3 ARG 26 lone 1 50 - 1 - HG3 ARG 54 - HD3 ARG 23 lone 1 71 - 1 - HG3 ARG 54 - HD2 ARG 23 lone 1 71 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 71 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 71 - 1 - HB3 LEU 62 - HD2 ARG 82 lone 1 97 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 93 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 93 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 1 97 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 67 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 71 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 71 - 1 - HG3 ARG 70 - HD2 ARG 82 lone 1 81 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 68 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 68 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 97 - 0 - HB3 LEU 51 - HD2 ARG 23 lone 0 85 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 0 85 - 1 - HD2 LYS 39 - HD2 ARG 27 lone 1 73 - 1 - HD2 LYS 39 - HD3 ARG 27 lone 1 73 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 68 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 68 - 1 - HD3 LYS 39 - HD2 ARG 27 lone 0 72 - 1 - HD3 LYS 39 - HD3 ARG 27 lone 0 72 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 0 64 - 1 - HG3 ARG 54 - HD2 ARG 17 lone 0 80 - 1 - HG3 ARG 54 - HD3 ARG 17 lone 0 80 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 0 61 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 0 63 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 0 63 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 0 63 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 0 63 - 1 - HD2 LYS 39 - HD2 ARG 26 lone 0 61 - 1 - HD3 LYS 39 - HD2 ARG 26 lone 0 60 - 1 - HD2 LYS 39 - HD3 ARG 26 lone 0 58 - 1 - HG LEU 62 - HD2 ARG 27 lone 0 44 - 1 - HG LEU 62 - HD3 ARG 27 lone 0 44 - 1 - HD3 LYS 39 - HD3 ARG 26 lone 0 57 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 59 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 76 - 0 - HG3 ARG 54 - HD2 ARG 26 lone 0 52 - 1 - HB3 LEU 51 - HD3 ARG 27 lone 0 76 - 0 - HB3 LEU 51 - HD2 ARG 27 lone 0 76 - 0 - HG3 ARG 54 - HD3 ARG 26 lone 0 50 - 1 - HG LEU 62 - HD2 ARG 82 lone 0 62 - 0 - HG3 ARG 54 - HD2 ARG 27 lone 0 63 - 0 - HG3 ARG 54 - HD3 ARG 27 lone 0 63 - 0 - Peak 3413 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 10 out of 12 assignments used, quality = 1.00: * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 82 + HD2 ARG 82 OK 98 98 - 100 HD2 ARG 71 + HD2 ARG 71 OK 97 97 - 100 HD3 ARG 17 + HD3 ARG 17 OK 86 86 - 100 HD2 ARG 17 + HD2 ARG 17 OK 86 86 - 100 HD2 ARG 23 + HD2 ARG 23 OK 70 70 - 100 HD3 ARG 23 + HD3 ARG 23 OK 70 70 - 100 HD2 ARG 27 + HD2 ARG 27 OK 54 54 - 100 HD3 ARG 27 + HD3 ARG 27 OK 54 54 - 100 HD2 ARG 26 - HD2 ARG 26 OK 36 36 - 100 HD3 ARG 26 - HD3 ARG 26 OK 32 32 - 100 Peak 3414 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 10 out of 12 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 HD2 ARG 82 + HD2 ARG 82 OK 98 98 - 100 HD2 ARG 71 + HD2 ARG 71 OK 96 96 - 100 HD3 ARG 17 + HD3 ARG 17 OK 89 89 - 100 HD2 ARG 17 + HD2 ARG 17 OK 89 89 - 100 HD2 ARG 23 + HD2 ARG 23 OK 73 73 - 100 HD3 ARG 23 + HD3 ARG 23 OK 73 73 - 100 HD2 ARG 27 + HD2 ARG 27 OK 58 58 - 100 HD3 ARG 27 + HD3 ARG 27 OK 58 58 - 100 HD2 ARG 26 - HD2 ARG 26 OK 39 39 - 100 HD3 ARG 26 - HD3 ARG 26 OK 36 36 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 3417 from cnoeabs.peaks (1.73, 3.15, 43.10 ppm; 3.02 A): 7 out of 132 assignments used, quality = 1.00: * HB2 ARG 84 + HD3 ARG 84 OK 77 100 - 78 - 3.5=64, 1.8/3410=6...(14) HB2 ARG 84 + HD2 ARG 84 OK 77 100 - 78 - 3.5=64, 1.8/3410=6...(14) HG3 ARG 71 + HD2 ARG 71 OK 67 67 - 100 - 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 62 82 - 75 - 3.6=59, 1167/3.0=4...(15) HB3 ARG 17 + HD3 ARG 17 OK 62 82 - 75 - 3.6=59, 1167/3.0=4...(15) HG3 ARG 26 + HD2 ARG 26 OK 48 48 - 100 - 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 46 46 - 100 - 3.0=100 HG3 ARG 26 - HD2 ARG 71 OK 17 74 - 23 - 1394/3.0=3, 1391/4.7=2...(10) HB3 ARG 17 - HD2 ARG 71 OK 14 84 - 17 - 1164/3.5=1, 1164/3.5=1...(4) HG3 ARG 71 - HD3 ARG 17 OK 13 65 - 21 - 2934=2, 2934/1.8=2...(8) HG3 ARG 71 - HD2 ARG 17 OK 13 65 - 21 - 2934=2, 2934/1.8=2...(8) HG2 ARG 70 - HD2 ARG 71 OK 12 83 - 15 - 307/5.8=2, 2869/3.0=2...(4) HG3 ARG 71 - HD2 ARG 26 OK 12 43 - 28 - 2932/3.0=2, 2935/1.8=2...(6) HG3 ARG 71 - HD3 ARG 26 OK 11 41 - 28 - 2932/3.0=2, 2929/4.8=2...(6) HB3 LEU 64 - HD2 ARG 23 OK 11 49 - 22 - 3.1/5019=2, 2630/2.9=2...(8) HB3 LEU 64 - HD3 ARG 23 OK 11 49 - 22 - 3.1/5019=2, 2630/2.9=2...(8) HB2 ARG 84 - HD3 ARG 17 lone 9 97 - 10 - HB2 ARG 84 - HD2 ARG 17 lone 9 97 - 10 - HB3 ARG 17 - HD2 ARG 27 poor 9 68 - 14 - HB3 ARG 17 - HD3 ARG 27 poor 9 68 - 14 - HB2 LEU 29 - HD3 ARG 84 lone 9 97 - 9 - 1486/2.9=1, 1486/2.9=1 HB2 LEU 29 - HD2 ARG 84 lone 9 97 - 9 - 1486/2.9=1, 1486/2.9=1 HB3 ARG 17 - HD2 ARG 26 poor 9 57 - 16 - HB3 ARG 17 - HD2 ARG 84 lone 9 88 - 10 - HB3 ARG 17 - HD3 ARG 84 lone 9 89 - 10 - HB3 LYS 85 - HD2 ARG 84 lone 8 100 - 9 - 3385/3.5=2, 6062/5.1=1 HB3 LYS 85 - HD3 ARG 84 lone 8 100 - 9 - 3385/3.5=2, 6062/5.1=1 HB3 ARG 17 - HD3 ARG 26 poor 8 54 - 16 - HG3 ARG 26 - HD2 ARG 27 poor 8 58 - 15 - 1394/3.0=2, 1394/3.0=1...(4) HG3 ARG 26 - HD3 ARG 27 poor 8 58 - 15 - 1394/3.0=2, 1394/3.0=1...(4) HG3 ARG 26 - HD3 ARG 17 poor 8 72 - 11 - 1394/3.0=1, 1394/3.0=1 HG3 ARG 26 - HD2 ARG 17 poor 8 72 - 11 - 1394/3.0=1, 1394/3.0=1 HG3 ARG 71 - HD3 ARG 27 poor 7 52 - 13 - HG3 ARG 71 - HD2 ARG 27 poor 7 52 - 13 - HG3 ARG 71 - HD2 ARG 84 lone 6 71 - 9 - HG3 ARG 71 - HD3 ARG 84 lone 6 71 - 9 - HB3 ARG 17 - HD3 ARG 23 lone 6 75 - 8 - HB3 ARG 17 - HD2 ARG 23 lone 6 75 - 8 - HB2 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HB3 LYS 83 - HD3 ARG 84 lone 6 98 - 6 - 4.3/5915=1, 3385/3.5=1 HB3 LYS 83 - HD2 ARG 84 lone 6 98 - 6 - 4.3/5915=1, 3385/3.5=1 HG3 ARG 71 - HD3 ARG 23 lone 6 58 - 10 - HG3 ARG 71 - HD2 ARG 23 lone 6 58 - 10 - HB2 LEU 29 - HD2 ARG 71 lone 5 94 - 5 - 5348/4.7=2 HB3 LEU 64 - HD2 ARG 82 lone 4 56 - 7 - 2630/3.0=1 HG2 ARG 70 - HD2 ARG 84 lone 4 87 - 4 - HG2 ARG 70 - HD3 ARG 84 lone 4 87 - 4 - HB3 LEU 64 - HD3 ARG 17 lone 4 54 - 7 - HB3 LEU 64 - HD2 ARG 17 lone 4 54 - 7 - HB2 LEU 62 - HD2 ARG 26 lone 4 52 - 7 - ~5958=1 HB2 LEU 62 - HD3 ARG 26 lone 4 50 - 7 - ~5958=1 HB2 ARG 84 - HD2 ARG 26 lone 3 71 - 5 - HB2 LEU 62 - HD2 ARG 71 lone 3 78 - 4 - HB2 ARG 84 - HD3 ARG 26 lone 3 68 - 5 - HG2 ARG 70 - HD2 ARG 17 lone 3 80 - 4 - HG2 ARG 70 - HD3 ARG 17 lone 3 80 - 4 - HG2 ARG 70 - HD2 ARG 26 lone 3 55 - 6 - HB2 LEU 62 - HD2 ARG 84 lone 3 83 - 4 - HB2 LEU 62 - HD3 ARG 84 lone 3 83 - 3 - HB2 LEU 29 - HD2 ARG 26 lone 3 66 - 4 - 5348/4.8=2 HG3 ARG 26 - HD2 ARG 84 lone 3 78 - 3 - HG3 ARG 26 - HD3 ARG 84 lone 3 78 - 3 - HB2 LEU 29 - HD2 ARG 82 lone 3 94 - 3 - HG3 ARG 26 - HD3 ARG 23 lone 3 65 - 4 - HG3 ARG 26 - HD2 ARG 23 lone 3 65 - 4 - HB2 ARG 84 - HD2 ARG 23 lone 3 90 - 3 - HB2 ARG 84 - HD3 ARG 23 lone 3 90 - 3 - HB2 LEU 29 - HD3 ARG 26 lone 3 63 - 4 - 5348/4.8=2 HG2 ARG 70 - HD3 ARG 26 lone 3 53 - 5 - HB2 ARG 84 - HD3 ARG 27 lone 3 83 - 3 - HB2 ARG 84 - HD2 ARG 27 lone 3 83 - 3 - HB3 LYS 83 - HD2 ARG 82 lone 2 95 - 2 - HB2 LEU 43 - HD2 ARG 84 lone 2 100 - 2 - HB2 LEU 43 - HD3 ARG 84 lone 2 100 - 2 - HB2 ARG 84 - HD2 ARG 82 lone 2 98 - 2 - HB3 LEU 64 - HD3 ARG 27 lone 2 43 - 5 - HB3 LEU 64 - HD2 ARG 27 lone 2 43 - 5 - HB2 LEU 29 - HD3 ARG 23 lone 2 85 - 2 - HB2 LEU 29 - HD2 ARG 23 lone 2 85 - 2 - HB3 LYS 85 - HD2 ARG 71 lone 2 98 - 2 - HB2 LEU 43 - HD2 ARG 71 lone 2 98 - 2 - HB2 LEU 62 - HD2 ARG 17 lone 2 76 - 2 - HB2 LEU 62 - HD3 ARG 17 lone 2 76 - 2 - HG2 ARG 70 - HD3 ARG 27 lone 2 66 - 2 - HG2 ARG 70 - HD2 ARG 27 lone 2 66 - 2 - HB2 LEU 29 - HD3 ARG 17 lone 2 92 - 2 - HB2 LEU 29 - HD2 ARG 17 lone 2 92 - 2 - HB3 LYS 85 - HD3 ARG 17 lone 1 96 - 1 - HB3 LYS 85 - HD2 ARG 17 lone 1 96 - 1 - HB2 LEU 62 - HD2 ARG 23 lone 1 69 - 2 - HB2 LEU 62 - HD3 ARG 23 lone 1 69 - 2 - HB3 LEU 64 - HD2 ARG 26 lone 1 35 - 4 - HB2 LEU 43 - HD2 ARG 26 lone 1 71 - 2 - HB3 LEU 64 - HD3 ARG 26 lone 1 34 - 4 - HB3 LYS 85 - HD2 ARG 82 lone 1 98 - 1 - HB2 LEU 43 - HD3 ARG 26 lone 1 68 - 2 - HB3 LEU 64 - HD2 ARG 71 lone 1 56 - 2 - HB3 LYS 83 - HD2 ARG 71 lone 1 95 - 1 - HB3 LYS 83 - HD2 ARG 17 lone 1 93 - 1 - HB3 LYS 83 - HD3 ARG 17 lone 1 93 - 1 - HB2 LEU 29 - HD3 ARG 27 lone 1 77 - 1 - HB2 LEU 29 - HD2 ARG 27 lone 1 77 - 1 - HB3 LEU 64 - HD3 ARG 84 lone 1 60 - 2 - HB3 LEU 64 - HD2 ARG 84 lone 1 60 - 2 - HB2 LEU 43 - HD3 ARG 23 lone 1 90 - 1 - HB2 LEU 43 - HD2 ARG 23 lone 1 90 - 1 - HB2 LEU 43 - HD3 ARG 17 lone 1 96 - 1 - HB2 LEU 43 - HD2 ARG 17 lone 1 96 - 1 - HB2 LEU 62 - HD3 ARG 27 lone 1 62 - 1 - HB2 LEU 62 - HD2 ARG 27 lone 1 62 - 1 - HB3 ARG 17 - HD2 ARG 82 lone 1 85 - 1 - HG3 ARG 71 - HD2 ARG 82 lone 1 67 - 1 - HB2 LEU 43 - HD3 ARG 27 lone 1 83 - 1 - HB2 LEU 43 - HD2 ARG 27 lone 1 83 - 1 - HB2 LEU 43 - HD2 ARG 82 lone 1 98 - 1 - HG2 ARG 70 - HD3 ARG 23 lone 1 73 - 1 - HG2 ARG 70 - HD2 ARG 23 lone 1 73 - 1 - HB3 LYS 83 - HD3 ARG 23 lone 1 86 - 1 - HB3 LYS 83 - HD2 ARG 23 lone 1 86 - 1 - HB3 LYS 85 - HD2 ARG 23 lone 1 90 - 1 - HB3 LYS 85 - HD3 ARG 23 lone 1 90 - 1 - HB3 LYS 85 - HD2 ARG 26 lone 1 70 - 1 - HB3 LYS 85 - HD3 ARG 27 lone 1 82 - 1 - HB3 LYS 85 - HD2 ARG 27 lone 1 82 - 1 - HB3 LYS 85 - HD3 ARG 26 lone 1 67 - 1 - HG2 ARG 70 - HD2 ARG 82 lone 1 83 - 1 - HB3 LYS 83 - HD2 ARG 26 lone 1 67 - 1 - HB3 LYS 83 - HD3 ARG 26 lone 1 64 - 1 - HB3 LYS 83 - HD3 ARG 27 lone 0 78 - 1 - HB3 LYS 83 - HD2 ARG 27 lone 0 78 - 1 - HG3 ARG 26 - HD2 ARG 82 lone 0 74 - 1 - HB2 LEU 62 - HD2 ARG 82 lone 0 79 - 0 - Peak 3418 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.03 A): 2 out of 156 assignments used, quality = 0.96: HB3 ARG 84 + HD2 ARG 84 OK 79 100 - 79 - 3.5=65, 3394/2.9=5...(18) * HB3 ARG 84 + HD3 ARG 84 OK 79 100 - 79 - 3.5=65, 3394/2.9=5...(18) HB3 ARG 84 - HD2 ARG 17 OK 10 97 - 11 - 3390=1 HB3 ARG 84 - HD3 ARG 17 OK 10 97 - 11 - 3390=1 HB2 LYS 85 - HD2 ARG 84 lone 7 100 - 7 - 3378/3.5=2 HB2 LYS 85 - HD3 ARG 84 lone 7 100 - 7 - 3378/3.5=2 HB2 LYS 73 - HD3 ARG 84 lone 7 83 - 8 - 3378/3.5=1 HB2 LYS 73 - HD2 ARG 84 lone 7 83 - 8 - 3378/3.5=1 HB3 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HB2 PRO 34 - HD2 ARG 71 lone 6 72 - 8 - HB3 LYS 32 - HD2 ARG 71 lone 5 56 - 9 - HB2 LYS 32 - HD2 ARG 71 lone 5 56 - 9 - HB3 LYS 73 - HD3 ARG 84 lone 5 71 - 7 - 3378/3.5=1 HB3 LYS 73 - HD2 ARG 84 lone 5 71 - 7 - 3378/3.5=1 HB3 LYS 39 - HD3 ARG 23 lone 5 69 - 7 - HB3 LYS 39 - HD2 ARG 23 lone 5 69 - 7 - HB2 PRO 34 - HD2 ARG 26 lone 4 46 - 10 - HB2 PRO 34 - HD3 ARG 26 lone 4 44 - 10 - HB ILE 89 - HD3 ARG 84 lone 4 81 - 5 - HB ILE 89 - HD2 ARG 84 lone 4 80 - 5 - HB2 LYS 83 - HD3 ARG 84 lone 4 81 - 5 - 4.3/5915=1 HB2 LYS 83 - HD2 ARG 84 lone 4 80 - 5 - 4.3/5915=1 HB3 ARG 84 - HD2 ARG 26 lone 4 71 - 5 - HB3 ARG 84 - HD3 ARG 26 lone 4 68 - 5 - HB2 LYS 73 - HD2 ARG 71 lone 3 78 - 4 - HB3 LYS 32 - HD3 ARG 84 lone 3 60 - 5 - HB2 LYS 32 - HD3 ARG 84 lone 3 60 - 5 - HB3 LYS 32 - HD2 ARG 84 lone 3 60 - 6 - HB2 LYS 32 - HD2 ARG 84 lone 3 60 - 6 - HB3 LYS 39 - HD3 ARG 84 lone 3 83 - 4 - HB3 LYS 39 - HD2 ARG 84 lone 3 83 - 4 - HB3 ARG 84 - HD3 ARG 23 lone 3 90 - 3 - HB3 ARG 84 - HD2 ARG 23 lone 3 90 - 3 - HB3 LYS 73 - HD2 ARG 71 lone 3 67 - 4 - HB3 ARG 84 - HD3 ARG 27 lone 3 83 - 3 - HB3 ARG 84 - HD2 ARG 27 lone 3 83 - 3 - HB3 ARG 84 - HD2 ARG 82 lone 2 98 - 2 - HB3 LYS 75 - HD2 ARG 23 lone 2 78 - 3 - HB3 LYS 75 - HD3 ARG 23 lone 2 78 - 3 - HB3 LYS 75 - HD2 ARG 71 lone 2 88 - 2 - HB3 LYS 75 - HD3 ARG 84 lone 2 92 - 2 - HB3 LYS 75 - HD2 ARG 84 lone 2 92 - 2 - HB2 LYS 32 - HD3 ARG 17 lone 2 54 - 3 - HB3 LYS 32 - HD2 ARG 17 lone 2 54 - 3 - HB2 LYS 32 - HD2 ARG 17 lone 2 54 - 3 - HB3 LYS 32 - HD3 ARG 17 lone 2 54 - 3 - HB2 LYS 73 - HD2 ARG 82 lone 2 79 - 2 - HB2 LYS 73 - HD2 ARG 17 lone 2 76 - 2 - HB2 LYS 73 - HD3 ARG 17 lone 2 76 - 2 - HB2 LYS 85 - HD2 ARG 71 lone 2 98 - 2 - HB3 LYS 73 - HD3 ARG 17 lone 1 65 - 2 - HB3 LYS 73 - HD2 ARG 17 lone 1 65 - 2 - HB2 LYS 85 - HD2 ARG 17 lone 1 97 - 1 - HB2 LYS 85 - HD3 ARG 17 lone 1 97 - 1 - HB3 LYS 39 - HD2 ARG 82 lone 1 79 - 2 - HB ILE 89 - HD2 ARG 27 lone 1 60 - 2 - HB ILE 89 - HD3 ARG 27 lone 1 60 - 2 - HB3 LYS 32 - HD2 ARG 26 lone 1 35 - 4 - HB2 LYS 32 - HD2 ARG 26 lone 1 35 - 4 - HB2 PRO 34 - HD2 ARG 82 lone 1 72 - 2 - HB3 LYS 32 - HD3 ARG 26 lone 1 34 - 4 - HB2 LYS 32 - HD3 ARG 26 lone 1 34 - 4 - HB2 LYS 83 - HD2 ARG 82 lone 1 76 - 2 - HB3 LYS 73 - HD2 ARG 82 lone 1 67 - 2 - HB2 PRO 34 - HD3 ARG 27 lone 1 56 - 2 - HB2 PRO 34 - HD2 ARG 27 lone 1 56 - 2 - HB2 ARG 69 - HD3 ARG 84 lone 1 100 - 1 - HB2 ARG 69 - HD2 ARG 84 lone 1 100 - 1 - HB3 LYS 39 - HD2 ARG 71 lone 1 78 - 1 - HB2 LYS 13 - HD3 ARG 84 lone 1 95 - 1 - HB2 LYS 13 - HD2 ARG 84 lone 1 94 - 1 - HB2 PRO 34 - HD3 ARG 84 lone 1 76 - 1 - HB2 PRO 34 - HD2 ARG 84 lone 1 76 - 1 - HB ILE 89 - HD2 ARG 17 lone 1 74 - 1 - HB ILE 89 - HD3 ARG 17 lone 1 74 - 1 - HB2 LYS 13 - HD2 ARG 23 lone 1 81 - 1 - HB2 LYS 13 - HD3 ARG 23 lone 1 81 - 1 - HB3 LYS 39 - HD2 ARG 17 lone 1 76 - 1 - HB3 LYS 39 - HD3 ARG 17 lone 1 76 - 1 - HB2 LYS 73 - HD2 ARG 23 lone 1 69 - 1 - HB2 LYS 73 - HD3 ARG 23 lone 1 69 - 1 - HB2 LYS 85 - HD2 ARG 82 lone 1 98 - 1 - HB2 LYS 32 - HD2 ARG 82 lone 1 56 - 1 - HB3 LYS 32 - HD2 ARG 82 lone 1 56 - 1 - HB3 LYS 73 - HD2 ARG 23 lone 1 58 - 1 - HB3 LYS 73 - HD3 ARG 23 lone 1 58 - 1 - HB3 LYS 32 - HD2 ARG 27 lone 1 43 - 2 - HB2 LYS 32 - HD3 ARG 27 lone 1 43 - 2 - HB3 LYS 32 - HD3 ARG 27 lone 1 43 - 2 - HB2 LYS 32 - HD2 ARG 27 lone 1 43 - 2 - HB2 LYS 83 - HD2 ARG 17 lone 1 74 - 1 - HB2 LYS 83 - HD3 ARG 17 lone 1 74 - 1 - HB3 LYS 75 - HD2 ARG 17 lone 1 86 - 1 - HB3 LYS 75 - HD3 ARG 17 lone 1 86 - 1 - HB ILE 89 - HD2 ARG 26 lone 1 50 - 2 - HB ILE 89 - HD2 ARG 82 lone 1 76 - 1 - HB2 LYS 83 - HD2 ARG 71 lone 1 76 - 1 - HB2 LYS 73 - HD2 ARG 26 lone 1 52 - 1 - HB ILE 89 - HD3 ARG 26 lone 1 48 - 1 - HB ILE 89 - HD2 ARG 71 lone 1 76 - 1 - HB3 LYS 75 - HD2 ARG 82 lone 1 88 - 1 - HB2 PRO 34 - HD3 ARG 23 lone 1 63 - 1 - HB2 PRO 34 - HD2 ARG 23 lone 1 63 - 1 - HB2 LYS 13 - HD2 ARG 82 lone 1 91 - 1 - HB2 LYS 73 - HD3 ARG 26 lone 1 50 - 1 - HB ILE 89 - HD3 ARG 23 lone 1 67 - 1 - HB ILE 89 - HD2 ARG 23 lone 1 67 - 1 - HB3 LYS 39 - HD3 ARG 27 lone 1 62 - 1 - HB3 LYS 39 - HD2 ARG 27 lone 1 62 - 1 - HB2 LYS 13 - HD2 ARG 71 lone 1 91 - 1 - HB2 ARG 69 - HD2 ARG 71 lone 1 98 - 1 - HB2 PRO 34 - HD3 ARG 17 lone 1 70 - 1 - HB2 PRO 34 - HD2 ARG 17 lone 1 70 - 1 - HB2 LYS 85 - HD2 ARG 23 lone 1 90 - 1 - HB2 LYS 85 - HD3 ARG 23 lone 1 90 - 1 - HB2 LYS 73 - HD2 ARG 27 lone 1 62 - 1 - HB2 LYS 73 - HD3 ARG 27 lone 1 62 - 1 - HB2 LYS 85 - HD2 ARG 26 lone 1 71 - 1 - HB2 LYS 85 - HD3 ARG 27 lone 1 83 - 1 - HB2 LYS 85 - HD2 ARG 27 lone 1 83 - 1 - HB2 LYS 85 - HD3 ARG 26 lone 1 68 - 1 - HB3 LYS 73 - HD2 ARG 26 lone 1 43 - 1 - HB3 LYS 75 - HD3 ARG 27 lone 1 71 - 1 - HB3 LYS 75 - HD2 ARG 27 lone 1 71 - 1 - HB2 LYS 13 - HD3 ARG 17 lone 0 89 - 1 - HB2 LYS 13 - HD2 ARG 17 lone 0 89 - 1 - HB3 LYS 73 - HD3 ARG 26 lone 1 41 - 1 - HB2 LYS 83 - HD3 ARG 23 lone 0 67 - 1 - HB2 LYS 83 - HD2 ARG 23 lone 0 67 - 1 - HB3 LYS 39 - HD2 ARG 26 lone 0 52 - 1 - HB2 ARG 69 - HD2 ARG 17 lone 0 97 - 0 - HB2 ARG 69 - HD3 ARG 17 lone 0 97 - 0 - HB3 LYS 39 - HD3 ARG 26 lone 0 50 - 1 - HB3 LYS 32 - HD2 ARG 23 lone 0 49 - 1 - HB3 LYS 32 - HD3 ARG 23 lone 0 49 - 1 - HB2 LYS 32 - HD2 ARG 23 lone 0 49 - 1 - HB2 LYS 32 - HD3 ARG 23 lone 0 49 - 1 - HB2 ARG 69 - HD2 ARG 82 lone 0 98 - 0 - HB3 LYS 73 - HD3 ARG 27 lone 0 52 - 1 - HB3 LYS 73 - HD2 ARG 27 lone 0 52 - 1 - HB2 ARG 69 - HD2 ARG 23 lone 0 90 - 0 - HB2 ARG 69 - HD3 ARG 23 lone 0 90 - 0 - HB2 LYS 13 - HD2 ARG 27 lone 0 74 - 1 - HB2 LYS 13 - HD3 ARG 27 lone 0 74 - 1 - HB2 LYS 83 - HD3 ARG 27 lone 0 60 - 1 - HB2 LYS 83 - HD2 ARG 27 lone 0 60 - 1 - HB2 LYS 13 - HD2 ARG 26 lone 0 62 - 1 - HB2 LYS 83 - HD2 ARG 26 lone 0 50 - 1 - HB2 LYS 13 - HD3 ARG 26 lone 0 60 - 1 - HB2 ARG 69 - HD3 ARG 27 lone 0 83 - 0 - HB2 ARG 69 - HD2 ARG 27 lone 0 83 - 0 - HB2 LYS 83 - HD3 ARG 26 lone 0 48 - 1 - HB3 LYS 75 - HD2 ARG 26 lone 0 60 - 1 - HB2 ARG 69 - HD2 ARG 26 lone 0 71 - 0 - HB3 LYS 75 - HD3 ARG 26 lone 0 57 - 1 - HB2 ARG 69 - HD3 ARG 26 lone 0 68 - 0 - Peak 3419 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 9 out of 240 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3379/3.5=4...(11) HG3 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3379/3.5=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 17 + HD2 ARG 17 OK 59 65 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 59 65 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 57 64 - 89 - 3.0=87, 3.8/2902=2...(5) HG3 ARG 17 + HD3 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1160=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 26 - HD2 ARG 26 OK 34 37 - 92 - 3.0=91 HG2 ARG 26 - HD3 ARG 26 OK 33 36 - 92 - 3.0=91 HG2 ARG 71 - HD3 ARG 17 OK 10 62 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 71 - HD2 ARG 17 OK 10 62 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 26 - HD2 ARG 71 poor 10 59 - 17 - ~1394=1, 3.7/2937=1, 2932/3.0=1 HG2 ARG 17 - HD2 ARG 71 poor 9 67 - 14 - 2878/1.8=1 HG2 ARG 71 - HD2 ARG 26 poor 9 41 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG3 ARG 17 - HD2 ARG 71 poor 9 64 - 14 - HG3 ARG 70 - HD2 ARG 71 poor 9 81 - 11 - 5.0/6137=1, ~2870=1, ~2871=1 HG2 ARG 71 - HD3 ARG 26 poor 9 39 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG3 ARG 84 - HD3 ARG 17 lone 7 97 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 7 97 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 7 97 - 7 - HG2 ARG 84 - HD3 ARG 17 lone 7 97 - 7 - HD2 LYS 32 - HD2 ARG 71 lone 7 84 - 8 - HB3 LEU 29 - HD3 ARG 84 lone 7 95 - 7 - HB3 LEU 29 - HD2 ARG 84 lone 6 94 - 7 - HD3 LYS 32 - HD2 ARG 71 lone 6 81 - 8 - HG3 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HG2 ARG 71 - HD2 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 71 - HD3 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 17 - HD2 ARG 26 poor 5 43 - 13 - HG3 ARG 17 - HD2 ARG 26 poor 5 41 - 13 - HG2 ARG 17 - HD3 ARG 26 poor 5 41 - 12 - HG2 ARG 71 - HD3 ARG 27 poor 5 50 - 10 - HG2 ARG 71 - HD2 ARG 27 poor 5 50 - 10 - HG3 ARG 17 - HD3 ARG 26 poor 5 39 - 12 - HG2 ARG 71 - HD2 ARG 23 lone 5 56 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 5 56 - 8 - HG2 ARG 26 - HD3 ARG 17 lone 5 57 - 8 - HG2 ARG 26 - HD2 ARG 17 lone 5 57 - 8 - HG2 ARG 26 - HD3 ARG 27 poor 5 45 - 10 - HG2 ARG 26 - HD2 ARG 27 poor 5 45 - 10 - HG2 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 71 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HB3 LEU 62 - HD2 ARG 26 lone 4 70 - 6 - ~5958=1 HG3 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HB3 LEU 62 - HD3 ARG 26 lone 4 67 - 6 - ~5958=1 HD3 LYS 73 - HD2 ARG 71 lone 4 84 - 5 - HD2 LYS 73 - HD2 ARG 71 lone 4 84 - 5 - HG2 ARG 17 - HD3 ARG 27 lone 4 52 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 4 52 - 8 - HB3 LEU 62 - HD2 ARG 71 lone 4 97 - 4 - HG2 ARG 17 - HD3 ARG 23 lone 4 58 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 4 58 - 6 - HG3 ARG 17 - HD2 ARG 27 lone 4 50 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 4 50 - 8 - HG3 ARG 17 - HD2 ARG 23 lone 4 56 - 6 - HG3 ARG 17 - HD3 ARG 23 lone 4 56 - 6 - HB2 LEU 86 - HD2 ARG 17 lone 3 74 - 4 - HB2 LEU 86 - HD3 ARG 17 lone 3 74 - 4 - HB3 LEU 62 - HD2 ARG 84 lone 3 100 - 3 - HB3 LEU 62 - HD3 ARG 84 lone 3 100 - 3 - HD2 LYS 39 - HD3 ARG 23 lone 3 85 - 3 - HD2 LYS 39 - HD2 ARG 23 lone 3 85 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 89 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 89 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 88 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 88 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 96 - 3 - HD3 LYS 39 - HD2 ARG 23 lone 3 84 - 3 - HD3 LYS 39 - HD3 ARG 23 lone 3 84 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 71 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 71 - 4 - HD2 LYS 32 - HD3 ARG 84 lone 3 89 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 88 - 3 - HG2 ARG 84 - HD3 ARG 26 lone 3 68 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 68 - 4 - HD3 LYS 32 - HD3 ARG 84 lone 3 85 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 85 - 3 - HG LEU 86 - HD3 ARG 84 lone 2 100 - 2 - HG LEU 86 - HD2 ARG 84 lone 2 100 - 2 - HB2 LEU 86 - HD3 ARG 84 lone 2 81 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 80 - 3 - HG3 ARG 70 - HD2 ARG 84 lone 2 85 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 85 - 3 - HB3 LEU 29 - HD2 ARG 71 lone 2 91 - 2 - HG LEU 62 - HD2 ARG 26 lone 2 39 - 6 - ~5958=1 HG3 ARG 84 - HD3 ARG 23 lone 2 90 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 2 90 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 90 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 90 - 2 - HG LEU 62 - HD2 ARG 71 lone 2 61 - 3 - HG LEU 62 - HD3 ARG 26 lone 2 37 - 6 - ~5958=1 HG LEU 86 - HD2 ARG 71 lone 2 97 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 78 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 78 - 2 - HB3 LEU 29 - HD2 ARG 82 lone 2 91 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 70 - 3 - HB3 LEU 29 - HD2 ARG 26 lone 2 62 - 3 - HG3 ARG 70 - HD2 ARG 26 lone 2 53 - 3 - HB3 LEU 29 - HD3 ARG 26 lone 2 60 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 63 - 3 - HG2 ARG 26 - HD3 ARG 23 lone 2 51 - 3 - HG2 ARG 26 - HD2 ARG 23 lone 2 51 - 3 - HD2 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD2 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 67 - 3 - HD3 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD2 ARG 84 lone 2 96 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 82 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 82 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 2 83 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 2 83 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 2 83 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 2 83 - 2 - HB3 LEU 62 - HD2 ARG 23 lone 2 89 - 2 - HB3 LEU 62 - HD3 ARG 23 lone 2 89 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 78 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 65 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 65 - 2 - HB3 LEU 29 - HD2 ARG 23 lone 2 81 - 2 - HB3 LEU 29 - HD3 ARG 23 lone 2 81 - 2 - HB2 LEU 86 - HD2 ARG 71 lone 2 76 - 2 - HD2 LYS 32 - HD2 ARG 26 lone 2 57 - 3 - HG3 ARG 54 - HD2 ARG 82 lone 1 85 - 2 - HD2 LYS 32 - HD3 ARG 26 lone 1 54 - 3 - HG3 ARG 70 - HD3 ARG 26 lone 1 51 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 1 53 - 3 - HB3 LEU 62 - HD3 ARG 17 lone 1 96 - 1 - HB3 LEU 62 - HD2 ARG 17 lone 1 96 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HD3 LYS 32 - HD3 ARG 26 lone 1 51 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 1 50 - 3 - HG3 ARG 54 - HD3 ARG 84 lone 1 89 - 1 - HG3 ARG 54 - HD2 ARG 84 lone 1 88 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 99 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 99 - 1 - HB2 LEU 86 - HD3 ARG 26 lone 1 48 - 3 - HD3 LYS 73 - HD2 ARG 17 lone 1 82 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 82 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 82 - 1 - HD3 LYS 73 - HD3 ARG 17 lone 1 82 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 89 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 89 - 1 - HB3 LEU 29 - HD3 ARG 17 lone 1 89 - 1 - HB3 LEU 29 - HD2 ARG 17 lone 1 89 - 1 - HD2 LYS 39 - HD2 ARG 82 lone 1 94 - 1 - HD3 LYS 39 - HD2 ARG 82 lone 1 93 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 81 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 81 - 1 - HG3 ARG 70 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 64 - 2 - HB2 LEU 86 - HD3 ARG 23 lone 1 67 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 67 - 1 - HB3 LEU 62 - HD2 ARG 27 lone 1 81 - 1 - HB3 LEU 62 - HD3 ARG 27 lone 1 81 - 1 - HD2 LYS 39 - HD2 ARG 71 lone 1 94 - 1 - HD3 LYS 39 - HD2 ARG 71 lone 1 93 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 68 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 68 - 1 - HB2 LEU 86 - HD3 ARG 27 lone 1 60 - 1 - HB2 LEU 86 - HD2 ARG 27 lone 1 60 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 85 - 1 - HD2 LYS 73 - HD2 ARG 26 lone 1 57 - 1 - HD3 LYS 73 - HD2 ARG 26 lone 1 57 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 64 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 64 - 1 - HB3 LEU 29 - HD2 ARG 27 lone 1 74 - 1 - HB3 LEU 29 - HD3 ARG 27 lone 1 74 - 1 - HG LEU 62 - HD2 ARG 23 lone 1 53 - 1 - HG LEU 62 - HD3 ARG 23 lone 1 53 - 1 - HG3 ARG 54 - HD2 ARG 71 lone 1 84 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 81 - 1 - HD2 LYS 73 - HD3 ARG 26 lone 1 54 - 1 - HD3 LYS 73 - HD3 ARG 26 lone 1 54 - 1 - HD2 LYS 39 - HD2 ARG 17 lone 1 92 - 1 - HD2 LYS 39 - HD3 ARG 17 lone 1 92 - 1 - HD3 LYS 39 - HD3 ARG 17 lone 1 91 - 1 - HD3 LYS 39 - HD2 ARG 17 lone 1 91 - 1 - HG3 ARG 54 - HD3 ARG 23 lone 1 75 - 1 - HG3 ARG 54 - HD2 ARG 23 lone 1 75 - 1 - HG LEU 62 - HD2 ARG 17 lone 1 60 - 1 - HG LEU 62 - HD3 ARG 17 lone 1 60 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 75 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 75 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 95 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 95 - 1 - HB3 LEU 62 - HD2 ARG 82 lone 1 97 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 1 97 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 67 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 75 - 1 - HD2 LYS 39 - HD3 ARG 27 lone 1 77 - 1 - HD2 LYS 39 - HD2 ARG 27 lone 1 77 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 71 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 71 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 1 89 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 1 89 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HD3 LYS 39 - HD2 ARG 27 lone 1 76 - 1 - HD3 LYS 39 - HD3 ARG 27 lone 1 76 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 71 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 71 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 97 - 0 - HG3 ARG 70 - HD2 ARG 82 lone 1 81 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 69 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 0 66 - 1 - HG3 ARG 54 - HD2 ARG 17 lone 0 82 - 1 - HG3 ARG 54 - HD3 ARG 17 lone 0 82 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 0 68 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 0 68 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 0 68 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 0 68 - 1 - HD2 LYS 39 - HD2 ARG 26 lone 0 66 - 1 - HD3 LYS 39 - HD2 ARG 26 lone 0 65 - 1 - HD2 LYS 39 - HD3 ARG 26 lone 0 63 - 1 - HD3 LYS 39 - HD3 ARG 26 lone 0 62 - 1 - HG LEU 62 - HD3 ARG 27 lone 0 47 - 1 - HG LEU 62 - HD2 ARG 27 lone 0 47 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 59 - 1 - HG3 ARG 54 - HD2 ARG 26 lone 0 57 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 76 - 0 - HG3 ARG 54 - HD3 ARG 26 lone 0 54 - 1 - HB3 LEU 51 - HD2 ARG 27 lone 0 81 - 0 - HB3 LEU 51 - HD3 ARG 27 lone 0 81 - 0 - HG3 ARG 54 - HD2 ARG 27 lone 0 68 - 0 - HG3 ARG 54 - HD3 ARG 27 lone 0 68 - 0 - HG LEU 62 - HD2 ARG 82 lone 0 62 - 0 - Peak 3420 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 9 out of 240 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3379/3.5=4...(11) * HG3 ARG 84 + HD3 ARG 84 OK 97 100 - 97 - 2.9=96, 3379/3.5=4...(11) HG2 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG3 ARG 84 + HD2 ARG 84 OK 97 100 - 97 - 2.9=96, 3380/3.5=4...(11) HG2 ARG 17 + HD2 ARG 17 OK 59 65 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 17 + HD3 ARG 17 OK 59 65 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 71 + HD2 ARG 71 OK 57 64 - 89 - 3.0=87, 3.8/2902=2...(5) HG3 ARG 17 + HD3 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1160=3...(9) HG3 ARG 17 + HD2 ARG 17 OK 56 62 - 91 - 3.0=88, 2.9/1160=3...(9) HG2 ARG 26 - HD2 ARG 26 OK 34 37 - 92 - 3.0=91 HG2 ARG 26 - HD3 ARG 26 OK 33 36 - 92 - 3.0=91 HG2 ARG 71 - HD3 ARG 17 OK 10 62 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 71 - HD2 ARG 17 OK 10 62 - 17 - 1.8/2934=2, ~2934=1 HG2 ARG 26 - HD2 ARG 71 poor 10 59 - 17 - ~1394=1, 3.7/2937=1, 2932/3.0=1 HG2 ARG 17 - HD2 ARG 71 poor 9 67 - 14 - 2878/1.8=1 HG2 ARG 71 - HD2 ARG 26 poor 9 41 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG3 ARG 17 - HD2 ARG 71 poor 9 64 - 14 - HG3 ARG 70 - HD2 ARG 71 poor 9 81 - 11 - 5.0/6137=1, ~2870=1, ~2871=1 HG2 ARG 71 - HD3 ARG 26 poor 9 39 - 23 - ~2935=2, 1394/3.0=1, ~2932=1 HG3 ARG 84 - HD3 ARG 17 lone 7 97 - 7 - HG3 ARG 84 - HD2 ARG 17 lone 7 97 - 7 - HG2 ARG 84 - HD2 ARG 17 lone 7 97 - 7 - HG2 ARG 84 - HD3 ARG 17 lone 7 97 - 7 - HD2 LYS 32 - HD2 ARG 71 lone 7 84 - 8 - HB3 LEU 29 - HD3 ARG 84 lone 7 95 - 7 - HB3 LEU 29 - HD2 ARG 84 lone 6 94 - 7 - HD3 LYS 32 - HD2 ARG 71 lone 6 81 - 8 - HG3 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HG2 ARG 84 - HD2 ARG 71 lone 6 98 - 6 - HG2 ARG 71 - HD2 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 71 - HD3 ARG 84 lone 5 68 - 8 - 1.8/2934=1 HG2 ARG 17 - HD2 ARG 26 poor 5 43 - 13 - HG3 ARG 17 - HD2 ARG 26 poor 5 41 - 13 - HG2 ARG 17 - HD3 ARG 26 poor 5 41 - 12 - HG2 ARG 71 - HD3 ARG 27 poor 5 50 - 10 - HG2 ARG 71 - HD2 ARG 27 poor 5 50 - 10 - HG3 ARG 17 - HD3 ARG 26 poor 5 39 - 12 - HG2 ARG 71 - HD2 ARG 23 lone 5 56 - 8 - HG2 ARG 71 - HD3 ARG 23 lone 5 56 - 8 - HG2 ARG 26 - HD3 ARG 17 lone 5 57 - 8 - HG2 ARG 26 - HD2 ARG 17 lone 5 57 - 8 - HG2 ARG 26 - HD3 ARG 27 poor 5 45 - 10 - HG2 ARG 26 - HD2 ARG 27 poor 5 45 - 10 - HG2 ARG 17 - HD2 ARG 84 lone 4 71 - 6 - HG2 ARG 17 - HD3 ARG 84 lone 4 71 - 6 - HG3 ARG 17 - HD2 ARG 84 lone 4 68 - 6 - HB3 LEU 62 - HD2 ARG 26 lone 4 70 - 6 - ~5958=1 HG3 ARG 17 - HD3 ARG 84 lone 4 68 - 6 - HB3 LEU 62 - HD3 ARG 26 lone 4 67 - 6 - ~5958=1 HD3 LYS 73 - HD2 ARG 71 lone 4 84 - 5 - HD2 LYS 73 - HD2 ARG 71 lone 4 84 - 5 - HG2 ARG 17 - HD3 ARG 27 lone 4 52 - 8 - HG2 ARG 17 - HD2 ARG 27 lone 4 52 - 8 - HB3 LEU 62 - HD2 ARG 71 lone 4 97 - 4 - HG2 ARG 17 - HD3 ARG 23 lone 4 58 - 6 - HG2 ARG 17 - HD2 ARG 23 lone 4 58 - 6 - HG3 ARG 17 - HD2 ARG 27 lone 4 50 - 8 - HG3 ARG 17 - HD3 ARG 27 lone 4 50 - 8 - HG3 ARG 17 - HD2 ARG 23 lone 4 56 - 6 - HG3 ARG 17 - HD3 ARG 23 lone 4 56 - 6 - HB2 LEU 86 - HD2 ARG 17 lone 3 74 - 4 - HB2 LEU 86 - HD3 ARG 17 lone 3 74 - 4 - HB3 LEU 62 - HD2 ARG 84 lone 3 100 - 3 - HB3 LEU 62 - HD3 ARG 84 lone 3 100 - 3 - HD2 LYS 39 - HD3 ARG 23 lone 3 85 - 3 - HD2 LYS 39 - HD2 ARG 23 lone 3 85 - 3 - HD2 LYS 73 - HD3 ARG 84 lone 3 89 - 3 - HD3 LYS 73 - HD3 ARG 84 lone 3 89 - 3 - HD2 LYS 73 - HD2 ARG 84 lone 3 88 - 3 - HD3 LYS 73 - HD2 ARG 84 lone 3 88 - 3 - HG LEU 86 - HD3 ARG 17 lone 3 96 - 3 - HG LEU 86 - HD2 ARG 17 lone 3 96 - 3 - HD3 LYS 39 - HD2 ARG 23 lone 3 84 - 3 - HD3 LYS 39 - HD3 ARG 23 lone 3 84 - 3 - HG3 ARG 84 - HD2 ARG 26 lone 3 71 - 4 - HG2 ARG 84 - HD2 ARG 26 lone 3 71 - 4 - HD2 LYS 32 - HD3 ARG 84 lone 3 89 - 3 - HD2 LYS 32 - HD2 ARG 84 lone 3 88 - 3 - HG2 ARG 84 - HD3 ARG 26 lone 3 68 - 4 - HG3 ARG 84 - HD3 ARG 26 lone 3 68 - 4 - HD3 LYS 32 - HD3 ARG 84 lone 3 85 - 3 - HD3 LYS 32 - HD2 ARG 84 lone 3 85 - 3 - HG LEU 86 - HD3 ARG 84 lone 2 100 - 2 - HG LEU 86 - HD2 ARG 84 lone 2 100 - 2 - HB2 LEU 86 - HD3 ARG 84 lone 2 81 - 3 - HB2 LEU 86 - HD2 ARG 84 lone 2 80 - 3 - HG3 ARG 70 - HD2 ARG 84 lone 2 85 - 3 - HG3 ARG 70 - HD3 ARG 84 lone 2 85 - 3 - HB3 LEU 29 - HD2 ARG 71 lone 2 91 - 2 - HG LEU 62 - HD2 ARG 26 lone 2 39 - 6 - ~5958=1 HG3 ARG 84 - HD3 ARG 23 lone 2 90 - 2 - HG2 ARG 84 - HD2 ARG 23 lone 2 90 - 2 - HG2 ARG 84 - HD3 ARG 23 lone 2 90 - 2 - HG3 ARG 84 - HD2 ARG 23 lone 2 90 - 2 - HG LEU 62 - HD2 ARG 71 lone 2 61 - 3 - HG LEU 62 - HD3 ARG 26 lone 2 37 - 6 - ~5958=1 HG LEU 86 - HD2 ARG 71 lone 2 97 - 2 - HG3 ARG 70 - HD2 ARG 17 lone 2 78 - 2 - HG3 ARG 70 - HD3 ARG 17 lone 2 78 - 2 - HB3 LEU 29 - HD2 ARG 82 lone 2 91 - 2 - HG LEU 86 - HD2 ARG 26 lone 2 70 - 3 - HB3 LEU 29 - HD2 ARG 26 lone 2 62 - 3 - HG3 ARG 70 - HD2 ARG 26 lone 2 53 - 3 - HB3 LEU 29 - HD3 ARG 26 lone 2 60 - 3 - HG2 ARG 26 - HD2 ARG 84 lone 2 63 - 3 - HG2 ARG 26 - HD3 ARG 84 lone 2 63 - 3 - HG2 ARG 26 - HD3 ARG 23 lone 2 51 - 3 - HG2 ARG 26 - HD2 ARG 23 lone 2 51 - 3 - HD2 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD2 LYS 39 - HD2 ARG 84 lone 2 97 - 2 - HG LEU 86 - HD3 ARG 26 lone 2 67 - 3 - HD3 LYS 39 - HD3 ARG 84 lone 2 97 - 2 - HD3 LYS 39 - HD2 ARG 84 lone 2 96 - 2 - HD2 LYS 32 - HD2 ARG 17 lone 2 82 - 2 - HD2 LYS 32 - HD3 ARG 17 lone 2 82 - 2 - HG3 ARG 84 - HD3 ARG 27 lone 2 83 - 2 - HG2 ARG 84 - HD2 ARG 27 lone 2 83 - 2 - HG2 ARG 84 - HD3 ARG 27 lone 2 83 - 2 - HG3 ARG 84 - HD2 ARG 27 lone 2 83 - 2 - HB3 LEU 62 - HD2 ARG 23 lone 2 89 - 2 - HB3 LEU 62 - HD3 ARG 23 lone 2 89 - 2 - HD3 LYS 32 - HD3 ARG 17 lone 2 78 - 2 - HD3 LYS 32 - HD2 ARG 17 lone 2 78 - 2 - HG LEU 62 - HD3 ARG 84 lone 2 65 - 2 - HG LEU 62 - HD2 ARG 84 lone 2 65 - 2 - HB3 LEU 29 - HD2 ARG 23 lone 2 81 - 2 - HB3 LEU 29 - HD3 ARG 23 lone 2 81 - 2 - HB2 LEU 86 - HD2 ARG 71 lone 2 76 - 2 - HD2 LYS 32 - HD2 ARG 26 lone 2 57 - 3 - HG3 ARG 54 - HD2 ARG 82 lone 1 85 - 2 - HD2 LYS 32 - HD3 ARG 26 lone 1 54 - 3 - HG3 ARG 70 - HD3 ARG 26 lone 1 51 - 3 - HD3 LYS 32 - HD2 ARG 26 lone 1 53 - 3 - HB3 LEU 62 - HD3 ARG 17 lone 1 96 - 1 - HB3 LEU 62 - HD2 ARG 17 lone 1 96 - 1 - HG2 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HG3 ARG 84 - HD2 ARG 82 lone 1 98 - 1 - HD3 LYS 32 - HD3 ARG 26 lone 1 51 - 3 - HB2 LEU 86 - HD2 ARG 26 lone 1 50 - 3 - HG3 ARG 54 - HD3 ARG 84 lone 1 89 - 1 - HG3 ARG 54 - HD2 ARG 84 lone 1 88 - 1 - HB3 LEU 51 - HD2 ARG 84 lone 1 99 - 1 - HB3 LEU 51 - HD3 ARG 84 lone 1 99 - 1 - HB2 LEU 86 - HD3 ARG 26 lone 1 48 - 3 - HD3 LYS 73 - HD2 ARG 17 lone 1 82 - 1 - HD2 LYS 73 - HD3 ARG 17 lone 1 82 - 1 - HD2 LYS 73 - HD2 ARG 17 lone 1 82 - 1 - HD3 LYS 73 - HD3 ARG 17 lone 1 82 - 1 - HG LEU 86 - HD3 ARG 23 lone 1 89 - 1 - HG LEU 86 - HD2 ARG 23 lone 1 89 - 1 - HB3 LEU 29 - HD3 ARG 17 lone 1 89 - 1 - HB3 LEU 29 - HD2 ARG 17 lone 1 89 - 1 - HD2 LYS 39 - HD2 ARG 82 lone 1 94 - 1 - HD3 LYS 39 - HD2 ARG 82 lone 1 93 - 1 - HG LEU 86 - HD3 ARG 27 lone 1 81 - 1 - HG LEU 86 - HD2 ARG 27 lone 1 81 - 1 - HG3 ARG 70 - HD2 ARG 27 lone 1 64 - 2 - HG3 ARG 70 - HD3 ARG 27 lone 1 64 - 2 - HB2 LEU 86 - HD3 ARG 23 lone 1 67 - 1 - HB2 LEU 86 - HD2 ARG 23 lone 1 67 - 1 - HB3 LEU 62 - HD2 ARG 27 lone 1 81 - 1 - HB3 LEU 62 - HD3 ARG 27 lone 1 81 - 1 - HD2 LYS 39 - HD2 ARG 71 lone 1 94 - 1 - HD3 LYS 39 - HD2 ARG 71 lone 1 93 - 1 - HD3 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HD2 LYS 73 - HD2 ARG 82 lone 1 85 - 1 - HB3 LEU 51 - HD2 ARG 71 lone 1 97 - 1 - HD2 LYS 32 - HD3 ARG 27 lone 1 68 - 1 - HD2 LYS 32 - HD2 ARG 27 lone 1 68 - 1 - HB2 LEU 86 - HD3 ARG 27 lone 1 60 - 1 - HB2 LEU 86 - HD2 ARG 27 lone 1 60 - 1 - HG2 ARG 71 - HD2 ARG 82 lone 1 64 - 1 - HD2 LYS 32 - HD2 ARG 82 lone 1 85 - 1 - HD2 LYS 73 - HD2 ARG 26 lone 1 57 - 1 - HD3 LYS 73 - HD2 ARG 26 lone 1 57 - 1 - HD3 LYS 32 - HD2 ARG 27 lone 1 64 - 1 - HD3 LYS 32 - HD3 ARG 27 lone 1 64 - 1 - HB3 LEU 29 - HD2 ARG 27 lone 1 74 - 1 - HB3 LEU 29 - HD3 ARG 27 lone 1 74 - 1 - HG LEU 62 - HD2 ARG 23 lone 1 53 - 1 - HG LEU 62 - HD3 ARG 23 lone 1 53 - 1 - HG3 ARG 54 - HD2 ARG 71 lone 1 84 - 1 - HD3 LYS 32 - HD2 ARG 82 lone 1 81 - 1 - HD2 LYS 73 - HD3 ARG 26 lone 1 54 - 1 - HD3 LYS 73 - HD3 ARG 26 lone 1 54 - 1 - HD2 LYS 39 - HD2 ARG 17 lone 1 92 - 1 - HD2 LYS 39 - HD3 ARG 17 lone 1 92 - 1 - HD3 LYS 39 - HD3 ARG 17 lone 1 91 - 1 - HD3 LYS 39 - HD2 ARG 17 lone 1 91 - 1 - HG3 ARG 54 - HD3 ARG 23 lone 1 75 - 1 - HG3 ARG 54 - HD2 ARG 23 lone 1 75 - 1 - HG LEU 62 - HD2 ARG 17 lone 1 60 - 1 - HG LEU 62 - HD3 ARG 17 lone 1 60 - 1 - HD3 LYS 73 - HD3 ARG 23 lone 1 75 - 1 - HD3 LYS 73 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 73 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 73 - HD3 ARG 23 lone 1 75 - 1 - HB3 LEU 51 - HD2 ARG 17 lone 1 95 - 1 - HB3 LEU 51 - HD3 ARG 17 lone 1 95 - 1 - HB3 LEU 62 - HD2 ARG 82 lone 1 97 - 1 - HB3 LEU 51 - HD2 ARG 82 lone 1 97 - 1 - HG2 ARG 17 - HD2 ARG 82 lone 1 67 - 1 - HD2 LYS 32 - HD2 ARG 23 lone 1 75 - 1 - HD2 LYS 32 - HD3 ARG 23 lone 1 75 - 1 - HD2 LYS 39 - HD3 ARG 27 lone 1 77 - 1 - HD2 LYS 39 - HD2 ARG 27 lone 1 77 - 1 - HG3 ARG 70 - HD2 ARG 23 lone 1 71 - 1 - HG3 ARG 70 - HD3 ARG 23 lone 1 71 - 1 - HB3 LEU 51 - HD3 ARG 23 lone 1 89 - 1 - HB3 LEU 51 - HD2 ARG 23 lone 1 89 - 1 - HG3 ARG 17 - HD2 ARG 82 lone 1 64 - 1 - HD3 LYS 39 - HD2 ARG 27 lone 1 76 - 1 - HD3 LYS 39 - HD3 ARG 27 lone 1 76 - 1 - HD3 LYS 32 - HD3 ARG 23 lone 1 71 - 1 - HD3 LYS 32 - HD2 ARG 23 lone 1 71 - 1 - HG LEU 86 - HD2 ARG 82 lone 0 97 - 0 - HG3 ARG 70 - HD2 ARG 82 lone 1 81 - 1 - HB3 LEU 51 - HD2 ARG 26 lone 1 69 - 1 - HB3 LEU 51 - HD3 ARG 26 lone 0 66 - 1 - HG3 ARG 54 - HD2 ARG 17 lone 0 82 - 1 - HG3 ARG 54 - HD3 ARG 17 lone 0 82 - 1 - HD2 LYS 73 - HD2 ARG 27 lone 0 68 - 1 - HD3 LYS 73 - HD3 ARG 27 lone 0 68 - 1 - HD3 LYS 73 - HD2 ARG 27 lone 0 68 - 1 - HD2 LYS 73 - HD3 ARG 27 lone 0 68 - 1 - HD2 LYS 39 - HD2 ARG 26 lone 0 66 - 1 - HD3 LYS 39 - HD2 ARG 26 lone 0 65 - 1 - HD2 LYS 39 - HD3 ARG 26 lone 0 63 - 1 - HD3 LYS 39 - HD3 ARG 26 lone 0 62 - 1 - HG LEU 62 - HD3 ARG 27 lone 0 47 - 1 - HG LEU 62 - HD2 ARG 27 lone 0 47 - 1 - HG2 ARG 26 - HD2 ARG 82 lone 0 59 - 1 - HG3 ARG 54 - HD2 ARG 26 lone 0 57 - 1 - HB2 LEU 86 - HD2 ARG 82 lone 0 76 - 0 - HG3 ARG 54 - HD3 ARG 26 lone 0 54 - 1 - HB3 LEU 51 - HD2 ARG 27 lone 0 81 - 0 - HB3 LEU 51 - HD3 ARG 27 lone 0 81 - 0 - HG3 ARG 54 - HD2 ARG 27 lone 0 68 - 0 - HG3 ARG 54 - HD3 ARG 27 lone 0 68 - 0 - HG LEU 62 - HD2 ARG 82 lone 0 62 - 0 - Peak 3421 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 10 out of 12 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 HD2 ARG 82 + HD2 ARG 82 OK 98 98 - 100 HD2 ARG 71 + HD2 ARG 71 OK 96 96 - 100 HD3 ARG 17 + HD3 ARG 17 OK 89 89 - 100 HD2 ARG 17 + HD2 ARG 17 OK 89 89 - 100 HD2 ARG 23 + HD2 ARG 23 OK 73 73 - 100 HD3 ARG 23 + HD3 ARG 23 OK 73 73 - 100 HD2 ARG 27 + HD2 ARG 27 OK 58 58 - 100 HD3 ARG 27 + HD3 ARG 27 OK 58 58 - 100 HD2 ARG 26 - HD2 ARG 26 OK 39 39 - 100 HD3 ARG 26 - HD3 ARG 26 OK 36 36 - 100 Reference assignment not found: HD2 ARG 84 - HD3 ARG 84 Peak 3422 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 10 out of 12 assignments used, quality = 1.00: * HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 HD2 ARG 82 + HD2 ARG 82 OK 98 98 - 100 HD2 ARG 71 + HD2 ARG 71 OK 95 95 - 100 HD2 ARG 17 + HD2 ARG 17 OK 91 91 - 100 HD3 ARG 17 + HD3 ARG 17 OK 91 91 - 100 HD3 ARG 23 + HD3 ARG 23 OK 77 77 - 100 HD2 ARG 23 + HD2 ARG 23 OK 77 77 - 100 HD2 ARG 27 + HD2 ARG 27 OK 62 62 - 100 HD3 ARG 27 + HD3 ARG 27 OK 62 62 - 100 HD2 ARG 26 - HD2 ARG 26 OK 43 43 - 100 HD3 ARG 26 - HD3 ARG 26 OK 39 39 - 100 Peak 3423 from cnoeabs.peaks (8.11, 4.23, 56.47 ppm; 4.74 A): 1 out of 15 assignments used, quality = 1.00: * H LYS 85 + HA LYS 85 OK 100 100 - 100 - 2.9=100 H LYS 85 - HA LYS 83 OK 35 73 - 48 - 377/4.7=16, 849=6...(19) H LYS 75 - HA LYS 85 OK 33 93 - 36 - 3443/3.0=6, 5849/3.8=4...(15) H LYS 75 - HA LYS 83 OK 13 63 - 20 - 3443/3.0=3, 802=2...(6) H ARG 71 - HA LYS 85 lone 9 100 - 9 - 3443/3.0=2 H THR 88 - HA GLU 19 poor 7 30 - 25 - 5275/3.0=4, 5901/3.0=4...(7) H ARG 71 - HA LYS 83 lone 4 73 - 6 - 3443/3.0=1, 4008/4.7=1 H LYS 85 - HA GLU 19 lone 3 54 - 6 - H ARG 26 - HA LYS 85 lone 3 68 - 4 - H ARG 26 - HA GLU 19 lone 2 30 - 8 - 58/3.9=2, 58/3.9=2, 56/3.0=1 H THR 88 - HA LYS 85 lone 2 68 - 3 - H LYS 75 - HA GLU 19 lone 2 46 - 4 - H ARG 26 - HA LYS 83 lone 2 43 - 4 - H ARG 71 - HA GLU 19 lone 1 54 - 2 - H THR 88 - HA LYS 83 lone 1 43 - 3 - Peak 3424 from cnoeabs.peaks (4.23, 4.23, 56.47 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA LYS 85 + HA LYS 85 OK 100 100 - 100 HA LYS 83 + HA LYS 83 OK 63 63 - 100 HA GLU 19 - HA GLU 19 OK 27 27 - 100 Peak 3425 from cnoeabs.peaks (1.80, 4.23, 56.47 ppm; 3.33 A): 2 out of 39 assignments used, quality = 1.00: * HB2 LYS 85 + HA LYS 85 OK 100 100 - 100 - 3.0=100 HB2 LYS 83 + HA LYS 83 OK 52 52 - 100 - 3.0=100 HB3 ARG 84 - HA LYS 85 OK 26 100 - 26 - ~377=5, 379/2.9=4...(9) HB3 LYS 75 - HA LYS 85 OK 25 92 - 27 - 4.0/3423=2, 2.7/3427=2...(9) HB2 LYS 73 - HA LYS 85 OK 23 83 - 29 - 2.9/3427=2, 2.9/3428=2...(7) HB2 LYS 85 - HA LYS 83 OK 22 73 - 31 - 1.8/3444=3, ~3297=3...(14) HB2 LYS 83 - HA LYS 85 OK 20 81 - 25 - 1.8/3444=3, 4.0/831=2...(12) HB3 LYS 73 - HA LYS 85 OK 19 71 - 28 - 2.9/3427=2, 2.9/3428=2...(6) HB2 LYS 13 - HA LYS 85 OK 18 95 - 19 - 3.0/3428=2, 3.9/4015=2...(6) HB ILE 89 - HA LYS 85 OK 12 81 - 15 - 5903/3.6=3, 3609/3.8=1 HB3 ARG 84 - HA LYS 83 OK 12 73 - 16 - 843/3.6=5, 4.6/3423=2...(4) HB2 ARG 69 - HA LYS 85 OK 11 100 - 11 - ~2802=1 HB3 LYS 39 - HA LYS 85 poor 9 83 - 10 - 386/3.6=1 HB3 LYS 75 - HA LYS 83 poor 8 62 - 12 - 3287/2.9=1 HB2 LYS 73 - HA LYS 83 poor 7 54 - 14 - ~3287=1, ~361=1 HB3 LYS 73 - HA LYS 83 poor 5 44 - 12 - 3287/2.9=1 HB3 LYS 39 - HA LYS 83 lone 5 54 - 9 - HB2 LYS 13 - HA LYS 83 lone 4 65 - 6 - HB2 ARG 69 - HA LYS 83 lone 3 73 - 4 - HB ILE 89 - HA LYS 83 lone 3 52 - 6 - 3605/4.7=1, 3604/3.6=1 HB2 LYS 83 - HA GLU 19 lone 2 37 - 6 - HB2 LYS 32 - HA LYS 85 lone 2 60 - 3 - HB3 LYS 32 - HA LYS 85 lone 2 60 - 3 - HB2 ARG 69 - HA GLU 19 lone 2 54 - 3 - HB2 PRO 34 - HA LYS 85 lone 2 76 - 2 - HB2 LYS 85 - HA GLU 19 lone 2 54 - 3 - HB3 LYS 32 - HA LYS 83 lone 1 37 - 3 - HB2 LYS 32 - HA LYS 83 lone 1 37 - 3 - HB2 PRO 34 - HA LYS 83 lone 1 48 - 2 - HB3 LYS 39 - HA GLU 19 lone 1 38 - 3 - HB3 LYS 75 - HA GLU 19 lone 1 44 - 2 - HB3 ARG 84 - HA GLU 19 lone 1 54 - 1 - HB2 LYS 13 - HA GLU 19 lone 0 47 - 1 - HB2 LYS 73 - HA GLU 19 lone 0 38 - 1 - HB3 LYS 73 - HA GLU 19 lone 0 31 - 1 - HB ILE 89 - HA GLU 19 lone 0 37 - 1 - HB2 PRO 34 - HA GLU 19 lone 0 34 - 1 - HB3 LYS 32 - HA GLU 19 lone 0 26 - 1 - HB2 LYS 32 - HA GLU 19 lone 0 26 - 1 - Peak 3426 from cnoeabs.peaks (1.72, 4.23, 56.47 ppm; 3.63 A): 2 out of 39 assignments used, quality = 1.00: * HB3 LYS 85 + HA LYS 85 OK 100 100 - 100 - 3.0=100 HB3 LYS 83 + HA LYS 83 OK 72 72 - 100 - 3.0=100 HB2 ARG 84 - HA LYS 85 OK 32 100 - 33 - 378/2.9=7, ~377=6...(11) HB3 LYS 83 - HA LYS 85 OK 32 100 - 33 - 3444=4, 3443/2.9=4...(13) HB3 LYS 85 - HA LYS 83 OK 27 73 - 38 - 3297/2.9=5, 3444=5...(16) HB2 LEU 43 - HA LYS 85 OK 26 100 - 26 - 3.1/5357=3, 3.0/4390=3...(9) HB2 ARG 84 - HA LYS 83 OK 14 72 - 20 - 842/3.6=6, 4.6/3423=2...(8) HB2 LEU 29 - HA LYS 85 OK 11 99 - 11 - 387/3.6=4, 851/2.9=1 HG2 ARG 70 - HA LYS 85 lone 8 93 - 9 - 5488/2.9=2 HB2 LEU 43 - HA LYS 83 poor 8 73 - 11 - 3.1/5357=2, 3.9/4371=1 HB2 ARG 82 - HA LYS 83 poor 8 39 - 20 - 833/2.9=6, ~361=5, ~832=4 HB2 LEU 29 - HA LYS 83 lone 7 71 - 10 - 369/3.6=2, 1484/4.7=1...(4) HB3 LYS 83 - HA GLU 19 lone 4 53 - 8 - 4.0/831=1 HB2 ARG 82 - HA LYS 85 lone 3 63 - 6 - 4.4/831=2 HB2 LEU 62 - HA LYS 85 lone 3 73 - 5 - 387/3.6=2 HG3 ARG 71 - HA LYS 85 lone 3 60 - 5 - 2928/2.9=1 HB3 LEU 64 - HA LYS 83 lone 3 44 - 7 - HB3 ARG 17 - HA LYS 85 lone 3 81 - 4 - 387/3.6=1 HB3 LEU 64 - HA LYS 85 lone 2 71 - 3 - HB3 LYS 85 - HA GLU 19 lone 2 54 - 4 - HG2 ARG 70 - HA LYS 83 lone 2 63 - 3 - HB3 LEU 64 - HA GLU 19 lone 2 31 - 6 - HB3 ARG 17 - HA LYS 83 lone 2 52 - 3 - HG3 ARG 26 - HA LYS 85 lone 2 68 - 2 - HG3 ARG 66 - HA LYS 85 lone 1 65 - 2 - HB2 LEU 43 - HA GLU 19 lone 1 54 - 2 - HB2 LEU 62 - HA LYS 83 lone 1 46 - 2 - HG3 ARG 71 - HA LYS 83 lone 1 37 - 2 - HB2 ARG 84 - HA GLU 19 lone 1 53 - 1 - HB3 ARG 17 - HA GLU 19 lone 1 37 - 2 - HG3 ARG 66 - HA LYS 83 lone 1 41 - 2 - HG3 ARG 26 - HA LYS 83 lone 1 43 - 2 - HB2 LEU 29 - HA GLU 19 lone 1 52 - 1 - HG3 ARG 26 - HA GLU 19 lone 1 30 - 2 - HB2 ARG 82 - HA GLU 19 lone 0 27 - 2 - 4.4/831=1 HG3 ARG 66 - HA GLU 19 lone 0 28 - 2 - HG2 ARG 70 - HA GLU 19 lone 0 46 - 1 - HB2 LEU 62 - HA GLU 19 lone 0 33 - 1 - HG3 ARG 71 - HA GLU 19 lone 0 26 - 1 - Peak 3427 from cnoeabs.peaks (1.38, 4.23, 56.47 ppm; 3.54 A): 3 out of 39 assignments used, quality = 0.96: * HG2 LYS 85 + HA LYS 85 OK 84 100 - 84 - 3.8=78, 4.7/385=12...(8) HG2 LYS 83 + HA LYS 83 OK 60 69 - 86 - 3.7=85, ~833=4, ~361=3, ~832=3 QB ALA 20 + HA GLU 19 OK 31 54 - 58 - 4.5=47, 2.9/27=7, ~29=4...(9) HG3 LYS 75 - HA LYS 85 OK 30 96 - 31 - 3447/3.0=2, 2.7/3425=2...(9) HG2 LYS 75 - HA LYS 85 OK 30 96 - 31 - 3447/3.0=2, 2.7/3425=2...(9) HG3 LYS 73 - HA LYS 85 OK 29 97 - 30 - 6145=2, 1.8/3428=2...(11) HG2 LYS 85 - HA LYS 83 OK 20 73 - 28 - 2.9/3444=3, 5897/2.9=2...(12) HG2 LYS 83 - HA LYS 85 OK 18 98 - 19 - 2.9/3444=2, 6145=2...(8) HG3 ARG 69 - HA LYS 85 OK 11 100 - 11 - 2818/3.0=2 HB3 ARG 69 - HA LYS 85 OK 11 89 - 12 - 2802/3.0=2, 1.8/3425=1 HG3 LYS 75 - HA LYS 83 OK 10 66 - 15 - 5897/2.9=1 HG2 LYS 75 - HA LYS 83 OK 10 66 - 15 - 5897/2.9=1 HG3 LYS 73 - HA LYS 83 poor 10 68 - 14 - 5897/2.9=2, 6145=1 HG3 LYS 39 - HA LYS 85 poor 7 65 - 11 - 5895/3.6=1, 1.8/1863=1 QB ALA 77 - HA LYS 85 lone 6 100 - 6 - QB ALA 78 - HA LYS 85 lone 4 97 - 4 - QB ALA 77 - HA LYS 83 lone 4 73 - 6 - HG3 LYS 39 - HA LYS 83 lone 4 41 - 9 - 1.8/1863=1 HG3 ARG 69 - HA LYS 83 lone 3 73 - 4 - HB3 ARG 69 - HA LYS 83 lone 3 59 - 5 - QB ALA 78 - HA LYS 83 lone 3 68 - 4 - HG3 ARG 69 - HA GLU 19 lone 2 54 - 4 - 499/3.6=1 QB ALA 20 - HA LYS 83 lone 2 73 - 3 - QB ALA 77 - HA GLU 19 lone 2 54 - 4 - 1239/3.6=2 QB ALA 53 - HA LYS 85 lone 2 92 - 2 - QB ALA 20 - HA LYS 85 lone 2 100 - 2 - HG2 LYS 83 - HA GLU 19 lone 2 50 - 4 - HB3 ARG 69 - HA GLU 19 lone 2 42 - 4 - 499/3.6=1 QB ALA 16 - HA LYS 85 lone 1 87 - 2 - HG2 LYS 85 - HA GLU 19 lone 2 54 - 3 - QB ALA 78 - HA GLU 19 lone 1 49 - 3 - QB ALA 53 - HA LYS 83 lone 1 62 - 2 - HG2 LYS 75 - HA GLU 19 lone 1 48 - 2 - HG3 LYS 75 - HA GLU 19 lone 1 48 - 2 - QB ALA 16 - HA LYS 83 lone 1 57 - 2 - QB ALA 16 - HA GLU 19 lone 1 41 - 3 - HG3 LYS 73 - HA GLU 19 lone 1 49 - 2 - HG3 LYS 39 - HA GLU 19 lone 1 28 - 2 - QB ALA 53 - HA GLU 19 lone 1 44 - 1 - Peak 3428 from cnoeabs.peaks (1.45, 4.23, 56.47 ppm; 4.55 A): 1 out of 27 assignments used, quality = 1.00: * HG3 LYS 85 + HA LYS 85 OK 100 100 - 100 - 3.8=100 HB3 LEU 43 - HA LYS 85 OK 31 90 - 34 - 3.1/5357=5, 2018/3.0=4...(13) HG3 LYS 13 - HA LYS 85 OK 30 100 - 31 - 3448/3.0=4, 3464=3...(11) HG3 LYS 85 - HA LYS 83 OK 30 73 - 42 - ~3297=4, 3464=4...(17) HG2 LYS 73 - HA LYS 85 OK 30 71 - 43 - 3448/3.0=3, 1.8/3427=3...(17) HG13 ILE 89 - HA LYS 85 OK 18 93 - 19 - 3448/3.0=3, 3627/3.0=2...(8) HG2 LYS 73 - HA LYS 83 OK 10 44 - 23 - ~5897=2, ~3287=2...(9) HB3 LEU 43 - HA LYS 83 poor 9 60 - 15 - 3.1/5357=3, 3.9/4371=2...(4) HG3 LYS 13 - HA LYS 83 poor 9 73 - 12 - 3464=1, 3448/3.0=1 QB ALA 30 - HA LYS 85 lone 7 99 - 7 - 4843/3.0=1, 853/2.9=1 HG13 ILE 89 - HA LYS 83 lone 5 63 - 8 - 3625/3.6=2, 3626/4.7=2 HG12 ILE 33 - HA LYS 85 lone 4 98 - 4 - QB ALA 30 - HA LYS 83 lone 4 70 - 6 - 5539/3.6=2 HB3 LEU 57 - HA LYS 85 lone 3 92 - 3 - HG12 ILE 33 - HA LYS 83 lone 2 69 - 3 - HG3 LYS 85 - HA GLU 19 lone 2 54 - 4 - HB3 LEU 52 - HA LYS 85 lone 2 83 - 2 - HB3 LEU 57 - HA LYS 83 lone 2 62 - 3 - HB3 LEU 43 - HA GLU 19 lone 2 43 - 4 - HG3 LYS 13 - HA GLU 19 lone 1 53 - 2 - HB3 LEU 52 - HA LYS 83 lone 1 54 - 2 - QB ALA 30 - HA GLU 19 lone 1 51 - 2 - HG12 ILE 33 - HA GLU 19 lone 1 50 - 2 - HG13 ILE 89 - HA GLU 19 lone 1 46 - 2 - HB3 LEU 57 - HA GLU 19 lone 1 44 - 1 - HG2 LYS 73 - HA GLU 19 lone 1 31 - 2 - HB3 LEU 52 - HA GLU 19 lone 1 38 - 1 - Peak 3433 from cnoeabs.peaks (8.11, 1.80, 32.58 ppm; 4.09 A): 2 out of 35 assignments used, quality = 1.00: * H LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 4.0=100 H LYS 75 + HB3 LYS 75 OK 82 82 - 100 - 4.0=100 H LYS 75 - HB2 LYS 85 OK 30 93 - 32 - 3443/1.8=5, 3423/3.0=4...(12) H LYS 75 - HB2 LYS 73 OK 26 68 - 39 - 4.6/324=8, 5849/2.9=4...(15) H LYS 85 - HB2 LYS 73 OK 26 78 - 33 - 377/3.0=4, 379=3...(16) H LYS 85 - HB3 LYS 75 OK 25 92 - 27 - 3066/3.0=5, 379=3...(10) H LYS 75 - HB3 LYS 39 OK 25 65 - 38 - 803/1.8=5, 3.0/3069=5...(16) H LYS 85 - HB2 LYS 83 OK 24 81 - 30 - 3443/1.8=6, 4.6/843=4...(13) H LYS 75 - HB3 LYS 73 OK 23 57 - 41 - 803/1.8=5, 4.6/325=5...(17) H ARG 71 - HB2 LYS 73 OK 20 78 - 26 - 942/4.0=6, 3.6/5061=3...(9) H LYS 85 - HB3 LYS 73 OK 20 66 - 30 - 377/3.0=4, 853/2.9=2...(13) H ARG 71 - HB3 LYS 75 OK 18 92 - 19 - 3.6/5984=3, 4.6/297=3...(6) H LYS 75 - HB2 LYS 13 OK 18 74 - 24 - 5849/3.0=3, 3.0/3069=3...(9) H ARG 71 - HB3 LYS 73 OK 15 66 - 23 - 942/4.0=6, 3.6/5984=3...(9) H ARG 71 - HB2 LYS 85 OK 13 100 - 12 - 3.6/5984=2, 3443/1.8=2...(4) H LYS 85 - HB2 LYS 13 OK 12 84 - 14 - 853/3.0=2, 2.9/3425=2...(6) H LYS 75 - HB2 LYS 83 OK 10 70 - 14 - 3443/1.8=3, 3.0/3069=1...(4) H LYS 85 - HB3 LYS 39 poor 8 75 - 11 - 4.7/386=1 H ARG 71 - HB2 LYS 13 lone 6 84 - 7 - 5837/4.8=1 H ARG 71 - HB3 LYS 39 lone 6 75 - 7 - H ARG 71 - HB2 LYS 83 lone 5 80 - 6 - 3443/1.8=1 H THR 88 - HB2 LYS 73 lone 2 46 - 5 - 4.6/877=3 H THR 88 - HB2 LYS 85 lone 2 68 - 3 - 4.6/877=1 H ARG 26 - HB2 LYS 85 lone 2 68 - 3 - H ARG 26 - HB2 LYS 73 lone 2 46 - 4 - H ARG 26 - HB2 LYS 83 lone 1 48 - 2 - H ARG 26 - HB3 LYS 73 lone 1 38 - 3 - H THR 88 - HB3 LYS 73 lone 1 38 - 2 - H ARG 26 - HB3 LYS 75 lone 1 57 - 2 - H THR 88 - HB3 LYS 75 lone 1 57 - 1 - H THR 88 - HB2 LYS 13 lone 1 51 - 1 - H ARG 26 - HB2 LYS 13 lone 1 51 - 1 - H ARG 26 - HB3 LYS 39 lone 1 44 - 2 - H THR 88 - HB2 LYS 83 lone 1 48 - 1 - H THR 88 - HB3 LYS 39 lone 0 44 - 1 - Peak 3434 from cnoeabs.peaks (4.23, 1.80, 32.58 ppm; 3.21 A): 4 out of 70 assignments used, quality = 1.00: * HA LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 3.0=100 HA LYS 75 + HB3 LYS 75 OK 80 80 - 100 - 3.0=100 HA LYS 83 + HB2 LYS 83 OK 70 70 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 39 OK 53 53 - 100 - 3.0=100 HA LYS 39 - HB3 LYS 75 OK 30 69 - 44 - 1834/1.8=6, 1835=5...(18) HA LYS 83 - HB2 LYS 85 OK 27 93 - 29 - 3444/1.8=3, ~3297=3...(12) HA LYS 75 - HB2 LYS 85 OK 27 92 - 29 - 3069=4, 3444/1.8=3...(10) HA LYS 75 - HB3 LYS 39 OK 26 63 - 41 - 3068/1.8=6, 3069=6...(19) HA LYS 85 - HB3 LYS 75 OK 22 92 - 25 - 3425=3, 3423/4.0=2...(8) HA LYS 85 - HB2 LYS 73 OK 22 78 - 29 - 3425=3, 3425/1.8=2...(7) HA LYS 75 - HB2 LYS 73 OK 21 66 - 32 - 3069/1.8=3, 3070/2.9=2...(7) HA LYS 75 - HB2 LYS 13 OK 20 72 - 28 - 3069=4, 3073/1.8=2...(10) HA LYS 85 - HB2 LYS 83 OK 19 81 - 25 - 3444/1.8=3, 3425=2...(11) HA LYS 75 - HB3 LYS 73 OK 19 55 - 35 - 3069=4, 3068/1.8=4...(9) HA LYS 85 - HB3 LYS 73 OK 18 66 - 28 - 3425=2, 3425/1.8=2...(6) HA LYS 85 - HB2 LYS 13 OK 16 84 - 19 - 3425=2, 3428/3.0=2...(5) HA LYS 39 - HB2 LYS 13 OK 11 61 - 17 - 1835=2, 1837/3.0=1 HA LYS 83 - HB2 LYS 73 poor 9 68 - 14 - ~3287=1, 3279/1.8=1 HA LYS 83 - HB3 LYS 75 poor 9 82 - 11 - 3279=1 HA LYS 75 - HB2 LYS 83 poor 9 69 - 12 - 3069=2, 3444/1.8=1 HA ALA 77 - HB3 LYS 75 lone 8 91 - 9 - 339/4.6=2, ~817=1 HA LYS 39 - HB2 LYS 73 poor 8 56 - 14 - 1835/1.8=2, 1837/2.9=1 HA LYS 39 - HB2 LYS 85 lone 7 81 - 9 - HA LYS 39 - HB3 LYS 73 poor 7 46 - 15 - 1835=2, 1837/2.9=1, 3.0/594=1 HA LYS 85 - HB3 LYS 39 lone 7 75 - 9 - HA LYS 83 - HB3 LYS 73 poor 7 57 - 12 - 2.9/832=1, 3279=1 HB THR 37 - HB3 LYS 39 lone 6 73 - 8 - 128/4.4=1, ~1810=1...(4) HA ALA 12 - HB2 LYS 13 poor 5 44 - 11 - 3704/3.9=10 HA ALA 77 - HB2 LYS 85 lone 5 100 - 5 - HA LYS 83 - HB3 LYS 39 lone 5 65 - 7 - HA ALA 77 - HB2 LYS 73 lone 5 77 - 6 - 3988/4.3=2 HA LYS 83 - HB2 LYS 13 lone 4 74 - 6 - HA ALA 77 - HB3 LYS 73 lone 4 65 - 6 - 3988/4.3=2 HA THR 15 - HB2 LYS 83 lone 4 65 - 5 - HA LYS 39 - HB2 LYS 83 lone 3 58 - 6 - HA ALA 77 - HB2 LYS 83 lone 3 80 - 4 - HA ALA 78 - HB2 LYS 73 lone 3 52 - 6 - HA THR 15 - HB2 LYS 85 lone 3 89 - 3 - HA ALA 78 - HB3 LYS 75 lone 3 64 - 4 - HA GLU 19 - HB2 LYS 83 lone 3 44 - 6 - HA ALA 78 - HB2 LYS 85 lone 2 76 - 3 - HA ALA 78 - HB3 LYS 73 lone 2 43 - 5 - HB THR 37 - HB3 LYS 75 lone 2 90 - 3 - HA ALA 12 - HB2 LYS 85 lone 2 60 - 4 - 3.6/468=1 HB THR 37 - HB2 LYS 85 lone 2 99 - 2 - HA ALA 77 - HB3 LYS 39 lone 2 74 - 2 - HA GLU 19 - HB2 LYS 85 lone 2 63 - 3 - HA THR 15 - HB3 LYS 75 lone 1 77 - 2 - HA ALA 12 - HB3 LYS 75 lone 1 50 - 3 - 3.6/468=1 HA THR 15 - HB2 LYS 73 lone 1 63 - 2 - HB THR 37 - HB2 LYS 73 lone 1 76 - 2 - HB THR 37 - HB2 LYS 83 lone 1 79 - 1 - HA THR 15 - HB3 LYS 39 lone 1 60 - 2 - HA THR 15 - HB3 LYS 73 lone 1 53 - 2 - HB THR 37 - HB2 LYS 13 lone 1 82 - 1 - HB THR 37 - HB3 LYS 73 lone 1 64 - 2 - HA ALA 12 - HB3 LYS 39 lone 1 38 - 3 - 3.6/468=1 HA ALA 78 - HB2 LYS 83 lone 1 54 - 2 - HA ALA 77 - HB2 LYS 13 lone 1 83 - 1 - HA GLU 19 - HB3 LYS 75 lone 1 52 - 2 - HA ALA 12 - HB2 LYS 83 lone 1 42 - 2 - HA ALA 78 - HB3 LYS 39 lone 1 50 - 2 - HA GLU 19 - HB3 LYS 39 lone 1 40 - 2 - HA THR 15 - HB2 LYS 13 lone 1 69 - 1 - HA ALA 78 - HB2 LYS 13 lone 1 57 - 1 - HA ALA 12 - HB3 LYS 73 lone 0 33 - 2 - HA GLU 19 - HB2 LYS 73 lone 0 42 - 1 - HA GLU 19 - HB2 LYS 13 lone 0 46 - 1 - HA GLU 19 - HB3 LYS 73 lone 0 34 - 1 - HA ALA 12 - HB2 LYS 73 lone 0 40 - 1 - Peak 3435 from cnoeabs.peaks (1.80, 1.80, 32.58 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HB2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 HB3 LYS 75 + HB3 LYS 75 OK 80 80 - 100 HB2 LYS 13 + HB2 LYS 13 OK 75 75 - 100 HB2 LYS 83 + HB2 LYS 83 OK 58 58 - 100 HB2 LYS 73 + HB2 LYS 73 OK 58 58 - 100 HB3 LYS 39 + HB3 LYS 39 OK 55 55 - 100 HB3 LYS 73 - HB3 LYS 73 OK 40 40 - 100 Peak 3436 from cnoeabs.peaks (1.72, 1.80, 32.58 ppm; 2.40 A): 2 out of 91 assignments used, quality = 1.00: * HB3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 1.8=100 HB3 LYS 83 + HB2 LYS 83 OK 79 79 - 100 - 1.8=100 HB2 LEU 43 - HB2 LYS 13 OK 23 84 - 27 - 2010/3.0=3, ~2017=2...(12) HB2 ARG 84 - HB2 LYS 85 OK 16 100 - 16 - 3378=4, 378/4.0=2, ~3385=1 HB3 LYS 83 - HB2 LYS 85 OK 15 100 - 15 - 3445=2, 3443/4.0=1...(4) HB3 LYS 85 - HB3 LYS 75 OK 14 92 - 16 - 3445=2, 3444/3.0=1 HB3 LYS 85 - HB2 LYS 73 OK 13 78 - 17 - 3445=2, 6062/3.0=1, 3299/1.8=1 HB3 LYS 85 - HB2 LYS 83 OK 11 81 - 14 - 3299=2, 3297/4.0=1, 3444/3.0=1 HB3 LYS 85 - HB2 LYS 13 OK 11 84 - 13 - 3445=2, 3448/3.0=1 HB3 LYS 85 - HB3 LYS 73 OK 11 66 - 16 - 3299=2, 6062/3.0=1, 3445/1.8=1 HB2 LEU 43 - HB2 LYS 85 OK 11 100 - 11 - ~2018=1 HB2 ARG 84 - HB2 LYS 73 OK 10 77 - 13 - 3378=3, 3378/1.8=1 HB2 ARG 84 - HB3 LYS 73 poor 8 65 - 13 - 3378=2, 3378/1.8=2 HB3 LEU 64 - HB3 LYS 39 poor 8 46 - 18 - 2630/2.9=1, 2627/3.0=1...(5) HB2 ARG 84 - HB2 LYS 83 poor 8 80 - 10 - 3378=2, 842/4.3=2 HB3 LYS 83 - HB3 LYS 75 lone 6 91 - 7 - HB2 LEU 29 - HB2 LYS 73 lone 5 76 - 7 - 1484/3.0=1 HB2 LEU 29 - HB2 LYS 85 lone 5 99 - 5 - HB3 LYS 83 - HB2 LYS 73 lone 5 77 - 6 - HB2 LEU 29 - HB3 LYS 73 lone 4 64 - 7 - 1484/3.0=1 HB3 LYS 83 - HB3 LYS 73 lone 4 65 - 6 - HB2 LEU 29 - HB2 LYS 13 lone 4 82 - 5 - 1487/1.8=1 HB3 LYS 85 - HB3 LYS 39 lone 4 75 - 5 - HB2 ARG 84 - HB3 LYS 75 lone 3 91 - 4 - HG2 ARG 70 - HB2 LYS 85 lone 3 93 - 4 - HB2 LEU 29 - HB3 LYS 75 lone 3 90 - 4 - HB2 ARG 84 - HB3 LYS 39 lone 3 74 - 4 - HB2 LEU 43 - HB3 LYS 39 lone 3 75 - 4 - HG2 ARG 70 - HB3 LYS 75 lone 3 82 - 4 - HB2 LEU 43 - HB2 LYS 83 lone 3 80 - 3 - HB3 LYS 83 - HB3 LYS 39 lone 3 74 - 4 - HB3 LYS 83 - HB2 LYS 13 lone 3 83 - 3 - HB2 ARG 82 - HB2 LYS 83 lone 2 44 - 5 - 833/4.0=2 HG2 ARG 70 - HB2 LYS 73 lone 2 68 - 3 - HB2 LEU 29 - HB2 LYS 83 lone 2 79 - 3 - HB2 LEU 29 - HB3 LYS 39 lone 2 73 - 3 - HB2 LEU 62 - HB3 LYS 39 lone 2 48 - 4 - HG2 ARG 70 - HB3 LYS 73 lone 2 57 - 4 - HB3 LEU 64 - HB3 LYS 75 lone 2 60 - 3 - HB2 LEU 62 - HB2 LYS 73 lone 2 50 - 4 - HB2 ARG 84 - HB2 LYS 13 lone 2 83 - 2 - HB2 ARG 82 - HB2 LYS 73 lone 2 42 - 4 - HG3 ARG 71 - HB2 LYS 73 lone 2 40 - 4 - HB2 LEU 43 - HB3 LYS 75 lone 1 92 - 2 - HB3 ARG 17 - HB2 LYS 85 lone 1 81 - 2 - HB2 LEU 62 - HB3 LYS 73 lone 1 41 - 3 - HB2 ARG 82 - HB3 LYS 73 lone 1 34 - 4 - HB2 ARG 82 - HB2 LYS 85 lone 1 63 - 2 - HB3 ARG 17 - HB2 LYS 73 lone 1 56 - 2 - HG3 ARG 71 - HB3 LYS 75 lone 1 50 - 2 - HB2 LEU 43 - HB2 LYS 73 lone 1 78 - 1 - HB2 ARG 82 - HB3 LYS 39 lone 1 40 - 3 - HB2 LEU 62 - HB2 LYS 85 lone 1 73 - 2 - HB3 LEU 64 - HB2 LYS 13 lone 1 53 - 2 - HG3 ARG 71 - HB3 LYS 73 lone 1 33 - 3 - HB3 ARG 17 - HB3 LYS 73 lone 1 46 - 2 - HB3 LEU 64 - HB2 LYS 83 lone 1 50 - 2 - HB3 ARG 17 - HB3 LYS 39 lone 1 53 - 2 - HG2 ARG 70 - HB2 LYS 83 lone 1 70 - 1 - HB3 LEU 64 - HB2 LYS 85 lone 1 71 - 1 - HG3 ARG 71 - HB2 LYS 85 lone 1 60 - 1 - HB2 LEU 43 - HB3 LYS 73 lone 1 66 - 1 - HG2 ARG 70 - HB2 LYS 13 lone 1 74 - 1 - HB3 ARG 17 - HB3 LYS 75 lone 1 69 - 1 - HB2 ARG 82 - HB3 LYS 75 lone 1 52 - 1 - HG2 ARG 70 - HB3 LYS 39 lone 1 65 - 1 - HB2 LEU 62 - HB3 LYS 75 lone 1 62 - 1 - HB3 ARG 17 - HB2 LYS 83 lone 1 58 - 1 - HB2 ARG 82 - HB2 LYS 13 lone 1 46 - 1 - HG3 ARG 26 - HB2 LYS 85 lone 0 68 - 1 - HG3 ARG 71 - HB3 LYS 39 lone 0 38 - 1 - HG3 ARG 26 - HB2 LYS 73 lone 0 46 - 1 - HG3 ARG 66 - HB2 LYS 85 lone 0 65 - 1 - HB2 LEU 62 - HB2 LYS 13 lone 0 55 - 1 - HG3 ARG 26 - HB3 LYS 73 lone 0 38 - 1 - HB3 LEU 64 - HB2 LYS 73 lone 0 48 - 1 - HG3 ARG 66 - HB2 LYS 13 lone 0 48 - 1 - HB2 LEU 62 - HB2 LYS 83 lone 0 52 - 1 - HB3 LEU 64 - HB3 LYS 73 lone 0 40 - 1 - HG3 ARG 66 - HB3 LYS 75 lone 0 55 - 1 - HG3 ARG 66 - HB3 LYS 39 lone 0 42 - 1 - HB3 ARG 17 - HB2 LYS 13 lone 0 61 - 0 - HG3 ARG 66 - HB2 LYS 83 lone 0 46 - 1 - HG3 ARG 26 - HB3 LYS 75 lone 0 57 - 0 - HG3 ARG 71 - HB2 LYS 83 lone 0 42 - 1 - HG3 ARG 66 - HB2 LYS 73 lone 0 44 - 0 - HG3 ARG 26 - HB2 LYS 83 lone 0 48 - 0 - HG3 ARG 71 - HB2 LYS 13 lone 0 44 - 0 - HG3 ARG 26 - HB3 LYS 39 lone 0 44 - 0 - HG3 ARG 26 - HB2 LYS 13 lone 0 51 - 0 - HG3 ARG 66 - HB3 LYS 73 lone 0 36 - 1 - Peak 3437 from cnoeabs.peaks (1.38, 1.80, 32.58 ppm; 3.15 A): 6 out of 91 assignments used, quality = 1.00: * HG2 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 2.9=100 HG2 LYS 75 + HB3 LYS 75 OK 84 84 - 100 - 2.7=100 HG3 LYS 75 + HB3 LYS 75 OK 84 84 - 100 - 2.7=100 HG2 LYS 83 + HB2 LYS 83 OK 76 76 - 100 - 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 73 73 - 100 - 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 61 61 - 100 - 2.9=100 HG3 LYS 39 - HB3 LYS 39 OK 42 42 - 100 - 2.9=100 HG2 LYS 75 - HB3 LYS 39 OK 32 67 - 48 - 3108/1.8=2, ~1837=2...(23) HG3 LYS 75 - HB3 LYS 39 OK 32 67 - 48 - 3108/1.8=2, ~1837=2...(23) HG2 LYS 75 - HB2 LYS 85 OK 26 96 - 28 - 3447/1.8=2, 3427/3.0=2...(5) HG3 LYS 75 - HB2 LYS 85 OK 26 96 - 28 - 3447/1.8=2, 3427/3.0=2...(5) HG2 LYS 75 - HB2 LYS 73 OK 26 70 - 38 - 2993/2.9=2, 2963/3.0=2...(6) HG3 LYS 75 - HB2 LYS 73 OK 26 70 - 38 - 2993/2.9=2, 2963/3.0=2...(6) HG3 LYS 73 - HB3 LYS 75 OK 26 87 - 30 - 3071/3.0=2, ~2990=1...(6) HG3 LYS 75 - HB2 LYS 13 OK 25 76 - 33 - 3467/3.0=2, 3.9/3069=2...(9) HG2 LYS 75 - HB2 LYS 13 OK 25 76 - 33 - 3467/3.0=2, 3.9/3069=2...(9) HG3 LYS 73 - HB2 LYS 85 OK 25 97 - 26 - 3447/1.8=2, ~3448=2...(6) HG3 ARG 69 - HB3 LYS 75 OK 23 92 - 25 - 2818=3, 3944/4.6=3...(8) HG3 LYS 39 - HB3 LYS 75 OK 22 55 - 41 - ~1864=4, 1874/1.8=3...(13) HG3 LYS 75 - HB3 LYS 73 OK 22 59 - 38 - 3.9/3069=2, 2993/2.9=2...(10) HG2 LYS 75 - HB3 LYS 73 OK 22 59 - 38 - 3.9/3069=2, 2993/2.9=2...(10) HB3 ARG 69 - HB3 LYS 75 OK 22 77 - 28 - 2802=3, 3942/4.6=2...(11) HG3 ARG 69 - HB2 LYS 73 OK 21 78 - 27 - 2818=3, 3.0/2802=2...(10) HG2 LYS 85 - HB2 LYS 73 OK 20 78 - 26 - 3000=2, 2.9/3445=1...(8) HB3 ARG 69 - HB2 LYS 73 OK 19 63 - 30 - 2802=3, 2802/1.8=2...(9) HG2 LYS 85 - HB3 LYS 75 OK 18 92 - 19 - 3070/3.0=2, 2.9/3445=1...(4) HG2 LYS 85 - HB2 LYS 13 OK 17 84 - 20 - ~1014=2, 2.9/3445=1...(4) HG3 ARG 69 - HB3 LYS 73 OK 17 66 - 26 - 2818/1.8=2, 2818=2...(9) HB3 ARG 69 - HB2 LYS 85 OK 16 89 - 18 - 2802=2, 3.0/2818=1...(6) HG2 LYS 85 - HB2 LYS 83 OK 16 81 - 20 - ~3448=2, 3447/1.8=2...(5) HG2 LYS 85 - HB3 LYS 73 OK 16 66 - 24 - 3000/1.8=1, 2.9/3299=1...(7) HG3 ARG 69 - HB2 LYS 85 OK 16 100 - 16 - 2818=2, 3.0/2802=2...(4) HG2 LYS 83 - HB2 LYS 85 OK 16 98 - 16 - 2.9/3445=1, 3447/1.8=1 HB3 ARG 69 - HB3 LYS 73 OK 15 53 - 28 - 2802/1.8=3, 2802=2...(11) HG3 LYS 73 - HB2 LYS 13 OK 13 79 - 16 - ~1014=1 HG3 LYS 73 - HB3 LYS 39 OK 12 70 - 18 - HB3 ARG 69 - HB2 LYS 13 OK 11 69 - 16 - 2802=2, ~4819=2...(6) HG3 ARG 69 - HB2 LYS 13 OK 10 84 - 12 - 2818=1, 3.0/2802=1...(4) HG3 ARG 69 - HB3 LYS 39 poor 9 75 - 12 - 2818=1, 3.0/2802=1, 1.8/2810=1 HB3 ARG 69 - HB3 LYS 39 poor 9 60 - 14 - 2802=2, 6077/4.4=1...(4) HG3 LYS 75 - HB2 LYS 83 poor 8 73 - 11 - HG2 LYS 75 - HB2 LYS 83 poor 8 73 - 11 - QB ALA 77 - HB3 LYS 75 lone 7 92 - 8 - 5066/4.6=1, ~817=1 HG3 LYS 39 - HB2 LYS 73 poor 7 44 - 16 - ~1865=1 QB ALA 53 - HB2 LYS 73 lone 7 66 - 10 - 2297/3.0=1 HG3 LYS 73 - HB2 LYS 83 lone 7 75 - 9 - HG3 LYS 39 - HB2 LYS 13 poor 6 48 - 13 - 1.8/1865=1 HG2 LYS 83 - HB3 LYS 75 lone 6 88 - 7 - QB ALA 53 - HB3 LYS 39 lone 6 63 - 10 - 2296/4.4=1, ~3805=1...(4) HG3 LYS 39 - HB3 LYS 73 poor 6 36 - 16 - 1.8/1865=1 HG3 LYS 39 - HB2 LYS 85 lone 6 65 - 9 - HG2 LYS 85 - HB3 LYS 39 lone 6 75 - 7 - QB ALA 77 - HB2 LYS 85 lone 5 100 - 5 - HG2 LYS 83 - HB2 LYS 73 lone 5 74 - 7 - QB ALA 53 - HB3 LYS 73 lone 5 55 - 9 - 2297/3.0=1 QB ALA 77 - HB2 LYS 73 lone 5 78 - 6 - 3989/4.3=2 HG2 LYS 83 - HB3 LYS 73 lone 5 62 - 8 - QB ALA 78 - HB2 LYS 73 lone 5 73 - 6 - HG3 ARG 69 - HB2 LYS 83 lone 4 80 - 5 - QB ALA 77 - HB3 LYS 73 lone 4 66 - 6 - 3989/4.3=2 HB3 ARG 69 - HB2 LYS 83 lone 4 65 - 6 - QB ALA 78 - HB3 LYS 73 lone 4 61 - 6 - QB ALA 78 - HB2 LYS 85 lone 4 97 - 4 - QB ALA 77 - HB2 LYS 83 lone 3 80 - 4 - QB ALA 78 - HB3 LYS 75 lone 3 87 - 4 - HG2 LYS 83 - HB2 LYS 13 lone 3 80 - 4 - QB ALA 53 - HB3 LYS 75 lone 3 80 - 4 - HG2 LYS 83 - HB3 LYS 39 lone 3 71 - 4 - HG3 LYS 39 - HB2 LYS 83 lone 3 46 - 6 - QB ALA 20 - HB3 LYS 75 lone 3 92 - 3 - QB ALA 53 - HB2 LYS 85 lone 2 92 - 2 - QB ALA 20 - HB2 LYS 83 lone 2 81 - 2 - QB ALA 20 - HB3 LYS 39 lone 2 75 - 3 - QB ALA 78 - HB2 LYS 83 lone 2 75 - 2 - QB ALA 20 - HB2 LYS 85 lone 2 100 - 2 - QB ALA 77 - HB3 LYS 39 lone 2 75 - 2 - QB ALA 16 - HB2 LYS 85 lone 1 87 - 1 - QB ALA 20 - HB2 LYS 73 lone 1 78 - 1 - QB ALA 20 - HB3 LYS 73 lone 1 66 - 2 - QB ALA 53 - HB2 LYS 13 lone 1 72 - 1 - QB ALA 78 - HB3 LYS 39 lone 1 70 - 1 - QB ALA 53 - HB2 LYS 83 lone 1 69 - 1 - QB ALA 16 - HB2 LYS 83 lone 1 64 - 1 - QB ALA 16 - HB2 LYS 73 lone 1 61 - 1 - QB ALA 77 - HB2 LYS 13 lone 1 84 - 1 - QB ALA 78 - HB2 LYS 13 lone 1 79 - 1 - QB ALA 20 - HB2 LYS 13 lone 1 84 - 1 - QB ALA 16 - HB3 LYS 75 lone 1 75 - 1 - QB ALA 16 - HB3 LYS 73 lone 1 51 - 1 - QB ALA 16 - HB3 LYS 39 lone 0 59 - 1 - QB ALA 16 - HB2 LYS 13 lone 0 67 - 0 - Peak 3438 from cnoeabs.peaks (1.45, 1.80, 32.58 ppm; 3.29 A): 3 out of 63 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 - 100 - 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 84 84 - 100 - 3.0=100 HG2 LYS 73 + HB2 LYS 73 OK 48 48 - 100 - 2.9=100 HG2 LYS 73 - HB3 LYS 73 OK 40 40 - 100 - 2.9=100 HB3 LEU 43 - HB2 LYS 13 OK 36 71 - 51 - 2017/3.0=7, ~2010=5...(26) HG3 LYS 13 - HB3 LYS 75 OK 32 91 - 36 - 1.8/1021=4, 3.0/1011=3...(15) HG13 ILE 89 - HB2 LYS 73 OK 27 68 - 41 - 3627=4, 3.2/3613=4...(19) HG3 LYS 13 - HB2 LYS 85 OK 24 100 - 24 - 3448/1.8=3, 1.8/1021=3...(7) HG3 LYS 85 - HB3 LYS 75 OK 23 92 - 25 - 5849/4.0=2, 3464/3.0=2...(9) HG13 ILE 89 - HB3 LYS 73 OK 21 57 - 37 - 3627/1.8=4, ~3634=3...(17) HG3 LYS 85 - HB2 LYS 73 OK 21 78 - 27 - 3465=1, 2.9/3445=1...(8) HG2 LYS 73 - HB3 LYS 75 OK 20 60 - 34 - 5849/4.0=2, 2990/1.8=2...(12) HG3 LYS 85 - HB2 LYS 13 OK 20 84 - 24 - 1014/1.8=3, 1024/3.0=2...(7) HG2 LYS 73 - HB2 LYS 85 OK 20 71 - 28 - 3448/1.8=2, 2990=2...(7) HB3 LEU 43 - HB2 LYS 85 OK 19 90 - 21 - 2018/1.8=3, 3428/3.0=2...(6) HG3 LYS 85 - HB3 LYS 73 OK 17 66 - 26 - 1031=2, 789/4.0=1...(6) HG3 LYS 85 - HB2 LYS 83 OK 17 81 - 21 - 3448/1.8=3, 3428/3.0=2...(5) HG3 LYS 13 - HB3 LYS 39 OK 16 75 - 22 - 1.8/1021=3, 3.0/1011=2...(4) HG13 ILE 89 - HB2 LYS 85 OK 16 93 - 17 - 3448/1.8=2, 3.2/3613=1...(6) HG3 LYS 13 - HB2 LYS 73 OK 16 78 - 20 - ~1021=2, 2990=1, 1031/1.8=1 HG3 LYS 13 - HB3 LYS 73 OK 15 66 - 23 - 1.8/1021=3, 3.0/1011=2...(4) HG13 ILE 89 - HB2 LYS 13 OK 13 74 - 18 - 1024/3.0=2, ~5274=2...(6) HG12 ILE 33 - HB2 LYS 13 OK 12 80 - 15 - ~4222=2, 1014/1.8=2, 1024/3.0=2 HG2 LYS 73 - HB2 LYS 13 poor 10 53 - 19 - 1014/1.8=2, 1024/3.0=2 HG2 LYS 73 - HB3 LYS 39 poor 9 46 - 20 - ~1867=1, 1031=1 HB3 LEU 57 - HB2 LYS 73 poor 9 66 - 13 - 2442/4.3=2, 2444/1.8=1 HG13 ILE 89 - HB3 LYS 75 poor 9 82 - 11 - ~5274=1, 3627/1.8=1, ~3634=1 HB3 LEU 57 - HB3 LYS 73 poor 7 55 - 13 - 2442/4.3=2, 789/4.0=1 HB3 LEU 57 - HB2 LYS 13 lone 7 72 - 10 - 1014/1.8=1 QB ALA 30 - HB2 LYS 13 lone 7 81 - 9 - 1014/1.8=1, ~4842=1 HG3 LYS 85 - HB3 LYS 39 lone 7 75 - 9 - HB3 LEU 43 - HB3 LYS 39 poor 6 62 - 10 - ~5111=1, ~5357=1...(4) HB3 LEU 52 - HB2 LYS 13 lone 5 63 - 8 - 2266/4.8=3, 471/3.9=1 HG3 LYS 13 - HB2 LYS 83 lone 5 80 - 6 - QB ALA 30 - HB2 LYS 85 lone 5 99 - 5 - HB3 LEU 57 - HB3 LYS 39 lone 5 63 - 7 - HG2 LYS 73 - HB2 LYS 83 lone 5 50 - 9 - HB3 LEU 43 - HB2 LYS 83 lone 5 67 - 7 - 2018/1.8=1 QB ALA 30 - HB2 LYS 73 lone 4 75 - 5 - HG12 ILE 33 - HB2 LYS 85 lone 4 98 - 4 - HB3 LEU 43 - HB3 LYS 75 lone 3 78 - 4 - HG12 ILE 33 - HB2 LYS 73 lone 3 74 - 4 - QB ALA 30 - HB3 LYS 75 lone 3 89 - 3 - HG13 ILE 89 - HB3 LYS 39 lone 3 65 - 5 - ~5274=1 QB ALA 30 - HB3 LYS 73 lone 3 63 - 5 - HB3 LEU 57 - HB3 LYS 75 lone 3 80 - 3 - HB3 LEU 52 - HB3 LYS 73 lone 3 48 - 6 - HB3 LEU 52 - HB2 LYS 73 lone 3 58 - 5 - HB3 LEU 57 - HB2 LYS 85 lone 3 92 - 3 - HB3 LEU 52 - HB3 LYS 39 lone 2 55 - 4 - 3864/4.4=3 HG12 ILE 33 - HB3 LYS 73 lone 2 62 - 4 - HB3 LEU 43 - HB2 LYS 73 lone 2 65 - 4 - HG12 ILE 33 - HB3 LYS 75 lone 2 88 - 3 - QB ALA 30 - HB2 LYS 83 lone 2 77 - 3 - HG13 ILE 89 - HB2 LYS 83 lone 2 70 - 3 - HB3 LEU 43 - HB3 LYS 73 lone 2 54 - 3 - HG12 ILE 33 - HB3 LYS 39 lone 2 71 - 3 - HB3 LEU 52 - HB2 LYS 85 lone 2 83 - 2 - HG12 ILE 33 - HB2 LYS 83 lone 1 76 - 1 - HB3 LEU 52 - HB3 LYS 75 lone 1 71 - 1 - QB ALA 30 - HB3 LYS 39 lone 1 72 - 1 - HB3 LEU 57 - HB2 LYS 83 lone 1 69 - 1 - HB3 LEU 52 - HB2 LYS 83 lone 1 60 - 1 - Peak 3443 from cnoeabs.peaks (8.11, 1.72, 32.58 ppm; 4.46 A): 1 out of 10 assignments used, quality = 1.00: * H LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 4.0=100 H LYS 85 - HB3 LYS 83 OK 37 100 - 38 - 4.6/369=6, 378=5...(14) H LYS 75 - HB3 LYS 85 OK 34 93 - 37 - 3423/3.0=4, 5849/2.9=4...(16) H LYS 75 - HB3 LYS 83 OK 17 92 - 18 - 3.6/6055=4, 3423/3.0=2...(6) H ARG 71 - HB3 LYS 85 OK 13 100 - 13 - 307=2, 3.6/2844=2...(5) H ARG 71 - HB3 LYS 83 lone 7 100 - 7 - 307=1 H ARG 26 - HB3 LYS 85 lone 3 68 - 4 - H ARG 26 - HB3 LYS 83 lone 2 67 - 3 - H THR 88 - HB3 LYS 85 lone 1 68 - 2 - H THR 88 - HB3 LYS 83 lone 1 67 - 1 - Peak 3444 from cnoeabs.peaks (4.23, 1.72, 32.58 ppm; 3.49 A): 2 out of 20 assignments used, quality = 1.00: * HA LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 3.0=100 HA LYS 83 + HB3 LYS 83 OK 92 92 - 100 - 3.0=100 HA LYS 83 - HB3 LYS 85 OK 33 93 - 36 - 2.9/3297=4, 3280=4...(14) HA LYS 75 - HB3 LYS 85 OK 31 92 - 34 - 3069/1.8=3, 3.0/3443=3...(11) HA LYS 85 - HB3 LYS 83 OK 31 100 - 31 - 3426=4, 2.9/3443=3...(12) HA LYS 75 - HB3 LYS 83 OK 14 91 - 15 - 3.0/3443=2, 3069/1.8=2 HA LYS 39 - HB3 LYS 85 poor 9 81 - 11 - 385/4.6=1 HA ALA 77 - HB3 LYS 85 lone 6 100 - 6 - 3.0/5993=1 HA THR 15 - HB3 LYS 83 lone 6 87 - 7 - 1128/4.3=1 HA LYS 39 - HB3 LYS 83 lone 6 79 - 7 - HA ALA 77 - HB3 LYS 83 lone 5 99 - 5 - HA GLU 19 - HB3 LYS 83 lone 5 61 - 8 - 831/4.0=1 HA THR 15 - HB3 LYS 85 lone 4 89 - 4 - HA ALA 78 - HB3 LYS 85 lone 4 76 - 5 - HA ALA 12 - HB3 LYS 85 lone 3 60 - 4 - 3.6/5995=2 HA ALA 78 - HB3 LYS 83 lone 2 74 - 3 - HA GLU 19 - HB3 LYS 85 lone 2 63 - 4 - HB THR 37 - HB3 LYS 85 lone 2 99 - 2 - HB THR 37 - HB3 LYS 83 lone 2 99 - 2 - HA ALA 12 - HB3 LYS 83 lone 1 59 - 2 - Peak 3445 from cnoeabs.peaks (1.80, 1.72, 32.58 ppm; 2.40 A): 2 out of 26 assignments used, quality = 1.00: * HB2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 1.8=100 HB2 LYS 83 + HB3 LYS 83 OK 79 79 - 100 - 1.8=100 HB3 ARG 84 - HB3 LYS 85 OK 16 100 - 16 - 3385=4, 4.6/378=2...(4) HB2 LYS 85 - HB3 LYS 83 OK 14 100 - 15 - 3436=2, 4.0/3443=1...(4) HB3 LYS 75 - HB3 LYS 85 OK 14 92 - 15 - 3436=2, 3.0/3444=1 HB2 LYS 73 - HB3 LYS 85 OK 13 83 - 16 - 3.0/6062=1, 3436=1, 1.8/3290=1 HB2 LYS 13 - HB3 LYS 85 OK 12 95 - 13 - 3436=1, 3.0/3448=1 HB3 LYS 73 - HB3 LYS 85 OK 11 71 - 16 - 3.0/6062=1, 3290=1 HB3 ARG 84 - HB3 LYS 83 OK 11 100 - 11 - 3385=3, 843/4.3=2, 3.0/6062=1 HB2 LYS 83 - HB3 LYS 85 OK 11 81 - 14 - 4.0/3297=1, 3290=1, 3.0/3444=1 HB ILE 89 - HB3 LYS 85 poor 8 81 - 10 - 3.0/6062=1 HB2 ARG 69 - HB3 LYS 85 lone 7 100 - 7 - HB3 LYS 75 - HB3 LYS 83 lone 6 91 - 7 - HB2 LYS 73 - HB3 LYS 83 lone 5 81 - 6 - HB3 LYS 39 - HB3 LYS 85 lone 4 83 - 5 - HB3 LYS 73 - HB3 LYS 83 lone 4 69 - 6 - HB3 LYS 39 - HB3 LYS 83 lone 3 81 - 4 - HB2 LYS 13 - HB3 LYS 83 lone 3 93 - 3 - HB2 ARG 69 - HB3 LYS 83 lone 3 100 - 3 - HB ILE 89 - HB3 LYS 83 lone 2 79 - 2 - HB2 LYS 32 - HB3 LYS 85 lone 1 60 - 2 - HB3 LYS 32 - HB3 LYS 85 lone 1 60 - 2 - HB2 PRO 34 - HB3 LYS 85 lone 1 76 - 1 - HB2 LYS 32 - HB3 LYS 83 lone 1 59 - 1 - HB3 LYS 32 - HB3 LYS 83 lone 1 59 - 1 - HB2 PRO 34 - HB3 LYS 83 lone 1 74 - 1 - Peak 3446 from cnoeabs.peaks (1.72, 1.72, 32.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 HB3 LYS 83 + HB3 LYS 83 OK 99 99 - 100 Peak 3447 from cnoeabs.peaks (1.38, 1.72, 32.58 ppm; 3.55 A): 2 out of 26 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 2.9=100 HG2 LYS 83 + HB3 LYS 83 OK 97 97 - 100 - 2.9=100 HG3 LYS 75 - HB3 LYS 85 OK 38 96 - 39 - 4.8/3443=2, 3427/3.0=2...(9) HG2 LYS 75 - HB3 LYS 85 OK 38 96 - 39 - 4.8/3443=2, 3427/3.0=2...(9) HG3 LYS 73 - HB3 LYS 85 OK 36 97 - 37 - 3.8/6062=3, 1.8/3448=3...(12) HG2 LYS 85 - HB3 LYS 83 OK 29 100 - 30 - 1.8/3448=3, 4.8/3443=2...(10) HG2 LYS 83 - HB3 LYS 85 OK 23 98 - 24 - 4.6/3297=3, 3.7/3444=2...(6) HG3 ARG 69 - HB3 LYS 85 OK 16 100 - 16 - 2818/1.8=2, ~2802=1, ~2810=1 HB3 ARG 69 - HB3 LYS 85 OK 16 89 - 18 - 2802/1.8=2, ~2818=1...(5) HG3 LYS 75 - HB3 LYS 83 OK 16 94 - 16 - 4.8/3443=1, 5897/4.0=1 HG2 LYS 75 - HB3 LYS 83 OK 16 94 - 16 - 4.8/3443=1, 5897/4.0=1 HG3 LYS 73 - HB3 LYS 83 OK 14 96 - 14 - 5897/4.0=1, 3.8/6062=1...(4) HG3 LYS 39 - HB3 LYS 85 poor 8 65 - 12 - 5895/4.6=1 QB ALA 77 - HB3 LYS 85 lone 8 100 - 8 - 2.9/5993=1 QB ALA 77 - HB3 LYS 83 lone 7 100 - 7 - 2.9/5993=1 HG3 ARG 69 - HB3 LYS 83 lone 6 100 - 6 - QB ALA 78 - HB3 LYS 85 lone 6 97 - 6 - HB3 ARG 69 - HB3 LYS 83 lone 6 87 - 6 - HG3 LYS 39 - HB3 LYS 83 lone 5 64 - 7 - QB ALA 78 - HB3 LYS 83 lone 4 96 - 4 - QB ALA 20 - HB3 LYS 83 lone 3 100 - 3 - QB ALA 53 - HB3 LYS 85 lone 3 92 - 3 - QB ALA 20 - HB3 LYS 85 lone 2 100 - 2 - QB ALA 16 - HB3 LYS 85 lone 2 87 - 2 - QB ALA 16 - HB3 LYS 83 lone 2 85 - 2 - QB ALA 53 - HB3 LYS 83 lone 2 91 - 2 - Peak 3448 from cnoeabs.peaks (1.45, 1.72, 32.58 ppm; 3.93 A): 1 out of 18 assignments used, quality = 1.00: * HG3 LYS 85 + HB3 LYS 85 OK 100 100 - 100 - 2.9=100 HB3 LEU 43 - HB3 LYS 85 OK 34 90 - 38 - 2018=5, 3.1/2032=3...(16) HG3 LYS 85 - HB3 LYS 83 OK 34 100 - 34 - 4.8/3443=3, 3466=3...(14) HG3 LYS 13 - HB3 LYS 85 OK 33 100 - 33 - ~1021=3, 3466=2...(13) HG2 LYS 73 - HB3 LYS 85 OK 30 71 - 43 - 3.8/6062=4, 1.8/3447=3...(12) HG13 ILE 89 - HB3 LYS 85 OK 23 93 - 24 - 4.0/6062=2, 3627/1.8=2...(12) HB3 LEU 43 - HB3 LYS 83 OK 13 89 - 14 - 2018=2, 3.1/2032=1...(4) HG2 LYS 73 - HB3 LYS 83 OK 11 69 - 16 - 3.8/6062=1, 1.8/3447=1 QB ALA 30 - HB3 LYS 85 lone 9 99 - 9 - 2.9/81=2, 4843=1, 4.5/6062=1 HG3 LYS 13 - HB3 LYS 83 lone 9 99 - 9 - QB ALA 30 - HB3 LYS 83 lone 6 98 - 6 - 2.9/81=1, 5539/4.3=1 HG13 ILE 89 - HB3 LYS 83 lone 5 92 - 6 - 3625/4.3=1 HG12 ILE 33 - HB3 LYS 85 lone 5 98 - 5 - HB3 LEU 57 - HB3 LYS 85 lone 4 92 - 4 - HG12 ILE 33 - HB3 LYS 83 lone 2 97 - 2 - HB3 LEU 52 - HB3 LYS 85 lone 2 83 - 2 - HB3 LEU 57 - HB3 LYS 83 lone 2 91 - 2 - HB3 LEU 52 - HB3 LYS 83 lone 1 81 - 1 - Peak 3454 from cnoeabs.peaks (4.23, 1.38, 24.55 ppm; 3.73 A): 4 out of 50 assignments used, quality = 1.00: * HA LYS 85 + HG2 LYS 85 OK 94 100 - 94 - 3.8=92, 385/4.7=14...(9) HA LYS 83 + HG2 LYS 83 OK 80 81 - 99 - 3.7=99 HA LYS 75 + HG3 LYS 75 OK 47 49 - 95 - 3.9=89, 3071/1.8=9...(21) HA LYS 75 + HG2 LYS 75 OK 47 49 - 95 - 3.9=89, 3071/1.8=9...(21) HA LYS 75 - HG3 LYS 73 OK 36 87 - 42 - 3071=4, 3068/2.9=4...(18) HA LYS 85 - HG3 LYS 73 OK 32 97 - 33 - 3427=3, 3428/1.8=2...(14) HA LYS 75 - HG2 LYS 85 OK 30 92 - 33 - 3070=3, 3066/4.8=3...(10) HA LYS 83 - HG2 LYS 85 OK 28 93 - 30 - 2.9/5897=3, 3444/2.9=3...(14) HA LYS 39 - HG2 LYS 75 OK 24 41 - 59 - 1837/1.8=6, 1834/2.7=6...(25) HA LYS 39 - HG3 LYS 75 OK 24 41 - 59 - 1837/1.8=6, 1834/2.7=6...(25) HA LYS 85 - HG2 LYS 75 OK 21 59 - 36 - 3427=4, 3427/1.8=3...(10) HA LYS 85 - HG3 LYS 75 OK 21 59 - 36 - 3427=4, 3427/1.8=3...(10) HA LYS 85 - HG2 LYS 83 OK 19 91 - 21 - 3444/2.9=3, 831/4.6=2...(10) HA LYS 39 - HG3 LYS 73 OK 18 75 - 24 - 1837=2, 1835/2.9=2...(7) HA LYS 83 - HG3 LYS 73 OK 14 88 - 16 - 2.9/5897=2, 6143=1...(4) HA LYS 75 - HG2 LYS 83 poor 9 80 - 11 - 3069/2.9=1, 3444/2.9=1 HA LYS 83 - HG3 LYS 75 poor 9 51 - 18 - 2.9/5897=1, 6143=1...(5) HA LYS 83 - HG2 LYS 75 poor 9 51 - 18 - 2.9/5897=1, 6143=1...(5) HA ALA 77 - HG3 LYS 75 poor 8 59 - 14 - 339/4.9=3, 3.0/818=2, ~818=1 HA ALA 77 - HG2 LYS 75 poor 8 59 - 14 - 339/4.9=3, 3.0/818=2, ~818=1 HA LYS 39 - HG2 LYS 85 poor 8 81 - 10 - 385/4.7=1 HA ALA 77 - HG2 LYS 85 lone 7 100 - 7 - HA ALA 77 - HG3 LYS 73 lone 6 97 - 6 - 3.0/818=1 HA ALA 78 - HG3 LYS 73 lone 5 70 - 8 - HA ALA 77 - HG2 LYS 83 lone 4 91 - 5 - HA ALA 78 - HG2 LYS 85 lone 4 76 - 5 - HA LYS 39 - HG2 LYS 83 lone 3 68 - 5 - HA THR 15 - HG2 LYS 85 lone 3 89 - 3 - HA ALA 78 - HG3 LYS 75 lone 3 38 - 8 - 3.6/358=1 HA ALA 78 - HG2 LYS 75 lone 3 38 - 8 - 3.6/358=1 HA THR 15 - HG2 LYS 83 lone 3 76 - 4 - HB THR 37 - HG3 LYS 73 lone 3 96 - 3 - HA GLU 19 - HG2 LYS 83 lone 2 52 - 5 - 831/4.6=1 HA THR 15 - HG3 LYS 73 lone 2 83 - 3 - HA GLU 19 - HG2 LYS 85 lone 2 63 - 3 - HB THR 37 - HG2 LYS 85 lone 2 99 - 2 - HB THR 37 - HG3 LYS 75 lone 2 58 - 3 - HB THR 37 - HG2 LYS 75 lone 2 58 - 3 - HA ALA 78 - HG2 LYS 83 lone 2 64 - 3 - HA ALA 12 - HG2 LYS 85 lone 1 60 - 2 - HB THR 37 - HG2 LYS 83 lone 1 90 - 1 - HA GLU 19 - HG3 LYS 73 lone 1 58 - 2 - HA THR 15 - HG2 LYS 75 lone 1 47 - 2 - HA THR 15 - HG3 LYS 75 lone 1 47 - 2 - HA GLU 19 - HG2 LYS 75 lone 1 30 - 3 - HA GLU 19 - HG3 LYS 75 lone 1 30 - 3 - HA ALA 12 - HG2 LYS 83 lone 1 49 - 1 - HA ALA 12 - HG3 LYS 73 lone 1 55 - 1 - HA ALA 12 - HG2 LYS 75 lone 0 29 - 2 - HA ALA 12 - HG3 LYS 75 lone 0 29 - 2 - Peak 3455 from cnoeabs.peaks (1.80, 1.38, 24.55 ppm; 3.17 A): 6 out of 65 assignments used, quality = 1.00: * HB2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 77 77 - 100 - 2.9=100 HB2 LYS 83 + HG2 LYS 83 OK 68 68 - 100 - 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 66 66 - 100 - 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 49 49 - 100 - 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 49 49 - 100 - 2.7=100 HB3 LYS 75 - HG3 LYS 73 OK 26 87 - 30 - 3.0/3070=2, ~2972=2...(5) HB2 LYS 85 - HG3 LYS 73 OK 25 97 - 26 - 1.8/3447=2, 2972/1.8=2...(5) HB2 ARG 69 - HG3 LYS 73 OK 22 97 - 22 - 2797=3, 3.0/2789=2...(7) HB2 LYS 73 - HG2 LYS 85 OK 21 83 - 26 - 2972/1.8=2, 3445/2.9=1...(8) HB3 LYS 39 - HG3 LYS 75 OK 21 43 - 49 - 2.9/1867=3, 3.0/1837=3...(22) HB3 LYS 39 - HG2 LYS 75 OK 21 43 - 49 - 2.9/1867=3, 3.0/1837=3...(22) HB ILE 89 - HG3 LYS 73 OK 20 75 - 27 - 3605/3.8=3, ~3613=2...(12) HB2 ARG 69 - HG3 LYS 75 OK 19 59 - 32 - 2797=4, 2795/1.8=3...(11) HB2 ARG 69 - HG2 LYS 75 OK 19 59 - 32 - 2797=4, 2795/1.8=3...(11) HB3 ARG 84 - HG2 LYS 85 OK 19 100 - 19 - 3385/2.9=2, 850/4.8=2...(7) HB2 LYS 13 - HG2 LYS 85 OK 19 95 - 20 - ~1014=2, ~1030=1...(4) HB3 LYS 75 - HG2 LYS 85 OK 18 92 - 19 - 3.0/3071=2, 3445/2.9=1 HB3 LYS 73 - HG2 LYS 85 OK 17 71 - 24 - ~2972=1, 3.0/2999=1...(7) HB3 ARG 84 - HG3 LYS 73 OK 17 97 - 17 - 3384/3.8=1, 1.8/3456=1 HB2 LYS 13 - HG3 LYS 75 OK 17 52 - 32 - 3.0/3467=2, ~1011=1, 3069/3.9=1 HB2 LYS 13 - HG2 LYS 75 OK 17 52 - 32 - 3.0/3467=2, ~1011=1, 3069/3.9=1 HB2 LYS 85 - HG2 LYS 75 OK 17 59 - 28 - 1.8/3447=2, 3.0/3427=2...(5) HB2 LYS 85 - HG3 LYS 75 OK 17 59 - 28 - 1.8/3447=2, 3.0/3427=2...(5) HB2 LYS 73 - HG3 LYS 75 OK 16 43 - 38 - 2973=2, 2.9/2993=2...(6) HB2 LYS 73 - HG2 LYS 75 OK 16 43 - 38 - 2973=2, 2.9/2993=2...(6) HB2 LYS 83 - HG2 LYS 85 OK 16 81 - 20 - ~3448=2, 1.8/3447=2...(5) HB3 LYS 39 - HG3 LYS 73 OK 15 77 - 19 - 2.9/1867=1, 3.0/1837=1 HB2 LYS 85 - HG2 LYS 83 OK 15 91 - 16 - 3445/2.9=1, 1.8/3447=1...(4) HB2 LYS 13 - HG3 LYS 73 OK 14 90 - 16 - ~1014=1 HB3 LYS 32 - HG3 LYS 73 OK 14 55 - 26 - HB2 LYS 32 - HG3 LYS 73 OK 14 55 - 26 - HB2 ARG 69 - HG2 LYS 85 OK 14 100 - 14 - 2797=2 HB ILE 89 - HG2 LYS 85 OK 14 81 - 17 - 5903/4.7=2, 3609/1.8=1, ~3616=1 HB3 LYS 73 - HG2 LYS 75 OK 13 35 - 38 - 2.9/2993=2, 3.0/2963=2...(9) HB3 LYS 73 - HG3 LYS 75 OK 13 35 - 38 - 2.9/2993=2, 3.0/2963=2...(9) HB3 ARG 84 - HG2 LYS 83 lone 9 91 - 10 - 3385/2.9=2 HB2 LYS 83 - HG3 LYS 73 lone 7 75 - 9 - HB3 LYS 39 - HG2 LYS 85 lone 6 83 - 8 - HB3 LYS 75 - HG2 LYS 83 lone 6 80 - 7 - HB2 LYS 73 - HG2 LYS 83 lone 5 70 - 7 - HB2 LYS 83 - HG3 LYS 75 poor 5 41 - 11 - HB2 LYS 83 - HG2 LYS 75 poor 5 41 - 11 - HB3 LYS 73 - HG2 LYS 83 lone 5 59 - 8 - HB2 ARG 69 - HG2 LYS 83 lone 4 91 - 5 - HB ILE 89 - HG3 LYS 75 lone 4 41 - 10 - HB ILE 89 - HG2 LYS 75 lone 4 41 - 10 - HB3 ARG 84 - HG3 LYS 75 lone 4 59 - 6 - HB3 ARG 84 - HG2 LYS 75 lone 4 59 - 6 - HB2 LYS 32 - HG3 LYS 75 poor 3 29 - 12 - HB2 LYS 32 - HG2 LYS 75 poor 3 29 - 12 - HB3 LYS 32 - HG3 LYS 75 poor 3 29 - 12 - HB3 LYS 32 - HG2 LYS 75 poor 3 29 - 12 - HB2 LYS 13 - HG2 LYS 83 lone 3 83 - 4 - HB3 LYS 39 - HG2 LYS 83 lone 3 70 - 4 - HB2 LYS 32 - HG2 LYS 85 lone 2 60 - 3 - HB3 LYS 32 - HG2 LYS 85 lone 2 60 - 3 - HB2 PRO 34 - HG3 LYS 73 lone 2 70 - 3 - HB ILE 89 - HG2 LYS 83 lone 1 68 - 2 - HB2 PRO 34 - HG2 LYS 85 lone 1 76 - 2 - HB2 PRO 34 - HG2 LYS 75 lone 1 38 - 2 - HB2 PRO 34 - HG3 LYS 75 lone 1 38 - 2 - HB2 LYS 32 - HG2 LYS 83 lone 1 49 - 2 - HB3 LYS 32 - HG2 LYS 83 lone 1 49 - 2 - HB2 PRO 34 - HG2 LYS 83 lone 1 64 - 1 - Peak 3456 from cnoeabs.peaks (1.72, 1.38, 24.55 ppm; 3.69 A): 2 out of 65 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 2.9=100 HB3 LYS 83 + HG2 LYS 83 OK 90 90 - 100 - 2.9=100 HB3 LYS 85 - HG3 LYS 73 OK 38 97 - 40 - 3447=4, 6062/3.8=3...(13) HB3 LYS 83 - HG2 LYS 85 OK 32 100 - 32 - 3448/1.8=3, 3447=3...(13) HB2 ARG 84 - HG2 LYS 85 OK 29 100 - 30 - 378/4.8=4, 3378/2.9=3...(11) HB3 LYS 85 - HG3 LYS 75 OK 26 59 - 44 - 3447=4, 3447/1.8=3...(10) HB3 LYS 85 - HG2 LYS 75 OK 26 59 - 44 - 3447=4, 3447/1.8=3...(10) HB2 ARG 84 - HG3 LYS 73 OK 26 97 - 27 - 3378/2.9=2, 3376/3.8=2...(7) HB2 LEU 43 - HG2 LYS 85 OK 24 100 - 24 - 2012/1.8=3, ~2018=2...(10) HB3 LYS 85 - HG2 LYS 83 OK 23 91 - 26 - 3297/4.6=4, 3447=2...(6) HB2 LEU 29 - HG3 LYS 73 OK 16 96 - 16 - 1484/3.8=2, 3764/4.9=2 HB3 LYS 83 - HG3 LYS 73 OK 15 96 - 16 - 4.0/5897=1, 3447=1...(4) HB2 ARG 84 - HG2 LYS 83 OK 13 91 - 14 - 3378/2.9=2, 833/4.6=1...(5) HB2 LEU 29 - HG2 LYS 85 OK 13 99 - 13 - 387/4.7=3 HB3 LYS 83 - HG2 LYS 75 OK 11 58 - 19 - 3447=2, 3447/1.8=1...(4) HB3 LYS 83 - HG3 LYS 75 OK 11 58 - 19 - 3447=2, 3447/1.8=1...(4) HG2 ARG 70 - HG3 LYS 73 poor 9 88 - 11 - 4.0/5983=2, 4.9/300=2 HG2 ARG 70 - HG2 LYS 85 lone 8 93 - 9 - 5488/4.8=2, 4.0/5983=1 HB2 LEU 29 - HG2 LYS 75 poor 7 58 - 13 - 1487/2.9=1, 1487/2.9=1 HB2 LEU 29 - HG3 LYS 75 poor 7 58 - 13 - 1487/2.9=1, 1487/2.9=1 HB2 LEU 62 - HG3 LYS 73 poor 7 68 - 11 - ~5005=1 HB2 ARG 82 - HG3 LYS 73 poor 7 58 - 12 - 3.0/5446=1, 4.4/5897=1 HG3 ARG 71 - HG3 LYS 73 poor 7 55 - 12 - 5.0/5839=2 HB2 ARG 82 - HG2 LYS 83 poor 6 52 - 12 - 833/4.6=4 HB2 LEU 43 - HG2 LYS 83 lone 6 91 - 6 - HB3 ARG 17 - HG3 LYS 73 lone 6 75 - 7 - HB2 LEU 29 - HG2 LYS 83 lone 5 90 - 6 - HB2 ARG 84 - HG3 LYS 75 lone 5 59 - 8 - HB2 ARG 84 - HG2 LYS 75 lone 5 59 - 8 - HB2 LEU 43 - HG3 LYS 73 lone 5 97 - 5 - HG2 ARG 70 - HG2 LYS 75 lone 5 51 - 9 - 4.0/5983=2, 5488/4.8=2...(4) HG2 ARG 70 - HG3 LYS 75 lone 5 51 - 9 - 4.0/5983=2, 5488/4.8=2...(4) HB2 ARG 82 - HG2 LYS 85 lone 4 63 - 7 - 4.4/5897=2 HB3 ARG 17 - HG2 LYS 85 lone 4 81 - 4 - HB2 LEU 62 - HG2 LYS 85 lone 3 73 - 5 - 387/4.7=1 HB2 LEU 43 - HG3 LYS 75 lone 3 59 - 5 - HB2 LEU 43 - HG2 LYS 75 lone 3 59 - 5 - HG3 ARG 71 - HG2 LYS 85 lone 3 60 - 4 - HB3 LEU 64 - HG2 LYS 75 lone 3 35 - 7 - HB3 LEU 64 - HG3 LYS 75 lone 3 35 - 7 - HB3 LEU 64 - HG2 LYS 85 lone 2 71 - 3 - HG2 ARG 70 - HG2 LYS 83 lone 2 81 - 3 - HB3 LEU 64 - HG2 LYS 83 lone 2 59 - 4 - HG3 ARG 71 - HG2 LYS 75 lone 2 29 - 7 - 5.0/5839=1 HG3 ARG 71 - HG3 LYS 75 lone 2 29 - 7 - 5.0/5839=1 HB3 LEU 64 - HG3 LYS 73 lone 2 66 - 3 - HG3 ARG 26 - HG3 LYS 73 lone 2 63 - 3 - HG3 ARG 66 - HG3 LYS 73 lone 2 60 - 3 - HB2 ARG 82 - HG2 LYS 75 lone 2 30 - 5 - 4.4/5897=1 HB2 ARG 82 - HG3 LYS 75 lone 2 30 - 5 - 4.4/5897=1 HB3 ARG 17 - HG2 LYS 83 lone 1 68 - 2 - HB2 LEU 62 - HG2 LYS 75 lone 1 37 - 4 - HB2 LEU 62 - HG3 LYS 75 lone 1 37 - 4 - HG3 ARG 26 - HG2 LYS 85 lone 1 68 - 2 - HG3 ARG 66 - HG2 LYS 85 lone 1 65 - 2 - HB2 LEU 62 - HG2 LYS 83 lone 1 61 - 2 - HB3 ARG 17 - HG2 LYS 75 lone 1 41 - 2 - HB3 ARG 17 - HG3 LYS 75 lone 1 41 - 2 - HG3 ARG 66 - HG3 LYS 75 lone 1 32 - 3 - HG3 ARG 66 - HG2 LYS 75 lone 1 32 - 3 - HG3 ARG 66 - HG2 LYS 83 lone 1 54 - 1 - HG3 ARG 71 - HG2 LYS 83 lone 1 49 - 1 - HG3 ARG 26 - HG2 LYS 83 lone 1 57 - 1 - HG3 ARG 26 - HG2 LYS 75 lone 0 33 - 1 - HG3 ARG 26 - HG3 LYS 75 lone 0 33 - 1 - Peak 3457 from cnoeabs.peaks (1.38, 1.38, 24.55 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 85 + HG2 LYS 85 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 93 93 - 100 HG2 LYS 83 + HG2 LYS 83 OK 87 87 - 100 HG2 LYS 75 + HG2 LYS 75 OK 53 53 - 100 HG3 LYS 75 + HG3 LYS 75 OK 53 53 - 100 Peak 3458 from cnoeabs.peaks (1.45, 1.38, 24.55 ppm; 2.40 A): 2 out of 45 assignments used, quality = 1.00: * HG3 LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 1.8=100 HG2 LYS 73 + HG3 LYS 73 OK 66 66 - 100 - 1.8=100 HG3 LYS 13 - HG3 LYS 75 OK 11 59 - 19 - HG3 LYS 13 - HG2 LYS 75 OK 11 59 - 19 - HG3 LYS 85 - HG3 LYS 73 OK 11 97 - 12 - HG13 ILE 89 - HG3 LYS 73 OK 11 88 - 13 - 3627/2.9=2, 2.1/5274=1...(6) HG3 LYS 13 - HG3 LYS 73 lone 9 97 - 9 - HG3 LYS 13 - HG2 LYS 85 lone 8 100 - 8 - 3448/2.9=1 HG2 LYS 73 - HG2 LYS 85 poor 8 71 - 11 - HB3 LEU 43 - HG2 LYS 85 lone 7 90 - 8 - 2018/2.9=1 HG2 LYS 73 - HG2 LYS 75 poor 7 35 - 20 - HG2 LYS 73 - HG3 LYS 75 poor 7 35 - 20 - HG3 LYS 85 - HG3 LYS 75 poor 7 59 - 12 - HG3 LYS 85 - HG2 LYS 75 poor 7 59 - 12 - HG13 ILE 89 - HG2 LYS 85 lone 6 93 - 7 - HG3 LYS 85 - HG2 LYS 83 lone 5 91 - 6 - 3448/2.9=1 HB3 LEU 57 - HG3 LYS 73 lone 5 87 - 6 - HG13 ILE 89 - HG2 LYS 75 lone 3 51 - 6 - HG13 ILE 89 - HG3 LYS 75 lone 3 51 - 6 - HB3 LEU 52 - HG3 LYS 73 lone 3 77 - 3 - QB ALA 30 - HG2 LYS 85 lone 2 99 - 2 - HG2 LYS 73 - HG2 LYS 83 lone 2 59 - 3 - HG3 LYS 13 - HG2 LYS 83 lone 2 91 - 2 - HG12 ILE 33 - HG2 LYS 85 lone 1 98 - 1 - QB ALA 30 - HG3 LYS 73 lone 1 95 - 2 - HB3 LEU 43 - HG2 LYS 83 lone 1 78 - 2 - HG12 ILE 33 - HG3 LYS 73 lone 1 94 - 1 - HB3 LEU 57 - HG2 LYS 85 lone 1 92 - 1 - HB3 LEU 43 - HG3 LYS 73 lone 1 85 - 1 - QB ALA 30 - HG3 LYS 75 lone 1 56 - 2 - QB ALA 30 - HG2 LYS 75 lone 1 56 - 2 - HB3 LEU 57 - HG3 LYS 75 lone 1 49 - 2 - HB3 LEU 57 - HG2 LYS 75 lone 1 49 - 2 - HG13 ILE 89 - HG2 LYS 83 lone 1 81 - 1 - QB ALA 30 - HG2 LYS 83 lone 1 88 - 1 - HG12 ILE 33 - HG3 LYS 75 lone 1 56 - 1 - HG12 ILE 33 - HG2 LYS 75 lone 1 56 - 1 - HB3 LEU 52 - HG2 LYS 85 lone 1 83 - 1 - HB3 LEU 43 - HG2 LYS 75 lone 1 48 - 1 - HB3 LEU 43 - HG3 LYS 75 lone 1 48 - 1 - HG12 ILE 33 - HG2 LYS 83 lone 0 87 - 0 - HB3 LEU 57 - HG2 LYS 83 lone 0 80 - 0 - HB3 LEU 52 - HG2 LYS 75 lone 0 43 - 1 - HB3 LEU 52 - HG3 LYS 75 lone 0 43 - 1 - HB3 LEU 52 - HG2 LYS 83 lone 0 70 - 0 - Peak 3464 from cnoeabs.peaks (4.23, 1.45, 24.55 ppm; 4.13 A): 1 out of 30 assignments used, quality = 1.00: * HA LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 3.8=100 HA LYS 75 - HG3 LYS 13 OK 40 89 - 45 - 3073/2.9=4, 3072/2.9=4...(22) HA LYS 75 - HG3 LYS 85 OK 36 92 - 39 - 3.0/5849=4, 3066/4.8=4...(13) HA LYS 83 - HG3 LYS 85 OK 33 93 - 36 - 3428=4, ~3297=3...(16) HA LYS 75 - HG2 LYS 73 OK 30 59 - 50 - 3068/2.9=5, 3.0/5849=4...(19) HA LYS 85 - HG3 LYS 13 OK 26 99 - 27 - 3428=4, 3.0/3448=3...(8) HA LYS 85 - HG2 LYS 73 OK 26 71 - 37 - 3428=4, 3427/1.8=3...(12) HA LYS 39 - HG3 LYS 13 OK 21 77 - 27 - 1837/1.8=3, ~1021=2...(9) HA LYS 39 - HG2 LYS 73 OK 14 50 - 29 - 1837/1.8=3, 1835/2.9=2...(7) HA LYS 83 - HG2 LYS 73 OK 12 61 - 19 - ~5897=2, ~3287=1...(10) HA LYS 39 - HG3 LYS 85 OK 10 81 - 12 - 385/4.7=1 HA LYS 83 - HG3 LYS 13 lone 9 90 - 10 - 3428=1 HA ALA 12 - HG3 LYS 13 poor 8 57 - 15 - 3704/4.9=12 HA ALA 77 - HG3 LYS 85 lone 7 100 - 6 - HA ALA 78 - HG3 LYS 85 lone 4 76 - 5 - HA ALA 78 - HG2 LYS 73 lone 4 46 - 8 - HA ALA 77 - HG2 LYS 73 lone 3 70 - 5 - HA THR 15 - HG3 LYS 85 lone 3 89 - 4 - HA ALA 12 - HG3 LYS 85 lone 3 60 - 5 - 3.6/471=3 HA GLU 19 - HG3 LYS 85 lone 2 63 - 3 - HA ALA 77 - HG3 LYS 13 lone 2 98 - 2 - HB THR 37 - HG2 LYS 73 lone 2 69 - 3 - HB THR 37 - HG3 LYS 85 lone 2 99 - 2 - HB THR 37 - HG3 LYS 13 lone 2 98 - 2 - HA THR 15 - HG2 LYS 73 lone 2 56 - 3 - HA ALA 78 - HG3 LYS 13 lone 1 73 - 2 - HA THR 15 - HG3 LYS 13 lone 1 86 - 2 - HA GLU 19 - HG3 LYS 13 lone 1 60 - 2 - HA ALA 12 - HG2 LYS 73 lone 1 35 - 2 - 3.6/471=1 HA GLU 19 - HG2 LYS 73 lone 1 37 - 2 - Peak 3465 from cnoeabs.peaks (1.80, 1.45, 24.55 ppm; 3.37 A): 3 out of 39 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 92 92 - 100 - 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 52 52 - 100 - 2.9=100 HB3 LYS 73 - HG2 LYS 73 OK 43 43 - 100 - 2.9=100 HB3 LYS 75 - HG3 LYS 13 OK 32 89 - 36 - 1011/3.0=3, 3.0/3464=2...(16) HB3 LYS 75 - HG3 LYS 85 OK 24 92 - 27 - 4.0/5849=2, 3.0/3464=2...(9) HB2 LYS 85 - HG3 LYS 13 OK 24 99 - 24 - 1.8/3448=3, 1011/3.0=2...(9) HB2 LYS 73 - HG3 LYS 85 OK 23 83 - 29 - 2972=2, 4.0/789=1...(9) HB2 LYS 13 - HG3 LYS 85 OK 23 95 - 24 - 1.8/1014=3, 3.0/1024=2...(7) HB3 LYS 75 - HG2 LYS 73 OK 21 59 - 36 - 4.0/5849=2, 1.8/2972=2...(12) HB ILE 89 - HG3 LYS 13 OK 21 77 - 27 - 2.1/3616=2, ~5274=2...(15) HB3 ARG 84 - HG3 LYS 85 OK 21 100 - 21 - 3385/2.9=3, 4.6/5849=2...(8) HB2 LYS 85 - HG2 LYS 73 OK 20 71 - 29 - 1.8/3448=3, 2972=2...(8) HB3 LYS 73 - HG3 LYS 85 OK 19 71 - 28 - 1.8/2972=2, 1004=1...(7) HB3 LYS 39 - HG3 LYS 13 OK 18 80 - 23 - 1011/3.0=2, 1003/1.8=1...(7) HB2 LYS 83 - HG3 LYS 85 OK 18 81 - 22 - 1.8/3448=3, 3.0/3428=2...(5) HB ILE 89 - HG3 LYS 85 OK 17 81 - 21 - 5903/4.7=2, 2.1/3616=2...(7) HB2 LYS 73 - HG3 LYS 13 OK 17 80 - 21 - 2972=2, 1.8/1004=1, ~1011=1 HB3 LYS 73 - HG3 LYS 13 OK 16 68 - 23 - 1011/3.0=2, 1.8/2972=1...(4) HB ILE 89 - HG2 LYS 73 OK 15 50 - 31 - 3605/3.8=3, ~5274=3...(14) HB2 ARG 69 - HG2 LYS 73 OK 15 71 - 21 - 2797/1.8=3, 2792/4.9=2...(5) HB2 ARG 69 - HG3 LYS 13 OK 14 99 - 14 - 1011/3.0=1, ~4819=1, 2795/1.8=1 HB2 ARG 69 - HG3 LYS 85 OK 14 100 - 14 - 2797/1.8=2, ~2802=1 HB3 ARG 84 - HG2 LYS 73 OK 13 71 - 19 - 3384/3.8=2, 3.0/2962=1 HB2 LYS 13 - HG2 LYS 73 OK 12 62 - 20 - 1.8/1014=2, 3.0/1024=2...(4) HB3 LYS 39 - HG2 LYS 73 OK 11 52 - 22 - ~1867=1, ~1837=1 HB2 LYS 32 - HG2 LYS 73 poor 10 35 - 29 - 3.5/3012=1, 3.5/3012=1...(5) HB3 LYS 32 - HG2 LYS 73 poor 10 35 - 29 - 3.5/3012=1, 3.5/3012=1...(5) HB3 LYS 39 - HG3 LYS 85 lone 8 83 - 9 - HB2 LYS 83 - HG2 LYS 73 lone 5 50 - 10 - HB2 LYS 83 - HG3 LYS 13 lone 5 77 - 6 - HB2 LYS 32 - HG3 LYS 13 lone 5 57 - 8 - HB3 LYS 32 - HG3 LYS 13 lone 5 57 - 8 - HB3 ARG 84 - HG3 LYS 13 lone 4 99 - 4 - HB3 LYS 32 - HG3 LYS 85 lone 3 60 - 5 - HB2 LYS 32 - HG3 LYS 85 lone 3 60 - 5 - HB2 PRO 34 - HG3 LYS 13 lone 2 73 - 2 - HB2 PRO 34 - HG3 LYS 85 lone 1 76 - 2 - HB2 PRO 34 - HG2 LYS 73 lone 1 46 - 3 - Peak 3466 from cnoeabs.peaks (1.72, 1.45, 24.55 ppm; 4.39 A): 2 out of 39 assignments used, quality = 1.00: * HB3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 2.9=100 HB2 LEU 43 + HG3 LYS 13 OK 75 99 - 76 - 2010/3.9=12, 2012/1.8=8...(38) HB3 LYS 83 - HG3 LYS 85 OK 41 100 - 42 - 3448=5, 3443/4.8=4...(20) HB3 LYS 85 - HG3 LYS 13 OK 40 99 - 41 - 3448=5, ~1021=3...(14) HB2 ARG 84 - HG3 LYS 85 OK 38 100 - 38 - 378/4.8=6, 3378/2.9=4...(16) HB2 LEU 43 - HG3 LYS 85 OK 37 100 - 37 - 2012=3, ~2018=3...(20) HB3 LYS 85 - HG2 LYS 73 OK 36 71 - 51 - 3448=5, 6062/3.8=5...(18) HB2 ARG 84 - HG2 LYS 73 OK 24 70 - 34 - 3376/3.8=3, 3378/2.9=3...(11) HB2 LEU 29 - HG3 LYS 13 OK 19 98 - 19 - 1487/2.9=2, 1487/2.9=2...(5) HB2 LEU 29 - HG3 LYS 85 OK 19 99 - 19 - 387/4.7=4, 4.0/5534=1, 851/4.8=1 HB2 LEU 29 - HG2 LYS 73 OK 15 69 - 22 - 1484/3.8=3, 3764/4.9=3...(5) HB3 LYS 83 - HG2 LYS 73 OK 14 69 - 20 - 6062/3.8=2, 3448=2, 3447/1.8=1 HB3 LYS 83 - HG3 LYS 13 OK 12 98 - 12 - 3448=1 HG2 ARG 70 - HG3 LYS 85 poor 10 93 - 10 - 5488/4.8=3 HB3 LEU 64 - HG3 LYS 13 poor 8 68 - 12 - 3.1/5029=2 HB2 ARG 84 - HG3 LYS 13 lone 7 98 - 7 - 4.6/853=1 HB2 LEU 62 - HG2 LYS 73 poor 6 44 - 14 - 3.1/5005=1, 3907/4.9=1 HB2 ARG 82 - HG2 LYS 73 poor 6 37 - 15 - 3235/3.8=2, ~5446=1, 3237/2.9=1 HG2 ARG 70 - HG2 LYS 73 lone 6 61 - 9 - HG3 ARG 71 - HG2 LYS 73 poor 5 35 - 16 - 5.0/2988=1 HB2 LEU 62 - HG3 LYS 85 lone 5 73 - 7 - 387/4.7=2 HB3 ARG 17 - HG3 LYS 85 lone 5 81 - 6 - 387/4.7=1 HB3 ARG 17 - HG2 LYS 73 lone 5 50 - 9 - HB2 LEU 43 - HG2 LYS 73 lone 5 70 - 6 - HB2 ARG 82 - HG3 LYS 85 lone 4 63 - 7 - HB3 LEU 64 - HG3 LYS 85 lone 4 71 - 6 - HB2 LEU 62 - HG3 LYS 13 lone 4 70 - 5 - HG3 ARG 71 - HG3 LYS 85 lone 4 60 - 6 - 2928/4.8=1 HG2 ARG 70 - HG3 LYS 13 lone 3 90 - 3 - HB2 ARG 82 - HG3 LYS 13 lone 3 60 - 4 - HG3 ARG 26 - HG3 LYS 85 lone 2 68 - 3 - HB3 LEU 64 - HG2 LYS 73 lone 2 43 - 5 - HG3 ARG 66 - HG3 LYS 13 lone 2 63 - 3 - HG3 ARG 26 - HG2 LYS 73 lone 2 41 - 4 - HG3 ARG 66 - HG3 LYS 85 lone 2 65 - 2 - HG3 ARG 71 - HG3 LYS 13 lone 1 57 - 3 - HB3 ARG 17 - HG3 LYS 13 lone 1 77 - 2 - HG3 ARG 26 - HG3 LYS 13 lone 1 65 - 2 - HG3 ARG 66 - HG2 LYS 73 lone 1 39 - 3 - Peak 3467 from cnoeabs.peaks (1.38, 1.45, 24.55 ppm; 2.40 A): 2 out of 39 assignments used, quality = 1.00: * HG2 LYS 85 + HG3 LYS 85 OK 100 100 - 100 - 1.8=100 HG3 LYS 73 + HG2 LYS 73 OK 66 66 - 100 - 1.8=100 HG3 LYS 75 - HG3 LYS 13 OK 19 93 - 20 - HG2 LYS 75 - HG3 LYS 13 OK 19 93 - 20 - HG2 LYS 75 - HG2 LYS 73 OK 13 63 - 20 - HG3 LYS 75 - HG2 LYS 73 OK 13 63 - 20 - HG3 LYS 73 - HG3 LYS 85 OK 11 97 - 12 - HG2 LYS 75 - HG3 LYS 85 OK 11 96 - 12 - HG3 LYS 75 - HG3 LYS 85 OK 11 96 - 12 - HG3 LYS 73 - HG3 LYS 13 lone 9 95 - 9 - HG2 LYS 85 - HG3 LYS 13 lone 8 99 - 9 - 2.9/3448=1 HG2 LYS 85 - HG2 LYS 73 poor 8 71 - 12 - HG3 ARG 69 - HG2 LYS 73 lone 7 71 - 9 - 2818/2.9=1 HB3 ARG 69 - HG2 LYS 73 poor 6 56 - 11 - 2802/2.9=1 HG3 ARG 69 - HG3 LYS 85 lone 6 100 - 6 - HG2 LYS 83 - HG3 LYS 85 lone 6 98 - 6 - 2.9/3448=1 HB3 ARG 69 - HG3 LYS 85 lone 5 89 - 6 - HG3 LYS 39 - HG3 LYS 13 lone 5 63 - 8 - HB3 ARG 69 - HG3 LYS 13 lone 4 86 - 5 - HG3 ARG 69 - HG3 LYS 13 lone 4 99 - 4 - HG3 LYS 39 - HG2 LYS 73 lone 4 39 - 9 - QB ALA 53 - HG2 LYS 73 lone 3 59 - 5 - 2.9/203=1 QB ALA 77 - HG3 LYS 85 lone 2 100 - 2 - HG3 LYS 39 - HG3 LYS 85 lone 2 65 - 3 - HG2 LYS 83 - HG2 LYS 73 lone 2 66 - 3 - HG2 LYS 83 - HG3 LYS 13 lone 2 96 - 2 - QB ALA 78 - HG2 LYS 73 lone 2 66 - 3 - QB ALA 78 - HG3 LYS 85 lone 2 97 - 2 - QB ALA 77 - HG2 LYS 73 lone 1 70 - 2 - QB ALA 53 - HG3 LYS 85 lone 1 92 - 1 - QB ALA 20 - HG3 LYS 85 lone 1 100 - 1 - QB ALA 53 - HG3 LYS 13 lone 1 89 - 1 - QB ALA 16 - HG3 LYS 85 lone 1 87 - 1 - QB ALA 77 - HG3 LYS 13 lone 0 99 - 0 - QB ALA 20 - HG2 LYS 73 lone 0 71 - 1 - QB ALA 78 - HG3 LYS 13 lone 0 95 - 0 - QB ALA 20 - HG3 LYS 13 lone 0 99 - 0 - QB ALA 16 - HG2 LYS 73 lone 0 55 - 0 - QB ALA 16 - HG3 LYS 13 lone 0 84 - 0 - Peak 3468 from cnoeabs.peaks (1.45, 1.45, 24.55 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 85 + HG3 LYS 85 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 98 98 - 100 HG2 LYS 73 - HG2 LYS 73 OK 43 43 - 100 Peak 3513 from cnoeabs.peaks (8.27, 4.30, 55.05 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 86 + HA LEU 86 OK 100 100 - 100 - 3.0=100 H VAL 90 - HA LEU 86 OK 29 100 - 29 - 3520/3.0=6, 4.4/3519=4...(10) H LYS 13 - HA LEU 86 lone 5 99 - 5 - ~989=1 H ALA 12 - HA LEU 86 lone 4 68 - 5 - H ASN 80 - HA LEU 86 lone 2 87 - 2 - Peak 3514 from cnoeabs.peaks (4.30, 4.30, 55.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 86 + HA LEU 86 OK 100 100 - 100 Peak 3515 from cnoeabs.peaks (1.61, 4.30, 55.05 ppm; 3.59 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LEU 86 + HA LEU 86 OK 100 100 - 100 - 3.0=100 HG LEU 86 + HA LEU 86 OK 70 90 - 78 - 4.3=59, 2.1/3549=16...(15) HB3 LEU 62 - HA LEU 86 OK 18 68 - 27 - 3521=4, 3.1/3518=3...(12) HG3 ARG 17 - HA LEU 86 OK 15 100 - 15 - 860/3.0=2, 5.0/22=1...(4) HG2 ARG 17 - HA LEU 86 OK 15 100 - 15 - 860/3.0=2, 5.0/22=1...(4) HB3 LEU 51 - HA LEU 86 OK 14 92 - 15 - 2227/4.0=3, 3.0/3518=2...(5) HG2 ARG 84 - HA LEU 86 poor 9 81 - 11 - 862/3.0=1 HG3 ARG 84 - HA LEU 86 poor 9 81 - 11 - 862/3.0=1 HG3 ARG 70 - HA LEU 86 lone 6 100 - 6 - HD2 LYS 73 - HA LEU 86 lone 6 100 - 6 - 860/3.0=1 HD3 LYS 73 - HA LEU 86 lone 6 100 - 6 - 860/3.0=1 HD3 LYS 32 - HA LEU 86 lone 5 100 - 4 - HD2 LYS 32 - HA LEU 86 lone 4 100 - 4 - HG2 ARG 26 - HA LEU 86 lone 4 99 - 4 - HG2 ARG 71 - HA LEU 86 lone 4 100 - 4 - HG2 ARG 27 - HA LEU 86 lone 3 89 - 3 - HG3 ARG 27 - HA LEU 86 lone 3 87 - 3 - Peak 3516 from cnoeabs.peaks (1.56, 4.30, 55.05 ppm; 3.29 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LEU 86 + HA LEU 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 29 - HA LEU 86 OK 35 89 - 40 - 3.1/3519=5, 3528=4...(16) HG LEU 62 - HA LEU 86 OK 26 100 - 26 - 2.1/3518=3, 861/3.0=3...(10) HB3 LEU 62 - HA LEU 86 OK 16 71 - 22 - 3.1/3518=2, 3528=2...(6) HG2 LYS 39 - HA LEU 86 OK 14 92 - 15 - 861/3.0=2, 5119/4.0=2...(4) HG LEU 64 - HA LEU 86 poor 9 76 - 12 - 2.1/3519=2, 397/3.6=1 HD3 LYS 39 - HA LEU 86 poor 9 85 - 11 - 861/3.0=1 HD2 LYS 39 - HA LEU 86 poor 9 83 - 11 - 861/3.0=1 HB3 ARG 54 - HA LEU 86 lone 5 92 - 5 - HG3 ARG 54 - HA LEU 86 lone 4 95 - 5 - HG3 ARG 23 - HA LEU 86 lone 1 78 - 2 - Peak 3517 from cnoeabs.peaks (1.60, 4.30, 55.05 ppm; 3.32 A): 2 out of 19 assignments used, quality = 0.97: HB2 LEU 86 + HA LEU 86 OK 90 90 - 100 - 3.0=100 * HG LEU 86 + HA LEU 86 OK 68 100 - 68 - 4.3=47, 2.1/3549=14...(14) HB3 LEU 29 - HA LEU 86 OK 31 87 - 36 - 3.1/3519=5, 3.1/3518=4...(16) HB3 LEU 62 - HA LEU 86 OK 22 97 - 23 - 3521=3, 3.1/3518=3...(8) HB3 LEU 51 - HA LEU 86 OK 13 100 - 13 - 2227/4.0=3, 3.0/3518=1 HG2 ARG 17 - HA LEU 86 OK 10 83 - 13 - 860/3.0=1, 5.0/22=1 HG3 ARG 17 - HA LEU 86 OK 10 81 - 13 - 860/3.0=1, 5.0/22=1 HG2 ARG 84 - HA LEU 86 lone 9 100 - 9 - 862/3.0=1 HG3 ARG 84 - HA LEU 86 lone 9 100 - 9 - 862/3.0=1 HD2 LYS 39 - HA LEU 86 lone 9 92 - 9 - HD3 LYS 39 - HA LEU 86 lone 9 90 - 9 - HG3 ARG 70 - HA LEU 86 lone 5 93 - 5 - HD2 LYS 73 - HA LEU 86 lone 5 96 - 5 - HD3 LYS 73 - HA LEU 86 lone 5 96 - 5 - HD2 LYS 32 - HA LEU 86 lone 3 96 - 3 - HD3 LYS 32 - HA LEU 86 lone 3 93 - 3 - HG3 ARG 54 - HA LEU 86 lone 3 78 - 4 - HG2 ARG 71 - HA LEU 86 lone 3 81 - 3 - HG2 ARG 26 - HA LEU 86 lone 2 76 - 3 - Peak 3518 from cnoeabs.peaks (0.89, 4.30, 55.05 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 86 + HA LEU 86 OK 100 100 - 100 - 4.0=100 QD1 LEU 29 + HA LEU 86 OK 58 99 - 59 - 2.1/3519=10, 3542=9...(26) QD1 LEU 62 - HA LEU 86 OK 36 93 - 38 - 3542=6, 2.1/3516=5...(17) HG LEU 51 - HA LEU 86 OK 18 100 - 19 - 3525/3.0=3, ~6093=3...(8) QG2 VAL 90 - HA LEU 86 OK 15 97 - 15 - 4.0/3513=5, ~3639=1...(4) QG1 VAL 90 - HA LEU 86 OK 15 96 - 15 - 4.0/3513=5, ~3639=1...(4) Peak 3519 from cnoeabs.peaks (0.83, 4.30, 55.05 ppm; 3.43 A): 5 out of 7 assignments used, quality = 0.93: * QD2 LEU 86 + HA LEU 86 OK 78 100 - 78 - 4.0=63, 2.1/3517=8...(17) QD2 LEU 29 + HA LEU 86 OK 42 96 - 44 - 3549=10, 2.1/3518=5...(17) QG2 ILE 89 + HA LEU 86 OK 28 98 - 29 - 3.1/5904=5, 4040/3.0=4...(13) QD1 ILE 89 + HA LEU 86 OK 17 78 - 22 - 5904=4, 6150/3.0=3...(9) QD2 LEU 64 + HA LEU 86 OK 12 96 - 12 - 2644/3.0=2, 3526/3.0=1...(5) QD1 LEU 43 - HA LEU 86 lone 9 100 - 9 - 5916/3.0=1, 5214/3.0=1 QG2 ILE 68 - HA LEU 86 lone 5 73 - 7 - 2756/3.6=3 Peak 3520 from cnoeabs.peaks (8.27, 1.61, 42.08 ppm; 4.38 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 86 + HB2 LEU 86 OK 100 100 - 100 - 4.0=100 H VAL 90 - HB2 LEU 86 OK 29 100 - 29 - 3513/3.0=6, 3527/1.8=5...(9) H LEU 86 - HB3 LEU 62 OK 14 58 - 24 - 861/3.0=4, 3.0/3521=3...(10) H LYS 13 - HB2 LEU 86 lone 4 99 - 4 - 3513/3.0=1 H VAL 90 - HB3 LEU 62 lone 3 58 - 5 - H ALA 12 - HB2 LEU 86 lone 2 68 - 3 - H ASN 80 - HB2 LEU 86 lone 2 87 - 2 - H LYS 13 - HB3 LEU 62 lone 1 55 - 2 - H ASN 80 - HB3 LEU 62 lone 1 44 - 2 - H ALA 12 - HB3 LEU 62 lone 0 32 - 2 - Peak 3521 from cnoeabs.peaks (4.30, 1.61, 42.08 ppm; 3.72 A): 1 out of 16 assignments used, quality = 1.00: * HA LEU 86 + HB2 LEU 86 OK 100 100 - 100 - 3.0=100 HA GLU 87 - HB2 LEU 86 OK 29 93 - 32 - ~397=8, ~395=5, ~866=5...(10) HA LEU 86 - HB3 LEU 62 OK 18 58 - 31 - 3516/3.0=4, 3518/3.1=3...(14) HA ARG 17 - HB2 LEU 86 OK 11 73 - 14 - 3528/1.8=1, 1150=1...(4) HA PRO 34 - HB2 LEU 86 lone 8 93 - 9 - 3528/1.8=1, ~1714=1 HA THR 88 - HB2 LEU 86 lone 7 78 - 9 - ~402=1, 3549/3.1=1, 3528/1.8=1 HA ALA 16 - HB2 LEU 86 lone 6 99 - 6 - HA SER 60 - HB3 LEU 62 poor 5 35 - 13 - 4647/4.6=7, 5775/4.0=3 HA ASP 38 - HB3 LEU 62 lone 3 37 - 9 - 5775/4.0=2, ~120=2...(4) HA ARG 17 - HB3 LEU 62 lone 3 35 - 9 - ~4674=2, 1149/1.8=1...(4) HA GLU 87 - HB3 LEU 62 lone 2 49 - 4 - ~397=1 HA ASP 38 - HB2 LEU 86 lone 2 76 - 2 - HA SER 60 - HB2 LEU 86 lone 2 73 - 3 - HA PRO 34 - HB3 LEU 62 lone 1 49 - 2 - HA ALA 16 - HB3 LEU 62 lone 1 55 - 1 - HA THR 88 - HB3 LEU 62 lone 1 38 - 2 - Peak 3522 from cnoeabs.peaks (1.61, 1.61, 42.08 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 86 + HB2 LEU 86 OK 100 100 - 100 HB3 LEU 62 - HB3 LEU 62 OK 32 32 - 100 Peak 3523 from cnoeabs.peaks (1.56, 1.61, 42.08 ppm; 2.40 A): 1 out of 21 assignments used, quality = 1.00: * HB3 LEU 86 + HB2 LEU 86 OK 100 100 - 100 - 1.8=100 HG LEU 62 - HB3 LEU 62 OK 38 57 - 66 - 3.0=53, 2575/1.8=7...(11) HB3 LEU 29 - HB2 LEU 86 OK 28 89 - 31 - 3516/3.0=2, 3.1/3525=2...(11) HG LEU 62 - HB2 LEU 86 OK 18 100 - 18 - 2.1/3525=1, 3516/3.0=1 HB3 LEU 62 - HB2 LEU 86 OK 13 71 - 19 - ~2575=1, 3.1/3525=1, 1.8/2574=1 HB3 LEU 86 - HB3 LEU 62 OK 11 58 - 19 - 2575/1.8=2, 2568/3.0=1 HB3 LEU 29 - HB3 LEU 62 OK 11 46 - 25 - 2575/1.8=3, 1.8/1486=2...(9) HG2 LYS 39 - HB2 LEU 86 poor 9 92 - 10 - HG3 ARG 54 - HB3 LEU 62 poor 8 50 - 16 - 2575/1.8=2, 2596/3.1=1 HB3 ARG 54 - HB3 LEU 62 poor 7 48 - 15 - 2575/1.8=2 HD3 LYS 39 - HB2 LEU 86 lone 7 85 - 8 - HD2 LYS 39 - HB2 LEU 86 lone 7 83 - 8 - HG LEU 64 - HB2 LEU 86 lone 6 76 - 8 - HG2 LYS 39 - HB3 LEU 62 lone 3 48 - 7 - HB3 ARG 54 - HB2 LEU 86 lone 3 92 - 3 - HG3 ARG 54 - HB2 LEU 86 lone 3 95 - 3 - HG LEU 64 - HB3 LEU 62 lone 3 37 - 7 - HD3 LYS 39 - HB3 LEU 62 lone 2 43 - 6 - HD2 LYS 39 - HB3 LEU 62 lone 2 41 - 5 - HG3 ARG 23 - HB2 LEU 86 lone 1 78 - 1 - HG3 ARG 23 - HB3 LEU 62 lone 0 38 - 1 - Peak 3524 from cnoeabs.peaks (1.60, 1.61, 42.08 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HB2 LEU 86 + HB2 LEU 86 OK 90 90 - 100 HB3 LEU 62 + HB3 LEU 62 OK 53 53 - 100 Reference assignment not found: HG LEU 86 - HB2 LEU 86 Peak 3525 from cnoeabs.peaks (0.89, 1.61, 42.08 ppm; 3.33 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 86 + HB2 LEU 86 OK 100 100 - 100 - 3.1=100 QD1 LEU 29 + HB2 LEU 86 OK 52 99 - 53 - 3518/3.0=4, 3543=3...(30) QD1 LEU 62 + HB3 LEU 62 OK 49 49 - 100 - 3.1=100 QD1 LEU 62 - HB2 LEU 86 OK 32 93 - 35 - 2.1/3523=3, 3518/3.0=3...(16) QD1 LEU 29 - HB3 LEU 62 OK 27 55 - 50 - 2577/1.8=7, 2598/3.1=5...(20) HG LEU 51 - HB2 LEU 86 OK 26 100 - 26 - 2233=2, ~4520=2, ~6093=2...(13) QD1 LEU 86 - HB3 LEU 62 OK 22 58 - 38 - 2577/1.8=5, 2570/3.0=3...(14) HG LEU 51 - HB3 LEU 62 OK 18 57 - 31 - 2577/1.8=3, 2598/3.1=3...(16) QG2 VAL 90 - HB2 LEU 86 lone 9 97 - 9 - 4.0/3520=3, 3518/3.0=1 QG1 VAL 90 - HB2 LEU 86 lone 9 96 - 9 - 4.0/3520=3, 3518/3.0=1 QG2 VAL 90 - HB3 LEU 62 lone 3 52 - 5 - QG1 VAL 90 - HB3 LEU 62 lone 3 51 - 5 - Peak 3526 from cnoeabs.peaks (0.83, 1.61, 42.08 ppm; 3.76 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 86 + HB2 LEU 86 OK 100 100 - 100 - 3.1=100 QD2 LEU 29 + HB2 LEU 86 OK 61 96 - 64 - 3519/3.0=7, 3550=5...(38) QG2 ILE 89 - HB2 LEU 86 OK 38 98 - 39 - 3519/3.0=5, 3617/3.1=5...(18) QD2 LEU 29 - HB3 LEU 62 OK 28 51 - 55 - ~2577=6, ~2570=4...(31) QD2 LEU 86 - HB3 LEU 62 OK 24 58 - 42 - ~2577=4, ~2570=3...(22) QD1 ILE 89 - HB2 LEU 86 OK 24 78 - 31 - 5904/3.0=5, 6150/1.8=4...(14) QD2 LEU 64 - HB2 LEU 86 OK 22 96 - 23 - 2644/1.8=3, 3519/3.0=2...(12) QD1 LEU 43 - HB3 LEU 62 OK 20 57 - 36 - 5214=5, 2032/1.8=4...(17) QD1 LEU 43 - HB2 LEU 86 OK 17 100 - 17 - 5214/3.0=2, 5214=2...(6) QD2 LEU 64 - HB3 LEU 62 OK 11 51 - 22 - 2646/3.1=2, 2644/3.0=2...(6) QG2 ILE 68 - HB2 LEU 86 lone 7 73 - 9 - 2756/4.6=3, ~4759=1 QG2 ILE 68 - HB3 LEU 62 poor 5 35 - 15 - ~4759=2, ~5242=2...(6) QG2 ILE 89 - HB3 LEU 62 lone 2 54 - 4 - QD1 ILE 89 - HB3 LEU 62 lone 1 38 - 3 - Peak 3527 from cnoeabs.peaks (8.27, 1.56, 42.08 ppm; 4.45 A): 1 out of 15 assignments used, quality = 1.00: * H LEU 86 + HB3 LEU 86 OK 100 100 - 100 - 4.0=100 H LEU 86 - HB3 LEU 29 OK 34 78 - 44 - 387/1.8=7, 861=7...(14) H VAL 90 - HB3 LEU 86 OK 30 100 - 30 - 3520/1.8=7, 3513/3.0=7...(9) H VAL 90 - HB3 LEU 29 OK 22 78 - 28 - 412/3.0=5, 414/3.1=5...(11) H LEU 86 - HB3 LEU 62 OK 15 60 - 25 - 861/3.0=4, 387/1.8=3...(12) H LYS 13 - HB3 LEU 86 lone 5 99 - 5 - 3513/3.0=1, 3520/1.8=1 H LYS 13 - HB3 LEU 29 lone 4 74 - 5 - H VAL 90 - HB3 LEU 62 lone 3 60 - 5 - H ALA 12 - HB3 LEU 86 lone 3 68 - 4 - H ASN 80 - HB3 LEU 86 lone 2 87 - 2 - H LYS 13 - HB3 LEU 62 lone 1 57 - 2 - H ALA 12 - HB3 LEU 29 lone 1 46 - 2 - H ASN 80 - HB3 LEU 29 lone 1 61 - 1 - H ASN 80 - HB3 LEU 62 lone 1 46 - 1 - H ALA 12 - HB3 LEU 62 lone 1 34 - 2 - Peak 3528 from cnoeabs.peaks (4.30, 1.56, 42.08 ppm; 3.93 A): 1 out of 24 assignments used, quality = 1.00: * HA LEU 86 + HB3 LEU 86 OK 100 100 - 100 - 3.0=100 HA LEU 86 - HB3 LEU 29 OK 42 78 - 55 - 3516=8, 3519/3.1=7...(23) HA GLU 87 - HB3 LEU 86 OK 36 93 - 39 - 3.0/397=13, 3521/1.8=6...(11) HA LEU 86 - HB3 LEU 62 OK 21 60 - 35 - 3516/3.0=4, 3518/3.1=4...(18) HA ARG 17 - HB3 LEU 86 OK 12 73 - 16 - 3521/1.8=2, 859/4.0=1...(4) HA PRO 34 - HB3 LEU 86 OK 10 93 - 11 - 3521/1.8=2, ~1714=1...(5) HA THR 88 - HB3 LEU 86 poor 8 78 - 11 - ~402=1, 3521/1.8=1, 3549/3.1=1 HA ALA 16 - HB3 LEU 86 lone 7 99 - 7 - 3521/1.8=1 HA SER 60 - HB3 LEU 62 poor 6 37 - 15 - 4647/4.6=8, 5775/4.0=4 HA GLU 87 - HB3 LEU 29 lone 5 67 - 7 - 3.0/397=3, ~5919=1 HA ASP 38 - HB3 LEU 62 poor 4 39 - 10 - 5775/4.0=2, ~120=2...(5) HA ARG 17 - HB3 LEU 62 poor 4 37 - 10 - ~4674=2, 1149/1.8=1...(5) HA ASP 38 - HB3 LEU 86 lone 3 76 - 4 - 3.6/595=1 HA SER 60 - HB3 LEU 29 lone 3 50 - 6 - 4647/4.6=2, 4647/258=1 HA SER 60 - HB3 LEU 86 lone 3 73 - 4 - HA GLU 87 - HB3 LEU 62 lone 2 51 - 5 - 3.0/397=1, ~397=1 HA THR 88 - HB3 LEU 29 lone 2 54 - 4 - HA ALA 16 - HB3 LEU 29 lone 2 74 - 3 - HA ARG 17 - HB3 LEU 29 lone 2 50 - 4 - HA PRO 34 - HB3 LEU 62 lone 2 51 - 3 - HA PRO 34 - HB3 LEU 29 lone 1 67 - 2 - HA ASP 38 - HB3 LEU 29 lone 1 52 - 2 - HA ALA 16 - HB3 LEU 62 lone 1 57 - 1 - HA THR 88 - HB3 LEU 62 lone 1 40 - 2 - Peak 3529 from cnoeabs.peaks (1.61, 1.56, 42.08 ppm; 2.40 A): 2 out of 50 assignments used, quality = 1.00: * HB2 LEU 86 + HB3 LEU 86 OK 100 100 - 100 - 1.8=100 HG LEU 86 + HB3 LEU 86 OK 56 90 - 62 - 3.0=53, 2.1/3551=4...(7) HB2 LEU 86 - HB3 LEU 29 OK 24 78 - 31 - 3.0/3516=2, 3525/3.1=2...(11) HG LEU 86 - HB3 LEU 29 OK 20 64 - 31 - 3537=4, ~1488=2...(12) HB3 LEU 62 - HB3 LEU 86 OK 13 68 - 19 - 1.8/2575=2, 3.0/2568=1 HB3 LEU 62 - HB3 LEU 29 OK 11 46 - 25 - 1.8/2575=3, 1492/1.8=2...(9) HB2 LEU 86 - HB3 LEU 62 OK 11 60 - 18 - ~2575=1, 3525/3.1=1 HB3 LEU 51 - HB3 LEU 86 OK 11 92 - 12 - 2227/3.1=2 HG LEU 86 - HB3 LEU 62 poor 8 49 - 17 - 3537=2, ~2577=2 HG3 ARG 17 - HB3 LEU 86 lone 6 100 - 6 - HG2 ARG 17 - HB3 LEU 86 lone 6 100 - 6 - HB3 LEU 51 - HB3 LEU 29 lone 6 66 - 9 - 2227/3.1=1 HB3 LEU 51 - HB3 LEU 62 poor 6 50 - 12 - 2227/3.1=1, ~5004=1 HG3 ARG 84 - HB3 LEU 29 lone 5 56 - 9 - HG2 ARG 84 - HB3 LEU 29 lone 5 56 - 9 - HG3 ARG 70 - HB3 LEU 86 lone 4 100 - 4 - HG2 ARG 84 - HB3 LEU 86 lone 3 81 - 4 - HG3 ARG 84 - HB3 LEU 86 lone 3 81 - 4 - HG3 ARG 70 - HB3 LEU 29 lone 3 78 - 4 - HD2 LYS 73 - HB3 LEU 86 lone 3 100 - 3 - HD3 LYS 73 - HB3 LEU 86 lone 3 100 - 3 - HG2 ARG 71 - HB3 LEU 86 lone 2 100 - 2 - HG2 ARG 26 - HB3 LEU 86 lone 2 99 - 2 - HD3 LYS 32 - HB3 LEU 86 lone 2 100 - 2 - HD2 LYS 32 - HB3 LEU 86 lone 2 100 - 2 - HG2 ARG 26 - HB3 LEU 62 lone 2 58 - 4 - HD3 LYS 73 - HB3 LEU 29 lone 2 77 - 3 - HD2 LYS 73 - HB3 LEU 29 lone 2 77 - 3 - HD3 LYS 32 - HB3 LEU 29 lone 2 78 - 3 - HD2 LYS 32 - HB3 LEU 29 lone 2 77 - 3 - HG2 ARG 71 - HB3 LEU 29 lone 2 76 - 2 - HG2 ARG 26 - HB3 LEU 29 lone 2 75 - 2 - HG2 ARG 71 - HB3 LEU 62 lone 2 59 - 3 - HG2 ARG 84 - HB3 LEU 62 lone 2 42 - 4 - HG3 ARG 84 - HB3 LEU 62 lone 2 42 - 4 - HD3 LYS 73 - HB3 LEU 62 lone 1 60 - 2 - HD2 LYS 73 - HB3 LEU 62 lone 1 60 - 2 - HG3 ARG 70 - HB3 LEU 62 lone 1 60 - 2 - HG2 ARG 27 - HB3 LEU 86 lone 1 89 - 1 - HD3 LYS 32 - HB3 LEU 62 lone 1 60 - 2 - HG3 ARG 27 - HB3 LEU 86 lone 1 87 - 1 - HD2 LYS 32 - HB3 LEU 62 lone 1 60 - 2 - HG2 ARG 17 - HB3 LEU 29 lone 1 77 - 2 - HG3 ARG 17 - HB3 LEU 29 lone 1 76 - 2 - HG2 ARG 17 - HB3 LEU 62 lone 1 60 - 2 - HG3 ARG 17 - HB3 LEU 62 lone 1 59 - 2 - HG2 ARG 27 - HB3 LEU 29 lone 1 63 - 1 - HG3 ARG 27 - HB3 LEU 29 lone 1 61 - 1 - HG2 ARG 27 - HB3 LEU 62 lone 0 48 - 1 - HG3 ARG 27 - HB3 LEU 62 lone 0 46 - 1 - Peak 3530 from cnoeabs.peaks (1.56, 1.56, 42.08 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 86 + HB3 LEU 86 OK 100 100 - 100 HB3 LEU 29 + HB3 LEU 29 OK 63 63 - 100 HB3 LEU 62 - HB3 LEU 62 OK 36 36 - 100 Peak 3531 from cnoeabs.peaks (1.60, 1.56, 42.08 ppm; 2.40 A): 2 out of 55 assignments used, quality = 0.96: HB2 LEU 86 + HB3 LEU 86 OK 90 90 - 100 - 1.8=100 * HG LEU 86 + HB3 LEU 86 OK 62 100 - 62 - 3.0=53, 2.1/3551=4...(7) HB3 LEU 29 - HB3 LEU 86 OK 26 87 - 30 - 1.8/1486=3, 3.0/1500=2...(9) HG LEU 86 - HB3 LEU 29 OK 25 78 - 33 - 3537=4, 1486/1.8=2...(13) HB3 LEU 62 - HB3 LEU 29 OK 20 72 - 28 - 1.8/2575=3, 1492/1.8=3...(11) HB2 LEU 86 - HB3 LEU 29 OK 20 64 - 31 - 3.0/3516=2, ~1486=2...(11) HB3 LEU 62 - HB3 LEU 86 OK 19 97 - 19 - 1.8/2575=2, 3.0/2568=1 HB3 LEU 29 - HB3 LEU 62 OK 12 46 - 27 - 1.8/1486=3, 2574/1.8=3...(10) HB3 LEU 51 - HB3 LEU 86 OK 12 100 - 12 - 2227/3.1=2 HG LEU 86 - HB3 LEU 62 OK 12 60 - 19 - 3537=2, 2574/1.8=2...(4) HB2 LEU 86 - HB3 LEU 62 poor 9 49 - 19 - 2574/1.8=1, ~2575=1, 3525/3.1=1 HD2 LYS 39 - HB3 LEU 86 lone 9 92 - 9 - 1896=1 HD3 LYS 39 - HB3 LEU 86 lone 8 90 - 9 - 1896=1 HB3 LEU 51 - HB3 LEU 29 poor 8 78 - 11 - 2227/3.1=1 HG3 ARG 84 - HB3 LEU 29 poor 8 76 - 11 - HG2 ARG 84 - HB3 LEU 29 poor 8 76 - 11 - HB3 LEU 51 - HB3 LEU 62 poor 8 60 - 13 - 2227/3.1=2, 2574/1.8=1...(4) HG3 ARG 54 - HB3 LEU 62 poor 7 40 - 18 - 1.8/2328=2, 2574/1.8=2...(4) HG2 ARG 17 - HB3 LEU 86 lone 5 83 - 6 - HG3 ARG 17 - HB3 LEU 86 lone 5 81 - 6 - HG2 ARG 84 - HB3 LEU 86 lone 4 100 - 4 - HG3 ARG 84 - HB3 LEU 86 lone 4 100 - 4 - HG3 ARG 70 - HB3 LEU 86 lone 4 93 - 4 - HD2 LYS 39 - HB3 LEU 62 lone 3 50 - 6 - HD3 LYS 39 - HB3 LEU 62 lone 3 49 - 6 - HG3 ARG 54 - HB3 LEU 86 lone 3 78 - 4 - HG2 ARG 84 - HB3 LEU 62 lone 3 59 - 5 - HG3 ARG 84 - HB3 LEU 62 lone 3 59 - 5 - HG3 ARG 70 - HB3 LEU 29 lone 3 67 - 4 - HD3 LYS 73 - HB3 LEU 86 lone 3 96 - 3 - HD2 LYS 73 - HB3 LEU 86 lone 3 96 - 3 - HD2 LYS 39 - HB3 LEU 29 lone 3 66 - 4 - HD3 LYS 39 - HB3 LEU 29 lone 2 64 - 4 - HD2 LYS 32 - HB3 LEU 86 lone 2 96 - 2 - HD3 LYS 32 - HB3 LEU 86 lone 2 93 - 2 - HG2 ARG 71 - HB3 LEU 86 lone 2 81 - 2 - HD3 LYS 73 - HB3 LEU 29 lone 2 70 - 3 - HD2 LYS 73 - HB3 LEU 29 lone 2 70 - 3 - HD2 LYS 32 - HB3 LEU 29 lone 2 70 - 2 - HD3 LYS 32 - HB3 LEU 29 lone 2 67 - 2 - HG2 ARG 26 - HB3 LEU 86 lone 2 76 - 2 - HD2 LYS 73 - HB3 LEU 62 lone 1 54 - 3 - HD3 LYS 73 - HB3 LEU 62 lone 1 54 - 3 - HG3 ARG 54 - HB3 LEU 29 lone 1 54 - 3 - HG2 ARG 26 - HB3 LEU 62 lone 1 39 - 4 - HG2 ARG 71 - HB3 LEU 29 lone 1 56 - 2 - HG3 ARG 70 - HB3 LEU 62 lone 1 51 - 3 - HD2 LYS 32 - HB3 LEU 62 lone 1 54 - 2 - HD3 LYS 32 - HB3 LEU 62 lone 1 51 - 2 - HG2 ARG 71 - HB3 LEU 62 lone 1 42 - 3 - HG2 ARG 26 - HB3 LEU 29 lone 1 52 - 2 - HG2 ARG 17 - HB3 LEU 29 lone 1 58 - 1 - HG3 ARG 17 - HB3 LEU 29 lone 1 56 - 1 - HG2 ARG 17 - HB3 LEU 62 lone 1 43 - 2 - HG3 ARG 17 - HB3 LEU 62 lone 1 42 - 2 - Peak 3532 from cnoeabs.peaks (0.89, 1.56, 42.08 ppm; 3.14 A): 4 out of 18 assignments used, quality = 1.00: * QD1 LEU 86 + HB3 LEU 86 OK 100 100 - 100 - 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 74 74 - 100 - 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 51 51 - 100 - 3.1=100 QD1 LEU 29 + HB3 LEU 86 OK 49 99 - 50 - 2.1/1500=4, 3518/3.0=4...(27) QD1 LEU 86 - HB3 LEU 29 OK 44 78 - 57 - 1488/1.8=7, 6115/3.0=5...(26) QD1 LEU 62 - HB3 LEU 29 OK 31 67 - 46 - 1488/1.8=6, 6115/3.0=5...(19) QD1 LEU 62 - HB3 LEU 86 OK 29 93 - 31 - 2.1/2596=3, 3.1/2575=3...(14) QD1 LEU 29 - HB3 LEU 62 OK 27 57 - 48 - 2577/1.8=7, 2.1/1500=5...(20) HG LEU 51 - HB3 LEU 86 OK 22 100 - 22 - 2.1/6093=2, 2233/1.8=2...(9) QD1 LEU 86 - HB3 LEU 62 OK 21 60 - 36 - 2577/1.8=5, 2570/3.0=3...(13) HG LEU 51 - HB3 LEU 29 OK 16 77 - 21 - 1488/1.8=3, 6115/3.0=2...(8) HG LEU 51 - HB3 LEU 62 OK 15 60 - 25 - 2577/1.8=3, 2598/3.1=2...(10) QG2 VAL 90 - HB3 LEU 29 OK 11 71 - 15 - ~5348=2, 1488/1.8=2...(4) QG1 VAL 90 - HB3 LEU 29 OK 11 70 - 15 - ~5348=2, 1488/1.8=2...(4) QG2 VAL 90 - HB3 LEU 86 lone 8 97 - 8 - 4.0/3527=2 QG1 VAL 90 - HB3 LEU 86 lone 7 96 - 8 - 4.0/3527=2 QG2 VAL 90 - HB3 LEU 62 lone 3 55 - 5 - QG1 VAL 90 - HB3 LEU 62 lone 3 54 - 5 - Peak 3533 from cnoeabs.peaks (0.83, 1.56, 42.08 ppm; 3.41 A): 4 out of 21 assignments used, quality = 1.00: * QD2 LEU 86 + HB3 LEU 86 OK 100 100 - 100 - 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 70 70 - 100 - 3.1=100 QD2 LEU 29 + HB3 LEU 86 OK 55 96 - 58 - 3519/3.0=6, 2.1/1500=5...(35) QD2 LEU 86 + HB3 LEU 29 OK 48 78 - 62 - 1489/1.8=7, 1503/3.0=5...(32) QG2 ILE 89 - HB3 LEU 86 OK 33 98 - 34 - 3617/3.1=4, 3519/3.0=4...(16) QD2 LEU 29 - HB3 LEU 62 OK 27 54 - 51 - 2.1/1500=5, ~2577=5...(25) QD2 LEU 64 - HB3 LEU 29 OK 27 70 - 39 - 1489/1.8=5, 1503/3.0=4...(18) QD1 LEU 43 - HB3 LEU 29 OK 27 77 - 34 - 2032/1.8=5, 5214=4...(14) QG2 ILE 89 - HB3 LEU 29 OK 26 73 - 36 - 3612/3.0=4, 1489/1.8=4...(17) QD2 LEU 86 - HB3 LEU 62 OK 23 60 - 38 - ~2577=4, 3551=2, ~2570=2...(16) QD2 LEU 64 - HB3 LEU 86 OK 21 96 - 22 - 2644=2, 2.1/2651=2...(7) QD1 LEU 43 - HB3 LEU 62 OK 20 60 - 34 - 5214=4, 2032/1.8=3...(14) QD1 ILE 89 - HB3 LEU 86 OK 20 78 - 25 - 5904/3.0=4, 3635/3.1=3...(9) QD1 LEU 43 - HB3 LEU 86 OK 17 100 - 16 - 5214/3.0=2, 5214/1.8=2...(5) QD1 ILE 89 - HB3 LEU 29 OK 14 54 - 26 - ~4840=4, 3635/3.1=3...(13) QD2 LEU 64 - HB3 LEU 62 OK 10 54 - 19 - 2646/3.1=2, 2644/3.0=2, ~2576=1 QG2 ILE 68 - HB3 LEU 86 lone 7 73 - 9 - 2756/4.6=2, 2.9/4759=2 QG2 ILE 68 - HB3 LEU 62 poor 4 37 - 12 - ~4759=1, 2760/3.1=1...(5) QG2 ILE 89 - HB3 LEU 62 lone 2 57 - 4 - QG2 ILE 68 - HB3 LEU 29 lone 2 50 - 4 - QD1 ILE 89 - HB3 LEU 62 lone 1 40 - 3 - Peak 3535 from cnoeabs.peaks (4.30, 1.60, 26.98 ppm; 4.27 A): 3 out of 56 assignments used, quality = 1.00: * HA LEU 86 + HG LEU 86 OK 100 100 - 100 - 4.3=100 HA ARG 17 + HG2 ARG 17 OK 50 50 - 100 - 4.0=100 HA ARG 17 + HG3 ARG 17 OK 49 49 - 100 - 4.0=100 HA GLU 87 - HG LEU 86 OK 28 93 - 30 - ~397=8, 3521/3.0=5...(7) HA LEU 86 - HG2 ARG 17 OK 17 79 - 22 - 3515/1.8=2, 3515=2...(8) HA ALA 16 - HG2 ARG 17 OK 17 75 - 23 - 22/5.0=20, 3716/5.0=2 HA LEU 86 - HG3 ARG 17 OK 17 76 - 22 - 3515/1.8=2, 3515=2...(8) HA ALA 16 - HG3 ARG 17 OK 16 73 - 23 - 22/5.0=20, 3716/5.0=2 HA LEU 86 - HG2 ARG 84 OK 12 71 - 17 - 3.0/862=2, 3517=2...(7) HA LEU 86 - HG3 ARG 84 OK 12 71 - 17 - 3.0/862=2, 3517=2...(7) HA PRO 34 - HG3 ARG 54 OK 11 60 - 18 - 1703/3.0=2, ~2325=2...(6) HA ARG 17 - HG LEU 86 OK 11 73 - 14 - 3521/3.0=2, 3549/2.1=2...(5) HA PRO 34 - HG LEU 86 lone 8 93 - 9 - 3521/3.0=1, 3549/2.1=1...(4) HA ARG 17 - HG2 ARG 84 poor 8 44 - 19 - 1149/3.0=1 HA ARG 17 - HG3 ARG 84 poor 8 44 - 19 - 1149/3.0=1 HA LEU 86 - HG3 ARG 70 lone 8 89 - 9 - 3.6/396=1 HA THR 88 - HG LEU 86 lone 7 78 - 9 - 3549/2.1=2, ~4840=1...(4) HA ALA 16 - HG LEU 86 lone 6 99 - 6 - 3521/3.0=1, 3549/2.1=1 HA LEU 86 - HG3 ARG 54 lone 6 70 - 8 - HA GLU 87 - HG2 ARG 17 lone 3 68 - 4 - HA ASP 38 - HG LEU 86 lone 3 76 - 4 - HA GLU 87 - HG3 ARG 17 lone 3 66 - 4 - HA SER 60 - HG LEU 86 lone 3 73 - 4 - HA SER 60 - HG3 ARG 54 lone 3 44 - 6 - ~4643=2, 3.6/5706=1, 3898/4.8=1 HA THR 88 - HG2 ARG 17 lone 2 54 - 4 - HA ASP 38 - HG3 ARG 54 lone 2 46 - 5 - 3.6/598=2, 5592/4.0=2 HA THR 88 - HG3 ARG 17 lone 2 53 - 4 - HA PRO 34 - HG2 ARG 84 lone 2 61 - 4 - HA PRO 34 - HG3 ARG 84 lone 2 61 - 4 - HA GLU 87 - HG3 ARG 70 lone 2 78 - 3 - 3.0/396=1 HA PRO 34 - HG2 ARG 17 lone 2 68 - 3 - HA PRO 34 - HG3 ARG 17 lone 2 66 - 3 - HA ARG 17 - HG3 ARG 70 lone 2 59 - 3 - HA GLU 87 - HG3 ARG 84 lone 1 61 - 2 - HA GLU 87 - HG2 ARG 84 lone 1 61 - 2 - HA ALA 16 - HG3 ARG 84 lone 1 67 - 2 - HA ALA 16 - HG2 ARG 84 lone 1 67 - 2 - HA SER 60 - HG2 ARG 17 lone 1 50 - 2 - HA SER 60 - HG3 ARG 17 lone 1 49 - 2 - HA ARG 17 - HG3 ARG 54 lone 1 44 - 3 - HA ASP 38 - HG2 ARG 17 lone 1 52 - 2 - HA PRO 34 - HG3 ARG 70 lone 1 78 - 1 - HA THR 88 - HG3 ARG 70 lone 1 63 - 2 - HA ASP 38 - HG3 ARG 17 lone 1 51 - 2 - HA ASP 38 - HG3 ARG 70 lone 1 61 - 2 - HA GLU 87 - HG3 ARG 54 lone 1 60 - 2 - HA ALA 16 - HG3 ARG 70 lone 1 85 - 1 - HA SER 60 - HG3 ARG 70 lone 1 59 - 2 - HA THR 88 - HG2 ARG 84 lone 1 48 - 2 - HA THR 88 - HG3 ARG 84 lone 1 48 - 2 - HA ASP 38 - HG3 ARG 84 lone 1 46 - 2 - HA ASP 38 - HG2 ARG 84 lone 1 46 - 2 - HA ALA 16 - HG3 ARG 54 lone 1 67 - 1 - HA SER 60 - HG2 ARG 84 lone 1 44 - 1 - HA SER 60 - HG3 ARG 84 lone 1 44 - 1 - HA THR 88 - HG3 ARG 54 lone 1 47 - 1 - Peak 3536 from cnoeabs.peaks (1.61, 1.60, 26.98 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG LEU 86 + HG LEU 86 OK 90 90 - 100 HG3 ARG 70 + HG3 ARG 70 OK 89 89 - 100 HG2 ARG 17 + HG2 ARG 17 OK 78 78 - 100 HG3 ARG 17 + HG3 ARG 17 OK 75 75 - 100 HG3 ARG 84 + HG3 ARG 84 OK 50 50 - 100 HG2 ARG 84 + HG2 ARG 84 OK 50 50 - 100 Reference assignment not found: HB2 LEU 86 - HG LEU 86 Peak 3537 from cnoeabs.peaks (1.56, 1.60, 26.98 ppm; 2.40 A): 7 out of 76 assignments used, quality = 0.91: * HB3 LEU 86 + HG LEU 86 OK 63 100 - 63 - 3.0=53, 3551/2.1=4...(7) HB3 ARG 54 + HG3 ARG 54 OK 41 59 - 70 - 3.0=54, 2326/1.8=9...(13) HB3 LEU 29 + HG LEU 86 OK 30 89 - 34 - 1.8/1486=3, 3531=3...(14) HG LEU 62 + HG LEU 86 OK 19 100 - 19 - 2591/2.1=1, 3.0/2574=1...(6) HB3 LEU 62 + HG LEU 86 OK 14 71 - 19 - 1.8/2574=2, ~2577=2...(4) HG2 LYS 39 + HG LEU 86 OK 12 92 - 13 - 1868=2, ~5206=1 HG2 LYS 39 + HG3 ARG 54 OK 10 59 - 17 - 1869=3, 2326/1.8=2...(5) HG LEU 62 - HG3 ARG 54 poor 10 69 - 15 - 2326/1.8=2, ~5004=1...(4) HD3 LYS 39 - HG LEU 86 lone 8 85 - 9 - HD2 LYS 39 - HG LEU 86 lone 8 83 - 9 - HD3 LYS 39 - HG3 ARG 54 poor 7 53 - 14 - 2328/1.8=1, 3.0/1869=1 HB3 LEU 62 - HG3 ARG 54 poor 7 42 - 18 - 2328/1.8=2, 1.8/2574=2 HD2 LYS 39 - HG3 ARG 54 poor 7 51 - 14 - 2328/1.8=1, 3.0/1869=1 HB3 LEU 29 - HG2 ARG 84 poor 6 57 - 11 - 1.8/1486=1 HB3 LEU 29 - HG3 ARG 84 poor 6 57 - 11 - 1.8/1486=1 HG LEU 64 - HG LEU 86 lone 6 76 - 8 - HB3 LEU 86 - HG2 ARG 17 lone 5 79 - 6 - HB3 LEU 86 - HG3 ARG 17 lone 5 76 - 6 - HG LEU 64 - HG3 ARG 70 lone 4 61 - 6 - HB3 LEU 86 - HG3 ARG 70 lone 4 89 - 4 - HB3 ARG 54 - HG LEU 86 lone 4 92 - 4 - HB3 LEU 86 - HG2 ARG 84 lone 3 71 - 4 - HB3 LEU 86 - HG3 ARG 84 lone 3 71 - 4 - HB3 LEU 29 - HG3 ARG 70 lone 3 73 - 4 - HG3 ARG 54 - HG LEU 86 lone 3 95 - 3 - HG LEU 62 - HG3 ARG 84 lone 3 70 - 4 - HG LEU 62 - HG2 ARG 84 lone 3 70 - 4 - HG2 LYS 39 - HG2 ARG 84 lone 3 60 - 4 - HG2 LYS 39 - HG3 ARG 84 lone 3 60 - 4 - HG LEU 64 - HG2 ARG 17 lone 3 52 - 5 - HG LEU 62 - HG3 ARG 70 lone 3 88 - 3 - HB3 LEU 86 - HG3 ARG 54 lone 2 70 - 3 - HG LEU 64 - HG3 ARG 17 lone 2 51 - 5 - HG3 ARG 23 - HG2 ARG 17 lone 2 54 - 4 - HG3 ARG 23 - HG3 ARG 17 lone 2 53 - 4 - HB3 LEU 62 - HG3 ARG 84 lone 2 43 - 5 - HB3 LEU 62 - HG2 ARG 84 lone 2 43 - 5 - HB3 LEU 62 - HG3 ARG 70 lone 1 57 - 3 - HB3 LEU 29 - HG3 ARG 54 lone 1 56 - 3 - HD3 LYS 39 - HG2 ARG 84 lone 1 53 - 2 - HD3 LYS 39 - HG3 ARG 84 lone 1 53 - 2 - HD2 LYS 39 - HG3 ARG 84 lone 1 52 - 2 - HD2 LYS 39 - HG2 ARG 84 lone 1 52 - 2 - HB3 ARG 54 - HG3 ARG 84 lone 1 60 - 2 - HB3 ARG 54 - HG2 ARG 84 lone 1 60 - 2 - HG LEU 64 - HG3 ARG 54 lone 1 46 - 3 - HG3 ARG 54 - HG3 ARG 84 lone 1 62 - 2 - HG3 ARG 54 - HG2 ARG 84 lone 1 62 - 2 - HG LEU 62 - HG2 ARG 17 lone 1 78 - 1 - HG LEU 62 - HG3 ARG 17 lone 1 76 - 1 - HB3 ARG 54 - HG3 ARG 70 lone 1 77 - 1 - HB3 LEU 29 - HG2 ARG 17 lone 1 64 - 1 - HB3 LEU 29 - HG3 ARG 17 lone 1 62 - 1 - HG2 LYS 39 - HG2 ARG 17 lone 1 67 - 1 - HG2 LYS 39 - HG3 ARG 17 lone 1 65 - 1 - HG3 ARG 23 - HG LEU 86 lone 1 78 - 1 - HB3 LEU 62 - HG2 ARG 17 lone 1 48 - 2 - HB3 LEU 62 - HG3 ARG 17 lone 1 47 - 2 - HG3 ARG 54 - HG3 ARG 70 lone 1 80 - 1 - HG3 ARG 23 - HG3 ARG 54 lone 1 47 - 1 - HG3 ARG 23 - HG3 ARG 84 lone 1 48 - 1 - HG3 ARG 23 - HG2 ARG 84 lone 1 48 - 1 - HD3 LYS 39 - HG2 ARG 17 lone 0 60 - 1 - HB3 ARG 54 - HG2 ARG 17 lone 0 67 - 1 - HD3 LYS 39 - HG3 ARG 17 lone 0 58 - 1 - HD2 LYS 39 - HG2 ARG 17 lone 0 58 - 1 - HB3 ARG 54 - HG3 ARG 17 lone 0 65 - 1 - HD2 LYS 39 - HG3 ARG 17 lone 0 56 - 1 - HG2 LYS 39 - HG3 ARG 70 lone 0 77 - 1 - HG LEU 64 - HG3 ARG 84 lone 0 46 - 1 - HG LEU 64 - HG2 ARG 84 lone 0 46 - 1 - HG3 ARG 54 - HG2 ARG 17 lone 0 70 - 0 - HG3 ARG 54 - HG3 ARG 17 lone 0 68 - 0 - HD3 LYS 39 - HG3 ARG 70 lone 0 70 - 0 - HG3 ARG 23 - HG3 ARG 70 lone 0 63 - 0 - HD2 LYS 39 - HG3 ARG 70 lone 0 68 - 0 - Peak 3538 from cnoeabs.peaks (1.60, 1.60, 26.98 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG LEU 86 + HG LEU 86 OK 100 100 - 100 HG3 ARG 70 + HG3 ARG 70 OK 78 78 - 100 HG2 ARG 84 + HG2 ARG 84 OK 69 69 - 100 HG3 ARG 84 + HG3 ARG 84 OK 69 69 - 100 HG2 ARG 17 + HG2 ARG 17 OK 58 58 - 100 HG3 ARG 17 + HG3 ARG 17 OK 55 55 - 100 HG3 ARG 54 + HG3 ARG 54 OK 47 47 - 100 Peak 3539 from cnoeabs.peaks (0.89, 1.60, 26.98 ppm; 4.02 A): 4 out of 42 assignments used, quality = 1.00: * QD1 LEU 86 + HG LEU 86 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 + HG LEU 86 OK 70 99 - 71 - ~6115=6, ~1503=6...(41) HG LEU 51 + HG3 ARG 54 OK 55 69 - 80 - ~5145=14, ~5144=11...(30) QD1 LEU 62 + HG LEU 86 OK 45 93 - 49 - ~2598=4, 3525/3.0=3...(26) HG LEU 51 - HG LEU 86 OK 42 100 - 42 - ~4520=4, 2233=4, ~2248=4...(20) QD1 LEU 62 - HG3 ARG 54 OK 25 60 - 41 - ~5004=4, ~2326=3...(19) QD1 LEU 29 - HG2 ARG 84 OK 17 67 - 25 - 2.1/1500=2, 3.1/1486=2...(10) QD1 LEU 29 - HG3 ARG 84 OK 17 67 - 25 - 2.1/1500=2, 3.1/1486=2...(10) QD1 LEU 29 - HG3 ARG 70 OK 14 85 - 16 - 5367/5.0=2, 5832/3.0=2...(7) QD1 LEU 86 - HG3 ARG 70 OK 14 89 - 15 - 5832/3.0=2, 5832/3.0=2...(4) QG2 VAL 90 - HG LEU 86 OK 13 97 - 14 - 4.0/5894=2, 3518/4.3=1...(4) QG1 VAL 90 - HG LEU 86 OK 13 96 - 14 - 4.0/5894=2, 3518/4.3=1...(4) QD1 LEU 86 - HG2 ARG 17 OK 11 79 - 13 - 4.0/3515=1, 4.8/860=1 QD1 LEU 86 - HG3 ARG 17 OK 10 76 - 14 - 4.0/3515=1, 4.8/860=1 QD1 LEU 62 - HG3 ARG 70 poor 10 78 - 13 - 5832/3.0=1, 5832/3.0=1...(4) QD1 LEU 86 - HG3 ARG 84 poor 8 71 - 12 - 4.8/862=1 QD1 LEU 86 - HG2 ARG 84 poor 8 71 - 12 - 4.8/862=1 QD1 LEU 86 - HG3 ARG 54 poor 8 70 - 11 - QD1 LEU 62 - HG3 ARG 84 poor 8 61 - 12 - QD1 LEU 62 - HG2 ARG 84 poor 8 61 - 12 - HG LEU 51 - HG2 ARG 84 lone 5 70 - 7 - HG LEU 51 - HG3 ARG 84 lone 5 70 - 7 - QD1 LEU 29 - HG3 ARG 54 lone 5 67 - 7 - QD1 LEU 62 - HG2 ARG 17 lone 4 68 - 6 - HG LEU 51 - HG3 ARG 70 lone 4 88 - 4 - QD1 LEU 62 - HG3 ARG 17 lone 4 66 - 6 - QD1 LEU 29 - HG2 ARG 17 lone 3 75 - 4 - QD1 LEU 29 - HG3 ARG 17 lone 3 73 - 4 - HG LEU 51 - HG2 ARG 17 lone 3 78 - 4 - HG LEU 51 - HG3 ARG 17 lone 3 76 - 4 - QG2 VAL 90 - HG3 ARG 70 lone 2 82 - 2 - QG1 VAL 90 - HG3 ARG 70 lone 2 81 - 2 - QG2 VAL 90 - HG2 ARG 84 lone 1 65 - 2 - QG2 VAL 90 - HG3 ARG 84 lone 1 65 - 2 - QG2 VAL 90 - HG3 ARG 54 lone 1 64 - 2 - QG1 VAL 90 - HG2 ARG 84 lone 1 63 - 2 - QG1 VAL 90 - HG3 ARG 84 lone 1 63 - 2 - QG1 VAL 90 - HG3 ARG 54 lone 1 63 - 2 - QG2 VAL 90 - HG2 ARG 17 lone 1 72 - 1 - QG1 VAL 90 - HG2 ARG 17 lone 1 71 - 1 - QG2 VAL 90 - HG3 ARG 17 lone 1 70 - 1 - QG1 VAL 90 - HG3 ARG 17 lone 1 69 - 1 - Peak 3540 from cnoeabs.peaks (0.83, 1.60, 26.98 ppm; 4.20 A): 3 out of 49 assignments used, quality = 1.00: * QD2 LEU 86 + HG LEU 86 OK 100 100 - 100 - 2.1=100 QD2 LEU 29 + HG LEU 86 OK 71 96 - 75 - ~6115=6, ~1503=6...(44) QG2 ILE 89 + HG LEU 86 OK 47 98 - 48 - 3617/2.1=6, ~4840=5...(20) QD1 ILE 89 - HG LEU 86 OK 32 78 - 41 - ~4840=6, 5904/4.3=5...(16) QD2 LEU 64 - HG LEU 86 OK 26 96 - 27 - 2644/3.0=3, ~2652=2...(10) QD1 LEU 43 - HG LEU 86 OK 23 100 - 23 - 5214=3, 5214/3.0=2...(10) QD2 LEU 64 - HG3 ARG 70 OK 21 81 - 26 - 2643/1.8=3, 2642/2.9=2...(10) QD2 LEU 29 - HG2 ARG 84 OK 19 63 - 29 - 1513/3.0=2, 2.1/1500=2...(11) QD2 LEU 29 - HG3 ARG 84 OK 19 63 - 29 - 1513/3.0=2, 2.1/1500=2...(11) QD2 LEU 64 - HG2 ARG 17 OK 16 71 - 22 - 3918/5.0=3, 5161/1.8=3...(7) QD2 LEU 64 - HG3 ARG 17 OK 15 69 - 22 - 3918/5.0=3, 5161/1.8=3...(7) QG2 ILE 89 - HG2 ARG 84 OK 15 67 - 23 - 3612/3.9=3, 3613/3.0=3...(10) QG2 ILE 89 - HG3 ARG 84 OK 15 67 - 23 - 3612/3.9=3, 3613/3.0=3...(10) QD2 LEU 86 - HG3 ARG 70 OK 14 89 - 15 - 5831/4.9=2, ~2869=1...(4) QD2 LEU 86 - HG2 ARG 17 OK 12 79 - 16 - 4.0/3515=1, 4.8/860=1 QD2 LEU 86 - HG3 ARG 17 OK 12 76 - 16 - 4.0/3515=1, 4.8/860=1 QD2 LEU 29 - HG3 ARG 70 OK 11 81 - 14 - ~1499=2, 1513/1.8=2...(5) QD1 LEU 43 - HG3 ARG 54 OK 11 69 - 16 - 2030/4.9=4, 5295/3.7=3...(4) QD2 LEU 86 - HG3 ARG 84 poor 10 71 - 13 - 4.8/862=1 QD2 LEU 86 - HG2 ARG 84 poor 10 71 - 13 - 4.8/862=1 QD1 LEU 43 - HG3 ARG 70 poor 10 88 - 11 - 5831/4.9=2, 2032/1.8=1...(4) QD1 LEU 43 - HG2 ARG 84 poor 8 70 - 12 - 5214=1, 5214/1.8=1, 2032/3.0=1 QD1 LEU 43 - HG3 ARG 84 poor 8 70 - 12 - 5214=1, 5214/1.8=1, 2032/3.0=1 QD1 ILE 89 - HG3 ARG 84 poor 8 48 - 16 - 3633/3.9=2, 3634/3.0=2...(7) QD1 ILE 89 - HG2 ARG 84 poor 8 48 - 16 - 3633/3.9=2, 3634/3.0=2...(7) QG2 ILE 68 - HG3 ARG 70 poor 7 59 - 12 - 5831/4.9=4, 5835/5.0=4 QG2 ILE 68 - HG LEU 86 lone 7 73 - 9 - ~4759=1 QD2 LEU 86 - HG3 ARG 54 lone 7 70 - 10 - QG2 ILE 89 - HG2 ARG 17 lone 6 74 - 7 - 3613/2.9=1 QG2 ILE 89 - HG3 ARG 17 lone 5 72 - 7 - 3613/2.9=1 QD2 LEU 64 - HG3 ARG 54 lone 5 63 - 9 - 2644/3.0=1 QD2 LEU 64 - HG3 ARG 84 lone 4 63 - 6 - 5015/5.0=1 QD2 LEU 64 - HG2 ARG 84 lone 4 63 - 6 - 5015/5.0=1 QD2 LEU 29 - HG2 ARG 17 lone 4 71 - 5 - QD2 LEU 29 - HG3 ARG 17 lone 4 69 - 5 - QD2 LEU 29 - HG3 ARG 54 lone 4 63 - 6 - QD1 ILE 89 - HG2 ARG 17 lone 3 54 - 6 - QD1 ILE 89 - HG3 ARG 17 lone 3 53 - 6 - QD1 LEU 43 - HG2 ARG 17 lone 3 78 - 3 - QD1 LEU 43 - HG3 ARG 17 lone 3 76 - 3 - QD1 ILE 89 - HG3 ARG 70 lone 2 63 - 4 - 5831/4.9=1 QG2 ILE 89 - HG3 ARG 70 lone 2 84 - 2 - QG2 ILE 89 - HG3 ARG 54 lone 2 66 - 3 - QG2 ILE 68 - HG3 ARG 84 lone 1 44 - 3 - QG2 ILE 68 - HG2 ARG 84 lone 1 44 - 3 - QG2 ILE 68 - HG2 ARG 17 lone 1 50 - 3 - QG2 ILE 68 - HG3 ARG 17 lone 1 49 - 3 - QD1 ILE 89 - HG3 ARG 54 lone 1 47 - 2 - QG2 ILE 68 - HG3 ARG 54 lone 1 44 - 2 - Peak 3542 from cnoeabs.peaks (4.30, 0.89, 24.55 ppm; 4.34 A): 2 out of 24 assignments used, quality = 1.00: * HA LEU 86 + QD1 LEU 86 OK 100 100 - 100 - 4.0=100 HA LEU 86 + QD1 LEU 29 OK 58 98 - 60 - 3518=12, 3519/2.1=10...(26) HA LEU 86 - QD1 LEU 62 OK 35 90 - 39 - 3518=7, 3516/2.1=5...(16) HA GLU 87 - QD1 LEU 86 OK 28 93 - 30 - ~397=8, 3521/3.1=5...(7) HA ARG 17 - QD1 LEU 86 OK 11 73 - 15 - 3521/3.1=2, 3549/2.1=2...(4) HA PRO 34 - QD1 LEU 86 lone 9 93 - 10 - 3521/3.1=1, 3549/2.1=1...(4) HA THR 88 - QD1 LEU 86 lone 8 78 - 10 - 3549/2.1=2, ~4840=2...(5) HA GLU 87 - QD1 LEU 29 lone 8 89 - 9 - ~5919=2, ~397=2 HA ALA 16 - QD1 LEU 86 lone 6 99 - 6 - 3521/3.1=1, 3549/2.1=1 HA ASP 38 - QD1 LEU 62 lone 6 62 - 9 - ~5598=3, 5775/4.8=3, 4890/2.1=2 HA ARG 17 - QD1 LEU 62 lone 5 60 - 8 - 1149/3.1=1, 5775/4.8=1, ~486=1 HA GLU 87 - QD1 LEU 62 lone 5 80 - 6 - ~397=2 HA SER 60 - QD1 LEU 62 lone 5 60 - 8 - 5775/4.8=4, 4647/260=2 HA SER 60 - QD1 LEU 29 lone 3 68 - 5 - 4647/260=1 HA THR 88 - QD1 LEU 29 lone 3 73 - 5 - ~4840=1 HA PRO 34 - QD1 LEU 62 lone 3 80 - 4 - HA SER 60 - QD1 LEU 86 lone 3 73 - 4 - HA ARG 17 - QD1 LEU 29 lone 3 68 - 4 - HA ASP 38 - QD1 LEU 86 lone 3 76 - 4 - HA PRO 34 - QD1 LEU 29 lone 2 89 - 2 - HA ALA 16 - QD1 LEU 29 lone 2 95 - 2 - HA THR 88 - QD1 LEU 62 lone 2 65 - 3 - HA ASP 38 - QD1 LEU 29 lone 2 71 - 2 - HA ALA 16 - QD1 LEU 62 lone 1 87 - 2 - Peak 3543 from cnoeabs.peaks (1.61, 0.89, 24.55 ppm; 3.19 A): 4 out of 51 assignments used, quality = 1.00: * HB2 LEU 86 + QD1 LEU 86 OK 100 100 - 100 - 3.1=100 HG LEU 86 + QD1 LEU 86 OK 90 90 - 100 - 2.1=100 HB3 LEU 62 + QD1 LEU 62 OK 55 55 - 100 - 3.1=100 HB2 LEU 86 + QD1 LEU 29 OK 52 98 - 53 - 3525=6, 3526/2.1=4...(29) HG LEU 86 - QD1 LEU 29 OK 42 85 - 50 - 2.1/3553=4, 3.0/3525=4...(27) HB3 LEU 62 - QD1 LEU 29 OK 30 63 - 48 - 1.8/2577=7, 3.1/2598=5...(19) HB2 LEU 86 - QD1 LEU 62 OK 30 90 - 33 - 3525=4, 3523/2.1=3...(12) HB3 LEU 51 - QD1 LEU 86 OK 29 92 - 32 - 2227=5, 3.1/2248=3...(10) HB3 LEU 51 - QD1 LEU 62 OK 26 78 - 33 - 2227=4, ~5004=3...(12) HB3 LEU 62 - QD1 LEU 86 OK 24 68 - 36 - 1.8/2577=5, 3.0/2570=3...(12) HG LEU 86 - QD1 LEU 62 OK 22 76 - 29 - ~2598=2, 3.0/3525=2...(11) HB3 LEU 51 - QD1 LEU 29 OK 21 87 - 25 - 2227=4, 3.1/2248=2...(9) HG2 ARG 84 - QD1 LEU 29 OK 11 76 - 15 - HG3 ARG 84 - QD1 LEU 29 OK 11 76 - 15 - HG3 ARG 70 - QD1 LEU 29 OK 10 97 - 10 - 1.8/1506=1, 3.0/5832=1 HG3 ARG 70 - QD1 LEU 86 OK 10 100 - 10 - HG2 ARG 26 - QD1 LEU 62 poor 10 87 - 11 - 4.9/5516=2, ~5958=1...(4) HG3 ARG 17 - QD1 LEU 86 lone 9 100 - 9 - HG2 ARG 17 - QD1 LEU 86 lone 9 100 - 9 - HG2 ARG 71 - QD1 LEU 62 lone 7 89 - 8 - HG2 ARG 26 - QD1 LEU 29 lone 7 96 - 7 - 4.9/5516=2, 3.7/4805=1 HG3 ARG 70 - QD1 LEU 62 lone 7 90 - 7 - HD3 LYS 73 - QD1 LEU 29 lone 7 97 - 7 - HD2 LYS 73 - QD1 LEU 29 lone 7 97 - 7 - HD3 LYS 73 - QD1 LEU 86 lone 7 100 - 7 - HD2 LYS 73 - QD1 LEU 86 lone 7 100 - 7 - HG2 ARG 71 - QD1 LEU 29 lone 6 97 - 6 - HG2 ARG 84 - QD1 LEU 86 lone 6 81 - 7 - HG3 ARG 84 - QD1 LEU 86 lone 6 81 - 7 - HG2 ARG 26 - QD1 LEU 86 lone 6 99 - 6 - HD2 LYS 73 - QD1 LEU 62 lone 6 89 - 6 - HD3 LYS 73 - QD1 LEU 62 lone 6 89 - 6 - HG2 ARG 71 - QD1 LEU 86 lone 5 100 - 5 - HD3 LYS 32 - QD1 LEU 62 lone 5 90 - 6 - HD2 LYS 32 - QD1 LEU 62 lone 5 89 - 5 - HD3 LYS 32 - QD1 LEU 86 lone 5 100 - 4 - HD2 LYS 32 - QD1 LEU 86 lone 4 100 - 4 - HD3 LYS 32 - QD1 LEU 29 lone 4 97 - 4 - HD2 LYS 32 - QD1 LEU 29 lone 4 97 - 4 - HG3 ARG 84 - QD1 LEU 62 lone 4 67 - 6 - HG2 ARG 84 - QD1 LEU 62 lone 4 67 - 6 - HG2 ARG 17 - QD1 LEU 62 lone 3 89 - 4 - HG3 ARG 17 - QD1 LEU 62 lone 3 89 - 4 - HG2 ARG 17 - QD1 LEU 29 lone 3 97 - 3 - HG3 ARG 17 - QD1 LEU 29 lone 3 97 - 3 - HG2 ARG 27 - QD1 LEU 86 lone 3 89 - 3 - HG3 ARG 27 - QD1 LEU 86 lone 3 87 - 3 - HG2 ARG 27 - QD1 LEU 29 lone 2 84 - 3 - HG3 ARG 27 - QD1 LEU 29 lone 2 82 - 3 - HG2 ARG 27 - QD1 LEU 62 lone 1 75 - 2 - HG3 ARG 27 - QD1 LEU 62 lone 1 73 - 2 - Peak 3544 from cnoeabs.peaks (1.56, 0.89, 24.55 ppm; 2.76 A): 4 out of 33 assignments used, quality = 1.00: HG LEU 62 + QD1 LEU 62 OK 90 90 - 100 - 2.1=100 * HB3 LEU 86 + QD1 LEU 86 OK 80 100 - 80 - 3.1=71, 3537/2.1=6...(10) HB3 LEU 29 + QD1 LEU 29 OK 70 84 - 84 - 3.1=70, ~1499=9, ~1487=8...(15) HB3 LEU 62 + QD1 LEU 62 OK 47 58 - 82 - 3.1=70, 3.0/2570=6...(15) HB3 LEU 29 - QD1 LEU 86 OK 41 89 - 47 - 1.8/1488=6, 3.0/6115=4...(20) HB3 LEU 86 - QD1 LEU 29 OK 41 98 - 42 - 1.8/3525=4, 1494/2.1=3...(18) HG LEU 62 - QD1 LEU 29 OK 37 97 - 38 - 2.1/2598=5, 3.0/2577=4...(15) HG LEU 62 - QD1 LEU 86 OK 28 100 - 28 - 2.1/2598=3, 3.0/2577=3...(10) HB3 LEU 29 - QD1 LEU 62 OK 26 75 - 36 - 1.8/1488=5, 3.0/6115=4...(16) HB3 LEU 62 - QD1 LEU 29 OK 26 66 - 39 - 1.8/2577=6, 1494/2.1=4...(14) HB3 LEU 86 - QD1 LEU 62 OK 22 90 - 24 - 1.8/3525=2, 2575/3.1=2...(9) HB3 LEU 62 - QD1 LEU 86 OK 20 71 - 28 - 1.8/2577=4, 3.1/2598=2...(11) HG3 ARG 54 - QD1 LEU 62 OK 17 81 - 21 - ~5004=2, 2591=2...(9) HG LEU 64 - QD1 LEU 29 OK 17 71 - 24 - ~1503=2, ~2652=2...(14) HB3 ARG 54 - QD1 LEU 62 OK 15 78 - 20 - 2575/3.1=1, ~2594=1...(7) HG2 LYS 39 - QD1 LEU 86 OK 15 92 - 16 - ~5206=2, 1869/2.1=1...(4) HD3 LYS 39 - QD1 LEU 86 OK 11 85 - 12 - 3.0/5119=1, ~5206=1 HD2 LYS 39 - QD1 LEU 86 OK 10 83 - 12 - 3.0/5119=1, ~5206=1 HG LEU 64 - QD1 LEU 86 poor 10 76 - 13 - HG LEU 64 - QD1 LEU 62 poor 9 62 - 14 - HG2 LYS 39 - QD1 LEU 62 lone 7 78 - 9 - HB3 ARG 54 - QD1 LEU 86 lone 6 92 - 6 - HG3 ARG 54 - QD1 LEU 86 lone 5 95 - 5 - HG2 LYS 39 - QD1 LEU 29 lone 5 87 - 6 - HD3 LYS 39 - QD1 LEU 62 lone 5 71 - 6 - HD2 LYS 39 - QD1 LEU 62 lone 5 69 - 6 - HD3 LYS 39 - QD1 LEU 29 lone 4 80 - 5 - HD2 LYS 39 - QD1 LEU 29 lone 4 78 - 5 - HG3 ARG 54 - QD1 LEU 29 lone 3 90 - 3 - HB3 ARG 54 - QD1 LEU 29 lone 3 87 - 3 - HG3 ARG 23 - QD1 LEU 29 lone 2 73 - 2 - HG3 ARG 23 - QD1 LEU 86 lone 2 78 - 2 - HG3 ARG 23 - QD1 LEU 62 lone 1 65 - 2 - Peak 3545 from cnoeabs.peaks (1.60, 0.89, 24.55 ppm; 2.88 A): 4 out of 57 assignments used, quality = 1.00: * HG LEU 86 + QD1 LEU 86 OK 100 100 - 100 - 2.1=100 HB2 LEU 86 + QD1 LEU 86 OK 78 90 - 86 - 3.1=81, ~3549=4...(11) HB3 LEU 62 + QD1 LEU 62 OK 75 85 - 89 - 3.1=79, 3.0/2570=6...(16) HB3 LEU 29 + QD1 LEU 29 OK 73 82 - 90 - 3.1=79, ~1499=10...(15) HG LEU 86 - QD1 LEU 29 OK 43 98 - 44 - 2.1/3553=3, 3.0/3525=3...(24) HB3 LEU 29 - QD1 LEU 86 OK 41 87 - 48 - 1.8/1488=6, 3.0/6115=4...(19) HB3 LEU 62 - QD1 LEU 29 OK 40 93 - 43 - 1.8/2577=6, 1494/2.1=4...(18) HB2 LEU 86 - QD1 LEU 29 OK 37 85 - 44 - 3525=4, 3526/2.1=3...(23) HB3 LEU 62 - QD1 LEU 86 OK 29 97 - 30 - 1.8/2577=4, 3.1/2598=3...(10) HB3 LEU 29 - QD1 LEU 62 OK 29 73 - 40 - 1.8/1488=5, 3.0/6115=4...(17) HB3 LEU 51 - QD1 LEU 86 OK 25 100 - 26 - 2227=4, 3.1/2248=3...(10) HB3 LEU 51 - QD1 LEU 62 OK 25 90 - 28 - 2227=4, ~5004=3...(10) HG LEU 86 - QD1 LEU 62 OK 23 90 - 26 - 3537/2.1=2, ~2598=2...(11) HB3 LEU 51 - QD1 LEU 29 OK 21 98 - 21 - 2227=3, 3.1/2248=2...(10) HB2 LEU 86 - QD1 LEU 62 OK 21 76 - 27 - 3525=3, 3523/2.1=2...(10) HG3 ARG 54 - QD1 LEU 62 OK 14 65 - 21 - ~5004=2, ~2326=2...(7) HG3 ARG 84 - QD1 LEU 29 OK 13 97 - 13 - 1500/2.1=1 HG2 ARG 84 - QD1 LEU 29 OK 13 97 - 13 - 1500/2.1=1 HD2 LYS 39 - QD1 LEU 86 OK 11 92 - 12 - 3.0/5119=1, ~5206=1 HD3 LYS 39 - QD1 LEU 86 OK 11 90 - 12 - 3.0/5119=1, ~5206=1 HG3 ARG 70 - QD1 LEU 29 lone 7 89 - 8 - HG3 ARG 70 - QD1 LEU 86 lone 7 93 - 8 - HG3 ARG 84 - QD1 LEU 86 lone 6 100 - 6 - HG2 ARG 84 - QD1 LEU 86 lone 6 100 - 6 - HD2 LYS 39 - QD1 LEU 62 lone 6 78 - 7 - HG2 ARG 17 - QD1 LEU 86 lone 6 83 - 7 - HD3 LYS 39 - QD1 LEU 62 lone 6 76 - 7 - HG3 ARG 17 - QD1 LEU 86 lone 6 81 - 7 - HG2 ARG 26 - QD1 LEU 62 lone 5 62 - 9 - 4.9/5516=1, ~5958=1 HD2 LYS 39 - QD1 LEU 29 lone 5 87 - 6 - HD3 LYS 39 - QD1 LEU 29 lone 5 85 - 6 - HG2 ARG 84 - QD1 LEU 62 lone 5 89 - 6 - HG3 ARG 84 - QD1 LEU 62 lone 5 89 - 6 - HG3 ARG 70 - QD1 LEU 62 lone 5 80 - 6 - HD2 LYS 73 - QD1 LEU 86 lone 5 96 - 5 - HD3 LYS 73 - QD1 LEU 86 lone 5 96 - 5 - HD2 LYS 73 - QD1 LEU 29 lone 5 91 - 5 - HD3 LYS 73 - QD1 LEU 29 lone 5 91 - 5 - HD2 LYS 73 - QD1 LEU 62 lone 4 82 - 5 - HD3 LYS 73 - QD1 LEU 62 lone 4 82 - 5 - HG2 ARG 71 - QD1 LEU 62 lone 4 67 - 6 - HG3 ARG 54 - QD1 LEU 86 lone 4 78 - 5 - HG2 ARG 26 - QD1 LEU 29 lone 4 71 - 5 - 4.9/5516=1 HD2 LYS 32 - QD1 LEU 62 lone 4 82 - 4 - HD3 LYS 32 - QD1 LEU 62 lone 4 80 - 4 - HG2 ARG 71 - QD1 LEU 29 lone 3 76 - 5 - HG2 ARG 71 - QD1 LEU 86 lone 3 81 - 4 - HD3 LYS 32 - QD1 LEU 86 lone 3 93 - 3 - HG2 ARG 26 - QD1 LEU 86 lone 3 76 - 4 - HD2 LYS 32 - QD1 LEU 86 lone 3 96 - 3 - HD2 LYS 32 - QD1 LEU 29 lone 3 91 - 3 - HD3 LYS 32 - QD1 LEU 29 lone 3 89 - 3 - HG3 ARG 54 - QD1 LEU 29 lone 2 73 - 3 - HG2 ARG 17 - QD1 LEU 62 lone 2 69 - 3 - HG3 ARG 17 - QD1 LEU 62 lone 2 67 - 3 - HG2 ARG 17 - QD1 LEU 29 lone 2 78 - 2 - HG3 ARG 17 - QD1 LEU 29 lone 2 76 - 2 - Peak 3546 from cnoeabs.peaks (0.89, 0.89, 24.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 86 + QD1 LEU 86 OK 100 100 - 100 QD1 LEU 29 + QD1 LEU 29 OK 95 95 - 100 QD1 LEU 62 + QD1 LEU 62 OK 80 80 - 100 Peak 3547 from cnoeabs.peaks (0.83, 0.89, 24.55 ppm; 2.40 A): 2 out of 21 assignments used, quality = 1.00: * QD2 LEU 86 + QD1 LEU 86 OK 100 100 - 100 - 2.1=100 QD2 LEU 29 + QD1 LEU 29 OK 91 91 - 100 - 2.1=100 QD2 LEU 29 - QD1 LEU 86 OK 32 96 - 34 - 1516=5, 2.1/6115=3...(13) QD2 LEU 86 - QD1 LEU 29 OK 31 98 - 32 - 3553=5, 1503/2.1=3...(12) QD2 LEU 29 - QD1 LEU 62 OK 21 82 - 25 - 1516=4, 2.1/6115=3...(9) QG2 ILE 89 - QD1 LEU 86 OK 16 98 - 17 - 3617/2.1=3, 3519/4.0=1...(5) QD2 LEU 64 - QD1 LEU 29 OK 16 91 - 17 - 1503/2.1=2, 1489/3.1=2...(4) QD2 LEU 86 - QD1 LEU 62 OK 14 90 - 16 - 3553=2, 3.1/3525=1, 3551/2.1=1 QD1 LEU 43 - QD1 LEU 29 OK 14 97 - 14 - 2032/3.1=2, 5214/3.1=2 QG2 ILE 89 - QD1 LEU 29 OK 13 94 - 14 - 1503/2.1=2, ~4840=2...(5) QD1 LEU 43 - QD1 LEU 62 OK 13 90 - 15 - 2036/2.1=2, 5214/3.1=2...(4) QD1 ILE 89 - QD1 LEU 86 OK 10 78 - 13 - 3635/2.1=3, ~4840=2...(4) QD2 LEU 64 - QD1 LEU 86 lone 8 96 - 8 - QD2 LEU 64 - QD1 LEU 62 lone 8 82 - 9 - 2646/2.1=1 QD1 ILE 89 - QD1 LEU 29 poor 8 73 - 10 - 3635/2.1=2, ~4840=2, ~3621=1 QD1 LEU 43 - QD1 LEU 86 lone 7 100 - 7 - 5214/2.1=1 QG2 ILE 68 - QD1 LEU 62 lone 3 60 - 5 - QG2 ILE 68 - QD1 LEU 86 lone 2 73 - 3 - QG2 ILE 89 - QD1 LEU 62 lone 1 86 - 1 - QD1 ILE 89 - QD1 LEU 62 lone 1 65 - 1 - QG2 ILE 68 - QD1 LEU 29 lone 1 68 - 1 - Peak 3549 from cnoeabs.peaks (4.30, 0.83, 23.40 ppm; 3.50 A): 3 out of 16 assignments used, quality = 0.91: * HA LEU 86 + QD2 LEU 86 OK 81 100 - 81 - 4.0=67, 3517/2.1=8...(17) HA LEU 86 + QD2 LEU 29 OK 40 87 - 46 - 3519=11, 3518/2.1=6...(18) HA GLU 87 + QD2 LEU 86 OK 18 93 - 19 - ~397=4, 3521/3.1=4...(7) HA ARG 17 - QD2 LEU 86 poor 7 73 - 10 - 3521/3.1=1 HA THR 88 - QD2 LEU 86 lone 6 78 - 8 - 3.5/5268=2, 3.2/4840=1 HA PRO 34 - QD2 LEU 86 lone 5 93 - 6 - 3521/3.1=1 HA GLU 87 - QD2 LEU 29 lone 4 77 - 5 - 3.0/5919=1 HA ALA 16 - QD2 LEU 86 lone 4 99 - 4 - HA THR 88 - QD2 LEU 29 lone 3 62 - 5 - 3.5/5268=2, 3.2/4840=1 HA SER 60 - QD2 LEU 29 lone 2 58 - 4 - 4995/4681=1 HA ASP 38 - QD2 LEU 86 lone 2 76 - 3 - HA ARG 17 - QD2 LEU 29 lone 2 58 - 3 - HA SER 60 - QD2 LEU 86 lone 2 73 - 3 - HA ALA 16 - QD2 LEU 29 lone 1 84 - 1 - HA PRO 34 - QD2 LEU 29 lone 1 77 - 1 - HA ASP 38 - QD2 LEU 29 lone 1 60 - 2 - Peak 3550 from cnoeabs.peaks (1.61, 0.83, 23.40 ppm; 3.40 A): 3 out of 34 assignments used, quality = 1.00: * HB2 LEU 86 + QD2 LEU 86 OK 100 100 - 100 - 3.1=100 HG LEU 86 + QD2 LEU 86 OK 90 90 - 100 - 2.1=100 HB2 LEU 86 + QD2 LEU 29 OK 52 87 - 60 - 3526=6, 3.0/3519=6...(34) HG LEU 86 - QD2 LEU 29 OK 41 74 - 56 - ~6115=4, 3.0/3526=4...(29) HB3 LEU 51 - QD2 LEU 86 OK 27 92 - 30 - 2227/2.1=4, 3.1/4520=4...(11) HB3 LEU 62 - QD2 LEU 29 OK 26 53 - 49 - ~2577=5, ~2570=3, 3526=3...(25) HB3 LEU 62 - QD2 LEU 86 OK 25 68 - 37 - ~2577=4, 3526=2, ~2570=2...(16) HB3 LEU 51 - QD2 LEU 29 OK 18 75 - 23 - 2227/2.1=3, 3.1/4520=3...(9) HG2 ARG 84 - QD2 LEU 29 OK 12 64 - 18 - 3.0/1513=1, ~1500=1, ~1499=1 HG3 ARG 84 - QD2 LEU 29 OK 12 64 - 18 - 3.0/1513=1, ~1500=1, ~1499=1 HG3 ARG 17 - QD2 LEU 86 OK 11 100 - 11 - HG2 ARG 17 - QD2 LEU 86 OK 11 100 - 11 - HG3 ARG 70 - QD2 LEU 86 OK 10 100 - 10 - HG3 ARG 70 - QD2 LEU 29 lone 8 87 - 9 - ~1499=1 HD2 LYS 73 - QD2 LEU 86 lone 7 100 - 7 - HD3 LYS 73 - QD2 LEU 86 lone 7 100 - 7 - HD2 LYS 73 - QD2 LEU 29 lone 7 86 - 8 - HD3 LYS 73 - QD2 LEU 29 lone 7 86 - 8 - HG2 ARG 84 - QD2 LEU 86 lone 7 81 - 9 - HG3 ARG 84 - QD2 LEU 86 lone 7 81 - 9 - HG2 ARG 26 - QD2 LEU 86 lone 7 99 - 7 - HG2 ARG 71 - QD2 LEU 86 lone 7 100 - 7 - HG2 ARG 26 - QD2 LEU 29 lone 7 85 - 8 - 3.7/5349=1 HG2 ARG 71 - QD2 LEU 29 lone 6 86 - 7 - 3.8/4163=1 HD3 LYS 32 - QD2 LEU 86 lone 5 100 - 5 - HD2 LYS 32 - QD2 LEU 86 lone 5 100 - 5 - HG2 ARG 27 - QD2 LEU 86 lone 5 89 - 5 - 5.0/5521=1 HD3 LYS 32 - QD2 LEU 29 lone 5 87 - 5 - HG3 ARG 27 - QD2 LEU 86 lone 5 87 - 5 - 5.0/5521=1 HD2 LYS 32 - QD2 LEU 29 lone 5 86 - 5 - HG2 ARG 27 - QD2 LEU 29 lone 4 72 - 6 - 5.0/5521=2 HG3 ARG 27 - QD2 LEU 29 lone 4 70 - 6 - 5.0/5521=2 HG2 ARG 17 - QD2 LEU 29 lone 3 86 - 4 - HG3 ARG 17 - QD2 LEU 29 lone 3 86 - 4 - Peak 3551 from cnoeabs.peaks (1.56, 0.83, 23.40 ppm; 3.02 A): 3 out of 22 assignments used, quality = 0.99: * HB3 LEU 86 + QD2 LEU 86 OK 96 100 - 96 - 3.1=94, 3.0/3549=9...(12) HB3 LEU 29 + QD2 LEU 29 OK 69 72 - 96 - 3.1=92, ~1499=11...(14) HB3 LEU 29 + QD2 LEU 86 OK 47 89 - 53 - 1.8/1489=6, 3.0/1503=4...(23) HB3 LEU 86 - QD2 LEU 29 OK 44 87 - 50 - 3.0/3519=4, 1.8/3526=4...(25) HG LEU 62 - QD2 LEU 29 OK 34 87 - 40 - 2591/2.1=4, 1500/2.1=3...(20) HG LEU 62 - QD2 LEU 86 OK 28 100 - 29 - 2591/2.1=3, ~2598=2...(10) HB3 LEU 62 - QD2 LEU 29 OK 23 55 - 43 - 1494/2.1=5, ~2577=4...(23) HB3 LEU 62 - QD2 LEU 86 OK 22 71 - 31 - ~2577=3, 1496=2, ~2570=2...(13) HG LEU 64 - QD2 LEU 29 OK 20 60 - 34 - 2.1/2652=5, 3.0/2624=3...(14) HG2 LYS 39 - QD2 LEU 86 OK 20 92 - 21 - 1.8/5206=2, 2.9/5111=2...(4) HD3 LYS 39 - QD2 LEU 86 OK 15 85 - 17 - 3.0/5206=2, 3.5/5111=2, ~5119=1 HG LEU 64 - QD2 LEU 86 OK 15 76 - 19 - 2.1/2652=2, 3.0/2631=2...(4) HD2 LYS 39 - QD2 LEU 86 OK 14 83 - 17 - 3.0/5206=2, 3.5/5111=2, ~5119=1 HG2 LYS 39 - QD2 LEU 29 lone 7 75 - 9 - 1.8/5206=1 HB3 ARG 54 - QD2 LEU 86 lone 6 92 - 6 - HD3 LYS 39 - QD2 LEU 29 lone 6 68 - 8 - 3.0/5206=1 HD2 LYS 39 - QD2 LEU 29 lone 5 66 - 8 - 3.0/5206=1 HG3 ARG 54 - QD2 LEU 86 lone 5 95 - 5 - HG3 ARG 23 - QD2 LEU 29 lone 2 62 - 4 - HG3 ARG 23 - QD2 LEU 86 lone 2 78 - 3 - HB3 ARG 54 - QD2 LEU 29 lone 2 75 - 3 - HG3 ARG 54 - QD2 LEU 29 lone 2 78 - 3 - Peak 3552 from cnoeabs.peaks (1.60, 0.83, 23.40 ppm; 3.09 A): 4 out of 38 assignments used, quality = 1.00: * HG LEU 86 + QD2 LEU 86 OK 100 100 - 100 - 2.1=100 HB2 LEU 86 + QD2 LEU 86 OK 90 90 - 100 - 3.1=100 HB3 LEU 29 + QD2 LEU 29 OK 69 70 - 99 - 3.1=98, ~1499=11...(15) HB3 LEU 29 + QD2 LEU 86 OK 45 87 - 52 - 1.8/1489=6, 3.0/1503=5...(24) HG LEU 86 - QD2 LEU 29 OK 43 87 - 50 - 2.1/3553=3, 3.0/3526=3...(27) HB2 LEU 86 - QD2 LEU 29 OK 37 74 - 51 - 3.0/3519=5, 3526=4...(26) HB3 LEU 62 - QD2 LEU 29 OK 36 82 - 45 - 1494/2.1=5, ~2577=4...(24) HB3 LEU 62 - QD2 LEU 86 OK 31 97 - 32 - ~2577=3, 1496=2, ~2570=2...(13) HB3 LEU 51 - QD2 LEU 86 OK 25 100 - 25 - 2227/2.1=4, 3.1/4520=3...(8) HB3 LEU 51 - QD2 LEU 29 OK 18 87 - 21 - 2227/2.1=3, 3.1/4520=3...(7) HD2 LYS 39 - QD2 LEU 86 OK 15 92 - 17 - 3.0/5206=2, 3.5/5111=2, ~5119=1 HD3 LYS 39 - QD2 LEU 86 OK 15 90 - 16 - 3.0/5206=2, 3.5/5111=2, ~5119=1 HG2 ARG 84 - QD2 LEU 29 OK 14 86 - 16 - 1500/2.1=1 HG3 ARG 84 - QD2 LEU 29 OK 14 86 - 16 - 1500/2.1=1 HG3 ARG 70 - QD2 LEU 86 lone 8 93 - 8 - HG3 ARG 84 - QD2 LEU 86 lone 7 100 - 7 - HG2 ARG 84 - QD2 LEU 86 lone 7 100 - 7 - HG2 ARG 17 - QD2 LEU 86 lone 7 83 - 8 - HG3 ARG 17 - QD2 LEU 86 lone 7 81 - 8 - HD2 LYS 39 - QD2 LEU 29 lone 7 75 - 8 - 3.0/5206=1 HD3 LYS 39 - QD2 LEU 29 lone 6 74 - 8 - 3.0/5206=1 HG3 ARG 70 - QD2 LEU 29 lone 6 77 - 7 - HD2 LYS 73 - QD2 LEU 86 lone 5 96 - 6 - HD3 LYS 73 - QD2 LEU 86 lone 5 96 - 6 - HD2 LYS 73 - QD2 LEU 29 lone 5 80 - 7 - HD3 LYS 73 - QD2 LEU 29 lone 5 80 - 7 - HG2 ARG 71 - QD2 LEU 86 lone 4 81 - 5 - HG2 ARG 26 - QD2 LEU 86 lone 4 76 - 5 - HD2 LYS 32 - QD2 LEU 86 lone 4 96 - 4 - HD3 LYS 32 - QD2 LEU 86 lone 4 93 - 4 - HG3 ARG 54 - QD2 LEU 86 lone 4 78 - 5 - HG2 ARG 71 - QD2 LEU 29 lone 3 64 - 5 - 3.8/4163=1 HG2 ARG 26 - QD2 LEU 29 lone 3 60 - 6 - 3.7/4163=1 HD2 LYS 32 - QD2 LEU 29 lone 3 80 - 4 - HD3 LYS 32 - QD2 LEU 29 lone 3 77 - 4 - HG2 ARG 17 - QD2 LEU 29 lone 2 66 - 3 - HG3 ARG 17 - QD2 LEU 29 lone 2 64 - 3 - HG3 ARG 54 - QD2 LEU 29 lone 2 62 - 3 - Peak 3553 from cnoeabs.peaks (0.89, 0.83, 23.40 ppm; 2.40 A): 2 out of 12 assignments used, quality = 1.00: * QD1 LEU 86 + QD2 LEU 86 OK 100 100 - 100 - 2.1=100 QD1 LEU 29 + QD2 LEU 29 OK 84 84 - 100 - 2.1=100 QD1 LEU 29 - QD2 LEU 86 OK 31 99 - 31 - 3547=4, 2.1/1503=3...(12) QD1 LEU 86 - QD2 LEU 29 OK 28 87 - 33 - 1510=4, 6115/2.1=3...(13) QD1 LEU 62 - QD2 LEU 29 OK 20 77 - 27 - 6115/2.1=3, 1510=3...(11) QD1 LEU 62 - QD2 LEU 86 OK 15 93 - 17 - 1510=2, ~2598=1...(4) HG LEU 51 - QD2 LEU 86 OK 13 100 - 13 - 2.1/4520=2, ~2248=1...(4) HG LEU 51 - QD2 LEU 29 poor 10 86 - 11 - 2.1/4520=2, 6115/2.1=1 QG2 VAL 90 - QD2 LEU 29 lone 6 81 - 7 - QG1 VAL 90 - QD2 LEU 29 lone 6 80 - 7 - QG2 VAL 90 - QD2 LEU 86 lone 4 97 - 4 - QG1 VAL 90 - QD2 LEU 86 lone 4 96 - 4 - Peak 3554 from cnoeabs.peaks (0.83, 0.83, 23.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 86 + QD2 LEU 86 OK 100 100 - 100 QD2 LEU 29 + QD2 LEU 29 OK 80 80 - 100 Peak 3555 from cnoeabs.peaks (8.42, 4.32, 56.44 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 H ALA 20 - HA GLU 87 OK 21 60 - 35 - 4.6/3557=8, 4.6/3568=7...(11) H ILE 68 - HA GLU 87 OK 21 93 - 22 - ~2742=4, 3.9/3558=4...(7) H GLY 18 - HA GLU 87 lone 7 83 - 8 - 5900/3.6=1, 3561/3.0=1 Peak 3556 from cnoeabs.peaks (4.32, 4.32, 56.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HA GLU 87 OK 100 100 - 100 Peak 3557 from cnoeabs.peaks (2.03, 4.32, 56.44 ppm; 3.71 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 HB3 GLU 19 + HA GLU 87 OK 57 99 - 58 - 3562=11, 1.8/3568=8...(25) HB3 GLN 91 - HA GLU 87 OK 19 98 - 19 - 3562=4, 1.8/3568=3...(8) HB3 GLU 50 - HA GLU 87 OK 15 98 - 15 - 2190/4.0=2, 2190/4.0=2 HB2 GLU 50 - HA GLU 87 OK 15 98 - 15 - 2190/4.0=2, 2190/4.0=2 HB2 GLU 25 - HA GLU 87 lone 4 78 - 5 - HB3 GLU 25 - HA GLU 87 lone 4 76 - 5 - HB3 PRO 56 - HA GLU 87 lone 3 100 - 3 - HD2 ARG 69 - HA GLU 87 lone 3 100 - 3 - HD3 ARG 69 - HA GLU 87 lone 3 100 - 3 - HB3 MET 11 - HA GLU 87 lone 2 71 - 3 - HG2 PRO 56 - HA GLU 87 lone 2 99 - 2 - HB VAL 90 - HA GLU 87 lone 2 95 - 2 - HB VAL 76 - HA GLU 87 lone 1 95 - 1 - HG2 PRO 44 - HA GLU 87 lone 1 90 - 1 - HG2 ARG 66 - HA GLU 87 lone 1 81 - 1 - Peak 3558 from cnoeabs.peaks (1.91, 4.32, 56.44 ppm; 4.15 A): 2 out of 12 assignments used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 HB2 GLU 19 + HA GLU 87 OK 65 100 - 66 - 3568=11, 1.8/3557=11...(34) HB ILE 68 - HA GLU 87 OK 31 97 - 32 - 2749/3.0=7, ~2756=4...(9) HG13 ILE 68 - HA GLU 87 OK 27 90 - 30 - 2770/3.0=7, ~2763=4...(8) HB2 GLN 91 - HA GLU 87 OK 23 97 - 23 - 3568=4, 1.8/3562=4...(10) HG12 ILE 40 - HA GLU 87 lone 9 100 - 9 - ~5622=2, ~5616=2, 868/3.0=1 HB3 ARG 26 - HA GLU 87 lone 5 65 - 8 - 3.9/4030=1 HB2 ARG 26 - HA GLU 87 lone 5 63 - 8 - 3.9/4030=1 HB2 MET 11 - HA GLU 87 lone 3 76 - 4 - HB VAL 41 - HA GLU 87 lone 2 78 - 3 - HB3 PRO 14 - HA GLU 87 lone 2 81 - 2 - HB2 MET 31 - HA GLU 87 lone 1 63 - 2 - Peak 3559 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.40 A): 4 out of 5 assignments used, quality = 1.00: * HG2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 4.0=100 HG3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 4.0=100 HG2 GLU 19 + HA GLU 87 OK 60 90 - 67 - 3.0/3557=9, 3.0/3568=8...(40) HG3 GLU 19 + HA GLU 87 OK 60 90 - 67 - 3.0/3557=9, 3.0/3568=8...(40) HG3 GLU 50 - HA GLU 87 OK 14 99 - 15 - 3.0/3557=2, 3.0/3557=2...(6) Peak 3560 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.23 A): 4 out of 5 assignments used, quality = 1.00: * HG3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 4.0=100 HG2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 4.0=100 HG2 GLU 19 + HA GLU 87 OK 58 92 - 64 - 3.0/3557=9, 3.0/3568=8...(36) HG3 GLU 19 + HA GLU 87 OK 58 92 - 64 - 3.0/3557=9, 3.0/3568=8...(36) HG3 GLU 50 - HA GLU 87 OK 13 98 - 14 - 3.0/3557=2, 3.0/3557=2...(6) Peak 3561 from cnoeabs.peaks (8.42, 2.03, 30.25 ppm; 4.73 A): 3 out of 12 assignments used, quality = 1.00: * H GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 4.0=100 H GLU 87 + HB3 GLU 19 OK 51 89 - 58 - 867=11, 3.0/3557=10...(17) H ALA 20 + HB3 GLU 19 OK 48 48 - 100 - 4.6=100 H ALA 20 - HB2 GLU 87 OK 23 60 - 39 - 3.6/1209=7, 4.6/494=6...(12) H GLU 87 - HB3 GLN 91 OK 17 91 - 19 - 3.0/3562=3, 867=3...(7) H ILE 68 - HB2 GLU 87 OK 16 93 - 17 - 3555/3.0=4, 5900/4.6=3...(6) H GLY 18 - HB2 GLU 87 OK 10 83 - 13 - 4.6/494=6, 3555/3.0=1...(4) H ILE 68 - HB3 GLU 19 poor 10 79 - 12 - 5810/3.0=3, 3567/1.8=2...(5) H GLY 18 - HB3 GLU 19 poor 9 68 - 13 - 4822/3.0=3, 3567/1.8=2...(6) H ALA 20 - HB3 GLN 91 lone 3 49 - 6 - 3.6/1209=1, 4.6/494=1 H ILE 68 - HB3 GLN 91 lone 2 80 - 3 - H GLY 18 - HB3 GLN 91 lone 2 69 - 3 - 4.6/494=1 Peak 3562 from cnoeabs.peaks (4.32, 2.03, 30.25 ppm; 3.91 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 3.0=100 HA GLU 87 + HB3 GLU 19 OK 55 89 - 63 - 3557=12, 3568/1.8=9...(26) HA LEU 86 - HB2 GLU 87 OK 21 93 - 23 - 866/4.0=11, 3568/1.8=3...(6) HA GLU 87 - HB3 GLN 91 OK 19 91 - 21 - 3557=4, 3568/1.8=3...(8) HA LEU 86 - HB3 GLU 19 lone 7 79 - 9 - 3.6/867=5, 3568/1.8=1 HA PRO 34 - HB2 GLU 87 lone 5 100 - 5 - ~1714=1 HA ALA 16 - HB2 GLU 87 lone 4 99 - 4 - HA ALA 16 - HB3 GLU 19 lone 3 87 - 3 - HA PRO 34 - HB3 GLN 91 lone 2 91 - 3 - HA LEU 86 - HB3 GLN 91 lone 2 80 - 3 - 3.6/867=2 HA PRO 34 - HB3 GLU 19 lone 1 89 - 1 - HA ALA 16 - HB3 GLN 91 lone 1 89 - 1 - Peak 3563 from cnoeabs.peaks (2.03, 2.03, 30.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 87 + HB2 GLU 87 OK 100 100 - 100 HB3 GLU 19 + HB3 GLU 19 OK 87 87 - 100 HB3 GLN 91 + HB3 GLN 91 OK 86 86 - 100 Peak 3564 from cnoeabs.peaks (1.91, 2.03, 30.25 ppm; 2.40 A): 3 out of 36 assignments used, quality = 1.00: * HB3 GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 1.8=100 HB2 GLU 19 + HB3 GLU 19 OK 89 89 - 100 - 1.8=100 HB2 GLN 91 + HB3 GLN 91 OK 84 84 - 100 - 1.8=100 HB2 GLU 19 - HB2 GLU 87 OK 28 100 - 28 - 1215=3, 3568/3.0=2...(10) HB3 GLU 87 - HB3 GLU 19 OK 25 89 - 28 - 3670=3, 3.0/3557=3...(8) HB2 GLN 91 - HB2 GLU 87 lone 8 97 - 8 - 3670=1 HB3 GLU 87 - HB3 GLN 91 lone 8 91 - 9 - 3670=1, 3668/3.0=1 HB ILE 68 - HB2 GLU 87 lone 6 97 - 6 - 2749/4.0=2 HB2 GLU 19 - HB3 GLN 91 lone 6 90 - 7 - 889/3.6=1 HB2 GLN 91 - HB3 GLU 19 lone 5 83 - 6 - HG13 ILE 68 - HB2 GLU 87 lone 5 90 - 6 - 2770/4.0=2 HB ILE 68 - HB3 GLU 19 lone 4 83 - 5 - 2749/4.6=1 HG13 ILE 68 - HB3 GLU 19 lone 4 76 - 5 - 2770/4.6=1 HG12 ILE 40 - HB2 GLU 87 lone 2 100 - 2 - HG12 ILE 40 - HB3 GLU 19 lone 2 89 - 2 - HB VAL 41 - HB3 GLU 19 lone 2 64 - 2 - HB3 ARG 26 - HB3 GLN 91 lone 2 54 - 3 - HB2 ARG 26 - HB3 GLN 91 lone 1 51 - 3 - HB3 ARG 26 - HB2 GLU 87 lone 1 65 - 2 - HB2 ARG 26 - HB2 GLU 87 lone 1 63 - 2 - HB2 MET 11 - HB2 GLU 87 lone 1 76 - 1 - HB3 ARG 26 - HB3 GLU 19 lone 1 53 - 2 - HB ILE 68 - HB3 GLN 91 lone 1 84 - 1 - HB2 ARG 26 - HB3 GLU 19 lone 1 50 - 1 - HB VAL 41 - HB2 GLU 87 lone 1 78 - 1 - HB3 PRO 14 - HB3 GLN 91 lone 1 67 - 1 - HG13 ILE 68 - HB3 GLN 91 lone 1 77 - 1 - HG12 ILE 40 - HB3 GLN 91 lone 1 90 - 1 - HB3 PRO 14 - HB2 GLU 87 lone 1 81 - 1 - HB3 PRO 14 - HB3 GLU 19 lone 1 66 - 1 - HB2 MET 11 - HB3 GLN 91 lone 0 63 - 1 - HB2 MET 11 - HB3 GLU 19 lone 0 62 - 1 - HB2 MET 31 - HB2 GLU 87 lone 0 63 - 1 - HB2 MET 31 - HB3 GLU 19 lone 0 50 - 1 - HB VAL 41 - HB3 GLN 91 lone 0 65 - 0 - HB2 MET 31 - HB3 GLN 91 lone 0 51 - 0 - Peak 3565 from cnoeabs.peaks (2.21, 2.03, 30.25 ppm; 2.68 A): 4 out of 15 assignments used, quality = 0.99: HG3 GLU 87 + HB2 GLU 87 OK 76 100 - 76 - 3.0=73, 1.8/3575=3, 870/4.0=3 * HG2 GLU 87 + HB2 GLU 87 OK 76 100 - 76 - 3.0=73, 1.8/3575=3, 870/4.0=3 HG3 GLU 19 + HB3 GLU 19 OK 57 76 - 76 - 3.0=71, 1210/3.0=3...(7) HG2 GLU 19 + HB3 GLU 19 OK 57 76 - 76 - 3.0=71, 1210/3.0=3...(7) HG3 GLU 19 - HB2 GLU 87 OK 26 90 - 30 - 3.9/1209=2, 3560/3.0=2...(14) HG2 GLU 19 - HB2 GLU 87 OK 26 90 - 30 - 3.9/1209=2, 3560/3.0=2...(14) HG2 GLU 87 - HB3 GLU 19 OK 24 89 - 27 - 4.0/3557=3, 3575=2...(10) HG3 GLU 87 - HB3 GLU 19 OK 24 89 - 27 - 4.0/3557=3, 3575=2...(10) HG3 GLU 50 - HB2 GLU 87 lone 8 99 - 9 - 1.8/2199=1, ~2202=1, ~2207=1 HG2 GLU 87 - HB3 GLN 91 lone 7 91 - 8 - HG3 GLU 87 - HB3 GLN 91 lone 7 91 - 8 - HG2 GLU 19 - HB3 GLN 91 lone 5 77 - 6 - HG3 GLU 19 - HB3 GLN 91 lone 5 77 - 6 - HG3 GLU 50 - HB3 GLU 19 lone 3 86 - 4 - HG3 GLU 50 - HB3 GLN 91 lone 1 87 - 1 - Peak 3566 from cnoeabs.peaks (2.21, 2.03, 30.25 ppm; 2.66 A): 4 out of 15 assignments used, quality = 0.99: * HG3 GLU 87 + HB2 GLU 87 OK 74 100 - 74 - 3.0=71, 1.8/3575=3, 870/4.0=3 HG2 GLU 87 + HB2 GLU 87 OK 74 100 - 74 - 3.0=71, 1.8/3575=3, 870/4.0=3 HG3 GLU 19 + HB3 GLU 19 OK 57 77 - 74 - 3.0=69, 1211/3.0=3...(7) HG2 GLU 19 + HB3 GLU 19 OK 57 77 - 74 - 3.0=69, 1211/3.0=3...(7) HG3 GLU 19 - HB2 GLU 87 OK 26 92 - 29 - 3.9/1209=2, 3560/3.0=2...(13) HG2 GLU 19 - HB2 GLU 87 OK 26 92 - 29 - 3.9/1209=2, 3560/3.0=2...(13) HG2 GLU 87 - HB3 GLU 19 OK 24 89 - 27 - 4.0/3557=2, 3575=2...(10) HG3 GLU 87 - HB3 GLU 19 OK 24 89 - 27 - 4.0/3557=2, 3575=2...(10) HG3 GLU 50 - HB2 GLU 87 lone 8 98 - 8 - 1.8/2199=1, ~2202=1, ~2207=1 HG2 GLU 87 - HB3 GLN 91 lone 7 91 - 8 - HG3 GLU 87 - HB3 GLN 91 lone 7 91 - 8 - HG2 GLU 19 - HB3 GLN 91 lone 5 79 - 6 - HG3 GLU 19 - HB3 GLN 91 lone 5 79 - 6 - HG3 GLU 50 - HB3 GLU 19 lone 3 85 - 4 - HG3 GLU 50 - HB3 GLN 91 lone 1 86 - 1 - Peak 3567 from cnoeabs.peaks (8.42, 1.91, 30.25 ppm; 4.55 A): 3 out of 20 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 4.0=100 H GLU 87 + HB2 GLU 19 OK 50 92 - 55 - 867/1.8=9, 868=9...(16) H ALA 20 + HB2 GLU 19 OK 49 50 - 99 - 4.6=97, 4.6/493=15...(16) H ALA 20 - HB3 GLU 87 OK 22 60 - 38 - 3.6/1208=7, 4.6/493=6...(12) H ILE 68 - HB3 GLU 87 OK 17 93 - 18 - 3555/3.0=4, 5900/4.6=2...(7) H GLY 18 - HB2 GLU 19 OK 17 70 - 24 - 4.6/493=15, 4822/3.0=3...(5) H GLU 87 - HB2 GLN 91 OK 14 89 - 16 - 3.0/3558=3, 867/1.8=3...(6) H ILE 68 - HB2 GLU 19 OK 12 81 - 15 - 5810/3.0=3, 4.6/4745=1...(5) H GLY 18 - HB3 GLU 87 OK 10 83 - 12 - 4.6/493=6, 3561/1.8=1...(4) H GLU 87 - HB3 ARG 26 lone 4 48 - 9 - 5899/3.9=2, 396/3.0=1 H GLU 87 - HB2 ARG 26 lone 4 46 - 9 - 5899/3.9=2, 396/3.0=1 H ILE 68 - HB3 ARG 26 poor 4 41 - 10 - 4.6/278=1 H ILE 68 - HB2 ARG 26 lone 4 39 - 10 - 4.6/278=1 H ALA 20 - HB2 GLN 91 lone 3 47 - 6 - 3.6/1208=1, 4.6/493=1 H ILE 68 - HB2 GLN 91 lone 3 78 - 4 - H GLY 18 - HB2 GLN 91 lone 2 67 - 3 - 4.6/493=1 H GLY 18 - HB3 ARG 26 lone 2 34 - 6 - 4827/3.0=1 H GLY 18 - HB2 ARG 26 lone 1 33 - 5 - 4827/3.0=1 H ALA 20 - HB3 ARG 26 lone 1 23 - 3 - H ALA 20 - HB2 ARG 26 lone 0 22 - 2 - Peak 3568 from cnoeabs.peaks (4.32, 1.91, 30.25 ppm; 3.73 A): 2 out of 20 assignments used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 HA GLU 87 + HB2 GLU 19 OK 52 92 - 58 - 3557/1.8=9, 3558=9...(26) HA LEU 86 - HB3 GLU 87 OK 20 93 - 21 - 866/4.0=10, 3562/1.8=3...(6) HA GLU 87 - HB2 GLN 91 OK 17 89 - 19 - 3557/1.8=3, 3558=3...(9) HA PRO 34 - HB3 ARG 26 poor 8 48 - 16 - 1702/1.8=3, 1702=1...(4) HA PRO 34 - HB2 ARG 26 poor 7 46 - 16 - 1702/1.8=3, 1702=1...(4) HA LEU 86 - HB2 GLU 19 lone 6 81 - 8 - 3.6/868=4, 3562/1.8=1 HA PRO 34 - HB3 GLU 87 lone 4 100 - 4 - HA ALA 16 - HB3 GLU 87 lone 3 99 - 3 - HA GLU 87 - HB3 ARG 26 lone 3 48 - 7 - 4030/3.9=1 HA GLU 87 - HB2 ARG 26 lone 3 46 - 7 - 4030/3.9=1 HA ALA 16 - HB2 GLU 19 lone 3 90 - 3 - HA PRO 34 - HB2 GLN 91 lone 3 89 - 3 - HA LEU 86 - HB2 GLN 91 lone 2 78 - 2 - 3.6/868=1 HA LEU 86 - HB3 ARG 26 lone 2 41 - 4 - HA LEU 86 - HB2 ARG 26 lone 2 39 - 4 - HA PRO 34 - HB2 GLU 19 lone 1 92 - 1 - HA ALA 16 - HB2 GLN 91 lone 1 87 - 1 - HA ALA 16 - HB3 ARG 26 lone 0 47 - 1 - HA ALA 16 - HB2 ARG 26 lone 0 45 - 1 - Peak 3569 from cnoeabs.peaks (2.03, 1.91, 30.25 ppm; 2.40 A): 3 out of 80 assignments used, quality = 1.00: * HB2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 1.8=100 HB3 GLU 19 + HB2 GLU 19 OK 89 89 - 100 - 1.8=100 HB3 GLN 91 + HB2 GLN 91 OK 84 84 - 100 - 1.8=100 HB3 GLU 19 - HB3 GLU 87 OK 29 99 - 29 - 1220=4, 3557/3.0=3...(10) HB2 GLU 87 - HB2 GLU 19 OK 26 92 - 28 - 3564=4, 3.0/3568=2...(11) HB3 GLU 50 - HB3 GLU 87 lone 9 98 - 9 - 2196/3.0=1, 2196/3.0=1 HB2 GLU 50 - HB3 GLU 87 lone 9 98 - 9 - 2196/3.0=1, 2196/3.0=1 HB3 GLN 91 - HB3 GLU 87 lone 9 98 - 9 - 3677=1, 3.0/3661=1 HB2 GLU 87 - HB2 GLN 91 lone 7 89 - 8 - 3677=1 HB3 GLN 91 - HB2 GLU 19 lone 6 87 - 7 - 3.6/889=1 HB3 GLU 19 - HB2 GLN 91 lone 5 86 - 6 - HB2 GLU 25 - HB3 ARG 26 poor 5 32 - 16 - 56/3.9=2, ~5926=2...(4) HB3 GLU 25 - HB3 ARG 26 poor 5 30 - 16 - 56/3.9=2, ~5926=2...(4) HB2 GLU 25 - HB2 ARG 26 poor 5 30 - 16 - 56/3.9=2, ~5926=2...(4) HG2 ARG 66 - HB3 ARG 26 poor 5 33 - 14 - ~2708=1 HB3 GLU 25 - HB2 ARG 26 poor 5 29 - 16 - 56/3.9=2, ~5926=2...(4) HG2 ARG 66 - HB2 ARG 26 poor 4 31 - 14 - ~2708=1 HB3 GLU 50 - HB2 GLU 19 lone 4 87 - 4 - HB2 GLU 50 - HB2 GLU 19 lone 4 87 - 4 - HB2 GLU 25 - HB2 GLU 19 lone 2 66 - 4 - HB3 GLU 25 - HB2 GLU 19 lone 2 64 - 4 - HD2 ARG 69 - HB2 GLU 19 lone 2 92 - 2 - HD3 ARG 69 - HB2 GLU 19 lone 2 92 - 2 - HB VAL 90 - HB2 GLN 91 lone 1 80 - 2 - HB3 GLN 91 - HB3 ARG 26 lone 1 45 - 3 - HD3 ARG 69 - HB3 GLU 87 lone 1 100 - 1 - HD2 ARG 69 - HB3 GLU 87 lone 1 100 - 1 - HB3 GLN 91 - HB2 ARG 26 lone 1 43 - 3 - HB VAL 90 - HB2 GLU 19 lone 1 83 - 1 - HB2 GLU 25 - HB3 GLU 87 lone 1 78 - 1 - HB3 MET 11 - HB3 GLU 87 lone 1 71 - 2 - HB VAL 90 - HB3 GLU 87 lone 1 95 - 1 - HB3 GLU 25 - HB3 GLU 87 lone 1 76 - 1 - HB2 GLU 25 - HB2 GLN 91 lone 1 63 - 2 - HB3 PRO 56 - HB3 GLU 87 lone 1 100 - 1 - HB3 GLU 25 - HB2 GLN 91 lone 1 61 - 2 - HB2 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HB2 GLU 87 - HB2 ARG 26 lone 1 46 - 2 - HG2 PRO 56 - HB3 GLU 87 lone 1 99 - 1 - HB3 GLU 19 - HB3 ARG 26 lone 1 46 - 2 - HB VAL 76 - HB2 GLU 19 lone 1 83 - 1 - HB3 PRO 56 - HB2 GLU 19 lone 1 92 - 1 - HB VAL 90 - HB3 ARG 26 lone 1 42 - 2 - HB3 GLU 19 - HB2 ARG 26 lone 1 44 - 1 - HB VAL 90 - HB2 ARG 26 lone 1 40 - 2 - HB3 GLU 50 - HB2 GLN 91 lone 1 84 - 1 - HB2 GLU 50 - HB2 GLN 91 lone 1 84 - 1 - HB VAL 76 - HB3 GLU 87 lone 1 95 - 1 - HB VAL 76 - HB2 GLN 91 lone 1 80 - 1 - HD2 ARG 69 - HB2 GLN 91 lone 1 88 - 1 - HD3 ARG 69 - HB2 GLN 91 lone 1 88 - 1 - HG2 PRO 56 - HB2 GLU 19 lone 1 90 - 1 - HG2 PRO 44 - HB3 GLU 87 lone 0 90 - 1 - HB3 PRO 56 - HB2 GLN 91 lone 0 89 - 1 - HB3 MET 11 - HB2 GLN 91 lone 1 56 - 1 - HG2 PRO 44 - HB2 GLU 19 lone 0 78 - 1 - HB3 MET 11 - HB3 ARG 26 lone 1 28 - 2 - HB3 MET 11 - HB2 ARG 26 lone 0 27 - 2 - HG2 PRO 56 - HB2 GLN 91 lone 0 87 - 0 - HG2 ARG 66 - HB3 GLU 87 lone 0 81 - 0 - HB2 GLU 50 - HB3 ARG 26 lone 0 45 - 1 - HB3 GLU 50 - HB3 ARG 26 lone 0 45 - 1 - HG2 ARG 66 - HB2 GLN 91 lone 0 65 - 1 - HB3 GLU 50 - HB2 ARG 26 lone 0 43 - 1 - HB2 GLU 50 - HB2 ARG 26 lone 0 43 - 1 - HG2 PRO 44 - HB2 GLN 91 lone 0 75 - 0 - HG2 ARG 66 - HB2 GLU 19 lone 0 68 - 0 - HB3 PRO 56 - HB3 ARG 26 lone 0 48 - 1 - HB3 MET 11 - HB2 GLU 19 lone 0 59 - 0 - HB3 PRO 56 - HB2 ARG 26 lone 0 46 - 1 - HG2 PRO 56 - HB3 ARG 26 lone 0 47 - 1 - HG2 PRO 56 - HB2 ARG 26 lone 0 45 - 1 - HB VAL 76 - HB3 ARG 26 lone 0 42 - 1 - HB VAL 76 - HB2 ARG 26 lone 0 40 - 1 - HD3 ARG 69 - HB3 ARG 26 lone 0 48 - 0 - HD2 ARG 69 - HB3 ARG 26 lone 0 48 - 0 - HD2 ARG 69 - HB2 ARG 26 lone 0 46 - 0 - HD3 ARG 69 - HB2 ARG 26 lone 0 46 - 0 - HG2 PRO 44 - HB3 ARG 26 lone 0 39 - 0 - HG2 PRO 44 - HB2 ARG 26 lone 0 37 - 0 - Peak 3570 from cnoeabs.peaks (1.91, 1.91, 30.25 ppm; diagonal): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 HB2 GLU 19 + HB2 GLU 19 OK 91 91 - 100 HB2 GLN 91 + HB2 GLN 91 OK 82 82 - 100 HB3 ARG 26 - HB3 ARG 26 OK 25 25 - 100 HB2 ARG 26 - HB2 ARG 26 OK 23 23 - 100 Peak 3571 from cnoeabs.peaks (2.21, 1.91, 30.25 ppm; 3.11 A): 4 out of 25 assignments used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 HG3 GLU 19 + HB2 GLU 19 OK 78 78 - 100 - 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 78 78 - 100 - 3.0=100 HG3 GLU 19 - HB3 GLU 87 OK 37 90 - 41 - 3.9/1208=3, 3560/3.0=3...(21) HG2 GLU 19 - HB3 GLU 87 OK 37 90 - 41 - 3.9/1208=3, 3560/3.0=3...(21) HG2 GLU 87 - HB2 GLU 19 OK 34 92 - 38 - 4.0/3568=3, 3566/1.8=2...(20) HG3 GLU 87 - HB2 GLU 19 OK 34 92 - 38 - 4.0/3568=3, 3566/1.8=2...(20) HG3 GLU 50 - HB3 GLU 87 OK 11 99 - 12 - ~2202=2, ~2207=2...(4) HG2 GLU 87 - HB2 GLN 91 OK 10 89 - 12 - 4.0/3558=1 HG3 GLU 87 - HB2 GLN 91 OK 10 88 - 12 - 4.0/3558=1 HG2 GLU 19 - HB2 GLN 91 lone 7 75 - 9 - HG3 GLU 19 - HB2 GLN 91 lone 7 75 - 9 - HG3 GLU 50 - HB2 GLU 19 lone 5 88 - 6 - HG2 GLU 87 - HB2 ARG 26 lone 1 46 - 2 - HG3 GLU 87 - HB2 ARG 26 lone 1 46 - 2 - HG2 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG3 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG2 GLU 19 - HB3 ARG 26 lone 1 39 - 2 - HG3 GLU 19 - HB3 ARG 26 lone 1 39 - 2 - HG3 GLU 50 - HB2 GLN 91 lone 1 85 - 1 - HG3 GLU 19 - HB2 ARG 26 lone 1 37 - 2 - HG2 GLU 19 - HB2 ARG 26 lone 1 37 - 2 - HG3 GLU 50 - HB3 ARG 26 lone 0 46 - 1 - HG3 GLU 50 - HB2 ARG 26 lone 0 44 - 1 - Peak 3572 from cnoeabs.peaks (2.21, 1.91, 30.25 ppm; 3.14 A): 4 out of 25 assignments used, quality = 1.00: * HG3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 HG3 GLU 19 + HB2 GLU 19 OK 80 80 - 100 - 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 80 80 - 100 - 3.0=100 HG3 GLU 19 - HB3 GLU 87 OK 38 92 - 42 - 3.9/1208=3, 3560/3.0=3...(21) HG2 GLU 19 - HB3 GLU 87 OK 38 92 - 42 - 3.9/1208=3, 3560/3.0=3...(21) HG2 GLU 87 - HB2 GLU 19 OK 35 92 - 39 - 4.0/3568=3, 3566/1.8=2...(20) HG3 GLU 87 - HB2 GLU 19 OK 35 92 - 38 - 4.0/3568=3, 3566/1.8=2...(20) HG3 GLU 50 - HB3 GLU 87 OK 12 98 - 12 - ~2202=2, ~2207=2...(4) HG2 GLU 87 - HB2 GLN 91 OK 11 88 - 12 - 4.0/3558=1 HG3 GLU 87 - HB2 GLN 91 OK 11 89 - 12 - 4.0/3558=1 HG2 GLU 19 - HB2 GLN 91 lone 7 77 - 10 - HG3 GLU 19 - HB2 GLN 91 lone 7 77 - 10 - HG3 GLU 50 - HB2 GLU 19 lone 5 87 - 6 - HG3 GLU 87 - HB2 ARG 26 lone 1 46 - 2 - HG3 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG2 GLU 87 - HB2 ARG 26 lone 1 46 - 2 - HG2 GLU 87 - HB3 ARG 26 lone 1 48 - 2 - HG3 GLU 19 - HB3 ARG 26 lone 1 40 - 2 - HG2 GLU 19 - HB3 ARG 26 lone 1 40 - 2 - HG3 GLU 50 - HB2 GLN 91 lone 1 84 - 1 - HG3 GLU 19 - HB2 ARG 26 lone 1 38 - 2 - HG2 GLU 19 - HB2 ARG 26 lone 1 38 - 2 - HG3 GLU 50 - HB3 ARG 26 lone 0 45 - 1 - HG3 GLU 50 - HB2 ARG 26 lone 0 43 - 1 - Peak 3575 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 6 out of 80 assignments used, quality = 1.00: HB2 GLU 87 + HG3 GLU 87 OK 70 100 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 * HB2 GLU 87 + HG2 GLU 87 OK 70 100 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB3 GLU 50 + HG3 GLU 50 OK 69 96 - 72 - 3.0=66, 1.8/2196=7...(6) HB2 GLU 50 + HG3 GLU 50 OK 69 96 - 72 - 3.0=66, 1.8/2196=7...(6) HB3 GLU 19 + HG3 GLU 19 OK 62 88 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 + HG2 GLU 19 OK 62 88 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 - HG2 GLU 87 OK 27 99 - 27 - 3566=3, 3557/4.0=2...(10) HB3 GLU 19 - HG3 GLU 87 OK 27 99 - 27 - 3566=3, 3557/4.0=2...(10) HB2 GLU 87 - HG3 GLU 19 OK 25 90 - 29 - 3566=3, 3566/1.8=2...(10) HB2 GLU 87 - HG2 GLU 19 OK 25 90 - 29 - 3566=3, 3566/1.8=2...(10) HB2 GLU 50 - HG2 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2190=2...(9) HB3 GLU 50 - HG2 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2196=2...(9) HB2 GLU 50 - HG3 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2196=2...(11) HB3 GLU 50 - HG3 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2196=2...(11) HB3 GLN 91 - HG2 GLU 87 lone 8 98 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 8 98 - 8 - HB2 GLU 50 - HG2 GLU 19 lone 8 86 - 9 - HB3 GLU 50 - HG2 GLU 19 lone 8 86 - 9 - HB3 GLU 50 - HG3 GLU 19 lone 8 86 - 9 - HB2 GLU 50 - HG3 GLU 19 lone 8 86 - 9 - HB2 GLU 87 - HG3 GLU 50 lone 7 99 - 8 - 2199/1.8=1, ~2202=1 HB3 GLN 91 - HG3 GLU 19 lone 5 86 - 5 - HB3 GLN 91 - HG2 GLU 19 lone 5 86 - 5 - HD3 ARG 69 - HG3 GLU 50 lone 5 99 - 5 - HD2 ARG 69 - HG3 GLU 50 lone 5 99 - 5 - HB3 MET 11 - HG3 GLU 50 lone 4 68 - 5 - ~4511=1 HB3 GLU 19 - HG3 GLU 50 lone 3 97 - 4 - HB2 GLU 25 - HG2 GLU 19 lone 3 65 - 5 - HB2 GLU 25 - HG3 GLU 19 lone 3 65 - 5 - HB3 GLU 25 - HG3 GLU 19 lone 3 63 - 5 - HB3 GLU 25 - HG2 GLU 19 lone 3 63 - 5 - HG2 PRO 44 - HG3 GLU 50 lone 2 87 - 3 - HB2 GLU 25 - HG3 GLU 50 lone 2 75 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 2 72 - 3 - HB VAL 76 - HG3 GLU 50 lone 2 91 - 2 - HB3 MET 11 - HG2 GLU 87 lone 1 71 - 2 - HB3 MET 11 - HG3 GLU 87 lone 1 71 - 2 - HD3 ARG 69 - HG3 GLU 19 lone 1 90 - 1 - HD2 ARG 69 - HG2 GLU 19 lone 1 90 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 90 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 90 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 100 - 1 - HD3 ARG 69 - HG3 GLU 87 lone 1 100 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 100 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 100 - 1 - HB2 GLU 25 - HG2 GLU 87 lone 1 78 - 1 - HB2 GLU 25 - HG3 GLU 87 lone 1 78 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 99 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 76 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 76 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 97 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 100 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 100 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 99 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 99 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 1 96 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 95 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 94 - 1 - HB VAL 76 - HG2 GLU 19 lone 1 81 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 81 - 1 - HB VAL 90 - HG2 GLU 87 lone 1 95 - 1 - HB VAL 90 - HG3 GLU 87 lone 1 94 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 1 90 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 1 90 - 1 - HB VAL 90 - HG3 GLU 19 lone 1 81 - 1 - HB VAL 90 - HG2 GLU 19 lone 1 81 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 1 90 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 1 90 - 1 - HB VAL 90 - HG3 GLU 50 lone 1 91 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 89 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 89 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 77 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 77 - 1 - HG2 ARG 66 - HG2 GLU 87 lone 0 81 - 0 - HG2 ARG 66 - HG3 GLU 87 lone 0 81 - 0 - HG2 ARG 66 - HG3 GLU 50 lone 0 77 - 0 - HB3 MET 11 - HG2 GLU 19 lone 0 58 - 1 - HB3 MET 11 - HG3 GLU 19 lone 0 58 - 1 - HG2 ARG 66 - HG2 GLU 19 lone 0 67 - 0 - HG2 ARG 66 - HG3 GLU 19 lone 0 67 - 0 - Peak 3576 from cnoeabs.peaks (1.91, 2.21, 36.01 ppm; 3.72 A): 8 out of 60 assignments used, quality = 1.00: * HB3 GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 3.0=100 HB2 GLU 19 + HG3 GLU 19 OK 90 90 - 100 - 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 90 90 - 100 - 3.0=100 HB2 GLU 19 + HG2 GLU 87 OK 51 100 - 51 - 3568/4.0=5, 3.0/1210=4...(32) HB2 GLU 19 + HG3 GLU 87 OK 51 100 - 51 - 3568/4.0=5, 3.0/1211=4...(32) HB3 GLU 87 + HG2 GLU 19 OK 50 90 - 55 - 1208/3.9=4, 3.0/3560=4...(32) HB3 GLU 87 + HG3 GLU 19 OK 50 90 - 55 - 1208/3.9=4, 3.0/3560=4...(32) HB3 GLU 87 - HG3 GLU 50 OK 17 99 - 17 - ~2202=3, ~2207=2...(5) HB2 GLN 91 - HG2 GLU 87 OK 17 97 - 17 - 3558/4.0=2, ~3661=1...(5) HB2 GLN 91 - HG3 GLU 87 OK 17 97 - 17 - 3558/4.0=2, ~3661=1...(5) HB2 GLN 91 - HG2 GLU 19 OK 11 84 - 14 - ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 19 OK 11 84 - 14 - ~3661=1, ~3662=1 HB ILE 68 - HG3 GLU 87 OK 11 97 - 11 - 2749/4.8=4, 3558/4.0=2 HB ILE 68 - HG2 GLU 87 OK 11 97 - 11 - 2749/4.8=4, 3558/4.0=2 HB2 MET 11 - HG3 GLU 50 poor 10 72 - 13 - ~4511=4, ~6110=2, ~972=2...(5) HG13 ILE 68 - HG3 GLU 87 lone 9 90 - 10 - 2770/4.8=3, 3558/4.0=2 HG13 ILE 68 - HG2 GLU 87 lone 9 90 - 10 - 2770/4.8=3, 3558/4.0=2 HB2 GLU 19 - HG3 GLU 50 lone 9 99 - 9 - HB2 MET 31 - HG3 GLU 50 poor 8 60 - 13 - 3.0/4512=2, 4203/3.7=1...(7) HB ILE 68 - HG3 GLU 19 lone 6 84 - 7 - 1208/3.9=1 HB ILE 68 - HG2 GLU 19 lone 6 84 - 7 - 1208/3.9=1 HG13 ILE 68 - HG3 GLU 19 lone 5 77 - 7 - 1208/3.9=1 HG13 ILE 68 - HG2 GLU 19 lone 5 77 - 7 - 1208/3.9=1 HB VAL 41 - HG3 GLU 50 lone 4 75 - 5 - 3821/4.9=2, 4.4/2203=1 HG12 ILE 40 - HG3 GLU 87 lone 3 100 - 3 - HG12 ILE 40 - HG2 GLU 87 lone 3 100 - 3 - HB2 MET 11 - HG2 GLU 87 lone 3 76 - 4 - HB2 MET 11 - HG3 GLU 87 lone 3 76 - 4 - HG12 ILE 40 - HG3 GLU 19 lone 3 90 - 3 - HG12 ILE 40 - HG2 GLU 19 lone 3 90 - 3 - HB VAL 41 - HG2 GLU 19 lone 3 65 - 4 - HB VAL 41 - HG3 GLU 19 lone 3 65 - 4 - HB2 ARG 26 - HG2 GLU 87 lone 2 63 - 3 - HB2 ARG 26 - HG3 GLU 87 lone 2 63 - 3 - HB3 ARG 26 - HG2 GLU 87 lone 2 65 - 3 - HB3 ARG 26 - HG3 GLU 87 lone 2 65 - 3 - HB VAL 41 - HG2 GLU 87 lone 2 78 - 2 - HB VAL 41 - HG3 GLU 87 lone 2 78 - 2 - HB3 ARG 26 - HG3 GLU 19 lone 2 53 - 3 - HB3 ARG 26 - HG2 GLU 19 lone 2 53 - 3 - HG12 ILE 40 - HG3 GLU 50 lone 2 98 - 2 - HB2 ARG 26 - HG2 GLU 19 lone 2 51 - 3 - HB2 ARG 26 - HG3 GLU 19 lone 2 51 - 3 - HB2 MET 31 - HG2 GLU 87 lone 1 63 - 2 - HB2 MET 31 - HG3 GLU 87 lone 1 63 - 2 - HB2 GLN 91 - HG3 GLU 50 lone 1 94 - 1 - HB3 PRO 14 - HG3 GLU 87 lone 1 81 - 1 - HB3 PRO 14 - HG2 GLU 87 lone 1 81 - 1 - HB3 PRO 14 - HG2 GLU 19 lone 1 67 - 2 - HB3 PRO 14 - HG3 GLU 19 lone 1 67 - 2 - HB2 MET 11 - HG3 GLU 19 lone 1 63 - 2 - HB2 MET 11 - HG2 GLU 19 lone 1 63 - 2 - HG13 ILE 68 - HG3 GLU 50 lone 1 87 - 1 - HB3 ARG 26 - HG3 GLU 50 lone 1 62 - 2 - HB ILE 68 - HG3 GLU 50 lone 1 94 - 1 - HB2 MET 31 - HG2 GLU 19 lone 1 51 - 2 - HB2 MET 31 - HG3 GLU 19 lone 1 51 - 2 - HB2 ARG 26 - HG3 GLU 50 lone 1 60 - 2 - HB3 PRO 14 - HG3 GLU 50 lone 1 77 - 1 - Peak 3577 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG3 GLU 50 + HG3 GLU 50 OK 96 96 - 100 HG2 GLU 19 + HG2 GLU 19 OK 77 77 - 100 HG3 GLU 19 + HG3 GLU 19 OK 77 77 - 100 Peak 3578 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG3 GLU 50 + HG3 GLU 50 OK 96 96 - 100 HG2 GLU 19 + HG2 GLU 19 OK 78 78 - 100 HG3 GLU 19 + HG3 GLU 19 OK 78 78 - 100 Reference assignment not found: HG3 GLU 87 - HG2 GLU 87 Peak 3579 from cnoeabs.peaks (8.42, 2.21, 36.01 ppm; 5.28 A): 4 out of 20 assignments used, quality = 1.00: * H GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 4.8=100 H GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 4.8=100 H GLU 87 + HG2 GLU 19 OK 59 92 - 65 - 867/3.0=9, 870=9...(17) H GLU 87 + HG3 GLU 19 OK 59 92 - 65 - 867/3.0=9, 870=9...(17) H ALA 20 - HG2 GLU 19 OK 28 50 - 56 - 3.6/1210=11, 29/3.0=11...(14) H ALA 20 - HG3 GLU 19 OK 28 50 - 56 - 3.6/1210=11, 29/3.0=11...(14) H ALA 20 - HG3 GLU 87 OK 24 60 - 41 - 3.6/1210=6, 31=5...(16) H ALA 20 - HG2 GLU 87 OK 24 60 - 41 - 3.6/1210=6, 31=5...(16) H GLY 18 - HG3 GLU 19 OK 15 71 - 21 - 4.6/496=9, 4822/3.9=3...(5) H GLY 18 - HG2 GLU 19 OK 15 71 - 21 - 4.6/496=9, 4822/3.9=3...(5) H GLU 87 - HG3 GLU 50 OK 13 98 - 13 - 867/3.0=2, 867/3.0=2...(5) H ILE 68 - HG3 GLU 87 OK 13 93 - 14 - 3555/4.0=4, 3567/3.0=2...(5) H ILE 68 - HG2 GLU 87 OK 13 93 - 14 - 3555/4.0=4, 3567/3.0=2...(5) H GLY 18 - HG3 GLU 87 poor 9 83 - 11 - 4.6/496=5, 3555/4.0=1...(4) H ILE 68 - HG2 GLU 19 poor 9 82 - 11 - 5810/3.9=3, 3567/3.0=2 H ILE 68 - HG3 GLU 19 poor 9 82 - 11 - 5810/3.9=3, 3567/3.0=2 H GLY 18 - HG2 GLU 87 poor 9 83 - 11 - 4.6/496=5, 3555/4.0=1...(4) H ALA 20 - HG3 GLU 50 lone 5 56 - 9 - ~4938=2, 29/3.0=1...(4) H ILE 68 - HG3 GLU 50 lone 3 89 - 3 - 5809/3.7=1 H GLY 18 - HG3 GLU 50 lone 2 78 - 3 - Peak 3581 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 6 out of 80 assignments used, quality = 1.00: * HB2 GLU 87 + HG3 GLU 87 OK 70 100 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB2 GLU 87 + HG2 GLU 87 OK 70 100 - 70 - 3.0=66, 3566/1.8=6, 4.0/870=2 HB3 GLU 50 + HG3 GLU 50 OK 68 95 - 72 - 3.0=66, 1.8/2190=7...(6) HB2 GLU 50 + HG3 GLU 50 OK 68 95 - 72 - 3.0=66, 1.8/2190=7...(6) HB3 GLU 19 + HG3 GLU 19 OK 64 89 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 + HG2 GLU 19 OK 64 89 - 71 - 3.0=64, 1222/1.8=6...(7) HB3 GLU 19 - HG2 GLU 87 OK 27 99 - 27 - 3566=3, 3557/4.0=2...(10) HB3 GLU 19 - HG3 GLU 87 OK 27 99 - 27 - 3566=3, 3557/4.0=2...(10) HB2 GLU 87 - HG3 GLU 19 OK 26 92 - 29 - 3566=3, 3566/1.8=2...(10) HB2 GLU 87 - HG2 GLU 19 OK 26 92 - 29 - 3566=3, 3566/1.8=2...(10) HB2 GLU 50 - HG2 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2190=2...(9) HB3 GLU 50 - HG2 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2196=2...(9) HB2 GLU 50 - HG3 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2196=2...(11) HB3 GLU 50 - HG3 GLU 87 OK 20 98 - 21 - 3.0/2202=2, 2190=2...(11) HB3 GLN 91 - HG2 GLU 87 lone 8 98 - 8 - HB3 GLN 91 - HG3 GLU 87 lone 8 98 - 8 - HB2 GLU 50 - HG2 GLU 19 lone 8 88 - 9 - HB3 GLU 50 - HG2 GLU 19 lone 8 88 - 9 - HB3 GLU 50 - HG3 GLU 19 lone 8 88 - 9 - HB2 GLU 50 - HG3 GLU 19 lone 8 88 - 9 - HB2 GLU 87 - HG3 GLU 50 lone 7 98 - 8 - 2200/1.8=1, ~2202=1 HB3 GLN 91 - HG3 GLU 19 lone 5 88 - 5 - HB3 GLN 91 - HG2 GLU 19 lone 5 88 - 5 - HD2 ARG 69 - HG3 GLU 50 lone 5 98 - 5 - HD3 ARG 69 - HG3 GLU 50 lone 5 98 - 5 - HB3 MET 11 - HG3 GLU 50 lone 4 67 - 5 - ~4511=1 HB3 GLU 19 - HG3 GLU 50 lone 3 96 - 4 - HB2 GLU 25 - HG3 GLU 19 lone 3 66 - 5 - HB2 GLU 25 - HG2 GLU 19 lone 3 66 - 5 - HB3 GLU 25 - HG3 GLU 19 lone 3 64 - 5 - HB3 GLU 25 - HG2 GLU 19 lone 3 64 - 5 - HG2 PRO 44 - HG3 GLU 50 lone 2 86 - 3 - HB2 GLU 25 - HG3 GLU 50 lone 2 74 - 3 - HB3 GLU 25 - HG3 GLU 50 lone 2 72 - 3 - HB VAL 76 - HG3 GLU 50 lone 2 91 - 2 - HD2 ARG 69 - HG2 GLU 19 lone 1 92 - 1 - HD2 ARG 69 - HG3 GLU 19 lone 1 92 - 1 - HD3 ARG 69 - HG3 GLU 19 lone 1 92 - 1 - HD3 ARG 69 - HG2 GLU 19 lone 1 92 - 1 - HB3 MET 11 - HG2 GLU 87 lone 1 71 - 2 - HB3 MET 11 - HG3 GLU 87 lone 1 71 - 2 - HD3 ARG 69 - HG3 GLU 87 lone 1 100 - 1 - HD2 ARG 69 - HG3 GLU 87 lone 1 100 - 1 - HD3 ARG 69 - HG2 GLU 87 lone 1 100 - 1 - HD2 ARG 69 - HG2 GLU 87 lone 1 100 - 1 - HB2 GLU 25 - HG3 GLU 87 lone 1 78 - 1 - HB2 GLU 25 - HG2 GLU 87 lone 1 78 - 1 - HB3 GLU 25 - HG3 GLU 87 lone 1 76 - 1 - HB3 GLU 25 - HG2 GLU 87 lone 1 76 - 1 - HB3 PRO 56 - HG3 GLU 50 lone 1 98 - 1 - HG2 PRO 56 - HG3 GLU 50 lone 1 97 - 1 - HB3 PRO 56 - HG3 GLU 87 lone 1 100 - 1 - HB3 PRO 56 - HG2 GLU 87 lone 1 100 - 1 - HG2 PRO 56 - HG3 GLU 87 lone 1 99 - 1 - HG2 PRO 56 - HG2 GLU 87 lone 1 99 - 1 - HB VAL 76 - HG2 GLU 87 lone 1 94 - 1 - HB VAL 76 - HG3 GLU 87 lone 1 95 - 1 - HB3 GLN 91 - HG3 GLU 50 lone 1 95 - 1 - HB VAL 76 - HG3 GLU 19 lone 1 83 - 1 - HB VAL 76 - HG2 GLU 19 lone 1 83 - 1 - HB VAL 90 - HG3 GLU 87 lone 1 95 - 1 - HB VAL 90 - HG2 GLU 87 lone 1 94 - 1 - HB VAL 90 - HG3 GLU 19 lone 1 83 - 1 - HB VAL 90 - HG2 GLU 19 lone 1 83 - 1 - HG2 PRO 44 - HG2 GLU 87 lone 1 90 - 1 - HG2 PRO 44 - HG3 GLU 87 lone 1 90 - 1 - HB3 PRO 56 - HG2 GLU 19 lone 1 92 - 1 - HB3 PRO 56 - HG3 GLU 19 lone 1 92 - 1 - HB VAL 90 - HG3 GLU 50 lone 1 91 - 1 - HG2 PRO 56 - HG3 GLU 19 lone 0 90 - 1 - HG2 PRO 56 - HG2 GLU 19 lone 0 90 - 1 - HG2 PRO 44 - HG2 GLU 19 lone 0 78 - 1 - HG2 PRO 44 - HG3 GLU 19 lone 0 78 - 1 - HG2 ARG 66 - HG3 GLU 87 lone 0 81 - 0 - HG2 ARG 66 - HG2 GLU 87 lone 0 81 - 0 - HG2 ARG 66 - HG3 GLU 50 lone 0 76 - 0 - HB3 MET 11 - HG2 GLU 19 lone 0 60 - 1 - HB3 MET 11 - HG3 GLU 19 lone 0 60 - 1 - HG2 ARG 66 - HG2 GLU 19 lone 0 69 - 0 - HG2 ARG 66 - HG3 GLU 19 lone 0 69 - 0 - Peak 3582 from cnoeabs.peaks (1.91, 2.21, 36.01 ppm; 3.72 A): 8 out of 60 assignments used, quality = 1.00: * HB3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 100 100 - 100 - 3.0=100 HB2 GLU 19 + HG3 GLU 19 OK 92 92 - 100 - 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 92 92 - 100 - 3.0=100 HB2 GLU 19 + HG2 GLU 87 OK 51 100 - 51 - 3568/4.0=5, 3.0/1210=4...(32) HB2 GLU 19 + HG3 GLU 87 OK 51 100 - 51 - 3568/4.0=5, 3.0/1211=4...(32) HB3 GLU 87 + HG2 GLU 19 OK 50 92 - 55 - 1208/3.9=4, 3.0/3560=4...(32) HB3 GLU 87 + HG3 GLU 19 OK 50 92 - 55 - 1208/3.9=4, 3.0/3560=4...(32) HB3 GLU 87 - HG3 GLU 50 OK 17 98 - 17 - ~2202=3, ~2207=2...(5) HB2 GLN 91 - HG2 GLU 87 OK 17 97 - 17 - 3558/4.0=2, ~3661=1...(5) HB2 GLN 91 - HG3 GLU 87 OK 17 97 - 17 - 3558/4.0=2, ~3661=1...(5) HB2 GLN 91 - HG2 GLU 19 OK 12 86 - 15 - 3.6/5905=1, ~3661=1, ~3662=1 HB2 GLN 91 - HG3 GLU 19 OK 12 86 - 15 - 3.6/5905=1, ~3661=1, ~3662=1 HB ILE 68 - HG3 GLU 87 OK 11 97 - 11 - 2749/4.8=4, 3558/4.0=2 HB ILE 68 - HG2 GLU 87 OK 11 97 - 11 - 2749/4.8=4, 3558/4.0=2 HB2 MET 11 - HG3 GLU 50 poor 10 72 - 13 - ~4511=4, ~6110=2, ~972=2...(5) HG13 ILE 68 - HG3 GLU 87 lone 9 90 - 10 - 2770/4.8=3, 3558/4.0=2 HG13 ILE 68 - HG2 GLU 87 lone 9 90 - 10 - 2770/4.8=3, 3558/4.0=2 HB2 GLU 19 - HG3 GLU 50 lone 9 98 - 9 - HB2 MET 31 - HG3 GLU 50 poor 8 59 - 13 - 3.0/4512=2, 4203/3.7=1...(7) HB ILE 68 - HG3 GLU 19 lone 6 86 - 7 - 1208/3.9=1 HB ILE 68 - HG2 GLU 19 lone 6 86 - 7 - 1208/3.9=1 HG13 ILE 68 - HG3 GLU 19 lone 5 78 - 7 - 1208/3.9=1 HG13 ILE 68 - HG2 GLU 19 lone 5 78 - 7 - 1208/3.9=1 HB VAL 41 - HG3 GLU 50 lone 4 74 - 5 - 3821/4.9=2, 4.4/2203=1 HG12 ILE 40 - HG3 GLU 87 lone 3 100 - 3 - HG12 ILE 40 - HG2 GLU 87 lone 3 100 - 3 - HB2 MET 11 - HG3 GLU 87 lone 3 76 - 4 - HB2 MET 11 - HG2 GLU 87 lone 3 76 - 4 - HG12 ILE 40 - HG3 GLU 19 lone 3 91 - 3 - HG12 ILE 40 - HG2 GLU 19 lone 3 91 - 3 - HB VAL 41 - HG3 GLU 19 lone 3 66 - 4 - HB VAL 41 - HG2 GLU 19 lone 3 66 - 4 - HB2 ARG 26 - HG3 GLU 87 lone 2 63 - 3 - HB2 ARG 26 - HG2 GLU 87 lone 2 63 - 3 - HB3 ARG 26 - HG3 GLU 87 lone 2 65 - 3 - HB3 ARG 26 - HG2 GLU 87 lone 2 65 - 3 - HB3 ARG 26 - HG2 GLU 19 lone 2 55 - 3 - HB3 ARG 26 - HG3 GLU 19 lone 2 55 - 3 - HB VAL 41 - HG3 GLU 87 lone 2 78 - 2 - HB VAL 41 - HG2 GLU 87 lone 2 78 - 2 - HG12 ILE 40 - HG3 GLU 50 lone 2 98 - 2 - HB2 ARG 26 - HG2 GLU 19 lone 2 52 - 3 - HB2 ARG 26 - HG3 GLU 19 lone 2 52 - 3 - HB2 MET 31 - HG2 GLU 87 lone 1 63 - 2 - HB2 MET 31 - HG3 GLU 87 lone 1 63 - 2 - HB2 GLN 91 - HG3 GLU 50 lone 1 93 - 1 - HB3 PRO 14 - HG3 GLU 87 lone 1 81 - 1 - HB3 PRO 14 - HG2 GLU 87 lone 1 81 - 1 - HB3 PRO 14 - HG2 GLU 19 lone 1 69 - 2 - HB3 PRO 14 - HG3 GLU 19 lone 1 69 - 2 - HB2 MET 11 - HG3 GLU 19 lone 1 64 - 2 - HB2 MET 11 - HG2 GLU 19 lone 1 64 - 2 - HG13 ILE 68 - HG3 GLU 50 lone 1 86 - 1 - HB ILE 68 - HG3 GLU 50 lone 1 93 - 1 - HB3 ARG 26 - HG3 GLU 50 lone 1 61 - 2 - HB2 MET 31 - HG2 GLU 19 lone 1 52 - 2 - HB2 MET 31 - HG3 GLU 19 lone 1 52 - 2 - HB2 ARG 26 - HG3 GLU 50 lone 1 59 - 2 - HB3 PRO 14 - HG3 GLU 50 lone 1 76 - 1 - Peak 3583 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG3 GLU 50 + HG3 GLU 50 OK 96 96 - 100 HG2 GLU 19 + HG2 GLU 19 OK 78 78 - 100 HG3 GLU 19 + HG3 GLU 19 OK 78 78 - 100 Reference assignment not found: HG2 GLU 87 - HG3 GLU 87 Peak 3584 from cnoeabs.peaks (2.21, 2.21, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG3 GLU 50 + HG3 GLU 50 OK 95 95 - 100 HG2 GLU 19 + HG2 GLU 19 OK 80 80 - 100 HG3 GLU 19 + HG3 GLU 19 OK 80 80 - 100 Peak 3586 from cnoeabs.peaks (4.28, 4.28, 61.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 88 + HA THR 88 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (4.12, 4.28, 61.88 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 88 + HA THR 88 OK 100 100 - 100 - 3.0=100 HA ARG 27 - HA THR 88 OK 17 100 - 17 - 3.0/4035=4, 873/3.0=4...(6) HA GLN 91 - HA THR 88 lone 5 93 - 6 - 873/3.0=1 HA ALA 30 - HA THR 88 lone 5 90 - 6 - 409/3.5=2, 3595/3.2=1 HA ARG 23 - HA THR 88 lone 5 99 - 5 - 5341/3.0=1, 409/3.5=1 HA ASN 49 - HA THR 88 lone 1 85 - 2 - Peak 3588 from cnoeabs.peaks (1.15, 4.28, 61.88 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * QG2 THR 88 + HA THR 88 OK 100 100 - 100 - 3.2=100 HG12 ILE 89 + HA THR 88 OK 46 100 - 46 - 4.5/408=19, 3592/3.0=9...(9) QG2 THR 37 - HA THR 88 lone 4 71 - 5 - Peak 3589 from cnoeabs.peaks (8.13, 4.12, 69.75 ppm; 4.64 A): 1 out of 7 assignments used, quality = 1.00: * H THR 88 + HB THR 88 OK 100 100 - 100 - 3.9=100 H ARG 26 - HB THR 88 OK 12 100 - 12 - 5345=4, 5997/3.0=3, 4.6/534=3 H ASN 74 - HB THR 88 lone 2 81 - 3 - H ARG 71 - HB THR 88 lone 2 71 - 3 - H ALA 78 - HB THR 88 lone 2 89 - 2 - H LEU 57 - HB THR 88 lone 1 83 - 2 - H LYS 85 - HB THR 88 lone 1 68 - 2 - Peak 3590 from cnoeabs.peaks (4.28, 4.12, 69.75 ppm; 2.95 A): 1 out of 10 assignments used, quality = 0.94: * HA THR 88 + HB THR 88 OK 94 100 - 94 - 3.0=94, 408/4.4=10 HA ARG 17 - HB THR 88 lone 4 100 - 3 - HA GLU 19 - HB THR 88 lone 3 76 - 5 - 872/3.9=2, 3594/2.1=1 HA LEU 86 - HB THR 88 lone 3 78 - 4 - 408/4.4=1, 3594/2.1=1 HA ASP 38 - HB THR 88 lone 2 100 - 2 - HA LEU 64 - HB THR 88 lone 2 83 - 2 - HA ALA 20 - HB THR 88 lone 1 85 - 2 - HA SER 60 - HB THR 88 lone 1 100 - 1 - HA ALA 12 - HB THR 88 lone 1 78 - 1 - HA ALA 16 - HB THR 88 lone 0 57 - 1 - Peak 3591 from cnoeabs.peaks (4.12, 4.12, 69.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 88 + HB THR 88 OK 100 100 - 100 Peak 3592 from cnoeabs.peaks (1.15, 4.12, 69.75 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 88 + HB THR 88 OK 100 100 - 100 - 2.1=100 HG12 ILE 89 - HB THR 88 OK 36 100 - 36 - 4.5/409=10, 3588/3.0=8...(8) QG2 THR 37 - HB THR 88 lone 3 71 - 3 - Peak 3594 from cnoeabs.peaks (4.28, 1.15, 21.44 ppm; 3.82 A): 1 out of 10 assignments used, quality = 1.00: * HA THR 88 + QG2 THR 88 OK 100 100 - 100 - 3.2=100 HA GLU 19 - QG2 THR 88 lone 7 76 - 9 - 872/4.0=3, 3590/2.1=1...(4) HA LEU 86 - QG2 THR 88 lone 7 78 - 9 - 408/3.9=2, 4.0/4840=1...(4) HA ARG 17 - QG2 THR 88 lone 6 100 - 6 - 408/3.9=2, 3590/2.1=1, 872/4.0=1 HA ASP 38 - QG2 THR 88 lone 4 100 - 3 - HA LEU 64 - QG2 THR 88 lone 3 83 - 4 - HA ALA 20 - QG2 THR 88 lone 2 85 - 3 - HA SER 60 - QG2 THR 88 lone 2 100 - 2 - HA ALA 12 - QG2 THR 88 lone 1 78 - 2 - HA ALA 16 - QG2 THR 88 lone 1 57 - 2 - Peak 3595 from cnoeabs.peaks (4.12, 1.15, 21.44 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * HB THR 88 + QG2 THR 88 OK 100 100 - 100 - 2.1=100 HA ARG 27 - QG2 THR 88 OK 18 100 - 18 - 3.0/4037=4, 3587/3.2=4...(6) HA ALA 30 - QG2 THR 88 lone 7 90 - 7 - 409/3.9=2, ~5388=1, 3587/3.2=1 HA ARG 23 - QG2 THR 88 lone 5 99 - 5 - 5341/4.0=1, 409/3.9=1 HA GLN 91 - QG2 THR 88 lone 4 93 - 5 - 873/4.0=1, 3587/3.2=1 HA ASN 49 - QG2 THR 88 lone 2 85 - 2 - Peak 3596 from cnoeabs.peaks (1.15, 1.15, 21.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 88 + QG2 THR 88 OK 100 100 - 100 Peak 3597 from cnoeabs.peaks (8.17, 4.17, 60.86 ppm; 4.56 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 89 + HA ILE 89 OK 100 100 - 100 - 3.0=100 H ARG 27 - HA ILE 89 OK 33 100 - 34 - 5521/3.2=9, 5519/4.0=6...(8) H ARG 84 - HA ILE 89 OK 20 68 - 29 - 3604/3.0=3, 4.0/3599=3...(11) H ASN 74 - HA ILE 89 OK 19 81 - 24 - 4.3/3599=6, 3604/3.0=4...(8) H GLU 25 - HA ILE 89 lone 5 63 - 7 - 3618/4.0=1, ~4163=1 H LEU 57 - HA ILE 89 lone 5 78 - 6 - H ALA 78 - HA ILE 89 lone 2 71 - 3 - Peak 3598 from cnoeabs.peaks (4.17, 4.17, 60.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 89 + HA ILE 89 OK 100 100 - 100 Peak 3599 from cnoeabs.peaks (1.82, 4.17, 60.86 ppm; 3.86 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 89 + HA ILE 89 OK 100 100 - 100 - 3.0=100 HB2 LYS 73 + HA ILE 89 OK 47 100 - 47 - 3613/3.2=6, 877/3.0=5...(22) HB2 LYS 85 - HA ILE 89 OK 22 81 - 28 - 1.8/6062=4, 4.6/4038=4...(14) HB3 ARG 84 - HA ILE 89 OK 22 81 - 28 - 3384=3, 3613/3.2=2...(14) HB2 LYS 75 - HA ILE 89 OK 10 85 - 12 - 3613/3.2=1, 3634/4.2=1...(4) HB2 ARG 27 - HA ILE 89 poor 10 60 - 16 - 4.1/3597=3, ~409=2...(5) HB2 ARG 17 - HA ILE 89 lone 8 90 - 9 - 877/3.0=1 HB2 ARG 69 - HA ILE 89 lone 8 81 - 9 - 3613/3.2=1, 3634/4.2=1 HB2 ARG 23 - HA ILE 89 lone 6 76 - 7 - HB3 ARG 23 - HA ILE 89 lone 5 73 - 7 - HB2 ARG 71 - HA ILE 89 lone 3 60 - 5 - Peak 3600 from cnoeabs.peaks (0.84, 4.17, 60.86 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 89 + HA ILE 89 OK 100 100 - 100 - 3.2=100 QD2 LEU 29 - HA ILE 89 OK 40 100 - 40 - 4840/4.0=7, 1512=5...(14) QD1 LEU 43 - HA ILE 89 OK 36 96 - 38 - 3635/4.2=6, 3607/3.0=6...(15) QD2 LEU 86 - HA ILE 89 OK 33 98 - 34 - 4840/4.0=5, 3607/3.0=4...(13) QD2 LEU 64 - HA ILE 89 OK 16 100 - 16 - 3607/3.0=2, 3635/4.2=2...(6) Peak 3601 from cnoeabs.peaks (1.14, 4.17, 60.86 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 89 + HA ILE 89 OK 100 100 - 100 - 4.0=100 QG2 THR 88 + HA ILE 89 OK 59 100 - 59 - 879/3.0=21, ~408=14...(7) QG2 THR 37 - HA ILE 89 lone 6 60 - 9 - 5270/3.0=2, 3636/4.2=2...(4) Peak 3602 from cnoeabs.peaks (1.44, 4.17, 60.86 ppm; 4.94 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 89 + HA ILE 89 OK 100 100 - 100 - 4.0=100 HB3 LEU 43 + HA ILE 89 OK 51 100 - 51 - 3616/3.2=8, 3.1/3603=7...(14) HG12 ILE 33 + HA ILE 89 OK 47 100 - 48 - 3629/4.0=8, ~6122=7...(11) HG3 LYS 85 - HA ILE 89 OK 34 93 - 37 - 4.7/4038=5, 2.9/6062=4...(13) HG2 LYS 13 - HA ILE 89 OK 33 90 - 37 - 3609/3.0=4, 3616/3.2=4...(14) QB ALA 30 - HA ILE 89 OK 31 99 - 31 - 5539/3.0=7, 5536/3.2=5...(9) HG3 LYS 13 - HA ILE 89 OK 28 89 - 32 - 3609/3.0=4, 3616/3.2=4...(11) HB3 LEU 57 - HA ILE 89 poor 6 60 - 10 - 5269/3.0=1, ~2435=1 Peak 3603 from cnoeabs.peaks (0.81, 4.17, 60.86 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 89 + HA ILE 89 OK 100 100 - 100 - 4.2=100 QD1 LEU 43 - HA ILE 89 OK 37 85 - 44 - 3617/3.2=10, 3610/3.0=7...(15) QD2 LEU 86 - HA ILE 89 OK 26 78 - 33 - 3617/3.2=5, 3610/3.0=4...(13) QG1 VAL 41 - HA ILE 89 OK 16 92 - 17 - 5626=5, 2.1/5625=3...(6) QG2 ILE 68 - HA ILE 89 OK 12 100 - 11 - 3610/3.0=3, 3617/3.2=2...(4) Peak 3604 from cnoeabs.peaks (8.17, 1.82, 38.45 ppm; 4.17 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 89 + HB ILE 89 OK 100 100 - 100 - 4.0=100 H ARG 27 - HB ILE 89 OK 31 100 - 31 - 5521/2.1=9, 5519/2.9=6...(6) H ASN 74 - HB ILE 89 OK 20 81 - 26 - 3.6/3605=6, 324=5...(8) H ARG 84 - HB ILE 89 OK 17 68 - 25 - 3.0/3605=4, 3597/3.0=3...(12) H GLU 25 - HB ILE 89 lone 5 63 - 8 - 3618/2.9=1, ~4163=1 H LEU 57 - HB ILE 89 lone 4 78 - 5 - H ALA 78 - HB ILE 89 lone 2 71 - 3 - Peak 3605 from cnoeabs.peaks (4.17, 1.82, 38.45 ppm; 3.91 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 89 + HB ILE 89 OK 100 100 - 100 - 3.0=100 HA LYS 73 + HB ILE 89 OK 54 99 - 55 - 3612/2.1=8, 3619/2.9=6...(24) HA LEU 29 - HB ILE 89 OK 36 98 - 37 - 3612/2.1=6, 3619/2.9=4...(16) HA ARG 84 - HB ILE 89 OK 30 92 - 32 - 3612/2.1=4, 3619/2.9=3...(16) HA ARG 82 - HB ILE 89 lone 7 99 - 7 - 3612/2.1=1 HA ALA 53 - HB ILE 89 lone 5 99 - 5 - HB THR 15 - HB ILE 89 lone 5 100 - 4 - HA GLN 79 - HB ILE 89 lone 2 63 - 2 - Peak 3606 from cnoeabs.peaks (1.82, 1.82, 38.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 89 + HB ILE 89 OK 100 100 - 100 Peak 3607 from cnoeabs.peaks (0.84, 1.82, 38.45 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * QG2 ILE 89 + HB ILE 89 OK 100 100 - 100 - 2.1=100 QD1 LEU 43 - HB ILE 89 OK 36 96 - 38 - 3635/3.2=6, 3621/2.9=4...(18) QD2 LEU 29 - HB ILE 89 OK 28 100 - 28 - 4840/2.9=6, 3600/3.0=4...(11) QD2 LEU 86 - HB ILE 89 OK 25 98 - 25 - 4840/2.9=4, 3635/3.2=4...(10) QD2 LEU 64 - HB ILE 89 OK 13 100 - 12 - 3635/3.2=2, 5029/2.9=2...(4) Peak 3609 from cnoeabs.peaks (1.44, 1.82, 38.45 ppm; 4.18 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 89 + HB ILE 89 OK 100 100 - 100 - 2.9=100 HG12 ILE 33 + HB ILE 89 OK 57 100 - 58 - 3629/2.9=8, 3627=7...(19) HB3 LEU 43 + HB ILE 89 OK 57 100 - 57 - 3616/2.1=7, 3.1/3610=7...(24) HG2 LYS 13 - HB ILE 89 OK 36 90 - 40 - 3616/2.1=4, 3637/3.2=3...(19) HG3 LYS 13 - HB ILE 89 OK 34 89 - 38 - 3616/2.1=4, ~5274=3...(18) HG3 LYS 85 - HB ILE 89 OK 30 93 - 32 - 4.7/5903=4, 3616/2.1=3...(15) QB ALA 30 - HB ILE 89 OK 27 99 - 27 - 5539/4.0=4, 5536/2.1=4...(11) HB3 LEU 57 - HB ILE 89 lone 5 60 - 8 - Peak 3610 from cnoeabs.peaks (0.81, 1.82, 38.45 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 89 + HB ILE 89 OK 100 100 - 100 - 3.2=100 QD1 LEU 43 - HB ILE 89 OK 39 85 - 46 - 3617/2.1=10, 2033/2.9=5...(19) QD2 LEU 86 - HB ILE 89 OK 22 78 - 28 - 3617/2.1=6, 3603/3.0=3...(13) QG1 VAL 41 - HB ILE 89 OK 13 92 - 14 - 5626/3.0=2, 3617/2.1=2...(5) QG2 ILE 68 - HB ILE 89 OK 13 100 - 13 - 3617/2.1=2, 3624/2.9=2...(5) Peak 3612 from cnoeabs.peaks (4.17, 0.84, 17.06 ppm; 3.80 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 89 + QG2 ILE 89 OK 100 100 - 100 - 3.2=100 HA LYS 73 + QG2 ILE 89 OK 51 99 - 52 - 3605/2.1=7, 3.0/3613=6...(21) HA LEU 29 - QG2 ILE 89 OK 43 98 - 44 - 3605/2.1=5, 1482=5...(20) HA ARG 84 - QG2 ILE 89 OK 30 92 - 32 - 3605/2.1=4, 3633/3.1=3...(13) HA ARG 82 - QG2 ILE 89 lone 7 99 - 7 - 3605/2.1=1 HA ALA 53 - QG2 ILE 89 lone 5 99 - 5 - HB THR 15 - QG2 ILE 89 lone 4 100 - 4 - HA GLN 79 - QG2 ILE 89 lone 1 63 - 2 - Peak 3613 from cnoeabs.peaks (1.82, 0.84, 17.06 ppm; 3.18 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 89 + QG2 ILE 89 OK 100 100 - 100 - 2.1=100 HB2 LYS 73 - QG2 ILE 89 OK 41 100 - 41 - 3.0/3612=4, 3634/3.1=4...(18) HB2 LYS 85 - QG2 ILE 89 OK 16 81 - 19 - 4.6/4040=3, 3599/3.2=2...(8) HB3 ARG 84 - QG2 ILE 89 OK 15 81 - 19 - 3.0/3612=2, 3599/3.2=2...(7) HB2 LYS 75 - QG2 ILE 89 poor 9 85 - 11 - 3634/3.1=1 HB2 ARG 27 - QG2 ILE 89 poor 8 60 - 14 - 4.1/5521=3, 4.3/4171=1...(4) HB2 ARG 69 - QG2 ILE 89 lone 8 81 - 10 - ~5274=1, 3634/3.1=1, ~5821=1 HB2 ARG 17 - QG2 ILE 89 lone 6 90 - 6 - HB2 ARG 23 - QG2 ILE 89 lone 4 76 - 5 - HB3 ARG 23 - QG2 ILE 89 lone 3 73 - 5 - HB2 ARG 71 - QG2 ILE 89 lone 2 60 - 4 - Peak 3614 from cnoeabs.peaks (0.84, 0.84, 17.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 89 + QG2 ILE 89 OK 100 100 - 100 Peak 3615 from cnoeabs.peaks (1.14, 0.84, 17.06 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 89 + QG2 ILE 89 OK 100 100 - 100 - 3.2=100 QG2 THR 88 - QG2 ILE 89 OK 37 100 - 37 - 879/4.0=10, 3636/3.1=7...(9) QG2 THR 37 - QG2 ILE 89 lone 6 60 - 9 - 3636/3.1=1, 5270/2.1=1 Peak 3616 from cnoeabs.peaks (1.44, 0.84, 17.06 ppm; 3.75 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 89 + QG2 ILE 89 OK 100 100 - 100 - 3.2=100 HB3 LEU 43 + QG2 ILE 89 OK 64 100 - 64 - 3.1/3617=9, 2021=8...(30) HG12 ILE 33 + QG2 ILE 89 OK 57 100 - 58 - 2.1/6122=9, 3628=7...(21) HG2 LYS 13 - QG2 ILE 89 OK 34 90 - 38 - 3609/2.1=3, 3637/3.1=3...(20) HG3 LYS 13 - QG2 ILE 89 OK 32 89 - 36 - ~5274=3, 3609/2.1=3...(18) QB ALA 30 - QG2 ILE 89 OK 30 99 - 30 - 5536=4, 2.9/85=3...(10) HG3 LYS 85 - QG2 ILE 89 OK 25 93 - 27 - 4.7/4040=4, 3609/2.1=3...(8) HB3 LEU 57 - QG2 ILE 89 lone 6 60 - 9 - Peak 3617 from cnoeabs.peaks (0.81, 0.84, 17.06 ppm; 2.40 A): 3 out of 5 assignments used, quality = 0.65: * QD1 ILE 89 + QG2 ILE 89 OK 51 100 - 51 - 3.1=48, ~3635=2, 5268/4.0=1 QD1 LEU 43 + QG2 ILE 89 OK 20 85 - 23 - 2.1/2042=3, 3610/2.1=3...(9) QD2 LEU 86 + QG2 ILE 89 OK 10 78 - 13 - 3610/2.1=2, 4.8/4040=1...(6) QG1 VAL 41 - QG2 ILE 89 lone 4 92 - 5 - QG2 ILE 68 - QG2 ILE 89 lone 4 100 - 4 - Peak 3618 from cnoeabs.peaks (8.17, 1.14, 27.16 ppm; 4.85 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 4.5=100 H ARG 27 - HG12 ILE 89 OK 41 100 - 41 - 5521/3.2=10, 5519/1.8=10...(9) H ASN 74 - HG12 ILE 89 OK 25 81 - 31 - 3.6/3619=7, 4.3/6149=7...(7) H ARG 84 - HG12 ILE 89 OK 22 68 - 32 - 3.0/3619=4, 3604/2.9=4...(12) H GLU 25 - HG12 ILE 89 poor 10 63 - 16 - 5.0/5513=3, 5.0/4164=2...(7) H LEU 57 - HG12 ILE 89 lone 7 78 - 9 - 3625/1.8=1, 3.8/6149=1 H ALA 78 - HG12 ILE 89 lone 3 71 - 4 - Peak 3619 from cnoeabs.peaks (4.17, 1.14, 27.16 ppm; 4.59 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 4.0=100 HA LYS 73 + HG12 ILE 89 OK 59 99 - 61 - 3633/2.1=9, 3605/2.9=9...(20) HA LEU 29 - HG12 ILE 89 OK 41 98 - 41 - 4.0/4840=8, 3612/3.2=7...(12) HA ARG 84 - HG12 ILE 89 OK 32 92 - 35 - 3633/2.1=5, 3605/2.9=5...(14) HA ARG 82 - HG12 ILE 89 lone 8 99 - 8 - 3633/2.1=1, 3605/2.9=1 HA ALA 53 - HG12 ILE 89 lone 6 99 - 6 - 3633/2.1=1 HB THR 15 - HG12 ILE 89 lone 5 100 - 5 - HA GLN 79 - HG12 ILE 89 lone 2 63 - 3 - Peak 3620 from cnoeabs.peaks (1.82, 1.14, 27.16 ppm; 4.64 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG12 ILE 89 OK 69 100 - 70 - 1.8/6149=9, 3634/2.1=9...(28) HB3 ARG 84 - HG12 ILE 89 OK 28 81 - 35 - 3.0/3619=4, 3634/2.1=3...(14) HB2 LYS 85 - HG12 ILE 89 OK 24 81 - 30 - 3634/2.1=3, 3613/3.2=3...(13) HB2 LYS 75 - HG12 ILE 89 OK 18 85 - 21 - 3634/2.1=3, 1.8/6149=2...(7) HB2 ARG 69 - HG12 ILE 89 OK 17 81 - 20 - ~5274=3, ~5821=3...(8) HB2 ARG 27 - HG12 ILE 89 OK 14 60 - 23 - 4.1/3618=5, ~4807=5...(10) HB2 ARG 17 - HG12 ILE 89 OK 10 90 - 11 - 3634/2.1=1, 877/4.5=1...(7) HB2 ARG 23 - HG12 ILE 89 lone 7 76 - 9 - HB3 ARG 23 - HG12 ILE 89 lone 7 73 - 9 - HB2 ARG 71 - HG12 ILE 89 lone 5 60 - 8 - Peak 3621 from cnoeabs.peaks (0.84, 1.14, 27.16 ppm; 3.83 A): 2 out of 5 assignments used, quality = 1.00: * QG2 ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 3.2=100 QD1 LEU 43 + HG12 ILE 89 OK 48 96 - 51 - 3635/2.1=10, 2033/1.8=7...(18) QD2 LEU 29 - HG12 ILE 89 OK 35 100 - 35 - 4840=9, 3635/2.1=6...(10) QD2 LEU 86 - HG12 ILE 89 OK 31 98 - 31 - 4840=7, 3635/2.1=6...(10) QD2 LEU 64 - HG12 ILE 89 OK 16 100 - 16 - 3635/2.1=3, 5029/1.8=3...(4) Peak 3622 from cnoeabs.peaks (1.14, 1.14, 27.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 89 + HG12 ILE 89 OK 100 100 - 100 Peak 3623 from cnoeabs.peaks (1.44, 1.14, 27.16 ppm; 2.57 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 1.8=100 HG12 ILE 33 - HG12 ILE 89 OK 31 100 - 31 - 3629=9, 3637/2.1=2...(15) HB3 LEU 43 - HG12 ILE 89 OK 23 100 - 23 - 3637/2.1=3, 3.1/3621=2...(11) HG2 LYS 13 - HG12 ILE 89 OK 13 90 - 15 - 1024/1.8=2, 3637/2.1=1...(4) HG3 LYS 13 - HG12 ILE 89 OK 13 89 - 15 - 1033/1.8=2, ~5274=2...(6) QB ALA 30 - HG12 ILE 89 lone 9 99 - 9 - 5539/4.5=1, 5536/3.2=1 HG3 LYS 85 - HG12 ILE 89 lone 9 93 - 9 - HB3 LEU 57 - HG12 ILE 89 lone 2 60 - 3 - Peak 3624 from cnoeabs.peaks (0.81, 1.14, 27.16 ppm; 4.84 A): 2 out of 5 assignments used, quality = 1.00: * QD1 ILE 89 + HG12 ILE 89 OK 100 100 - 100 - 2.1=100 QD1 LEU 43 + HG12 ILE 89 OK 53 85 - 63 - 3617/3.2=11, 3610/2.9=9...(18) QD2 LEU 86 - HG12 ILE 89 OK 29 78 - 37 - 3617/3.2=6, 4840=5...(13) QG2 ILE 68 - HG12 ILE 89 OK 19 100 - 19 - 3610/2.9=3, 3631/1.8=2...(9) QG1 VAL 41 - HG12 ILE 89 OK 17 92 - 18 - 5626/4.0=3, 3610/2.9=3...(7) Peak 3625 from cnoeabs.peaks (8.17, 1.44, 27.16 ppm; 4.84 A): 2 out of 14 assignments used, quality = 1.00: * H ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 4.5=100 H ARG 27 + HG13 ILE 89 OK 45 100 - 45 - 5519=11, 5521/3.2=10...(10) H ILE 89 - HG12 ILE 33 OK 30 98 - 31 - 4.5/3629=7, 4.0/3616=6...(6) H LEU 57 - HG12 ILE 33 OK 30 74 - 40 - 693/2.1=13, 4.7/1671=10...(9) H ARG 84 - HG13 ILE 89 OK 22 68 - 33 - 3618/1.8=4, 3604/2.9=4...(13) H ASN 74 - HG13 ILE 89 OK 21 81 - 26 - 4.3/3627=5, 3618/1.8=5...(7) H ARG 27 - HG12 ILE 33 poor 10 97 - 10 - 5519=2, 65/3.0=1, 3.0/4807=1 H LEU 57 - HG13 ILE 89 poor 9 78 - 11 - 4.7/1671=2, 3618/1.8=1...(4) H GLU 25 - HG13 ILE 89 poor 7 63 - 11 - 3618/1.8=2, ~4162=1...(4) H ASN 74 - HG12 ILE 33 lone 5 76 - 7 - 3.6/3626=1 H ARG 84 - HG12 ILE 33 lone 3 64 - 5 - H ALA 78 - HG13 ILE 89 lone 3 71 - 4 - H GLU 25 - HG12 ILE 33 lone 2 58 - 4 - H ALA 78 - HG12 ILE 33 lone 1 66 - 2 - Peak 3626 from cnoeabs.peaks (4.17, 1.44, 27.16 ppm; 5.12 A): 4 out of 16 assignments used, quality = 1.00: * HA ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 4.0=100 HA LYS 73 + HG13 ILE 89 OK 67 99 - 68 - 3619/1.8=11, 3633/2.1=10...(20) HA ILE 89 + HG12 ILE 33 OK 49 98 - 50 - 4.0/3629=8, ~6122=7...(11) HA LEU 29 + HG13 ILE 89 OK 47 98 - 48 - 3612/3.2=8, 3619/1.8=7...(14) HA ARG 84 - HG13 ILE 89 OK 39 92 - 43 - 3619/1.8=6, 3633/2.1=6...(17) HA LEU 29 - HG12 ILE 33 OK 31 94 - 33 - 5188/4.5=22, 3.0/5534=2...(5) HA LYS 73 - HG12 ILE 33 OK 15 96 - 16 - 5188/4.5=6 HA ARG 82 - HG13 ILE 89 lone 10 99 - 9 - 3619/1.8=1, 3633/2.1=1...(4) HA ALA 53 - HG12 ILE 33 lone 10 96 - 10 - ~204=3, ~4963=2...(4) HA ALA 53 - HG13 ILE 89 lone 8 99 - 8 - 3633/2.1=1, 3619/1.8=1 HB THR 15 - HG13 ILE 89 lone 6 100 - 6 - HA ARG 84 - HG12 ILE 33 lone 6 87 - 7 - 5188/4.5=1 HA ARG 82 - HG12 ILE 33 lone 5 96 - 5 - HB THR 15 - HG12 ILE 33 lone 5 98 - 5 - HA GLN 79 - HG13 ILE 89 lone 2 63 - 3 - HA GLN 79 - HG12 ILE 33 lone 1 58 - 2 - Peak 3627 from cnoeabs.peaks (1.82, 1.44, 27.16 ppm; 3.80 A): 3 out of 22 assignments used, quality = 1.00: * HB ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG13 ILE 89 OK 53 100 - 54 - 3634/2.1=6, 3613/3.2=6...(26) HB ILE 89 + HG12 ILE 33 OK 50 98 - 51 - 2.9/3629=7, 3609=6...(18) HB3 ARG 84 - HG13 ILE 89 OK 20 81 - 25 - 3620/1.8=2, 3634/2.1=2...(12) HB2 LYS 85 - HG13 ILE 89 OK 19 81 - 24 - 3613/3.2=2, 1.8/3448=2...(10) HB2 LYS 75 - HG13 ILE 89 OK 13 85 - 15 - 3634/2.1=2, 3620/1.8=2...(5) HB2 ARG 69 - HG13 ILE 89 OK 12 81 - 15 - ~5274=2, 3634/2.1=2...(6) HB2 ARG 27 - HG13 ILE 89 OK 11 60 - 18 - 3.0/4807=5, 4.1/5519=4...(5) HB2 ARG 69 - HG12 ILE 33 OK 10 76 - 13 - 2796/1.8=2, ~2804=1...(5) HB2 ARG 17 - HG13 ILE 89 lone 7 90 - 8 - HB2 LYS 73 - HG12 ILE 33 lone 6 98 - 6 - HB2 ARG 23 - HG13 ILE 89 lone 5 76 - 6 - HB3 ARG 23 - HG13 ILE 89 lone 5 73 - 6 - HB2 LYS 85 - HG12 ILE 33 lone 4 76 - 5 - HB2 ARG 71 - HG13 ILE 89 lone 3 60 - 6 - HB2 LYS 75 - HG12 ILE 33 lone 3 80 - 3 - HB3 ARG 84 - HG12 ILE 33 lone 2 76 - 2 - HB2 ARG 27 - HG12 ILE 33 lone 2 56 - 3 - HB2 ARG 17 - HG12 ILE 33 lone 1 86 - 1 - HB2 ARG 23 - HG12 ILE 33 lone 1 71 - 2 - HB3 ARG 23 - HG12 ILE 33 lone 1 69 - 2 - HB2 ARG 71 - HG12 ILE 33 lone 1 56 - 2 - Peak 3628 from cnoeabs.peaks (0.84, 1.44, 27.16 ppm; 3.59 A): 4 out of 10 assignments used, quality = 1.00: * QG2 ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 3.2=100 QD1 LEU 43 + HG13 ILE 89 OK 54 96 - 57 - 3635/2.1=10, 2033=8...(21) QG2 ILE 89 + HG12 ILE 33 OK 53 98 - 54 - 6122/2.1=9, 3616=7...(21) QD2 LEU 64 + HG12 ILE 33 OK 49 97 - 50 - 6122/2.1=9, 5030/1.8=8...(14) QD2 LEU 29 - HG13 ILE 89 OK 32 100 - 32 - 4840/1.8=9, 3635/2.1=5...(10) QD2 LEU 86 - HG13 ILE 89 OK 27 98 - 28 - 4840/1.8=7, 3635/2.1=6...(7) QD1 LEU 43 - HG12 ILE 33 OK 24 91 - 26 - 6122/2.1=4, 2033=4...(7) QD2 LEU 64 - HG13 ILE 89 OK 21 100 - 21 - 3635/2.1=3, 5029=3...(5) QD2 LEU 29 - HG12 ILE 33 OK 15 97 - 16 - 6122/2.1=3, 5559/4.5=2...(5) QD2 LEU 86 - HG12 ILE 33 lone 7 94 - 7 - 6122/2.1=1 Peak 3629 from cnoeabs.peaks (1.14, 1.44, 27.16 ppm; 2.59 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 1.8=100 HG12 ILE 89 - HG12 ILE 33 OK 30 98 - 31 - 3623=8, 2.1/3637=2...(15) QG2 THR 88 - HG13 ILE 89 OK 21 100 - 21 - 879/4.5=4, 3636/2.1=4...(8) QG2 THR 37 - HG12 ILE 33 poor 8 56 - 14 - 4285/3.2=6, ~5597=3, 3.2/4230=1 QG2 THR 37 - HG13 ILE 89 lone 3 60 - 5 - QG2 THR 88 - HG12 ILE 33 lone 2 97 - 2 - Peak 3630 from cnoeabs.peaks (1.44, 1.44, 27.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 89 + HG13 ILE 89 OK 100 100 - 100 HG12 ILE 33 + HG12 ILE 33 OK 97 97 - 100 Peak 3631 from cnoeabs.peaks (0.81, 1.44, 27.16 ppm; 3.98 A): 3 out of 10 assignments used, quality = 1.00: * QD1 ILE 89 + HG13 ILE 89 OK 100 100 - 100 - 2.1=100 QD1 ILE 89 + HG12 ILE 33 OK 59 98 - 61 - 3637=9, 2.1/3629=9...(21) QD1 LEU 43 + HG13 ILE 89 OK 51 85 - 60 - 3617/3.2=9, 2033=7...(22) QG2 ILE 68 - HG12 ILE 33 OK 25 98 - 26 - ~5376=11, 4853/1.8=3...(7) QD2 LEU 86 - HG13 ILE 89 OK 21 78 - 27 - 3617/3.2=5, 4840/1.8=4...(9) QD1 LEU 43 - HG12 ILE 33 OK 20 80 - 25 - 2033=3, 6122/2.1=3...(8) QG2 ILE 68 - HG13 ILE 89 OK 15 100 - 15 - 3624/1.8=2, 3610/2.9=2...(5) QG1 VAL 41 - HG13 ILE 89 OK 13 92 - 14 - 3610/2.9=2, 5626/4.0=2...(5) QG1 VAL 41 - HG12 ILE 33 lone 8 87 - 9 - QD2 LEU 86 - HG12 ILE 33 lone 4 74 - 6 - Peak 3633 from cnoeabs.peaks (4.17, 0.81, 12.46 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * HA ILE 89 + QD1 ILE 89 OK 100 100 - 100 - 4.2=100 HA LYS 73 + QD1 ILE 89 OK 68 99 - 69 - 3619/2.1=9, 3605/3.2=9...(22) HA LEU 29 - QD1 ILE 89 OK 45 98 - 46 - 3612/3.1=7, 3.0/6150=7...(13) HA ARG 84 - QD1 ILE 89 OK 37 92 - 41 - 3619/2.1=5, 3612/3.1=5...(17) HA ARG 82 - QD1 ILE 89 lone 9 99 - 8 - 3619/2.1=1, 3605/3.2=1 HA ALA 53 - QD1 ILE 89 lone 8 99 - 7 - 2.1/5274=1, 3619/2.1=1 HB THR 15 - QD1 ILE 89 lone 5 100 - 5 - HA GLN 79 - QD1 ILE 89 lone 2 63 - 3 - Peak 3634 from cnoeabs.peaks (1.82, 0.81, 12.46 ppm; 4.31 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 89 + QD1 ILE 89 OK 100 100 - 100 - 3.2=100 HB2 LYS 73 + QD1 ILE 89 OK 67 100 - 67 - 3613/3.1=8, 3620/2.1=8...(27) HB3 ARG 84 - QD1 ILE 89 OK 24 81 - 30 - 3.0/3633=4, 3620/2.1=3...(14) HB2 LYS 85 - QD1 ILE 89 OK 23 81 - 29 - 3613/3.1=3, 3620/2.1=3...(14) HB2 LYS 75 - QD1 ILE 89 OK 21 85 - 25 - 2.7/5274=3, 2.7/5274=3...(9) HB2 ARG 69 - QD1 ILE 89 OK 19 81 - 23 - 1.8/5274=5, 3.0/4767=3...(7) HB2 ARG 27 - QD1 ILE 89 OK 11 60 - 19 - ~4807=4, 3.0/5186=2...(9) HB2 ARG 17 - QD1 ILE 89 poor 10 90 - 10 - 3.0/5904=2, 3620/2.1=1...(4) HB2 ARG 71 - QD1 ILE 89 poor 7 60 - 11 - 4.4/5056=2, 4.0/5835=2 HB2 ARG 23 - QD1 ILE 89 lone 6 76 - 8 - HB3 ARG 23 - QD1 ILE 89 lone 6 73 - 8 - Peak 3635 from cnoeabs.peaks (0.84, 0.81, 12.46 ppm; 2.40 A): 4 out of 5 assignments used, quality = 0.71: * QG2 ILE 89 + QD1 ILE 89 OK 51 100 - 51 - 3.1=48, ~3617=2, 4.0/5268=1 QD1 LEU 43 + QD1 ILE 89 OK 23 96 - 24 - 2033/2.1=3, 3621/2.1=3...(10) QD2 LEU 86 + QD1 ILE 89 OK 13 98 - 13 - 4840/2.1=2, 4.0/5904=2...(5) QD2 LEU 29 + QD1 ILE 89 OK 12 100 - 12 - 4840/2.1=3, 3607/3.2=2...(5) QD2 LEU 64 - QD1 ILE 89 lone 7 100 - 6 - Peak 3636 from cnoeabs.peaks (1.14, 0.81, 12.46 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 89 + QD1 ILE 89 OK 100 100 - 100 - 2.1=100 QG2 THR 88 - QD1 ILE 89 OK 42 100 - 42 - 879/4.9=9, 3615/3.1=8...(8) QG2 THR 37 - QD1 ILE 89 poor 8 60 - 13 - 2.1/4283=2, 5270/3.2=1...(5) Peak 3637 from cnoeabs.peaks (1.44, 0.81, 12.46 ppm; 3.90 A): 3 out of 8 assignments used, quality = 1.00: * HG13 ILE 89 + QD1 ILE 89 OK 100 100 - 100 - 2.1=100 HB3 LEU 43 + QD1 ILE 89 OK 64 100 - 64 - 3.1/3635=9, 2021=6...(31) HG12 ILE 33 + QD1 ILE 89 OK 60 100 - 60 - 3631=9, 3629/2.1=9...(21) HG2 LYS 13 - QD1 ILE 89 OK 33 90 - 37 - 3623/2.1=3, 3616/3.1=3...(17) HG3 LYS 13 - QD1 ILE 89 OK 30 89 - 34 - 3623/2.1=3, 3616/3.1=3...(16) QB ALA 30 - QD1 ILE 89 OK 22 99 - 22 - 5536/3.1=3, 5539/4.9=3...(10) HG3 LYS 85 - QD1 ILE 89 OK 22 93 - 24 - 3609/3.2=2, 3616/3.1=2...(11) HB3 LEU 57 - QD1 ILE 89 lone 5 60 - 8 - Peak 3638 from cnoeabs.peaks (0.81, 0.81, 12.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 89 + QD1 ILE 89 OK 100 100 - 100 Peak 3639 from cnoeabs.peaks (8.27, 4.08, 62.21 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.0=100 H LEU 86 - HA VAL 90 OK 12 100 - 12 - ~3513=3, 3644/3.0=1...(7) H ALA 12 - HA VAL 90 lone 4 65 - 6 - 4.1/3641=1, 883=1 H ASN 80 - HA VAL 90 lone 4 89 - 4 - H LYS 13 - HA VAL 90 lone 3 99 - 3 - Peak 3640 from cnoeabs.peaks (4.08, 4.08, 62.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 90 + HA VAL 90 OK 100 100 - 100 Peak 3641 from cnoeabs.peaks (2.02, 4.08, 62.21 ppm; 5.34 A): 1 out of 17 assignments used, quality = 1.00: * HB VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.0=100 HB3 GLN 91 - HA VAL 90 OK 37 78 - 47 - 3.6/4044=44, ~3662=3 HG2 ARG 66 - HA VAL 90 OK 31 99 - 31 - 5167=5, 5373/3.2=3...(11) HB3 MET 11 - HA VAL 90 OK 20 96 - 21 - 3645=3, 4045/3.6=2...(10) HB VAL 76 - HA VAL 90 OK 16 68 - 23 - 3645=3, 3644/3.0=2...(9) HD2 ARG 69 - HA VAL 90 lone 8 96 - 8 - HD3 ARG 69 - HA VAL 90 lone 8 96 - 8 - HB3 GLU 19 - HA VAL 90 lone 7 83 - 9 - 420/3.6=3 HB3 GLN 79 - HA VAL 90 lone 7 73 - 9 - 5167=1, 4.2/3639=1 HB2 GLU 87 - HA VAL 90 lone 6 95 - 6 - 420/3.6=2 HB3 PRO 56 - HA VAL 90 lone 4 95 - 4 - HB2 GLU 50 - HA VAL 90 lone 4 78 - 5 - HB3 GLU 50 - HA VAL 90 lone 4 78 - 5 - HG LEU 43 - HA VAL 90 lone 4 57 - 7 - ~414=3 HG2 PRO 56 - HA VAL 90 lone 3 85 - 4 - QE MET 31 - HA VAL 90 lone 2 60 - 4 - HG2 PRO 44 - HA VAL 90 lone 2 60 - 3 - Peak 3642 from cnoeabs.peaks (0.90, 4.08, 62.21 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: * QG1 VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.2=100 QG2 VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 - HA VAL 90 OK 18 83 - 21 - 3.1/5348=4, 3.1/4186=2...(7) QD1 LEU 86 - HA VAL 90 OK 16 96 - 17 - ~414=2, 886/3.0=2...(8) QG2 VAL 76 - HA VAL 90 poor 10 81 - 12 - 3650=2, 2.1/3650=1, 2.1/3645=1 QG1 VAL 76 - HA VAL 90 poor 10 81 - 12 - 3650=2, 2.1/3650=1, 2.1/3645=1 HG LEU 51 - HA VAL 90 lone 6 99 - 6 - QD1 LEU 62 - HA VAL 90 lone 4 68 - 6 - HG12 ILE 68 - HA VAL 90 lone 2 81 - 2 - Peak 3643 from cnoeabs.peaks (0.90, 4.08, 62.21 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: * QG2 VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.2=100 QG1 VAL 90 + HA VAL 90 OK 100 100 - 100 - 3.2=100 QD1 LEU 29 - HA VAL 90 OK 18 85 - 21 - 3.1/5348=4, 3.1/4186=2...(8) QD1 LEU 86 - HA VAL 90 OK 16 97 - 17 - ~414=2, 886/3.0=2...(8) QG2 VAL 76 - HA VAL 90 poor 10 78 - 12 - 3650=2, 2.1/3650=1, 2.1/3645=1 QG1 VAL 76 - HA VAL 90 poor 9 78 - 12 - 3650=2, 2.1/3650=1, 2.1/3645=1 HG LEU 51 - HA VAL 90 lone 6 99 - 6 - QD1 LEU 62 - HA VAL 90 lone 4 71 - 6 - HG12 ILE 68 - HA VAL 90 lone 2 78 - 2 - Peak 3644 from cnoeabs.peaks (8.27, 2.02, 32.55 ppm; 4.18 A): 1 out of 15 assignments used, quality = 1.00: * H VAL 90 + HB VAL 90 OK 100 100 - 100 - 3.9=100 H ALA 12 - HB3 MET 11 OK 35 35 - 100 - 4.1=100 H LEU 86 - HB VAL 90 lone 8 100 - 8 - 3639/3.0=3, 3654/2.1=1...(4) H VAL 90 - HB VAL 76 poor 8 68 - 12 - 884=2, 3.0/3645=1...(4) H LYS 13 - HB3 MET 11 lone 5 63 - 7 - 4.6/884=5 H VAL 90 - HB3 MET 11 lone 4 65 - 6 - 3.0/3641=2, 884=1 H ASN 80 - HB VAL 90 lone 4 89 - 4 - H ALA 12 - HB VAL 90 lone 4 65 - 6 - 3.6/960=1, 3639/3.0=1, 4.1/965=1 H LYS 13 - HB VAL 90 lone 3 99 - 3 - H ASN 80 - HB VAL 76 lone 3 54 - 6 - 3.6/5432=2, 3649/2.1=1 H LEU 86 - HB VAL 76 lone 2 68 - 2 - H LYS 13 - HB VAL 76 lone 1 66 - 2 - H LEU 86 - HB3 MET 11 lone 1 65 - 1 - H ASN 80 - HB3 MET 11 lone 1 52 - 1 - H ALA 12 - HB VAL 76 lone 1 37 - 2 - Peak 3645 from cnoeabs.peaks (4.08, 2.02, 32.55 ppm; 5.64 A): 1 out of 15 assignments used, quality = 1.00: * HA VAL 90 + HB VAL 90 OK 100 100 - 100 - 3.0=100 HA ALA 63 - HB VAL 90 OK 18 93 - 19 - 5370=4, 883/3.9=2...(8) HA VAL 90 - HB VAL 76 OK 17 68 - 24 - 3641=3, 3.0/3644=2...(9) HA VAL 90 - HB3 MET 11 OK 15 65 - 24 - 3641=4, ~968=2...(12) HA ARG 26 - HB VAL 90 OK 14 99 - 14 - 419/4.4=3, 883/3.9=3...(4) HA GLU 25 - HB VAL 90 OK 11 95 - 12 - 419/4.4=4, 883/3.9=2...(4) HA ARG 71 - HB VAL 90 lone 8 100 - 8 - 883/3.9=2 HA ALA 63 - HB VAL 76 poor 6 59 - 11 - ~259=2, ~4682=1, ~3156=1 HA ARG 71 - HB VAL 76 lone 6 68 - 9 - ~5834=2, 5396/4.0=1 HA GLU 25 - HB VAL 76 lone 5 60 - 8 - HA ALA 63 - HB3 MET 11 lone 5 56 - 8 - 4691/743=2, 5370=2 HA ARG 26 - HB3 MET 11 lone 4 63 - 7 - HA ARG 26 - HB VAL 76 lone 3 66 - 5 - HA ARG 71 - HB3 MET 11 lone 3 65 - 4 - HA GLU 25 - HB3 MET 11 lone 2 57 - 4 - Peak 3646 from cnoeabs.peaks (2.02, 2.02, 32.55 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB VAL 90 + HB VAL 90 OK 100 100 - 100 HB3 MET 11 + HB3 MET 11 OK 58 58 - 100 HB VAL 76 - HB VAL 76 OK 39 39 - 100 Peak 3647 from cnoeabs.peaks (0.90, 2.02, 32.55 ppm; 3.50 A): 4 out of 27 assignments used, quality = 1.00: * QG1 VAL 90 + HB VAL 90 OK 100 100 - 100 - 2.1=100 QG2 VAL 90 + HB VAL 90 OK 100 100 - 100 - 2.1=100 QG1 VAL 76 + HB VAL 76 OK 48 48 - 100 - 2.1=100 QG2 VAL 76 + HB VAL 76 OK 48 48 - 100 - 2.1=100 QD1 LEU 29 - HB VAL 90 poor 10 83 - 12 - 3643/3.0=2, ~5348=1...(5) QG2 VAL 76 - HB VAL 90 lone 8 81 - 9 - QG1 VAL 76 - HB VAL 90 lone 8 81 - 9 - QD1 LEU 86 - HB VAL 90 lone 7 96 - 8 - 886/3.9=2, 3643/3.0=2 HG LEU 51 - HB VAL 90 lone 7 99 - 7 - ~2241=1 QG1 VAL 90 - HB3 MET 11 lone 6 65 - 10 - 3.2/3641=1 QG2 VAL 90 - HB3 MET 11 lone 6 65 - 10 - 3.2/3641=1 QG1 VAL 90 - HB VAL 76 lone 6 68 - 9 - QG2 VAL 90 - HB VAL 76 lone 6 68 - 9 - HG12 ILE 68 - HB VAL 76 poor 5 48 - 11 - 5.0/5820=2, 814/4.0=1...(4) HG LEU 51 - HB VAL 76 lone 3 65 - 4 - QD1 LEU 62 - HB VAL 90 lone 2 68 - 3 - HG12 ILE 68 - HB VAL 90 lone 2 81 - 2 - HG12 ILE 68 - HB3 MET 11 lone 2 45 - 4 - QD1 LEU 62 - HB VAL 76 lone 2 39 - 4 - QD1 LEU 29 - HB VAL 76 lone 2 50 - 3 - QD1 LEU 62 - HB3 MET 11 lone 1 37 - 4 - ~5001=1 QD1 LEU 86 - HB VAL 76 lone 1 61 - 2 - HG LEU 51 - HB3 MET 11 lone 1 62 - 1 - QD1 LEU 86 - HB3 MET 11 lone 1 58 - 1 - QG1 VAL 76 - HB3 MET 11 lone 1 45 - 1 - QG2 VAL 76 - HB3 MET 11 lone 1 45 - 1 - QD1 LEU 29 - HB3 MET 11 lone 0 47 - 1 - Peak 3648 from cnoeabs.peaks (0.90, 2.02, 32.55 ppm; 3.50 A): 4 out of 27 assignments used, quality = 1.00: * QG2 VAL 90 + HB VAL 90 OK 100 100 - 100 - 2.1=100 QG1 VAL 90 + HB VAL 90 OK 100 100 - 100 - 2.1=100 QG1 VAL 76 + HB VAL 76 OK 46 46 - 100 - 2.1=100 QG2 VAL 76 + HB VAL 76 OK 46 46 - 100 - 2.1=100 QD1 LEU 29 - HB VAL 90 OK 10 85 - 12 - 3643/3.0=2, ~5348=1...(5) QG2 VAL 76 - HB VAL 90 lone 7 78 - 9 - QG1 VAL 76 - HB VAL 90 lone 7 78 - 9 - QD1 LEU 86 - HB VAL 90 lone 7 97 - 8 - 886/3.9=2, 3643/3.0=2 HG LEU 51 - HB VAL 90 lone 7 99 - 7 - ~2241=1 QG2 VAL 90 - HB3 MET 11 lone 6 65 - 10 - 3.2/3641=1 QG1 VAL 90 - HB3 MET 11 lone 6 65 - 10 - 3.2/3641=1 QG2 VAL 90 - HB VAL 76 lone 6 68 - 9 - QG1 VAL 90 - HB VAL 76 lone 6 68 - 9 - HG12 ILE 68 - HB VAL 76 poor 5 46 - 11 - 5.0/5820=2, 815/4.0=1...(4) HG LEU 51 - HB VAL 76 lone 3 66 - 4 - QD1 LEU 62 - HB VAL 90 lone 2 71 - 3 - QD1 LEU 62 - HB VAL 76 lone 2 41 - 4 - HG12 ILE 68 - HB VAL 90 lone 2 78 - 2 - HG12 ILE 68 - HB3 MET 11 lone 2 44 - 4 - QD1 LEU 29 - HB VAL 76 lone 2 51 - 3 - QD1 LEU 62 - HB3 MET 11 lone 1 39 - 4 - ~5001=1 QD1 LEU 86 - HB VAL 76 lone 1 62 - 2 - HG LEU 51 - HB3 MET 11 lone 1 63 - 1 - QD1 LEU 86 - HB3 MET 11 lone 1 59 - 1 - QG1 VAL 76 - HB3 MET 11 lone 0 44 - 1 - QG2 VAL 76 - HB3 MET 11 lone 0 44 - 1 - QD1 LEU 29 - HB3 MET 11 lone 0 49 - 1 - Peak 3649 from cnoeabs.peaks (8.27, 0.90, 20.53 ppm; 4.23 A): 2 out of 20 assignments used, quality = 1.00: * H VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 4.0=100 H VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 4.0=100 H LEU 86 - QG2 VAL 90 OK 11 100 - 11 - 3639/3.2=3, 3.0/3518=2...(4) H LEU 86 - QG1 VAL 90 OK 11 100 - 11 - 3639/3.2=3, 3.0/3518=2...(4) H VAL 90 - QG1 VAL 76 OK 10 78 - 13 - 885=2, 3644/2.1=2...(5) H VAL 90 - QG2 VAL 76 poor 10 74 - 13 - 885=2, 3644/2.1=2...(5) H ASN 80 - QG1 VAL 76 poor 10 63 - 15 - 4.9/5865=3, 4.9/5865=3...(6) H ASN 80 - QG2 VAL 76 poor 9 60 - 15 - 4.9/5865=3, 4.9/5865=3...(6) H ASN 80 - QG1 VAL 90 lone 5 89 - 6 - H ASN 80 - QG2 VAL 90 lone 5 89 - 6 - H LYS 13 - QG1 VAL 90 lone 3 99 - 3 - H LYS 13 - QG2 VAL 90 lone 3 99 - 3 - H ALA 12 - QG1 VAL 90 lone 3 65 - 4 - 3639/3.2=1 H ALA 12 - QG2 VAL 90 lone 3 65 - 4 - 3639/3.2=1 H LEU 86 - QG1 VAL 76 lone 2 78 - 3 - H LEU 86 - QG2 VAL 76 lone 2 74 - 3 - H LYS 13 - QG1 VAL 76 lone 2 76 - 2 - H LYS 13 - QG2 VAL 76 lone 2 72 - 2 - H ALA 12 - QG1 VAL 76 lone 1 44 - 2 - H ALA 12 - QG2 VAL 76 lone 1 41 - 2 - Peak 3650 from cnoeabs.peaks (4.08, 0.90, 20.53 ppm; 3.79 A): 2 out of 20 assignments used, quality = 1.00: * HA VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 3.2=100 HA VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 3.2=100 HA VAL 90 - QG1 VAL 76 OK 10 78 - 13 - 3642=2, 3642/2.1=1, 3645/2.1=1 HA VAL 90 - QG2 VAL 76 poor 10 74 - 13 - 3642=2, 3642/2.1=1, 3645/2.1=1 HA ALA 63 - QG2 VAL 90 lone 9 93 - 9 - 5370/2.1=2, 883/4.0=1 HA ALA 63 - QG1 VAL 90 lone 9 93 - 9 - 5370/2.1=2, 883/4.0=1 HA ARG 26 - QG2 VAL 90 lone 7 99 - 7 - 419/4.1=2, 883/4.0=1 HA ARG 26 - QG1 VAL 90 lone 7 99 - 7 - 419/4.1=2, 883/4.0=1 HA GLU 25 - QG2 VAL 90 lone 6 94 - 6 - 419/4.1=2, 883/4.0=1 HA GLU 25 - QG1 VAL 90 lone 6 95 - 6 - 419/4.1=2, 883/4.0=1 HA ALA 63 - QG1 VAL 76 lone 5 68 - 7 - HA ARG 71 - QG1 VAL 76 lone 5 78 - 6 - HA ALA 63 - QG2 VAL 76 lone 4 64 - 7 - HA ARG 71 - QG2 VAL 76 lone 4 74 - 6 - HA ARG 71 - QG2 VAL 90 lone 4 100 - 4 - HA ARG 71 - QG1 VAL 90 lone 4 100 - 4 - HA GLU 25 - QG1 VAL 76 lone 3 69 - 4 - HA GLU 25 - QG2 VAL 76 lone 3 66 - 4 - HA ARG 26 - QG1 VAL 76 lone 2 76 - 3 - HA ARG 26 - QG2 VAL 76 lone 2 72 - 3 - Peak 3651 from cnoeabs.peaks (2.02, 0.90, 20.53 ppm; 3.52 A): 3 out of 68 assignments used, quality = 1.00: * HB VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 2.1=100 HB VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 2.1=100 HB VAL 76 + QG1 VAL 76 OK 46 46 - 100 - 2.1=100 HB VAL 76 - QG2 VAL 76 OK 43 43 - 100 - 2.1=100 HD2 ARG 69 - QG1 VAL 76 OK 25 71 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD3 ARG 69 - QG1 VAL 76 OK 25 71 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD2 ARG 69 - QG2 VAL 76 OK 23 67 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD3 ARG 69 - QG2 VAL 76 OK 23 67 - 35 - 813/3.9=3, 4.6/4769=2...(24) HB3 GLN 79 - QG1 VAL 76 OK 21 50 - 42 - ~16044=13, ~6011=4...(15) HB3 GLN 79 - QG2 VAL 76 OK 20 47 - 41 - ~16044=13, ~6011=4...(15) HG2 ARG 66 - QG2 VAL 90 OK 14 99 - 14 - 3641/3.2=2, 5373=1...(4) HG2 ARG 66 - QG1 VAL 90 OK 14 99 - 14 - 3641/3.2=2, 5373/2.1=1...(4) HB3 MET 11 - QG1 VAL 90 poor 10 96 - 10 - 3641/3.2=1 HB3 MET 11 - QG2 VAL 90 poor 10 96 - 10 - 3641/3.2=1 HB VAL 90 - QG1 VAL 76 poor 8 78 - 10 - 3647=1 HB VAL 90 - QG2 VAL 76 poor 8 74 - 10 - 3647=1 HB VAL 76 - QG1 VAL 90 poor 7 68 - 10 - HB VAL 76 - QG2 VAL 90 poor 7 68 - 10 - HG2 ARG 66 - QG1 VAL 76 lone 6 75 - 8 - 2699/3.2=1 HG2 ARG 66 - QG2 VAL 76 lone 6 71 - 8 - 2699/3.2=1 HB3 GLU 50 - QG1 VAL 76 lone 5 54 - 8 - HB2 GLU 50 - QG1 VAL 76 lone 5 54 - 8 - HD3 ARG 69 - QG1 VAL 90 lone 4 96 - 4 - HD2 ARG 69 - QG1 VAL 90 lone 4 96 - 4 - HD3 ARG 69 - QG2 VAL 90 lone 4 96 - 4 - HD2 ARG 69 - QG2 VAL 90 lone 4 96 - 4 - HB2 GLU 50 - QG2 VAL 76 lone 4 51 - 8 - HB3 GLU 50 - QG2 VAL 76 lone 4 51 - 8 - HB3 GLN 91 - QG1 VAL 90 lone 3 78 - 4 - 3641/3.2=2, ~3662=1 HB3 GLN 91 - QG2 VAL 90 lone 3 78 - 4 - 3641/3.2=2, ~3662=1 QE MET 31 - QG1 VAL 76 lone 3 40 - 8 - 5079/3.2=1, 5087/3.9=1 QE MET 31 - QG2 VAL 76 lone 3 38 - 8 - 5079/3.2=1, 5087/3.9=1 HB3 GLN 79 - QG1 VAL 90 lone 3 73 - 4 - HB3 GLN 79 - QG2 VAL 90 lone 3 73 - 4 - HB3 GLU 19 - QG1 VAL 90 lone 3 83 - 3 - 420/4.1=1 HB3 GLU 19 - QG2 VAL 90 lone 3 83 - 3 - 420/4.1=1 HG2 PRO 44 - QG1 VAL 76 lone 3 40 - 6 - HG2 PRO 44 - QG2 VAL 76 lone 2 38 - 6 - HB3 GLU 50 - QG2 VAL 90 lone 2 78 - 3 - HB2 GLU 50 - QG2 VAL 90 lone 2 78 - 3 - HB2 GLU 50 - QG1 VAL 90 lone 2 78 - 3 - HB3 GLU 50 - QG1 VAL 90 lone 2 78 - 3 - HB2 GLU 87 - QG1 VAL 90 lone 2 95 - 2 - HB2 GLU 87 - QG2 VAL 90 lone 2 94 - 2 - HB3 PRO 56 - QG1 VAL 90 lone 2 95 - 2 - HB3 PRO 56 - QG2 VAL 90 lone 2 94 - 2 - HB3 PRO 56 - QG1 VAL 76 lone 2 69 - 3 - 4.0/4597=1 HB3 PRO 56 - QG2 VAL 76 lone 2 66 - 3 - 4.0/4597=1 HG2 PRO 56 - QG1 VAL 90 lone 1 85 - 1 - HG2 PRO 56 - QG2 VAL 90 lone 1 85 - 1 - HB3 GLU 19 - QG1 VAL 76 lone 1 58 - 2 - HB3 GLU 19 - QG2 VAL 76 lone 1 55 - 2 - HG LEU 43 - QG2 VAL 90 lone 1 57 - 2 - HG LEU 43 - QG1 VAL 90 lone 1 57 - 2 - HB2 GLU 87 - QG1 VAL 76 lone 1 69 - 1 - HG LEU 43 - QG1 VAL 76 lone 1 38 - 3 - HG2 PRO 56 - QG1 VAL 76 lone 1 60 - 2 - HB2 GLU 87 - QG2 VAL 76 lone 1 66 - 1 - HG LEU 43 - QG2 VAL 76 lone 1 36 - 3 - HB3 GLN 91 - QG1 VAL 76 lone 1 54 - 2 - HG2 PRO 56 - QG2 VAL 76 lone 1 56 - 2 - HB3 GLN 91 - QG2 VAL 76 lone 1 51 - 2 - QE MET 31 - QG2 VAL 90 lone 1 60 - 1 - QE MET 31 - QG1 VAL 90 lone 1 60 - 1 - HB3 MET 11 - QG1 VAL 76 lone 1 71 - 1 - HB3 MET 11 - QG2 VAL 76 lone 1 67 - 1 - HG2 PRO 44 - QG1 VAL 90 lone 1 60 - 1 - HG2 PRO 44 - QG2 VAL 90 lone 1 60 - 1 - Peak 3652 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 56 56 - 100 QG2 VAL 76 + QG2 VAL 76 OK 53 53 - 100 Peak 3653 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 54 54 - 100 QG2 VAL 76 + QG2 VAL 76 OK 51 51 - 100 Reference assignment not found: QG2 VAL 90 - QG1 VAL 90 Peak 3654 from cnoeabs.peaks (8.27, 0.90, 20.53 ppm; 4.23 A): 2 out of 20 assignments used, quality = 1.00: * H VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 4.0=100 H VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 4.0=100 H LEU 86 - QG2 VAL 90 OK 11 100 - 11 - 3639/3.2=3, 3.0/3518=2...(4) H LEU 86 - QG1 VAL 90 OK 11 100 - 11 - 3639/3.2=3, 3.0/3518=2...(4) H VAL 90 - QG1 VAL 76 poor 10 76 - 13 - 885=2, 3644/2.1=2...(5) H VAL 90 - QG2 VAL 76 poor 9 72 - 13 - 885=2, 3644/2.1=2...(5) H ASN 80 - QG1 VAL 76 poor 9 61 - 15 - 4.9/5865=3, 4.9/5865=3...(6) H ASN 80 - QG2 VAL 76 poor 9 58 - 15 - 4.9/5865=3, 4.9/5865=3...(6) H ASN 80 - QG1 VAL 90 lone 5 89 - 6 - H ASN 80 - QG2 VAL 90 lone 5 89 - 6 - H LYS 13 - QG2 VAL 90 lone 3 99 - 3 - H LYS 13 - QG1 VAL 90 lone 3 99 - 3 - H ALA 12 - QG2 VAL 90 lone 3 65 - 4 - 3639/3.2=1 H ALA 12 - QG1 VAL 90 lone 3 65 - 4 - 3639/3.2=1 H LEU 86 - QG1 VAL 76 lone 2 76 - 3 - H LEU 86 - QG2 VAL 76 lone 2 72 - 3 - H LYS 13 - QG1 VAL 76 lone 2 73 - 2 - H LYS 13 - QG2 VAL 76 lone 2 70 - 2 - H ALA 12 - QG1 VAL 76 lone 1 42 - 2 - H ALA 12 - QG2 VAL 76 lone 1 40 - 2 - Peak 3655 from cnoeabs.peaks (4.08, 0.90, 20.53 ppm; 3.79 A): 2 out of 20 assignments used, quality = 1.00: * HA VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 3.2=100 HA VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 3.2=100 HA VAL 90 - QG1 VAL 76 OK 10 76 - 13 - 3642=2, 3642/2.1=1, 3645/2.1=1 HA VAL 90 - QG2 VAL 76 poor 10 72 - 13 - 3642=2, 3642/2.1=1, 3645/2.1=1 HA ALA 63 - QG2 VAL 90 lone 9 93 - 9 - 5370/2.1=2, 883/4.0=1 HA ALA 63 - QG1 VAL 90 lone 9 93 - 9 - 5370/2.1=2, 883/4.0=1 HA ARG 26 - QG2 VAL 90 lone 7 99 - 7 - 419/4.1=2, 883/4.0=1 HA ARG 26 - QG1 VAL 90 lone 7 99 - 7 - 419/4.1=2, 883/4.0=1 HA GLU 25 - QG2 VAL 90 lone 6 95 - 6 - 419/4.1=2, 883/4.0=1 HA GLU 25 - QG1 VAL 90 lone 6 94 - 6 - 419/4.1=2, 883/4.0=1 HA ALA 63 - QG1 VAL 76 lone 4 66 - 7 - HA ARG 71 - QG1 VAL 76 lone 4 76 - 6 - HA ALA 63 - QG2 VAL 76 lone 4 62 - 7 - HA ARG 71 - QG2 VAL 76 lone 4 72 - 6 - HA ARG 71 - QG2 VAL 90 lone 4 100 - 4 - HA ARG 71 - QG1 VAL 90 lone 4 100 - 4 - HA GLU 25 - QG1 VAL 76 lone 3 67 - 4 - HA GLU 25 - QG2 VAL 76 lone 3 63 - 4 - HA ARG 26 - QG1 VAL 76 lone 2 73 - 3 - HA ARG 26 - QG2 VAL 76 lone 2 70 - 3 - Peak 3656 from cnoeabs.peaks (2.02, 0.90, 20.53 ppm; 3.52 A): 2 out of 68 assignments used, quality = 1.00: * HB VAL 90 + QG2 VAL 90 OK 100 100 - 100 - 2.1=100 HB VAL 90 + QG1 VAL 90 OK 100 100 - 100 - 2.1=100 HB VAL 76 - QG1 VAL 76 OK 44 44 - 100 - 2.1=100 HB VAL 76 - QG2 VAL 76 OK 42 42 - 100 - 2.1=100 HD3 ARG 69 - QG1 VAL 76 OK 24 68 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD2 ARG 69 - QG1 VAL 76 OK 24 68 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD3 ARG 69 - QG2 VAL 76 OK 22 65 - 35 - 813/3.9=3, 4.6/4769=2...(24) HD2 ARG 69 - QG2 VAL 76 OK 22 65 - 35 - 813/3.9=3, 4.6/4769=2...(24) HB3 GLN 79 - QG1 VAL 76 OK 20 48 - 41 - ~16044=13, ~6011=4...(15) HB3 GLN 79 - QG2 VAL 76 OK 19 45 - 41 - ~16044=13, ~6011=4...(15) HG2 ARG 66 - QG2 VAL 90 OK 14 99 - 14 - 3641/3.2=2, 5373=1...(4) HG2 ARG 66 - QG1 VAL 90 OK 14 99 - 14 - 3641/3.2=2, 5373/2.1=1...(4) HB3 MET 11 - QG2 VAL 90 poor 10 96 - 10 - 3641/3.2=1 HB3 MET 11 - QG1 VAL 90 poor 10 96 - 10 - 3641/3.2=1 HB VAL 90 - QG1 VAL 76 poor 8 76 - 10 - 3647=1 HB VAL 90 - QG2 VAL 76 poor 8 72 - 10 - 3647=1 HB VAL 76 - QG2 VAL 90 poor 7 68 - 10 - HB VAL 76 - QG1 VAL 90 poor 7 68 - 10 - HG2 ARG 66 - QG1 VAL 76 lone 6 73 - 8 - 2699/3.2=1 HG2 ARG 66 - QG2 VAL 76 lone 6 69 - 8 - 2699/3.2=1 HD2 ARG 69 - QG1 VAL 90 lone 4 96 - 4 - HD3 ARG 69 - QG1 VAL 90 lone 4 96 - 4 - HB3 GLU 50 - QG1 VAL 76 lone 4 52 - 8 - HB2 GLU 50 - QG1 VAL 76 lone 4 52 - 8 - HD3 ARG 69 - QG2 VAL 90 lone 4 96 - 4 - HD2 ARG 69 - QG2 VAL 90 lone 4 96 - 4 - HB2 GLU 50 - QG2 VAL 76 lone 4 49 - 8 - HB3 GLU 50 - QG2 VAL 76 lone 4 49 - 8 - HB3 GLN 91 - QG2 VAL 90 lone 3 78 - 4 - 3641/3.2=2, ~3662=1 HB3 GLN 91 - QG1 VAL 90 lone 3 78 - 4 - 3641/3.2=2, ~3662=1 QE MET 31 - QG1 VAL 76 lone 3 38 - 8 - 5079/3.2=1, 5087/3.9=1 QE MET 31 - QG2 VAL 76 lone 3 36 - 8 - 5079/3.2=1, 5087/3.9=1 HB3 GLN 79 - QG1 VAL 90 lone 3 73 - 4 - HB3 GLN 79 - QG2 VAL 90 lone 3 73 - 4 - HB3 GLU 19 - QG2 VAL 90 lone 3 83 - 3 - 420/4.1=1 HB3 GLU 19 - QG1 VAL 90 lone 3 83 - 3 - 420/4.1=1 HG2 PRO 44 - QG1 VAL 76 lone 2 38 - 6 - HB3 GLU 50 - QG2 VAL 90 lone 2 78 - 3 - HB2 GLU 50 - QG2 VAL 90 lone 2 78 - 3 - HB3 GLU 50 - QG1 VAL 90 lone 2 78 - 3 - HB2 GLU 50 - QG1 VAL 90 lone 2 78 - 3 - HB2 GLU 87 - QG2 VAL 90 lone 2 95 - 2 - HB2 GLU 87 - QG1 VAL 90 lone 2 94 - 2 - HG2 PRO 44 - QG2 VAL 76 lone 2 36 - 6 - HB3 PRO 56 - QG1 VAL 90 lone 2 94 - 2 - HB3 PRO 56 - QG2 VAL 90 lone 2 95 - 2 - HB3 PRO 56 - QG1 VAL 76 lone 2 67 - 3 - 4.0/4597=1 HB3 PRO 56 - QG2 VAL 76 lone 2 63 - 3 - 4.0/4597=1 HG2 PRO 56 - QG1 VAL 90 lone 1 85 - 1 - HG2 PRO 56 - QG2 VAL 90 lone 1 85 - 1 - HB3 GLU 19 - QG1 VAL 76 lone 1 56 - 2 - HG LEU 43 - QG2 VAL 90 lone 1 57 - 2 - HG LEU 43 - QG1 VAL 90 lone 1 57 - 2 - HB3 GLU 19 - QG2 VAL 76 lone 1 53 - 2 - HB2 GLU 87 - QG1 VAL 76 lone 1 67 - 1 - HG LEU 43 - QG1 VAL 76 lone 1 37 - 3 - HG2 PRO 56 - QG1 VAL 76 lone 1 58 - 2 - HB2 GLU 87 - QG2 VAL 76 lone 1 63 - 1 - HB3 GLN 91 - QG1 VAL 76 lone 1 52 - 2 - HG2 PRO 56 - QG2 VAL 76 lone 1 54 - 2 - HG LEU 43 - QG2 VAL 76 lone 1 34 - 3 - QE MET 31 - QG2 VAL 90 lone 1 60 - 1 - QE MET 31 - QG1 VAL 90 lone 1 60 - 1 - HB3 GLN 91 - QG2 VAL 76 lone 1 49 - 2 - HB3 MET 11 - QG1 VAL 76 lone 1 68 - 1 - HB3 MET 11 - QG2 VAL 76 lone 1 65 - 1 - HG2 PRO 44 - QG2 VAL 90 lone 1 60 - 1 - HG2 PRO 44 - QG1 VAL 90 lone 1 60 - 1 - Peak 3657 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 54 54 - 100 QG2 VAL 76 + QG2 VAL 76 OK 51 51 - 100 Reference assignment not found: QG1 VAL 90 - QG2 VAL 90 Peak 3658 from cnoeabs.peaks (0.90, 0.90, 20.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QG2 VAL 90 + QG2 VAL 90 OK 100 100 - 100 QG1 VAL 90 + QG1 VAL 90 OK 100 100 - 100 QG1 VAL 76 + QG1 VAL 76 OK 52 52 - 100 QG2 VAL 76 + QG2 VAL 76 OK 49 49 - 100 Peak 3659 from cnoeabs.peaks (8.03, 4.13, 57.16 ppm; 5.72 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 91 + HA GLN 91 OK 100 100 - 100 - 2.9=100 H ARG 82 - HA GLN 91 lone 4 92 - 4 - H TYR 81 - HA GLN 91 lone 3 89 - 3 - Peak 3660 from cnoeabs.peaks (4.13, 4.13, 57.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 91 + HA GLN 91 OK 100 100 - 100 Peak 3661 from cnoeabs.peaks (1.90, 4.13, 57.16 ppm; 4.26 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLN 91 + HA GLN 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 87 - HA GLN 91 OK 27 97 - 28 - 3668=5, 1.8/3662=5...(11) HB2 GLU 19 - HA GLN 91 OK 25 95 - 26 - 889/2.9=5, 1.8/3662=4...(6) HB3 ARG 26 - HA GLN 91 OK 12 90 - 13 - 3.9/5345=2, 889/2.9=2...(6) HB2 ARG 26 - HA GLN 91 OK 12 89 - 13 - 3.9/5345=2, 889/2.9=1...(6) HB3 PRO 14 - HA GLN 91 lone 5 97 - 5 - ~5905=2 HB3 PRO 34 - HA GLN 91 lone 4 76 - 5 - HB2 MET 11 - HA GLN 91 lone 4 96 - 4 - HB ILE 68 - HA GLN 91 lone 3 100 - 3 - HB2 ARG 66 - HA GLN 91 lone 2 81 - 3 - HG12 ILE 40 - HA GLN 91 lone 2 99 - 2 - HG13 ILE 68 - HA GLN 91 lone 2 65 - 3 - Peak 3662 from cnoeabs.peaks (2.04, 4.13, 57.16 ppm; 4.45 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLN 91 + HA GLN 91 OK 100 100 - 100 - 3.0=100 HB2 GLU 87 - HA GLN 91 OK 30 98 - 31 - 3676=6, 1.8/3661=6...(11) HB3 GLU 19 - HA GLN 91 OK 29 100 - 29 - 1.8/3661=5, ~5905=4...(6) HB VAL 90 - HA GLN 91 OK 26 78 - 33 - ~4044=18, ~419=15, ~3641=2 HB2 GLU 25 - HA GLN 91 OK 13 95 - 13 - ~5905=4, 4.7/5345=2...(5) HB3 GLU 25 - HA GLN 91 OK 13 93 - 13 - ~5905=4, 4.7/5345=2...(5) HB VAL 76 - HA GLN 91 lone 5 100 - 5 - 5448/2.9=2 HB3 GLU 50 - HA GLN 91 lone 4 100 - 4 - HB2 GLU 50 - HA GLN 91 lone 4 100 - 4 - HD3 ARG 69 - HA GLN 91 lone 3 97 - 3 - HD2 ARG 69 - HA GLN 91 lone 3 97 - 3 - HB3 PRO 56 - HA GLN 91 lone 2 98 - 2 - HG2 PRO 56 - HA GLN 91 lone 2 100 - 2 - HB3 MET 31 - HA GLN 91 lone 2 57 - 3 - HG2 PRO 44 - HA GLN 91 lone 2 99 - 2 - HB VAL 45 - HA GLN 91 lone 1 71 - 1 - Peak 3667 from cnoeabs.peaks (8.03, 1.90, 30.42 ppm; 4.68 A): 1 out of 12 assignments used, quality = 1.00: * H GLN 91 + HB2 GLN 91 OK 100 100 - 100 - 3.6=100 H GLN 91 - HB2 GLU 19 OK 19 55 - 35 - 5905/3.0=9, 5905/3.0=9...(7) H GLN 91 - HB3 GLU 87 OK 17 89 - 19 - 2.9/3661=5, 889=4...(6) H TYR 81 - HB3 PRO 34 poor 6 57 - 11 - 5470/3.0=4, ~6058=2...(6) H ARG 82 - HB3 PRO 34 lone 5 60 - 9 - 5476/1.8=2, 5476/2.3=2 H GLN 91 - HB3 PRO 34 lone 2 71 - 3 - H ARG 82 - HB2 GLN 91 lone 2 92 - 2 - H TYR 81 - HB2 GLN 91 lone 2 89 - 2 - H ARG 82 - HB3 GLU 87 lone 1 77 - 2 - H TYR 81 - HB3 GLU 87 lone 1 73 - 1 - H ARG 82 - HB2 GLU 19 lone 1 45 - 2 - H TYR 81 - HB2 GLU 19 lone 1 43 - 1 - Peak 3668 from cnoeabs.peaks (4.13, 1.90, 30.42 ppm; 3.86 A): 1 out of 28 assignments used, quality = 1.00: * HA GLN 91 + HB2 GLN 91 OK 100 100 - 100 - 3.0=100 HA GLN 91 - HB3 GLU 87 OK 21 89 - 23 - 3661=5, 3662/1.8=4...(6) HA GLN 91 - HB2 GLU 19 OK 12 55 - 23 - 3661=5, 2.9/889=4...(6) HB THR 88 - HB3 GLU 87 lone 5 78 - 7 - 3.9/4032=4 HA ARG 27 - HB3 PRO 34 lone 5 55 - 9 - HB THR 88 - HB2 GLU 19 poor 5 46 - 10 - 3.9/5901=3, ~5517=1, 3590/3.0=1 HA ARG 27 - HB3 GLU 87 lone 4 71 - 6 - 5341/4.6=3 HA ASN 49 - HB2 GLN 91 lone 4 100 - 4 - HB THR 88 - HB2 GLN 91 lone 4 93 - 4 - 3.9/5901=1 HA ALA 30 - HB2 GLN 91 lone 4 100 - 4 - HA GLN 91 - HB3 PRO 34 lone 3 71 - 4 - HA ARG 27 - HB2 GLN 91 lone 3 87 - 4 - HA ARG 23 - HB3 GLU 87 lone 2 86 - 3 - 5341/4.6=1 HA ALA 30 - HB3 GLU 87 lone 2 88 - 2 - HA ARG 23 - HB2 GLN 91 lone 2 99 - 2 - HA LEU 29 - HB2 GLN 91 lone 2 65 - 3 - HA ASN 49 - HB3 GLU 87 lone 2 87 - 2 - HA ALA 30 - HB3 PRO 34 lone 1 71 - 2 - HA ARG 27 - HB2 GLU 19 lone 1 41 - 4 - HA ASN 49 - HB3 PRO 34 lone 1 70 - 2 - ~4481=1 HA ARG 23 - HB3 PRO 34 lone 1 68 - 2 - HA ARG 23 - HB2 GLU 19 lone 1 52 - 2 - HA LEU 29 - HB3 PRO 34 lone 1 39 - 3 - HA LEU 29 - HB3 GLU 87 lone 1 52 - 2 - HA ALA 30 - HB2 GLU 19 lone 1 54 - 2 - HA ASN 49 - HB2 GLU 19 lone 1 53 - 1 - HB THR 88 - HB3 PRO 34 lone 0 61 - 1 - HA LEU 29 - HB2 GLU 19 lone 0 29 - 2 - Peak 3669 from cnoeabs.peaks (1.90, 1.90, 30.42 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLN 91 + HB2 GLN 91 OK 100 100 - 100 HB3 GLU 87 + HB3 GLU 87 OK 82 82 - 100 HB2 GLU 19 + HB2 GLU 19 OK 47 47 - 100 HB3 PRO 34 + HB3 PRO 34 OK 46 46 - 100 Peak 3670 from cnoeabs.peaks (2.04, 1.90, 30.42 ppm; 2.40 A): 3 out of 64 assignments used, quality = 1.00: * HB3 GLN 91 + HB2 GLN 91 OK 100 100 - 100 - 1.8=100 HB2 GLU 87 + HB3 GLU 87 OK 84 84 - 100 - 1.8=100 HB3 GLU 19 + HB2 GLU 19 OK 54 54 - 100 - 1.8=100 HB3 GLU 19 - HB3 GLU 87 OK 25 88 - 28 - 1220=4, 3557/3.0=3...(10) HB2 GLU 87 - HB2 GLU 19 OK 14 51 - 28 - 3564=3, 1209/3.0=2...(11) HB3 GLU 50 - HB3 GLU 87 lone 8 89 - 9 - 2190/3.0=1, 2190/3.0=1 HB2 GLU 50 - HB3 GLU 87 lone 8 89 - 9 - 2190/3.0=1, 2190/3.0=1 HB3 GLN 91 - HB3 GLU 87 lone 8 89 - 9 - 3677=1, 3.0/3661=1 HB2 GLU 87 - HB2 GLN 91 lone 8 98 - 8 - 3677=1 HB3 GLU 19 - HB2 GLN 91 lone 6 100 - 6 - HB3 GLN 91 - HB2 GLU 19 lone 4 55 - 7 - 3.6/889=1, 3.0/3661=1 HB2 GLU 50 - HB2 GLU 19 lone 2 55 - 4 - HB3 GLU 50 - HB2 GLU 19 lone 2 55 - 4 - HB2 GLU 87 - HB3 PRO 34 lone 2 67 - 3 - HB2 GLU 25 - HB2 GLN 91 lone 2 95 - 2 - HB2 GLU 25 - HB2 GLU 19 lone 2 47 - 4 - HB3 GLU 25 - HB2 GLN 91 lone 2 93 - 2 - HB3 GLU 25 - HB2 GLU 19 lone 2 46 - 4 - HB VAL 90 - HB2 GLN 91 lone 1 78 - 2 - HB3 GLN 91 - HB3 PRO 34 lone 1 71 - 2 - HB2 GLU 25 - HB3 GLU 87 lone 1 80 - 1 - HB3 GLU 25 - HB3 GLU 87 lone 1 78 - 1 - HD3 ARG 69 - HB3 GLU 87 lone 1 83 - 1 - HD2 ARG 69 - HB3 GLU 87 lone 1 83 - 1 - HB3 PRO 56 - HB3 GLU 87 lone 1 84 - 1 - HD3 ARG 69 - HB2 GLU 19 lone 1 50 - 2 - HD2 ARG 69 - HB2 GLU 19 lone 1 50 - 2 - HB VAL 90 - HB3 GLU 87 lone 1 63 - 1 - HG2 PRO 56 - HB3 GLU 87 lone 1 88 - 1 - HB3 GLU 50 - HB2 GLN 91 lone 1 100 - 1 - HB2 GLU 50 - HB2 GLN 91 lone 1 100 - 1 - HB VAL 76 - HB2 GLN 91 lone 1 100 - 1 - HD3 ARG 69 - HB2 GLN 91 lone 1 97 - 1 - HD2 ARG 69 - HB2 GLN 91 lone 1 97 - 1 - HB3 PRO 56 - HB2 GLN 91 lone 1 98 - 1 - HB VAL 76 - HB3 GLU 87 lone 1 88 - 1 - HB VAL 90 - HB2 GLU 19 lone 1 36 - 2 - HG2 PRO 56 - HB2 GLN 91 lone 0 100 - 0 - HG2 PRO 44 - HB3 GLU 87 lone 0 86 - 1 - HG2 PRO 44 - HB2 GLN 91 lone 0 99 - 0 - HB VAL 76 - HB2 GLU 19 lone 0 54 - 1 - HD3 ARG 69 - HB3 PRO 34 lone 0 66 - 1 - HD2 ARG 69 - HB3 PRO 34 lone 0 66 - 1 - HB3 PRO 56 - HB2 GLU 19 lone 0 51 - 1 - HB2 GLU 25 - HB3 PRO 34 lone 0 62 - 1 - HB3 GLU 25 - HB3 PRO 34 lone 0 61 - 1 - HG2 PRO 56 - HB2 GLU 19 lone 0 54 - 1 - HG2 PRO 44 - HB2 GLU 19 lone 0 52 - 1 - HB3 GLU 19 - HB3 PRO 34 lone 0 71 - 0 - HB3 MET 31 - HB2 GLN 91 lone 0 57 - 0 - HB VAL 45 - HB2 GLN 91 lone 0 71 - 0 - HG2 PRO 56 - HB3 PRO 34 lone 0 70 - 0 - HB3 GLU 50 - HB3 PRO 34 lone 0 71 - 0 - HB2 GLU 50 - HB3 PRO 34 lone 0 71 - 0 - HB VAL 76 - HB3 PRO 34 lone 0 70 - 0 - HB3 MET 31 - HB3 GLU 87 lone 0 45 - 0 - HB3 PRO 56 - HB3 PRO 34 lone 0 67 - 0 - HG2 PRO 44 - HB3 PRO 34 lone 0 68 - 0 - HB VAL 90 - HB3 PRO 34 lone 0 48 - 0 - HB VAL 45 - HB3 GLU 87 lone 0 56 - 0 - HB VAL 45 - HB2 GLU 19 lone 0 32 - 0 - HB3 MET 31 - HB2 GLU 19 lone 0 25 - 0 - HB VAL 45 - HB3 PRO 34 lone 0 43 - 0 - HB3 MET 31 - HB3 PRO 34 lone 0 34 - 0 - Peak 3676 from cnoeabs.peaks (4.13, 2.04, 30.42 ppm; 4.64 A): 1 out of 21 assignments used, quality = 1.00: * HA GLN 91 + HB3 GLN 91 OK 100 100 - 100 - 3.0=100 HA GLN 91 - HB2 GLU 87 OK 30 91 - 33 - 3662=6, 3661/1.8=6...(12) HA GLN 91 - HB3 GLU 19 OK 20 62 - 32 - 3662=6, 3661/1.8=5...(6) HB THR 88 - HB3 GLU 19 poor 8 53 - 15 - 3.9/5275=4, ~5517=2...(7) HA ARG 27 - HB2 GLU 87 lone 7 73 - 10 - 5341/4.6=5, 3.0/5522=1 HA ASN 49 - HB3 GLN 91 lone 7 100 - 7 - 6074/3.6=1 HB THR 88 - HB3 GLN 91 lone 6 93 - 6 - 3.9/5275=2 HA ALA 30 - HB3 GLN 91 lone 6 100 - 5 - HA ARG 27 - HB3 GLN 91 lone 5 87 - 6 - HA ASN 49 - HB2 GLU 87 lone 5 89 - 5 - 3.6/653=2 HB THR 88 - HB2 GLU 87 lone 4 80 - 5 - 3668/1.8=1 HA ARG 23 - HB2 GLU 87 lone 4 88 - 4 - 5341/4.6=2 HA ARG 23 - HB3 GLN 91 lone 3 99 - 3 - HA ALA 30 - HB2 GLU 87 lone 3 90 - 3 - HA ARG 27 - HB3 GLU 19 lone 3 48 - 6 - HA LEU 29 - HB3 GLN 91 lone 2 65 - 3 - HA ARG 23 - HB3 GLU 19 lone 2 60 - 3 - HA ASN 49 - HB3 GLU 19 lone 2 61 - 3 - HA ALA 30 - HB3 GLU 19 lone 1 62 - 2 - HA LEU 29 - HB2 GLU 87 lone 1 54 - 2 - HA LEU 29 - HB3 GLU 19 lone 1 34 - 2 - Peak 3677 from cnoeabs.peaks (1.90, 2.04, 30.42 ppm; 2.40 A): 3 out of 36 assignments used, quality = 1.00: * HB2 GLN 91 + HB3 GLN 91 OK 100 100 - 100 - 1.8=100 HB3 GLU 87 + HB2 GLU 87 OK 84 84 - 100 - 1.8=100 HB2 GLU 19 + HB3 GLU 19 OK 54 54 - 100 - 1.8=100 HB2 GLU 19 - HB2 GLU 87 OK 22 82 - 28 - 1215=3, 3568/3.0=2...(8) HB3 GLU 87 - HB3 GLU 19 OK 15 57 - 28 - 3670=3, 3.0/3557=3...(8) HB3 GLU 87 - HB3 GLN 91 lone 8 97 - 9 - 3670=1, 3661/3.0=1 HB2 GLN 91 - HB2 GLU 87 lone 7 91 - 8 - 3670=1 HB2 GLU 19 - HB3 GLN 91 lone 6 95 - 7 - 889/3.6=1, 3661/3.0=1 HB ILE 68 - HB2 GLU 87 lone 6 91 - 6 - 2749/4.0=2 HB2 GLN 91 - HB3 GLU 19 lone 4 62 - 6 - HB ILE 68 - HB3 GLU 19 lone 3 62 - 5 - 2749/4.6=1 HB3 ARG 26 - HB3 GLN 91 lone 3 90 - 3 - HG13 ILE 68 - HB2 GLU 87 lone 3 54 - 5 - 868/4.0=1 HB2 ARG 26 - HB3 GLN 91 lone 3 89 - 3 - HB3 PRO 34 - HB2 GLU 87 lone 2 63 - 3 - HB3 ARG 26 - HB2 GLU 87 lone 2 77 - 2 - HB2 ARG 26 - HB2 GLU 87 lone 1 75 - 2 - HG13 ILE 68 - HB3 GLU 19 lone 1 34 - 4 - HG12 ILE 40 - HB2 GLU 87 lone 1 87 - 1 - HB3 PRO 34 - HB3 GLN 91 lone 1 76 - 2 - HB2 MET 11 - HB2 GLU 87 lone 1 83 - 1 - HB3 PRO 14 - HB3 GLN 91 lone 1 97 - 1 - HG12 ILE 40 - HB3 GLU 19 lone 1 59 - 2 - HB ILE 68 - HB3 GLN 91 lone 1 100 - 1 - HB3 ARG 26 - HB3 GLU 19 lone 1 51 - 2 - HB2 ARG 26 - HB3 GLU 19 lone 1 49 - 2 - HB2 MET 11 - HB3 GLN 91 lone 1 96 - 1 - HG12 ILE 40 - HB3 GLN 91 lone 1 99 - 1 - HB3 PRO 14 - HB2 GLU 87 lone 1 85 - 1 - HG13 ILE 68 - HB3 GLN 91 lone 1 65 - 1 - HB2 ARG 66 - HB3 GLN 91 lone 0 81 - 1 - HB3 PRO 14 - HB3 GLU 19 lone 0 57 - 1 - HB2 ARG 66 - HB2 GLU 87 lone 0 67 - 0 - HB2 MET 11 - HB3 GLU 19 lone 0 55 - 0 - HB2 ARG 66 - HB3 GLU 19 lone 0 43 - 0 - HB3 PRO 34 - HB3 GLU 19 lone 0 40 - 0 - Peak 3678 from cnoeabs.peaks (2.04, 2.04, 30.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 91 + HB3 GLN 91 OK 100 100 - 100 HB2 GLU 87 + HB2 GLU 87 OK 86 86 - 100 HB3 GLU 19 + HB3 GLU 19 OK 62 62 - 100 Peak 3699 from cnoeabs.peaks (8.24, 4.38, 55.13 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 - 100 - 3.6=100 H VAL 90 - HA MET 11 lone 4 65 - 5 - 2=1, 3.9/968=1 H GLN 79 - HA MET 11 lone 1 76 - 1 - H ALA 77 - HA MET 11 lone 1 95 - 1 - H ALA 28 - HA MET 11 lone 1 68 - 1 - H LEU 86 - HA MET 11 lone 1 68 - 1 - H SER 22 - HA MET 11 lone 0 63 - 1 - Peak 3704 from cnoeabs.peaks (8.27, 4.26, 52.27 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.93: * H LYS 13 + HA ALA 12 OK 93 100 - 93 - 3.6=93 H LEU 86 - HA ALA 12 lone 3 99 - 3 - 3705/2.1=1 H VAL 90 - HA ALA 12 lone 2 99 - 2 - H ASN 80 - HA ALA 12 lone 1 97 - 1 - Peak 3705 from cnoeabs.peaks (8.27, 1.33, 19.07 ppm; 4.53 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 13 + QB ALA 12 OK 100 100 - 100 - 3.6=100 H LEU 86 - QB ALA 12 lone 6 99 - 6 - 989/4.9=2, 3704/2.1=1 H VAL 90 - QB ALA 12 lone 5 99 - 5 - 989/4.9=1, 3704/2.1=1 H LEU 86 - QB ALA 16 lone 4 62 - 7 - 859/2.1=2, 859/5.0=1, ~481=1 H LYS 13 - QB ALA 16 lone 3 65 - 4 - 3.6/985=1 H ASN 80 - QB ALA 12 lone 2 97 - 2 - H ASN 80 - QB ALA 16 lone 1 61 - 2 - H VAL 90 - QB ALA 16 lone 1 63 - 2 - Peak 3708 from cnoeabs.peaks (8.20, 4.45, 63.04 ppm; 3.60 A): 1 out of 8 assignments used, quality = 1.00: * H THR 15 + HA PRO 14 OK 100 100 - 100 - 3.6=100 H SER 22 - HA PRO 14 OK 24 99 - 25 - 504=6, ~5500=4...(8) H GLU 25 - HA PRO 14 OK 15 100 - 15 - 523/2.3=5, 5.0/1094=3...(4) H GLN 79 - HA PRO 14 lone 3 96 - 3 - H ALA 28 - HA PRO 14 lone 3 98 - 3 - H ARG 27 - HA PRO 14 lone 3 68 - 4 - H ARG 84 - HA PRO 14 lone 2 100 - 2 - H ALA 77 - HA PRO 14 lone 1 78 - 1 - Peak 3713 from cnoeabs.peaks (8.36, 4.25, 61.70 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 16 + HA THR 15 OK 100 100 - 100 - 3.6=100 H ASP 24 - HA THR 15 lone 7 90 - 8 - 4.6/1128=2, 5332/3.0=2...(4) H VAL 65 - HA THR 15 lone 5 60 - 7 - H ARG 17 - HA THR 15 lone 3 76 - 5 - 3.6/987=3 Peak 3715 from cnoeabs.peaks (8.36, 1.19, 21.44 ppm; 6.44 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 16 + QG2 THR 15 OK 100 100 - 100 - 4.2=100 H ASP 24 - QG2 THR 15 OK 15 90 - 17 - 4.6/1136=5, 5332/2.1=4...(4) H VAL 65 - QG2 THR 15 poor 7 60 - 12 - 3.6/1137=3, 5332/2.1=2 H ARG 17 - QG2 THR 15 lone 5 76 - 6 - 3713/3.2=2, 5332/2.1=1 Peak 3716 from cnoeabs.peaks (8.38, 4.31, 52.27 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 17 + HA ALA 16 OK 100 100 - 100 - 3.6=100 H ALA 16 + HA ALA 16 OK 76 76 - 100 - 2.9=100 H GLY 18 - HA ALA 16 OK 14 73 - 19 - 4.7/22=16 H GLY 21 - HA ALA 16 lone 3 98 - 3 - 3.6/1142=1 H VAL 65 - HA ALA 16 lone 1 99 - 1 - Peak 3717 from cnoeabs.peaks (8.38, 1.36, 19.09 ppm; 4.05 A): 3 out of 20 assignments used, quality = 1.00: * H ARG 17 + QB ALA 16 OK 100 100 - 100 - 3.6=100 H ALA 16 + QB ALA 16 OK 76 76 - 100 - 2.9=100 H GLY 21 + QB ALA 20 OK 51 51 - 100 - 3.6=100 H GLY 21 - QB ALA 77 poor 9 59 - 15 - 34=4, 33/2.1=2...(7) H GLY 18 - QB ALA 16 poor 9 73 - 12 - 3.6/5486=8, 3716/2.1=3 H ARG 17 - QB ALA 20 poor 8 55 - 14 - 23=4, 3725/2.1=3...(5) H GLY 21 - QB ALA 16 lone 6 98 - 6 - 34=1 H VAL 65 - QB ALA 20 poor 5 53 - 10 - 3725/2.1=3, 4720/4.8=2...(4) H GLY 18 - QB ALA 20 poor 4 33 - 13 - 3725/2.1=4, ~5494=2...(5) H VAL 65 - QB ALA 16 lone 4 99 - 4 - 265/5.0=1 H ALA 16 - QB ALA 20 poor 4 35 - 11 - 482=2, 2.9/1142=2...(4) H ARG 17 - QB ALA 77 lone 3 63 - 5 - 23=1, 3.6/1142=1 H ARG 17 - QB ALA 12 lone 3 65 - 4 - H ALA 16 - QB ALA 77 lone 3 41 - 7 - 482=2, 2.9/1142=1, 18/2.1=1 H ALA 16 - QB ALA 12 lone 3 42 - 6 - 482=1 H VAL 65 - QB ALA 12 lone 1 64 - 2 - H GLY 18 - QB ALA 77 lone 1 39 - 3 - H VAL 65 - QB ALA 77 lone 1 61 - 2 - H GLY 21 - QB ALA 12 lone 1 61 - 2 - H GLY 18 - QB ALA 12 lone 1 41 - 2 - Peak 3718 from cnoeabs.peaks (8.32, 3.93, 45.09 ppm; 4.36 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 19 + HA2 GLY 18 OK 100 100 - 100 - 3.6=100 H GLU 19 + HA3 GLY 18 OK 100 100 - 100 - 3.6=100 H GLU 19 - HA3 GLY 21 lone 6 67 - 9 - ~33=1, 25=1, 25/1.8=1 H GLU 19 - HA2 GLY 21 lone 6 65 - 9 - ~33=1, 25=1, 25/1.8=1 H ASP 24 - HA3 GLY 21 lone 4 58 - 7 - 903/3.5=4 H ASP 24 - HA2 GLY 21 lone 4 56 - 7 - 903/3.5=4 H ASP 24 - HA3 GLY 18 lone 2 93 - 2 - H ASP 24 - HA2 GLY 18 lone 2 93 - 2 - H LYS 83 - HA3 GLY 21 lone 2 62 - 3 - H LYS 83 - HA2 GLY 21 lone 2 60 - 3 - H LYS 83 - HA3 GLY 18 lone 2 97 - 2 - H LYS 83 - HA2 GLY 18 lone 1 97 - 2 - Peak 3719 from cnoeabs.peaks (8.32, 3.93, 45.09 ppm; 4.36 A): 2 out of 12 assignments used, quality = 1.00: * H GLU 19 + HA3 GLY 18 OK 100 100 - 100 - 3.6=100 H GLU 19 + HA2 GLY 18 OK 100 100 - 100 - 3.6=100 H GLU 19 - HA3 GLY 21 lone 6 70 - 9 - ~33=1, 25=1, 25/1.8=1 H GLU 19 - HA2 GLY 21 lone 6 67 - 9 - ~33=1, 25=1, 25/1.8=1 H ASP 24 - HA3 GLY 21 lone 4 60 - 7 - 903/3.5=4 H ASP 24 - HA2 GLY 21 lone 4 58 - 7 - 903/3.5=4 H ASP 24 - HA3 GLY 18 lone 2 93 - 2 - H LYS 83 - HA3 GLY 21 lone 2 65 - 3 - H ASP 24 - HA2 GLY 18 lone 2 93 - 2 - H LYS 83 - HA2 GLY 21 lone 2 62 - 3 - H LYS 83 - HA3 GLY 18 lone 2 97 - 2 - H LYS 83 - HA2 GLY 18 lone 2 97 - 2 - Peak 3720 from cnoeabs.peaks (8.45, 4.26, 56.28 ppm; 4.04 A): 1 out of 12 assignments used, quality = 1.00: * H ALA 20 + HA GLU 19 OK 100 100 - 100 - 3.6=100 H GLU 87 - HA GLU 19 OK 22 60 - 37 - 4.0/1208=5, 4.0/1209=5...(13) H ILE 68 - HA GLU 19 OK 17 92 - 18 - 5810=3, 4.6/4738=2...(8) H ALA 20 - HA ARG 17 poor 9 80 - 12 - 498=2, ~3725=1, ~23=1 H ALA 20 - HA LYS 83 lone 7 92 - 7 - 4.6/492=1, 27=1 H GLU 87 - HA LYS 85 poor 5 26 - 18 - 5898/3.6=15, 5899/2.9=2 H ILE 68 - HA LYS 83 lone 4 80 - 5 - H ILE 68 - HA ARG 17 lone 3 68 - 5 - H ILE 68 - HA LYS 85 lone 3 44 - 6 - ~5815=1, 5898/3.6=1 H ALA 20 - HA LYS 85 lone 2 54 - 3 - H GLU 87 - HA ARG 17 lone 2 41 - 4 - H GLU 87 - HA LYS 83 lone 2 50 - 4 - 4.6/385=1 Peak 3721 from cnoeabs.peaks (8.45, 1.91, 30.05 ppm; 4.78 A): 2 out of 12 assignments used, quality = 1.00: * H ALA 20 + HB2 GLU 19 OK 100 100 - 100 - 4.6=100 H GLU 87 + HB3 GLU 87 OK 50 50 - 100 - 4.0=100 H ALA 20 - HB3 GLU 87 OK 41 92 - 45 - 28=8, 29/1.8=8...(13) H GLU 87 - HB2 GLU 19 OK 32 60 - 53 - 3.0/3558=9, ~3557=7...(16) H ILE 68 - HB2 GLU 19 OK 16 92 - 17 - 3720/3.0=4, 3722/1.8=2...(5) H ILE 68 - HB3 GLU 87 OK 12 80 - 15 - 3.0/2744=2, 5900/4.6=2...(7) H ILE 68 - HB3 ARG 26 poor 5 49 - 11 - 4.6/278=1 H ALA 20 - HB2 GLN 91 lone 4 55 - 8 - 3.6/1208=2, 29/1.8=1...(4) H GLU 87 - HB2 GLN 91 poor 4 26 - 15 - 3.0/3558=3, ~3562=2...(6) H GLU 87 - HB3 ARG 26 lone 2 29 - 8 - 5899/3.9=1 H ALA 20 - HB3 ARG 26 lone 2 59 - 3 - H ILE 68 - HB2 GLN 91 lone 2 45 - 4 - Peak 3722 from cnoeabs.peaks (8.45, 2.04, 30.05 ppm; 5.34 A): 2 out of 9 assignments used, quality = 1.00: * H ALA 20 + HB3 GLU 19 OK 100 100 - 100 - 4.6=100 H GLU 87 + HB2 GLU 87 OK 48 48 - 100 - 4.0=100 H ALA 20 - HB2 GLU 87 OK 43 89 - 49 - 29=9, 3.6/1209=8...(13) H GLU 87 - HB3 GLU 19 OK 35 60 - 59 - 3.0/3557=11, ~3558=8...(17) H ILE 68 - HB3 GLU 19 OK 15 92 - 16 - 3720/3.0=4, 3721/1.8=3...(5) H ILE 68 - HB2 GLU 87 OK 12 77 - 15 - 3721/1.8=2, 5900/4.6=2...(6) H GLU 87 - HB3 GLN 91 poor 6 30 - 19 - 3.0/3557=4, ~3558=3...(8) H ALA 20 - HB3 GLN 91 lone 5 62 - 9 - 3.6/1209=2, 29=1...(4) H ILE 68 - HB3 GLN 91 lone 2 52 - 3 - Peak 3724 from cnoeabs.peaks (8.45, 2.23, 36.01 ppm; 5.63 A): 5 out of 18 assignments used, quality = 0.99: * H ALA 20 + HG3 GLU 19 OK 68 100 - 68 - 29/3.0=20, 498/3.9=17...(14) H ALA 20 + HG2 GLU 19 OK 68 100 - 68 - 29/3.0=20, 498/3.9=17...(14) H GLU 87 + HG3 GLU 87 OK 50 50 - 100 - 4.8=100 H GLU 87 + HG2 GLU 87 OK 49 49 - 100 - 4.8=100 H ALA 20 + HG3 GLU 87 OK 46 92 - 50 - 31=9, 30/1.8=8, 29/3.0=8...(16) H ALA 20 - HG2 GLU 87 OK 45 90 - 50 - 31=9, 30/1.8=9, 29/3.0=8...(16) H GLU 87 - HG3 GLU 19 OK 38 60 - 64 - 3.0/3560=7, ~3557=7...(17) H GLU 87 - HG2 GLU 19 OK 38 60 - 64 - 3.0/3560=7, ~3557=7...(17) H ILE 68 - HG2 GLU 19 OK 13 92 - 14 - 3720/3.9=4, 3721/3.0=2...(5) H ILE 68 - HG3 GLU 19 OK 13 92 - 14 - 3720/3.9=4, 3721/3.0=2...(5) H ILE 68 - HG3 GLU 87 poor 9 80 - 11 - 3721/3.0=2, 3722/3.0=2...(5) H ALA 20 - HG3 GLU 50 poor 9 73 - 12 - 30=2, 29/3.0=2, 29/3.0=2 H ILE 68 - HG2 GLU 87 poor 9 78 - 11 - 3721/3.0=2, 3722/3.0=2...(5) H ALA 20 - HG2 GLU 25 poor 7 62 - 11 - 29/3.0=1, 30=1, 29/3.0=1 H GLU 87 - HG3 GLU 50 poor 4 37 - 12 - ~3557=2, 3.0/3559=2...(4) H GLU 87 - HG2 GLU 25 lone 3 30 - 9 - 4.6/5921=3 H ILE 68 - HG3 GLU 50 lone 2 62 - 4 - 5809/3.7=1 H ILE 68 - HG2 GLU 25 lone 1 52 - 2 - Peak 3725 from cnoeabs.peaks (8.39, 4.26, 52.94 ppm; 4.19 A): 1 out of 8 assignments used, quality = 1.00: * H GLY 21 + HA ALA 20 OK 100 100 - 100 - 3.6=100 H GLY 18 - HA ALA 20 OK 19 92 - 21 - 3.0/5494=4, 3.0/5494=4...(6) H VAL 65 - HA ALA 20 OK 16 100 - 16 - 265=4, 3726/2.1=2...(7) H ARG 17 - HA ALA 20 OK 15 98 - 16 - 23/2.1=3, 484=3...(4) H GLY 21 - HA ALA 77 poor 8 49 - 16 - 34/2.1=4, 33=2...(5) H VAL 65 - HA ALA 77 lone 2 49 - 4 - H ARG 17 - HA ALA 77 lone 2 46 - 4 - 23/2.1=1 H GLY 18 - HA ALA 77 lone 1 40 - 3 - Peak 3726 from cnoeabs.peaks (8.39, 1.38, 18.75 ppm; 4.30 A): 2 out of 16 assignments used, quality = 1.00: * H GLY 21 + QB ALA 20 OK 100 100 - 100 - 3.6=100 H ARG 17 + QB ALA 16 OK 51 51 - 100 - 3.6=100 H GLY 21 - QB ALA 77 OK 19 100 - 19 - 34=5, 4.5/1239=2...(9) H ARG 17 - QB ALA 20 OK 15 98 - 15 - 23=4, 3725/2.1=3...(6) H GLY 18 - QB ALA 20 OK 14 92 - 16 - 3725/2.1=4, ~5494=3...(7) H VAL 65 - QB ALA 20 OK 13 100 - 13 - 3725/2.1=4, 4720/4.8=2...(4) H GLY 21 - QB ALA 78 lone 7 96 - 8 - 34/4.6=2, 34=2, 4.5/1239=1 H GLY 18 - QB ALA 16 poor 6 45 - 12 - 3.6/5486=8, 3716/2.1=3 H ARG 17 - QB ALA 77 lone 5 98 - 5 - 23=1, 3.6/1142=1 H GLY 21 - QB ALA 16 lone 4 55 - 7 - 34=2 H GLY 18 - QB ALA 77 lone 3 91 - 3 - H ARG 17 - QB ALA 78 lone 3 92 - 3 - H VAL 65 - QB ALA 77 lone 2 100 - 2 - H VAL 65 - QB ALA 16 lone 2 54 - 4 - 265/5.0=1 H VAL 65 - QB ALA 78 lone 1 95 - 1 - H GLY 18 - QB ALA 78 lone 1 85 - 2 - Peak 3727 from cnoeabs.peaks (8.21, 3.95, 45.26 ppm; 4.04 A): 2 out of 32 assignments used, quality = 1.00: * H SER 22 + HA2 GLY 21 OK 100 100 - 100 - 3.5=100 H SER 22 + HA3 GLY 21 OK 100 100 - 100 - 3.5=100 H ALA 77 - HA2 GLY 21 OK 18 92 - 19 - 349/1.8=3, 349=3...(8) H ALA 77 - HA3 GLY 21 OK 18 92 - 19 - 349/1.8=3, 349=3...(8) H ALA 28 - HA2 GLY 21 lone 9 100 - 9 - 542=1, 542/1.8=1 H ALA 28 - HA3 GLY 21 lone 9 100 - 9 - 542=1, 542/1.8=1 H GLU 25 - HA3 GLY 21 lone 8 97 - 8 - 5.0/5284=2, 4.0/4151=1 H GLU 25 - HA2 GLY 21 lone 8 97 - 8 - 5.0/5284=2, 4.0/4151=1 H THR 15 - HA2 GLY 21 lone 4 99 - 5 - 4.0/5284=1 H THR 15 - HA3 GLY 21 lone 4 99 - 5 - 4.0/5284=1 H GLU 25 - HA3 GLY 18 lone 4 62 - 6 - 50/3.6=3 H GLU 25 - HA2 GLY 18 lone 3 60 - 6 - 50/3.6=3 H ARG 84 - HA2 GLY 21 lone 3 96 - 4 - H ARG 84 - HA3 GLY 21 lone 3 96 - 4 - H GLN 79 - HA2 GLY 21 lone 3 100 - 3 - H GLN 79 - HA3 GLY 21 lone 3 100 - 3 - H ALA 28 - HA3 GLY 18 lone 2 67 - 3 - H ALA 28 - HA2 GLY 18 lone 2 65 - 3 - H ALA 77 - HA3 GLY 18 lone 2 56 - 3 - H ALA 77 - HA2 GLY 18 lone 1 54 - 3 - H SER 22 - HA3 GLY 18 lone 1 67 - 2 - H SER 22 - HA2 GLY 18 lone 1 65 - 2 - H ALA 12 - HA2 GLY 21 lone 1 63 - 2 - H ALA 12 - HA3 GLY 21 lone 1 63 - 2 - H ARG 84 - HA3 GLY 18 lone 1 60 - 2 - H THR 15 - HA3 GLY 18 lone 1 65 - 2 - H ARG 84 - HA2 GLY 18 lone 1 58 - 2 - H THR 15 - HA2 GLY 18 lone 1 62 - 2 - H GLN 79 - HA3 GLY 18 lone 1 66 - 1 - H GLN 79 - HA2 GLY 18 lone 1 64 - 1 - H ALA 12 - HA3 GLY 18 lone 0 35 - 1 - H ALA 12 - HA2 GLY 18 lone 0 34 - 1 - Peak 3728 from cnoeabs.peaks (8.21, 3.95, 45.26 ppm; 4.04 A): 2 out of 32 assignments used, quality = 1.00: * H SER 22 + HA3 GLY 21 OK 100 100 - 100 - 3.5=100 H SER 22 + HA2 GLY 21 OK 100 100 - 100 - 3.5=100 H ALA 77 - HA2 GLY 21 OK 18 92 - 19 - 349/1.8=3, 349=3...(8) H ALA 77 - HA3 GLY 21 OK 18 92 - 19 - 349/1.8=3, 349=3...(8) H ALA 28 - HA2 GLY 21 lone 9 100 - 9 - 542=1, 542/1.8=1 H ALA 28 - HA3 GLY 21 lone 9 100 - 9 - 542=1, 542/1.8=1 H GLU 25 - HA3 GLY 21 lone 8 97 - 8 - 5.0/5284=2, 4.0/4151=1 H GLU 25 - HA2 GLY 21 lone 8 97 - 8 - 5.0/5284=2, 4.0/4151=1 H THR 15 - HA3 GLY 21 lone 4 99 - 5 - 4.0/5284=1 H THR 15 - HA2 GLY 21 lone 4 99 - 5 - 4.0/5284=1 H GLU 25 - HA3 GLY 18 lone 4 65 - 6 - 50/3.6=3 H GLU 25 - HA2 GLY 18 lone 4 62 - 6 - 50/3.6=3 H ARG 84 - HA2 GLY 21 lone 3 96 - 4 - H ARG 84 - HA3 GLY 21 lone 3 96 - 4 - H GLN 79 - HA2 GLY 21 lone 3 100 - 3 - H GLN 79 - HA3 GLY 21 lone 3 100 - 3 - H ALA 28 - HA3 GLY 18 lone 2 69 - 3 - H ALA 28 - HA2 GLY 18 lone 2 67 - 3 - H ALA 77 - HA3 GLY 18 lone 2 58 - 3 - H ALA 77 - HA2 GLY 18 lone 2 56 - 3 - H SER 22 - HA3 GLY 18 lone 1 70 - 2 - H SER 22 - HA2 GLY 18 lone 1 67 - 2 - H ARG 84 - HA3 GLY 18 lone 1 62 - 2 - H ALA 12 - HA3 GLY 21 lone 1 63 - 2 - H ALA 12 - HA2 GLY 21 lone 1 63 - 2 - H THR 15 - HA3 GLY 18 lone 1 67 - 2 - H ARG 84 - HA2 GLY 18 lone 1 60 - 2 - H THR 15 - HA2 GLY 18 lone 1 65 - 2 - H GLN 79 - HA3 GLY 18 lone 1 68 - 1 - H GLN 79 - HA2 GLY 18 lone 1 66 - 1 - H ALA 12 - HA3 GLY 18 lone 0 36 - 1 - H ALA 12 - HA2 GLY 18 lone 0 35 - 1 - Peak 3729 from cnoeabs.peaks (8.49, 4.45, 58.33 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 23 + HA SER 22 OK 100 100 - 100 - 3.6=100 H ARG 23 - HA TYR 81 OK 22 95 - 23 - 39=7, 4.4/1251=4...(6) H SER 60 - HA SER 22 lone 6 95 - 7 - 3730/3.0=2, 3731/3.0=2 H SER 60 - HA TYR 81 lone 1 87 - 2 - Peak 3730 from cnoeabs.peaks (8.49, 4.01, 63.89 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 23 + HB2 SER 22 OK 100 100 - 100 - 4.4=100 H SER 60 - HB2 SER 22 lone 8 95 - 9 - 3731/1.8=3, 3729/3.0=2 Peak 3731 from cnoeabs.peaks (8.49, 3.89, 63.89 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 23 + HB3 SER 22 OK 100 100 - 100 - 4.4=100 H SER 60 - HB3 SER 22 lone 8 95 - 8 - 3730/1.8=3, 3729/3.0=2 Peak 3732 from cnoeabs.peaks (8.34, 4.13, 58.01 ppm; 4.46 A): 2 out of 8 assignments used, quality = 1.00: * H ASP 24 + HA ARG 23 OK 100 100 - 100 - 3.6=100 H ASP 24 + HA ARG 27 OK 48 74 - 65 - 43=15, ~5383=13, ~5384=7...(21) H GLU 19 - HA ARG 23 lone 5 93 - 6 - 5502/3.0=3 H LYS 83 - HA ARG 23 lone 5 73 - 7 - 5502/3.0=2 H ALA 16 - HA ARG 23 lone 3 90 - 4 - 5502/3.0=2 H ALA 16 - HA ARG 27 lone 3 61 - 4 - H GLU 19 - HA ARG 27 lone 2 64 - 4 - H LYS 83 - HA ARG 27 lone 2 47 - 3 - Peak 3733 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.51 A): 4 out of 28 assignments used, quality = 1.00: * H ASP 24 + HB2 ARG 23 OK 100 100 - 100 - 4.2=100 H ASP 24 + HB3 ARG 23 OK 100 100 - 100 - 4.2=100 H ASP 24 + HB2 ARG 27 OK 46 83 - 55 - 43/3.0=11, 3.0/4157=8...(20) H ASP 24 + HB3 ARG 27 OK 45 82 - 55 - 43/3.0=11, 3.0/4157=8...(20) H ASP 24 - HB2 ARG 71 OK 12 79 - 16 - 3.0/4157=2, 45=2...(6) H ASP 24 - HB3 ARG 71 OK 12 78 - 16 - 3.0/4157=2, 45=2...(6) H GLU 19 - HB3 ARG 23 lone 6 93 - 7 - 5502/4.0=2, 3732/3.0=1 H GLU 19 - HB2 ARG 23 lone 6 93 - 7 - 5502/4.0=2, 3732/3.0=1 H ASP 24 - HB2 ARG 66 lone 6 60 - 9 - 5504/2.8=1, 5300/3.4=1 H LYS 83 - HB2 ARG 23 lone 5 73 - 7 - 5502/4.0=2, 3732/3.0=1 H LYS 83 - HB3 ARG 23 lone 5 73 - 7 - 5502/4.0=2, 3732/3.0=1 H ALA 16 - HB2 ARG 23 lone 4 90 - 5 - 5502/4.0=1 H ALA 16 - HB3 ARG 23 lone 4 90 - 5 - 5502/4.0=1 H GLU 19 - HB2 ARG 71 lone 3 68 - 5 - 4.6/4826=2 H GLU 19 - HB3 ARG 71 lone 3 68 - 5 - 4.6/4826=2 H GLU 19 - HB2 ARG 27 lone 3 72 - 5 - 4.6/4826=1 H GLU 19 - HB3 ARG 27 lone 3 72 - 5 - 4.6/4826=1 H ALA 16 - HB2 ARG 71 lone 3 65 - 5 - 4.6/485=3 H ALA 16 - HB3 ARG 71 lone 3 64 - 5 - 4.6/485=3 H ALA 16 - HB2 ARG 27 lone 3 69 - 4 - 4.6/485=2 H ALA 16 - HB3 ARG 27 lone 3 68 - 4 - 4.6/485=2 H LYS 83 - HB2 ARG 71 lone 2 50 - 3 - H LYS 83 - HB3 ARG 71 lone 2 50 - 3 - H LYS 83 - HB2 ARG 27 lone 1 54 - 3 - H LYS 83 - HB3 ARG 27 lone 1 53 - 3 - H GLU 19 - HB2 ARG 66 lone 1 51 - 2 - H ALA 16 - HB2 ARG 66 lone 1 49 - 2 - H LYS 83 - HB2 ARG 66 lone 1 37 - 2 - Peak 3734 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.51 A): 4 out of 28 assignments used, quality = 1.00: * H ASP 24 + HB3 ARG 23 OK 100 100 - 100 - 4.2=100 H ASP 24 + HB2 ARG 23 OK 100 100 - 100 - 4.2=100 H ASP 24 + HB2 ARG 27 OK 46 83 - 56 - 43/3.0=11, 3.0/4157=8...(20) H ASP 24 + HB3 ARG 27 OK 46 83 - 56 - 43/3.0=11, 3.0/4157=8...(20) H ASP 24 - HB2 ARG 71 OK 13 79 - 16 - 3.0/4157=2, 45=2...(6) H ASP 24 - HB3 ARG 71 OK 12 79 - 16 - 3.0/4157=2, 45=2...(6) H GLU 19 - HB3 ARG 23 lone 6 93 - 7 - 5502/4.0=2, 3732/3.0=1 H GLU 19 - HB2 ARG 23 lone 6 93 - 7 - 5502/4.0=2, 3732/3.0=1 H ASP 24 - HB2 ARG 66 lone 6 63 - 9 - 5504/2.8=1, 5300/3.4=1 H LYS 83 - HB2 ARG 23 lone 5 73 - 7 - 5502/4.0=2, 3732/3.0=1 H LYS 83 - HB3 ARG 23 lone 5 73 - 7 - 5502/4.0=2, 3732/3.0=1 H ALA 16 - HB3 ARG 23 lone 4 90 - 5 - 5502/4.0=1 H ALA 16 - HB2 ARG 23 lone 4 90 - 5 - 5502/4.0=1 H GLU 19 - HB2 ARG 71 lone 4 69 - 5 - 4.6/4826=2 H GLU 19 - HB3 ARG 71 lone 3 68 - 5 - 4.6/4826=2 H GLU 19 - HB2 ARG 27 lone 3 73 - 5 - 4.6/4826=1 H GLU 19 - HB3 ARG 27 lone 3 72 - 5 - 4.6/4826=1 H ALA 16 - HB2 ARG 71 lone 3 66 - 5 - 4.6/485=3 H ALA 16 - HB3 ARG 71 lone 3 65 - 5 - 4.6/485=3 H ALA 16 - HB2 ARG 27 lone 3 70 - 4 - 4.6/485=2 H ALA 16 - HB3 ARG 27 lone 3 69 - 4 - 4.6/485=2 H LYS 83 - HB2 ARG 71 lone 2 51 - 3 - H LYS 83 - HB3 ARG 71 lone 2 50 - 3 - H LYS 83 - HB2 ARG 27 lone 1 54 - 3 - H LYS 83 - HB3 ARG 27 lone 1 54 - 3 - H GLU 19 - HB2 ARG 66 lone 1 54 - 2 - H ALA 16 - HB2 ARG 66 lone 1 51 - 2 - H LYS 83 - HB2 ARG 66 lone 1 39 - 2 - Peak 3739 from cnoeabs.peaks (8.20, 4.49, 56.18 ppm; 3.76 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 25 + HA ASP 24 OK 100 100 - 100 - 3.6=100 H ARG 27 - HA ASP 24 OK 40 76 - 54 - 5383=21, 4.6/4169=9...(16) H ALA 28 - HA ASP 24 OK 35 96 - 36 - 4.6/5383=13, 6057=6...(9) H SER 22 - HA ASP 24 OK 10 97 - 11 - 903/3.0=4, ~5501=4, 3740/3.0=1 H THR 15 - HA ASP 24 lone 6 100 - 6 - 903/3.0=1, 4.6/5385=1 H ARG 84 - HA ASP 24 lone 6 100 - 5 - 6057=1 H GLN 79 - HA ASP 24 lone 1 92 - 2 - H ILE 89 - HA ASP 24 lone 1 63 - 2 - H ALA 77 - HA ASP 24 lone 1 71 - 2 - Peak 3740 from cnoeabs.peaks (8.20, 2.56, 40.55 ppm; 4.74 A): 1 out of 9 assignments used, quality = 1.00: * H GLU 25 + HB2 ASP 24 OK 100 100 - 100 - 4.5=100 H ARG 27 - HB2 ASP 24 OK 31 76 - 42 - 5383/3.0=22, ~5524=6...(10) H ALA 28 - HB2 ASP 24 OK 29 96 - 31 - 6057/3.0=9, 2.9/5533=8...(7) H SER 22 - HB2 ASP 24 OK 11 97 - 11 - 903/4.0=5, 3739/3.0=2...(4) H THR 15 - HB2 ASP 24 lone 8 100 - 8 - 903/4.0=2, 4.6/1320=1 H ARG 84 - HB2 ASP 24 lone 7 100 - 6 - 6057/3.0=2, 903/4.0=1 H ALA 77 - HB2 ASP 24 lone 3 71 - 4 - H ILE 89 - HB2 ASP 24 lone 2 63 - 3 - H GLN 79 - HB2 ASP 24 lone 2 92 - 2 - Peak 3741 from cnoeabs.peaks (8.20, 2.59, 40.55 ppm; 4.87 A): 1 out of 18 assignments used, quality = 1.00: * H GLU 25 + HB3 ASP 24 OK 100 100 - 100 - 4.5=100 H ARG 27 - HB3 ASP 24 OK 32 76 - 42 - 5383/3.0=23, 3.0/5524=8...(8) H ALA 28 - HB3 ASP 24 OK 31 96 - 33 - 6057/3.0=10, 3.6/5524=7...(8) H GLU 25 - HB3 ASP 47 OK 18 60 - 29 - 53=9, 3.6/1319=8...(4) H SER 22 - HB3 ASP 24 OK 12 97 - 12 - 903/4.0=5, 3739/3.0=2...(4) H THR 15 - HB3 ASP 24 lone 7 100 - 7 - 903/4.0=2, 4.6/1324=1 H ARG 84 - HB3 ASP 24 lone 6 100 - 6 - 6057/3.0=2, 903/4.0=1 H ILE 89 - HB3 ASP 24 lone 5 63 - 8 - 4.5/4835=2, 3.9/4835=2 H ALA 28 - HB3 ASP 47 lone 4 53 - 7 - H ILE 89 - HB3 ASP 47 poor 3 31 - 10 - 4.5/4835=4, 4.9/4160=2...(4) H ARG 27 - HB3 ASP 47 lone 3 38 - 7 - 5383/1319=2 H SER 22 - HB3 ASP 47 lone 3 55 - 5 - H GLN 79 - HB3 ASP 24 lone 2 92 - 2 - H ALA 77 - HB3 ASP 24 lone 2 71 - 3 - H ARG 84 - HB3 ASP 47 lone 2 60 - 3 - H THR 15 - HB3 ASP 47 lone 1 59 - 2 - H ALA 77 - HB3 ASP 47 lone 1 35 - 3 - H GLN 79 - HB3 ASP 47 lone 1 50 - 2 - Peak 3742 from cnoeabs.peaks (8.13, 4.09, 58.48 ppm; 3.37 A): 3 out of 28 assignments used, quality = 0.99: * H ARG 26 + HA GLU 25 OK 92 100 - 92 - 3.6=84, 904/2.9=16...(11) H ARG 26 + HA ARG 26 OK 79 79 - 100 - 3.0=100 H ARG 71 + HA ARG 71 OK 61 61 - 100 - 2.9=100 H ARG 26 - HA ARG 71 OK 28 93 - 30 - 55=5, 530/3.8=4...(10) H ARG 26 - HA ARG 27 OK 21 56 - 38 - 5380/3.0=17, 55=5...(8) H ARG 71 - HA ARG 26 OK 16 49 - 32 - 775=6, 1390/3.7=4...(10) H ARG 71 - HA GLU 25 OK 10 71 - 15 - 904/2.9=2, 775=2...(4) H ASN 74 - HA ARG 71 OK 10 70 - 15 - 4.0/6010=3, 5.6/6078=3...(5) H THR 88 - HA ARG 27 poor 8 56 - 14 - 5380/3.0=4, 873=3...(6) H THR 88 - HA GLU 25 lone 8 100 - 8 - 904/2.9=2, 3746/4.1=1 H ASN 74 - HA ARG 26 poor 6 57 - 11 - 4.0/6010=2, 5.6/6078=2...(4) H ASN 74 - HA GLU 25 lone 6 81 - 8 - 5.6/6078=2, 4.0/6010=1 H THR 88 - HA ARG 26 lone 6 79 - 8 - 5380/3.6=3 H ARG 71 - HA ARG 27 poor 4 33 - 13 - 5380/3.0=4, ~61=2...(4) H ALA 78 - HA GLU 25 lone 4 89 - 4 - H LYS 85 - HA ARG 71 lone 4 58 - 6 - 5397/3.6=2, 5391/4.7=1 H LEU 57 - HA GLU 25 lone 2 83 - 3 - H THR 88 - HA ARG 71 lone 2 93 - 2 - H LYS 85 - HA GLU 25 lone 2 68 - 3 - H LEU 57 - HA ARG 26 lone 2 59 - 3 - H LYS 85 - HA ARG 26 lone 1 47 - 3 - H LEU 57 - HA ARG 71 lone 1 72 - 2 - H ALA 78 - HA ARG 26 lone 1 64 - 2 - H ASN 74 - HA ARG 27 lone 1 38 - 2 - H LEU 57 - HA ARG 27 lone 1 40 - 2 - H LYS 85 - HA ARG 27 lone 1 31 - 2 - H ALA 78 - HA ARG 71 lone 1 78 - 1 - H ALA 78 - HA ARG 27 lone 1 44 - 1 - Peak 3743 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 2 out of 35 assignments used, quality = 0.98: * H ARG 26 + HB2 GLU 25 OK 86 100 - 86 - 4.7=58, 904/4.0=16...(19) H ARG 26 + HB3 GLU 25 OK 86 100 - 86 - 4.7=58, 904/4.0=16...(19) H LEU 57 - HB3 PRO 56 OK 39 40 - 98 - 4.0=94, 218/2.3=33...(7) H ARG 71 - HB2 GLU 25 OK 12 71 - 16 - 904/4.0=2, 775/3.0=2...(4) H ARG 71 - HB3 GLU 25 OK 11 71 - 16 - 904/4.0=2, 775/3.0=2...(4) H THR 88 - HB2 GLU 25 OK 11 100 - 11 - 3746/3.0=2, 5510/3.0=2...(4) H THR 88 - HB3 GLU 25 OK 11 100 - 11 - 3746/3.0=2, 5510/3.0=2...(4) H ALA 78 - HB2 GLU 25 lone 6 89 - 7 - 3746/3.0=1, 904/4.0=1 H ALA 78 - HB3 GLU 25 lone 6 89 - 7 - 3746/3.0=1, 904/4.0=1 H ASN 74 - HB2 GLU 25 lone 4 81 - 5 - H ASN 74 - HB3 GLU 25 lone 4 81 - 5 - H THR 88 - HB3 GLU 50 lone 4 76 - 5 - 3.6/3557=1 H THR 88 - HB2 GLU 50 lone 4 76 - 5 - 3.6/3557=1 H LEU 57 - HB2 GLU 25 lone 4 83 - 5 - H LEU 57 - HB3 GLU 25 lone 4 83 - 5 - H ARG 26 - HB3 GLU 50 lone 4 76 - 5 - H ARG 26 - HB2 GLU 50 lone 4 76 - 5 - H ARG 26 - HB3 PRO 56 lone 3 57 - 5 - H LYS 85 - HB2 GLU 25 lone 2 68 - 3 - H LYS 85 - HB3 GLU 25 lone 2 68 - 3 - H ALA 78 - HB2 GLU 50 lone 2 61 - 4 - H ALA 78 - HB3 GLU 50 lone 2 61 - 4 - H THR 88 - HB3 PRO 56 lone 2 57 - 3 - H ASN 74 - HB3 PRO 56 lone 2 39 - 4 - 3879/2.3=1 H ALA 78 - HB3 PRO 56 lone 1 45 - 3 - H LEU 57 - HB3 GLU 50 lone 1 56 - 2 - H LEU 57 - HB2 GLU 50 lone 1 56 - 2 - H ASN 74 - HB3 GLU 50 lone 1 54 - 2 - H ASN 74 - HB2 GLU 50 lone 1 54 - 2 - H ARG 71 - HB3 GLU 50 lone 1 46 - 2 - H ARG 71 - HB2 GLU 50 lone 1 46 - 2 - H LYS 85 - HB2 GLU 50 lone 1 44 - 1 - H LYS 85 - HB3 GLU 50 lone 1 44 - 1 - H ARG 71 - HB3 PRO 56 lone 0 33 - 1 - H LYS 85 - HB3 PRO 56 lone 0 32 - 1 - Peak 3744 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 2 out of 35 assignments used, quality = 0.98: H ARG 26 + HB2 GLU 25 OK 86 100 - 86 - 4.7=58, 904/4.0=16...(19) * H ARG 26 + HB3 GLU 25 OK 86 100 - 86 - 4.7=58, 904/4.0=16...(19) H LEU 57 - HB3 PRO 56 OK 38 39 - 98 - 4.0=94, 218/2.3=33...(7) H ARG 71 - HB3 GLU 25 OK 11 71 - 16 - 904/4.0=2, 775/3.0=2...(4) H ARG 71 - HB2 GLU 25 OK 11 71 - 16 - 904/4.0=2, 775/3.0=2...(4) H THR 88 - HB2 GLU 25 OK 11 100 - 11 - 3746/3.0=2, 5510/3.0=2...(4) H THR 88 - HB3 GLU 25 OK 11 100 - 11 - 3746/3.0=2, 5510/3.0=2...(4) H ALA 78 - HB2 GLU 25 lone 6 89 - 7 - 3746/3.0=1, 904/4.0=1 H ALA 78 - HB3 GLU 25 lone 6 89 - 7 - 3746/3.0=1, 904/4.0=1 H ASN 74 - HB2 GLU 25 lone 4 81 - 5 - H ASN 74 - HB3 GLU 25 lone 4 81 - 5 - H THR 88 - HB3 GLU 50 lone 4 74 - 5 - 3.6/3557=1 H THR 88 - HB2 GLU 50 lone 4 74 - 5 - 3.6/3557=1 H LEU 57 - HB2 GLU 25 lone 4 83 - 5 - H LEU 57 - HB3 GLU 25 lone 4 83 - 5 - H ARG 26 - HB3 GLU 50 lone 4 74 - 5 - H ARG 26 - HB2 GLU 50 lone 4 74 - 5 - H ARG 26 - HB3 PRO 56 lone 3 55 - 5 - H LYS 85 - HB2 GLU 25 lone 2 68 - 3 - H LYS 85 - HB3 GLU 25 lone 2 68 - 3 - H ALA 78 - HB2 GLU 50 lone 2 60 - 4 - H ALA 78 - HB3 GLU 50 lone 2 60 - 4 - H THR 88 - HB3 PRO 56 lone 2 55 - 3 - H ASN 74 - HB3 PRO 56 lone 2 38 - 4 - 3879/2.3=1 H ALA 78 - HB3 PRO 56 lone 1 43 - 2 - H LEU 57 - HB3 GLU 50 lone 1 55 - 2 - H LEU 57 - HB2 GLU 50 lone 1 55 - 2 - H ASN 74 - HB3 GLU 50 lone 1 53 - 2 - H ASN 74 - HB2 GLU 50 lone 1 53 - 2 - H ARG 71 - HB3 GLU 50 lone 1 45 - 2 - H ARG 71 - HB2 GLU 50 lone 1 45 - 2 - H LYS 85 - HB2 GLU 50 lone 1 43 - 1 - H LYS 85 - HB3 GLU 50 lone 1 43 - 1 - H ARG 71 - HB3 PRO 56 lone 0 32 - 1 - H LYS 85 - HB3 PRO 56 lone 0 30 - 1 - Peak 3746 from cnoeabs.peaks (8.13, 2.30, 36.07 ppm; 5.37 A): 4 out of 14 assignments used, quality = 0.90: * H ARG 26 + HG3 GLU 25 OK 82 100 - 82 - 58/1.8=31, 4.6/524=26...(13) H THR 88 + HG3 GLU 25 OK 23 100 - 23 - 4.0/5513=5, 5510/1.8=4...(7) H ARG 71 + HG3 GLU 25 OK 17 71 - 23 - 904/5.0=4, 2.9/1353=3...(10) H ALA 78 + HG3 GLU 25 OK 11 89 - 12 - 3.6/5512=2, 5510/1.8=2 H ARG 26 - HG3 GLU 59 poor 9 77 - 11 - 4.6/524=2, 3.6/1353=2...(4) H ASN 74 - HG3 GLU 25 lone 6 81 - 7 - 58/1.8=2, 904/5.0=1 H LEU 57 - HG3 GLU 25 lone 5 83 - 6 - H LYS 85 - HG3 GLU 25 lone 4 68 - 6 - H THR 88 - HG3 GLU 59 lone 2 77 - 3 - H LEU 57 - HG3 GLU 59 lone 2 57 - 3 - H ALA 78 - HG3 GLU 59 lone 2 62 - 3 - H ARG 71 - HG3 GLU 59 lone 1 47 - 3 - H ASN 74 - HG3 GLU 59 lone 1 55 - 2 - H LYS 85 - HG3 GLU 59 lone 1 45 - 2 - Peak 3747 from cnoeabs.peaks (8.18, 4.07, 58.59 ppm; 4.06 A): 2 out of 21 assignments used, quality = 1.00: * H ARG 27 + HA ARG 26 OK 100 100 - 100 - 3.6=100 H GLU 25 + HA GLU 25 OK 53 53 - 100 - 2.9=100 H ARG 27 - HA GLU 25 OK 36 79 - 46 - 5380/3.6=20, 61=9...(9) H GLU 25 - HA ARG 26 OK 36 76 - 48 - 904/3.0=17, 520=7, ~55=5...(11) H ARG 27 - HA ARG 71 OK 34 90 - 38 - 61=9, 5380/2.9=6...(10) H GLU 25 - HA ARG 71 OK 12 63 - 20 - 520=3, 4.6/526=3...(8) H ASN 74 - HA ARG 71 OK 11 56 - 19 - 4.0/6010=5, 5.6/6078=4...(6) H ASN 74 - HA ARG 26 poor 9 68 - 13 - 4.0/6010=4, 4.0/6009=4 H ILE 89 - HA ARG 26 lone 6 100 - 6 - 4.6/883=1 H ARG 84 - HA ARG 26 lone 5 81 - 6 - H ILE 89 - HA GLU 25 lone 5 78 - 7 - 4.6/883=1 H THR 15 - HA GLU 25 poor 5 47 - 10 - 11/4.1=2, ~1128=2...(4) H ARG 84 - HA ARG 71 lone 5 67 - 7 - H ILE 89 - HA ARG 71 lone 4 89 - 4 - H ASN 74 - HA GLU 25 lone 4 47 - 8 - 5.6/6078=2, 4.0/6010=2 H THR 15 - HA ARG 26 lone 3 68 - 5 - H ARG 84 - HA GLU 25 lone 3 57 - 5 - H LEU 57 - HA ARG 26 lone 2 65 - 3 - H LEU 57 - HA ARG 71 lone 1 53 - 2 - H LEU 57 - HA GLU 25 lone 1 45 - 2 - H THR 15 - HA ARG 71 lone 1 56 - 2 - Peak 3748 from cnoeabs.peaks (8.18, 1.88, 29.99 ppm; 3.60 A): 4 out of 56 assignments used, quality = 0.98: H ARG 27 + HB3 ARG 26 OK 72 100 - 72 - 4.6=47, 5380/3.9=15...(12) * H ARG 27 + HB2 ARG 26 OK 72 100 - 72 - 4.6=47, 5380/3.9=15...(12) H ARG 27 + HB3 ARG 27 OK 47 56 - 84 - 4.1=69, 536/1.8=9...(18) H ARG 27 + HB2 ARG 27 OK 45 54 - 84 - 4.1=69, 536/1.8=9...(18) H GLU 25 - HB3 ARG 26 OK 27 76 - 35 - 904/3.9=11, 520/3.0=5...(8) H GLU 25 - HB2 ARG 26 OK 27 76 - 35 - 904/3.9=11, 520/3.0=5...(8) H ARG 27 - HB3 ARG 71 OK 15 54 - 29 - 61/3.0=5, 65/2.8=4...(7) H ARG 27 - HB2 ARG 71 OK 15 51 - 28 - 61/3.0=5, 65/2.8=4...(7) H ARG 27 - HB2 ARG 66 lone 8 100 - 8 - 63=1 H GLU 25 - HB3 ARG 27 poor 8 36 - 21 - 3.6/4157=4, 1414/3.0=2...(8) H GLU 25 - HB2 ARG 27 poor 7 34 - 21 - 3.6/4157=4, 1414/3.0=2...(8) H GLU 25 - HB3 ARG 71 poor 5 34 - 15 - 520/3.0=2, 904/4.0=2...(7) H GLU 25 - HB2 ARG 71 poor 5 32 - 15 - 520/3.0=2, 904/4.0=2...(7) H ILE 89 - HB3 ARG 27 lone 5 55 - 9 - 409/3.0=4, 877/1.8=1 H THR 15 - HB2 ARG 66 lone 4 67 - 6 - 3.6/1095=2, 4.0/1102=2 H GLU 25 - HB2 ARG 66 lone 4 75 - 5 - H THR 15 - HB2 ARG 26 lone 4 68 - 5 - 3.6/1095=1 H THR 15 - HB3 ARG 26 lone 4 68 - 5 - 3.6/1095=1 H ILE 89 - HB2 ARG 27 lone 4 53 - 7 - 409/3.0=4 H ARG 84 - HB3 ARG 26 lone 3 81 - 4 - H ARG 84 - HB2 ARG 26 lone 3 81 - 4 - H ILE 89 - HB3 ARG 26 lone 3 100 - 3 - H ILE 89 - HB2 ARG 26 lone 3 100 - 3 - H ARG 27 - HB3 GLU 87 lone 3 46 - 6 - 5380/4.6=3 H ARG 84 - HB3 ARG 71 lone 2 37 - 5 - H ARG 84 - HB2 ARG 71 lone 2 35 - 5 - H ILE 89 - HB2 ARG 66 lone 1 99 - 1 - H ARG 84 - HB2 ARG 66 lone 1 79 - 2 - H LEU 57 - HB2 ARG 66 lone 1 64 - 2 - H ASN 74 - HB3 ARG 71 lone 1 30 - 4 - 322/4.4=2 H ASN 74 - HB2 ARG 26 lone 1 68 - 2 - H ASN 74 - HB3 ARG 26 lone 1 68 - 2 - H ASN 74 - HB2 ARG 71 lone 1 28 - 4 - 322/4.4=2 H ILE 89 - HB3 ARG 71 lone 1 52 - 2 - H ARG 84 - HB3 ARG 27 lone 1 39 - 3 - H ARG 84 - HB2 ARG 27 lone 1 37 - 3 - H ILE 89 - HB3 GLU 87 lone 1 45 - 2 - 4.6/1374=1 H LEU 57 - HB2 ARG 26 lone 1 65 - 1 - H LEU 57 - HB3 ARG 26 lone 1 65 - 1 - H ILE 89 - HB2 ARG 71 lone 1 50 - 1 - H GLU 25 - HB3 GLU 87 lone 1 29 - 3 - H ASN 74 - HB2 ARG 66 lone 0 67 - 1 - H ASN 74 - HB3 ARG 27 lone 0 32 - 1 - H THR 15 - HB3 ARG 27 lone 0 32 - 1 - H ARG 84 - HB3 GLU 87 lone 0 31 - 1 - H ASN 74 - HB2 ARG 27 lone 0 30 - 1 - H THR 15 - HB2 ARG 27 lone 0 30 - 1 - H LEU 57 - HB3 ARG 27 lone 0 30 - 1 - H LEU 57 - HB3 ARG 71 lone 0 28 - 1 - H LEU 57 - HB2 ARG 27 lone 0 29 - 1 - H THR 15 - HB3 GLU 87 lone 0 25 - 1 - H LEU 57 - HB2 ARG 71 lone 0 27 - 1 - H THR 15 - HB3 ARG 71 lone 0 30 - 1 - H THR 15 - HB2 ARG 71 lone 0 28 - 1 - H LEU 57 - HB3 GLU 87 lone 0 24 - 1 - H ASN 74 - HB3 GLU 87 lone 0 25 - 1 - Peak 3754 from cnoeabs.peaks (8.21, 4.12, 58.29 ppm; 3.47 A): 2 out of 24 assignments used, quality = 0.97: * H ALA 28 + HA ARG 27 OK 94 100 - 94 - 3.6=92, 71/3.0=6...(8) H GLU 25 + HA GLU 25 OK 50 50 - 100 - 2.9=100 H GLU 25 - HA ARG 27 OK 30 96 - 31 - 4.6/5345=6, 4.6/43=4...(12) H ALA 28 - HA GLU 25 OK 21 56 - 37 - 5347=8, 2.9/4181=6...(15) H GLU 25 - HA ARG 23 OK 12 67 - 18 - 50/3.6=12, 4.5/5524=1 H SER 22 - HA GLU 25 poor 9 56 - 17 - 4152/3.0=4, 4152/3.0=4...(7) H ALA 28 - HA ARG 23 poor 9 74 - 12 - 69=3, 903/3.6=2, 4.6/534=2 H SER 22 - HA ARG 27 lone 7 100 - 7 - 4.6/508=3 H ARG 84 - HA ARG 27 lone 5 93 - 6 - 69=1 H THR 15 - HA GLU 25 lone 4 52 - 8 - 11/4.1=2, 11/4.1=1, ~1128=1 H SER 22 - HA ARG 23 lone 4 74 - 6 - 903/3.6=3, 2.9/5503=1 H ALA 77 - HA ARG 27 lone 3 95 - 3 - H THR 15 - HA ARG 27 lone 3 98 - 3 - H ALA 77 - HA GLU 25 lone 3 48 - 6 - 350/3.0=1, 350/3.0=1 H ARG 84 - HA ARG 23 lone 2 64 - 3 - H ARG 84 - HA GLU 25 lone 2 47 - 4 - H THR 15 - HA ARG 23 lone 2 70 - 2 - H GLN 79 - HA ARG 27 lone 1 100 - 1 - H ALA 12 - HA ARG 27 lone 1 68 - 2 - H GLN 79 - HA GLU 25 lone 1 55 - 2 - H ALA 77 - HA ARG 23 lone 1 66 - 1 - H GLN 79 - HA ARG 23 lone 1 74 - 1 - H ALA 12 - HA GLU 25 lone 0 31 - 1 - H ALA 12 - HA ARG 23 lone 0 43 - 1 - Peak 3755 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 2 out of 80 assignments used, quality = 0.94: * H ALA 28 + HB2 ARG 27 OK 75 100 - 75 - 4.3=59, 69/3.0=17...(10) H ALA 28 + HB3 ARG 27 OK 75 100 - 75 - 4.3=59, 69/3.0=17...(10) H GLU 25 - HB3 ARG 27 OK 24 96 - 26 - 3.6/4157=5, 3754/3.0=3...(9) H GLU 25 - HB2 ARG 27 OK 24 96 - 26 - 3.6/4157=5, 3754/3.0=3...(9) H GLU 25 - HB2 ARG 26 OK 19 48 - 39 - 904/3.9=14, 520/3.0=6...(7) H GLU 25 - HB3 ARG 26 OK 18 46 - 39 - 904/3.9=14, 520/3.0=6...(7) H GLU 25 - HB2 ARG 71 OK 17 95 - 17 - 520/3.0=3, 904/4.0=2...(6) H GLU 25 - HB3 ARG 71 OK 17 95 - 17 - 520/3.0=3, 904/4.0=2...(6) H ALA 28 - HB2 ARG 71 OK 16 100 - 16 - 5347/3.0=2, 71=2...(7) H ALA 28 - HB3 ARG 71 OK 16 100 - 16 - 5347/3.0=2, 71=2...(7) H ALA 28 - HB2 ARG 26 OK 15 54 - 28 - 54/3.9=4, 5347/3.0=3...(11) H GLU 25 - HB3 ARG 23 OK 15 76 - 19 - 50/4.2=12, 3.6/4157=3...(4) H GLU 25 - HB2 ARG 23 OK 14 75 - 19 - 50/4.2=12, 3.6/4157=3...(4) H ALA 28 - HB3 ARG 26 OK 14 52 - 28 - 54/3.9=4, 5347/3.0=3...(11) H ALA 28 - HB3 ARG 23 OK 11 83 - 13 - 903/4.2=2, 69/3.0=2...(6) H ALA 28 - HB2 ARG 23 OK 11 83 - 13 - 903/4.2=2, 69/3.0=2...(6) H SER 22 - HB3 ARG 23 poor 9 83 - 10 - 3.9/5499=3, 903/4.2=3...(4) H SER 22 - HB3 ARG 27 lone 8 100 - 9 - 3.9/5499=1, 4.6/510=1 H SER 22 - HB2 ARG 23 poor 8 83 - 10 - 3.9/5499=3, 903/4.2=3...(4) H SER 22 - HB2 ARG 27 lone 8 100 - 8 - 3.9/5499=2, 4.6/510=1 H ARG 84 - HB2 ARG 71 lone 7 93 - 7 - H ARG 84 - HB3 ARG 71 lone 7 93 - 7 - H ALA 28 - HB2 ARG 66 poor 6 58 - 11 - 71=1 H ARG 84 - HB2 ARG 27 lone 5 93 - 5 - H ARG 84 - HB3 ARG 27 lone 5 93 - 5 - H SER 22 - HB3 ARG 71 lone 3 100 - 3 - H SER 22 - HB2 ARG 71 lone 3 100 - 3 - H ARG 84 - HB3 ARG 23 lone 3 73 - 4 - H ARG 84 - HB2 ARG 23 lone 3 72 - 4 - H ALA 77 - HB2 ARG 71 lone 3 94 - 3 - H ALA 77 - HB3 ARG 71 lone 3 94 - 3 - H GLN 79 - HB2 ARG 66 lone 3 58 - 5 - H GLU 25 - HB2 ARG 66 lone 3 52 - 5 - H ALA 77 - HB2 ARG 27 lone 3 95 - 3 - H ALA 77 - HB3 ARG 27 lone 3 94 - 3 - H THR 15 - HB2 ARG 26 lone 2 51 - 5 - 12/1.8=1 H THR 15 - HB2 ARG 66 lone 2 55 - 4 - 3.6/1095=1 H ARG 84 - HB2 ARG 26 lone 2 46 - 5 - H THR 15 - HB3 ARG 26 lone 2 48 - 5 - 12/1.8=1 H ARG 84 - HB3 ARG 26 lone 2 44 - 5 - H THR 15 - HB3 ARG 23 lone 2 79 - 3 - H ALA 28 - HB3 PRO 34 lone 2 47 - 4 - H THR 15 - HB2 ARG 27 lone 2 98 - 2 - H THR 15 - HB3 ARG 27 lone 2 98 - 2 - H THR 15 - HB2 ARG 23 lone 2 78 - 3 - H SER 22 - HB3 PRO 34 lone 2 46 - 4 - 3.9/5497=1 H SER 22 - HB2 ARG 26 lone 2 54 - 3 - H SER 22 - HB2 ARG 66 lone 2 58 - 3 - H SER 22 - HB3 ARG 26 lone 2 52 - 3 - H ALA 77 - HB3 ARG 23 lone 1 74 - 2 - H ALA 77 - HB2 ARG 66 lone 2 51 - 3 - H ALA 77 - HB2 ARG 23 lone 1 74 - 2 - H GLN 79 - HB3 ARG 27 lone 1 100 - 1 - H GLN 79 - HB2 ARG 27 lone 1 100 - 1 - H ARG 84 - HB2 ARG 66 lone 1 50 - 2 - H THR 15 - HB2 ARG 71 lone 1 98 - 1 - H THR 15 - HB3 ARG 71 lone 1 98 - 1 - H GLN 79 - HB3 ARG 71 lone 1 100 - 1 - H GLN 79 - HB2 ARG 71 lone 1 100 - 1 - H GLN 79 - HB3 ARG 23 lone 1 83 - 1 - H GLN 79 - HB2 ARG 23 lone 1 82 - 1 - H ALA 12 - HB2 ARG 66 lone 1 33 - 3 - 4.1/969=1, 3.6/959=1 H GLU 25 - HB3 PRO 34 lone 1 41 - 2 - H THR 15 - HB3 PRO 34 lone 1 43 - 2 - H ALA 77 - HB2 ARG 26 lone 1 47 - 2 - H ARG 84 - HB3 PRO 34 lone 1 39 - 2 - H ALA 77 - HB3 ARG 26 lone 1 45 - 2 - H ALA 12 - HB2 ARG 27 lone 1 68 - 1 - H ALA 12 - HB3 ARG 27 lone 1 68 - 1 - H GLN 79 - HB2 ARG 26 lone 1 54 - 1 - H GLN 79 - HB3 ARG 26 lone 1 51 - 1 - H ALA 12 - HB3 ARG 71 lone 1 68 - 1 - H ALA 12 - HB2 ARG 71 lone 1 68 - 1 - H ALA 12 - HB2 ARG 26 lone 1 30 - 2 - H ALA 12 - HB3 ARG 26 lone 0 29 - 2 - H ALA 77 - HB3 PRO 34 lone 0 40 - 1 - H GLN 79 - HB3 PRO 34 lone 0 46 - 1 - H ALA 12 - HB3 ARG 23 lone 0 50 - 1 - H ALA 12 - HB2 ARG 23 lone 0 49 - 1 - H ALA 12 - HB3 PRO 34 lone 0 26 - 1 - Peak 3756 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 2 out of 80 assignments used, quality = 0.94: * H ALA 28 + HB3 ARG 27 OK 75 100 - 75 - 4.3=59, 69/3.0=17...(10) H ALA 28 + HB2 ARG 27 OK 75 100 - 75 - 4.3=59, 69/3.0=17...(10) H GLU 25 - HB3 ARG 27 OK 24 96 - 26 - 3.6/4157=5, 3754/3.0=3...(9) H GLU 25 - HB2 ARG 27 OK 24 96 - 26 - 3.6/4157=5, 3754/3.0=3...(9) H GLU 25 - HB2 ARG 26 OK 20 50 - 40 - 904/3.9=14, 520/3.0=6...(7) H GLU 25 - HB3 ARG 26 OK 19 48 - 40 - 904/3.9=14, 520/3.0=6...(7) H GLU 25 - HB3 ARG 71 OK 17 95 - 17 - 520/3.0=3, 904/4.0=2...(6) H GLU 25 - HB2 ARG 71 OK 17 95 - 17 - 520/3.0=3, 904/4.0=2...(6) H ALA 28 - HB2 ARG 71 OK 16 100 - 16 - 5347/3.0=2, 71=2...(7) H ALA 28 - HB3 ARG 71 OK 16 100 - 16 - 5347/3.0=2, 71=2...(7) H ALA 28 - HB2 ARG 26 OK 16 56 - 28 - 54/3.9=4, 4.6/62=3...(11) H ALA 28 - HB3 ARG 26 OK 15 54 - 28 - 54/3.9=4, 4.6/62=3...(11) H GLU 25 - HB3 ARG 23 OK 14 75 - 19 - 50/4.2=12, 3.6/4157=3...(4) H GLU 25 - HB2 ARG 23 OK 14 74 - 19 - 50/4.2=12, 3.6/4157=3...(4) H ALA 28 - HB3 ARG 23 OK 11 83 - 13 - 903/4.2=2, 69/3.0=2...(6) H ALA 28 - HB2 ARG 23 OK 11 82 - 13 - 903/4.2=2, 69/3.0=2...(6) H SER 22 - HB3 ARG 23 poor 8 83 - 10 - 3.9/5499=3, 903/4.2=3...(4) H SER 22 - HB2 ARG 27 lone 8 100 - 9 - 3.9/5499=2, 4.6/510=1 H SER 22 - HB3 ARG 27 lone 8 100 - 9 - 3.9/5499=1, 4.6/510=1 H SER 22 - HB2 ARG 23 poor 8 82 - 10 - 3.9/5499=3, 903/4.2=3...(4) H ARG 84 - HB2 ARG 71 lone 7 93 - 7 - H ARG 84 - HB3 ARG 71 lone 7 93 - 7 - H ALA 28 - HB2 ARG 66 poor 7 61 - 11 - 71=1 H ARG 84 - HB2 ARG 27 lone 5 93 - 5 - H ARG 84 - HB3 ARG 27 lone 5 93 - 5 - H SER 22 - HB3 ARG 71 lone 4 100 - 3 - H SER 22 - HB2 ARG 71 lone 3 100 - 3 - H ARG 84 - HB3 ARG 23 lone 3 72 - 4 - H ARG 84 - HB2 ARG 23 lone 3 72 - 4 - H ALA 77 - HB2 ARG 71 lone 3 94 - 3 - H ALA 77 - HB3 ARG 71 lone 3 94 - 3 - H GLU 25 - HB2 ARG 66 lone 3 54 - 6 - H GLN 79 - HB2 ARG 66 lone 3 60 - 5 - H ALA 77 - HB2 ARG 27 lone 3 94 - 3 - H ALA 77 - HB3 ARG 27 lone 3 95 - 3 - H THR 15 - HB2 ARG 26 lone 3 53 - 5 - 12/1.8=1 H THR 15 - HB2 ARG 66 lone 3 57 - 5 - 3.6/1095=1 H ARG 84 - HB2 ARG 26 lone 2 48 - 5 - H THR 15 - HB3 ARG 26 lone 2 51 - 5 - 12/1.8=1 H ARG 84 - HB3 ARG 26 lone 2 46 - 5 - H ALA 28 - HB3 PRO 34 lone 2 48 - 4 - H SER 22 - HB3 PRO 34 lone 2 48 - 4 - 3.9/5497=1 H THR 15 - HB2 ARG 27 lone 2 98 - 2 - H THR 15 - HB3 ARG 23 lone 2 78 - 3 - H THR 15 - HB3 ARG 27 lone 2 98 - 2 - H THR 15 - HB2 ARG 23 lone 2 78 - 3 - H SER 22 - HB2 ARG 26 lone 2 56 - 3 - H SER 22 - HB3 ARG 26 lone 2 54 - 3 - H SER 22 - HB2 ARG 66 lone 2 60 - 3 - H ALA 77 - HB2 ARG 66 lone 2 53 - 3 - H ALA 77 - HB3 ARG 23 lone 1 74 - 2 - H ALA 77 - HB2 ARG 23 lone 1 73 - 2 - H GLN 79 - HB3 ARG 27 lone 1 100 - 1 - H GLN 79 - HB2 ARG 27 lone 1 100 - 1 - H ARG 84 - HB2 ARG 66 lone 1 52 - 2 - H THR 15 - HB2 ARG 71 lone 1 98 - 1 - H THR 15 - HB3 ARG 71 lone 1 98 - 1 - H ALA 12 - HB2 ARG 66 lone 1 34 - 4 - 4.1/969=1, 3.6/959=1 H GLN 79 - HB3 ARG 71 lone 1 100 - 1 - H GLN 79 - HB2 ARG 71 lone 1 100 - 1 - H GLN 79 - HB3 ARG 23 lone 1 82 - 1 - H GLN 79 - HB2 ARG 23 lone 1 82 - 1 - H GLU 25 - HB3 PRO 34 lone 1 43 - 3 - H THR 15 - HB3 PRO 34 lone 1 45 - 2 - H ALA 77 - HB2 ARG 26 lone 1 49 - 2 - H ARG 84 - HB3 PRO 34 lone 1 41 - 2 - H ALA 77 - HB3 ARG 26 lone 1 47 - 2 - H ALA 12 - HB3 ARG 27 lone 1 68 - 1 - H ALA 12 - HB2 ARG 27 lone 1 68 - 1 - H GLN 79 - HB2 ARG 26 lone 1 56 - 1 - H GLN 79 - HB3 ARG 26 lone 1 54 - 1 - H ALA 12 - HB3 ARG 71 lone 1 68 - 1 - H ALA 12 - HB2 ARG 71 lone 1 68 - 1 - H ALA 12 - HB2 ARG 26 lone 1 32 - 2 - H ALA 12 - HB3 ARG 26 lone 1 30 - 2 - H ALA 77 - HB3 PRO 34 lone 0 42 - 1 - H GLN 79 - HB3 PRO 34 lone 0 48 - 1 - H ALA 12 - HB3 ARG 23 lone 0 49 - 1 - H ALA 12 - HB2 ARG 23 lone 0 49 - 1 - H ALA 12 - HB3 PRO 34 lone 0 27 - 1 - Peak 3757 from cnoeabs.peaks (8.21, 1.63, 27.31 ppm; 4.41 A): 6 out of 48 assignments used, quality = 0.94: * H ALA 28 + HG2 ARG 27 OK 50 100 - 50 - 69/3.8=19, 71/2.9=9...(8) H ALA 28 + HG3 ARG 27 OK 50 100 - 50 - 69/3.8=19, 71/2.9=9...(8) H GLU 25 + HG2 ARG 26 OK 38 82 - 47 - 904/4.9=16, 520/3.7=7...(11) H ALA 28 + HG2 ARG 26 OK 28 89 - 32 - 54/4.9=4, 73=4...(12) H GLU 25 + HG2 ARG 27 OK 27 96 - 28 - 3.6/5346=4, 3754/3.8=4...(8) H GLU 25 + HG3 ARG 27 OK 27 96 - 28 - 3.6/5346=4, 3754/3.8=4...(8) H ARG 84 - HG3 ARG 17 poor 10 73 - 13 - 72=1, 72/1.8=1 H ARG 84 - HG2 ARG 17 poor 9 71 - 13 - 72=1, 72/1.8=1 H ALA 28 - HG3 ARG 17 poor 9 83 - 10 - 4.6/537=2, 3.6/1418=2...(4) H ALA 28 - HG2 ARG 17 poor 8 82 - 10 - 4.6/537=2, 3.6/1418=2...(4) H SER 22 - HG2 ARG 27 lone 6 100 - 6 - H SER 22 - HG3 ARG 27 lone 6 100 - 6 - H ARG 84 - HG2 ARG 27 lone 6 93 - 7 - 69/3.8=1 H ARG 84 - HG3 ARG 27 lone 6 93 - 7 - 69/3.8=1 H GLU 25 - HG3 ARG 70 lone 6 66 - 9 - 5085/4.0=2, 904/5.0=2 H ARG 84 - HG2 ARG 26 lone 6 79 - 7 - H THR 15 - HG2 ARG 26 lone 5 85 - 6 - 12/3.0=1, 12/3.0=1 H GLU 25 - HG3 ARG 17 lone 5 76 - 6 - H GLU 25 - HG2 ARG 17 lone 5 74 - 6 - H ALA 28 - HG3 ARG 70 lone 4 73 - 6 - 907/4.9=1 H ARG 84 - HG3 ARG 70 lone 4 63 - 7 - 907/4.9=1 H SER 22 - HG2 ARG 26 lone 4 89 - 5 - H SER 22 - HG3 ARG 70 lone 3 73 - 4 - 505/4.0=1 H SER 22 - HG3 ARG 17 lone 3 83 - 4 - H SER 22 - HG2 ARG 17 lone 3 82 - 4 - H THR 15 - HG2 ARG 27 lone 2 98 - 3 - H THR 15 - HG3 ARG 27 lone 2 98 - 3 - H ALA 77 - HG2 ARG 27 lone 2 95 - 3 - H ALA 77 - HG3 ARG 27 lone 2 94 - 3 - H ALA 77 - HG3 ARG 70 lone 2 64 - 4 - 5433/4.9=2 H GLN 79 - HG3 ARG 70 lone 2 73 - 3 - H ALA 77 - HG2 ARG 26 lone 2 80 - 2 - H GLN 79 - HG2 ARG 27 lone 2 100 - 2 - H GLN 79 - HG3 ARG 27 lone 2 100 - 2 - H GLN 79 - HG2 ARG 26 lone 2 89 - 2 - H GLN 79 - HG3 ARG 17 lone 1 83 - 2 - H GLN 79 - HG2 ARG 17 lone 1 81 - 2 - H THR 15 - HG3 ARG 17 lone 1 79 - 2 - H THR 15 - HG2 ARG 17 lone 1 78 - 2 - H THR 15 - HG3 ARG 70 lone 1 69 - 2 - H ALA 77 - HG3 ARG 17 lone 1 74 - 2 - H ALA 12 - HG3 ARG 17 lone 1 50 - 2 - H ALA 77 - HG2 ARG 17 lone 1 73 - 2 - H ALA 12 - HG2 ARG 17 lone 1 49 - 2 - H ALA 12 - HG2 ARG 27 lone 1 68 - 2 - H ALA 12 - HG3 ARG 27 lone 1 68 - 2 - H ALA 12 - HG2 ARG 26 lone 1 55 - 2 - H ALA 12 - HG3 ARG 70 lone 0 42 - 1 - Peak 3761 from cnoeabs.peaks (7.95, 3.96, 54.22 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 29 + HA ALA 28 OK 100 100 - 100 - 3.6=100 H LYS 32 + HA ALA 28 OK 57 97 - 59 - 3762/2.1=11, 4.9/5530=11...(16) H VAL 76 - HA ALA 28 OK 30 99 - 30 - 812=5, 5411/3.0=5...(9) H ARG 70 - HA ALA 28 OK 17 100 - 17 - 3762/2.1=2, 907/3.0=2...(5) H ASP 67 - HA ALA 28 OK 15 81 - 18 - 277=2, 3762/2.1=2...(6) H ALA 63 - HA ALA 28 OK 12 68 - 17 - 908/3.6=4, 4.7/4687=2...(5) Peak 3762 from cnoeabs.peaks (7.95, 1.34, 17.80 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 29 + QB ALA 28 OK 94 100 - 94 - 3.6=91, 76/2.9=13...(7) H LYS 32 + QB ALA 28 OK 49 97 - 51 - 4.6/5303=14, 565=10...(13) H VAL 76 - QB ALA 28 OK 19 99 - 19 - 5411/2.9=4, 812/2.1=4...(8) H ALA 63 - QB ALA 28 poor 8 68 - 12 - 908/3.6=3, 3761/2.1=1...(4) H ASP 67 - QB ALA 28 lone 8 81 - 9 - 3761/2.1=2, 907/2.9=1 H ARG 70 - QB ALA 28 lone 7 100 - 7 - 3761/2.1=2, 907/2.9=1 Peak 3763 from cnoeabs.peaks (7.98, 4.16, 56.71 ppm; 3.48 A): 2 out of 18 assignments used, quality = 0.99: * H ALA 30 + HA LEU 29 OK 97 100 - 97 - 3.6=93, 908/3.0=17...(14) H LYS 73 + HA LYS 73 OK 81 81 - 100 - 3.0=100 H ALA 63 - HA LEU 29 OK 43 100 - 43 - 3764/3.0=7, 908/3.0=7...(16) H GLY 72 - HA LYS 73 OK 29 88 - 33 - ~3962=4, ~2955=4...(14) H LYS 73 - HA LEU 29 OK 20 93 - 22 - 908/3.0=3, 3764/3.0=3...(6) H VAL 76 - HA LYS 73 OK 19 64 - 29 - 4.0/15432=11, 5431=4...(9) H ARG 69 - HA LYS 73 OK 18 91 - 20 - 760/3.0=3, 760/3.0=2...(7) H GLY 72 - HA LEU 29 OK 14 99 - 14 - 908/3.0=3, 3764/3.0=2...(5) H ALA 30 - HA LYS 73 OK 13 91 - 14 - 80=3, 4.6/1484=2, 4.6/545=1 H ARG 69 - HA LEU 29 OK 12 100 - 12 - 908/3.0=3, 3764/3.0=2 H VAL 76 - HA LEU 29 OK 11 76 - 14 - 908/3.0=3, 5431=2, ~77=1...(6) H ALA 63 - HA LYS 73 lone 9 90 - 10 - 726/3.8=1 H ALA 30 - HA ARG 84 poor 9 64 - 14 - 5538/3.0=3, 80=2...(5) H LYS 73 - HA ARG 84 poor 8 55 - 15 - 786=3, 787/3.0=2, ~3376=1 H GLY 72 - HA ARG 84 lone 4 61 - 7 - 5397/3.6=2, 4.5/786=1 H ARG 69 - HA ARG 84 lone 4 64 - 6 - 5825/3.6=2 H VAL 76 - HA ARG 84 lone 3 42 - 8 - 5431=1, 5411/3.0=1 H ALA 63 - HA ARG 84 lone 3 63 - 4 - Peak 3764 from cnoeabs.peaks (7.98, 1.72, 41.88 ppm; 3.60 A): 5 out of 6 assignments used, quality = 0.94: * H ALA 30 + HB2 LEU 29 OK 80 100 - 80 - 4.6=49, 908/4.0=12...(16) H ALA 63 + HB2 LEU 29 OK 51 100 - 51 - 3.0/5348=9, 258/1.8=7...(20) H LYS 73 + HB2 LEU 29 OK 22 93 - 24 - 3766/3.0=3, 3.0/1484=3...(8) H GLY 72 + HB2 LEU 29 OK 17 99 - 17 - 3.6/5348=4, 908/4.0=2...(7) H ARG 69 + HB2 LEU 29 OK 12 100 - 12 - 908/4.0=2, 4.6/770=2...(4) H VAL 76 - HB2 LEU 29 lone 8 76 - 10 - 908/4.0=2, 5431/3.0=2 Peak 3765 from cnoeabs.peaks (7.98, 1.58, 41.88 ppm; 3.51 A): 3 out of 18 assignments used, quality = 0.97: * H ALA 30 + HB3 LEU 29 OK 78 100 - 78 - 4.6=45, 81/1.8=16...(16) H ALA 63 + HB3 LEU 62 OK 72 98 - 74 - 4.6=44, 254/4.0=15...(13) H ALA 63 + HB3 LEU 29 OK 55 100 - 55 - 3764/1.8=9, 258=9...(19) H ALA 30 - HB3 LEU 62 OK 40 99 - 40 - 82=7, 3907/1.8=7...(12) H LYS 73 - HB3 LEU 29 OK 21 93 - 23 - 3764/1.8=4, 3766/3.0=3...(9) H ALA 30 - HB3 LEU 86 OK 17 78 - 22 - 82=3, 84/3.1=3, 85/3.1=3...(7) H ALA 63 - HB3 LEU 86 OK 16 76 - 21 - 258=4, 260/3.1=3...(9) H ARG 69 - HB3 LEU 62 OK 16 99 - 16 - 3907/1.8=3, 3910/3.1=2...(5) H GLY 72 - HB3 LEU 62 OK 13 96 - 14 - 3907/1.8=3, 5055/3.1=2...(5) H GLY 72 - HB3 LEU 29 OK 13 99 - 13 - 3764/1.8=3, 908/4.0=2...(5) H LYS 73 - HB3 LEU 62 OK 12 90 - 13 - 3907/1.8=2, 5263/3.1=2...(4) H ARG 69 - HB3 LEU 29 OK 11 100 - 11 - 3764/1.8=2, 908/4.0=2 H VAL 76 - HB3 LEU 29 lone 7 76 - 10 - 908/4.0=2, 5431/3.0=2 H VAL 76 - HB3 LEU 62 lone 6 72 - 8 - 3907/1.8=1, 933/4.0=1 H ARG 69 - HB3 LEU 86 lone 5 78 - 7 - 288/4.6=3 H LYS 73 - HB3 LEU 86 lone 4 67 - 6 - H GLY 72 - HB3 LEU 86 lone 3 74 - 4 - H VAL 76 - HB3 LEU 86 lone 1 52 - 2 - Peak 3766 from cnoeabs.peaks (7.98, 1.67, 26.82 ppm; 4.22 A): 3 out of 6 assignments used, quality = 0.93: * H ALA 30 + HG LEU 29 OK 75 100 - 75 - 4.6/1499=17, 83=16...(15) H ALA 63 + HG LEU 29 OK 63 100 - 64 - 260/2.1=10, 3764/3.0=10...(19) H LYS 73 + HG LEU 29 OK 28 93 - 30 - 3764/3.0=4, 3.0/1498=3...(12) H GLY 72 - HG LEU 29 OK 16 99 - 16 - 3764/3.0=3, 3.6/5929=2...(7) H ARG 69 - HG LEU 29 OK 14 100 - 14 - 3764/3.0=2, 908/4.9=2...(6) H VAL 76 - HG LEU 29 poor 10 76 - 12 - 5431/3.7=2, 908/4.9=2...(4) Peak 3767 from cnoeabs.peaks (7.98, 0.88, 24.48 ppm; 4.53 A): 4 out of 18 assignments used, quality = 0.99: * H ALA 30 + QD1 LEU 29 OK 80 100 - 80 - 81/3.1=18, 84=17...(17) H ALA 63 + QD1 LEU 62 OK 76 98 - 77 - 254/4.8=20, 3907/3.1=16...(16) H ALA 63 + QD1 LEU 29 OK 74 100 - 75 - 260=15, 3766/2.1=12...(20) H ALA 30 + QD1 LEU 62 OK 55 99 - 56 - 84=11, 3907/3.1=7...(15) H ALA 30 - QD1 LEU 86 OK 42 98 - 43 - 84=8, 4.6/1488=7...(11) H ALA 63 - QD1 LEU 86 OK 38 97 - 39 - 260=7, 3.6/2570=6...(14) H LYS 73 - QD1 LEU 29 OK 34 93 - 37 - 3766/2.1=5, 3764/3.1=5...(15) H ARG 69 - QD1 LEU 62 OK 25 99 - 25 - 3910/2.1=4, 3907/3.1=3...(8) H GLY 72 - QD1 LEU 62 OK 23 97 - 24 - 5055/2.1=4, 3907/3.1=3...(10) H GLY 72 - QD1 LEU 29 OK 22 99 - 22 - 3764/3.1=3, 3766/2.1=3...(8) H LYS 73 - QD1 LEU 62 OK 20 91 - 22 - 5263/2.1=3, 3907/3.1=2...(8) H ARG 69 - QD1 LEU 29 OK 19 100 - 18 - 908/4.8=3, 3766/2.1=3...(7) H ARG 69 - QD1 LEU 86 OK 13 98 - 13 - 288/4.9=5, 291/2.1=2, 2.9/5960=1 H LYS 73 - QD1 LEU 86 OK 13 89 - 15 - 3.0/1481=1, 3768/2.1=1 H VAL 76 - QD1 LEU 29 OK 11 76 - 15 - 908/4.8=3, 5431/4.0=2...(5) H VAL 76 - QD1 LEU 62 OK 10 74 - 13 - 3910/2.1=2, 3907/3.1=2...(4) H GLY 72 - QD1 LEU 86 lone 9 95 - 9 - 4.7/5367=1 H VAL 76 - QD1 LEU 86 lone 4 71 - 5 - Peak 3768 from cnoeabs.peaks (7.98, 0.84, 23.57 ppm; 4.75 A): 2 out of 12 assignments used, quality = 0.95: * H ALA 30 + QD2 LEU 29 OK 84 100 - 84 - 81/3.1=19, 85=16...(18) H ALA 63 + QD2 LEU 29 OK 71 100 - 71 - 3766/2.1=13, 260/2.1=13...(18) H ALA 30 - QD2 LEU 86 OK 41 87 - 47 - 85=8, 84/2.1=7...(12) H LYS 73 - QD2 LEU 29 OK 35 93 - 38 - 3766/2.1=6, 3764/3.1=5...(14) H ALA 63 - QD2 LEU 86 OK 27 86 - 31 - 260/2.1=6, 2.9/4681=4...(11) H GLY 72 - QD2 LEU 29 OK 22 99 - 22 - 3764/3.1=4, 3766/2.1=3...(7) H ARG 69 - QD2 LEU 29 OK 19 100 - 18 - 908/4.8=3, 3766/2.1=3...(8) H ARG 69 - QD2 LEU 86 OK 14 87 - 16 - 288/4.9=5, 4.6/5831=1 H VAL 76 - QD2 LEU 29 OK 12 76 - 16 - 908/4.8=3, 5431/4.0=3...(4) H LYS 73 - QD2 LEU 86 OK 11 77 - 15 - 3.0/1512=1 H GLY 72 - QD2 LEU 86 poor 9 84 - 10 - 3.6/5349=1 H VAL 76 - QD2 LEU 86 lone 3 60 - 6 - Peak 3769 from cnoeabs.peaks (7.71, 4.13, 53.99 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * H MET 31 + HA ALA 30 OK 100 100 - 100 - 3.6=100 H GLU 50 - HA ALA 30 OK 16 83 - 19 - 182=4, 3770/2.1=3...(6) H GLN 61 - HA ALA 30 OK 11 71 - 15 - 3770/2.1=4, 909/3.0=4...(4) H ASN 42 - HA ALA 30 lone 9 97 - 9 - 909/3.0=4, 3770/2.1=3 H TYR 55 - HA ALA 30 lone 9 89 - 10 - 909/3.0=3, 3770/2.1=3, 4582=2 Peak 3770 from cnoeabs.peaks (7.71, 1.45, 18.15 ppm; 3.81 A): 1 out of 5 assignments used, quality = 1.00: * H MET 31 + QB ALA 30 OK 100 100 - 100 - 3.6=100 H GLN 61 - QB ALA 30 OK 19 71 - 27 - 4.0/5305=7, 909/2.9=4...(9) H ASN 42 - QB ALA 30 OK 14 97 - 14 - 909/2.9=4, 3769/2.1=2...(5) H GLU 50 - QB ALA 30 OK 13 83 - 16 - 3769/2.1=4, 909/2.9=3...(5) H TYR 55 - QB ALA 30 OK 12 89 - 13 - 909/2.9=3, 4582/4.5=2...(4) Peak 3771 from cnoeabs.peaks (7.94, 4.42, 55.00 ppm; 3.63 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 32 + HA MET 31 OK 100 100 - 100 - 3.6=100 H LEU 29 - HA MET 31 OK 35 97 - 36 - 5525/3.0=9, 4.6/6117=8...(10) H ASP 67 - HA MET 31 OK 16 97 - 16 - 3772/3.0=3, 910/3.0=3...(7) H VAL 76 - HA MET 31 OK 15 85 - 18 - 910/3.0=2, 4.5/6117=2...(8) H ARG 70 - HA MET 31 OK 12 96 - 13 - 910/3.0=2, 3772/3.0=2...(6) Peak 3772 from cnoeabs.peaks (7.94, 1.94, 32.66 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 32 + HB2 MET 31 OK 100 100 - 100 - 4.7=100 H LEU 29 + HB2 MET 31 OK 51 97 - 53 - 5525/4.0=14, 3771/3.0=8...(11) H ASP 67 - HB2 MET 31 OK 40 97 - 41 - 5087/4.3=5, 279=5...(15) H VAL 76 - HB2 MET 31 OK 29 85 - 34 - 3774/3.0=4, 3775/3.0=4...(13) H ARG 70 - HB2 MET 31 OK 26 96 - 27 - 3774/3.0=3, 3775/3.0=3...(9) Peak 3773 from cnoeabs.peaks (7.94, 2.07, 32.66 ppm; 4.27 A): 3 out of 15 assignments used, quality = 0.97: * H LYS 32 + HB3 MET 31 OK 90 100 - 90 - 4.7=77, 90/3.0=29...(9) H VAL 76 + HB VAL 76 OK 48 48 - 100 - 4.0=100 H LEU 29 + HB3 MET 31 OK 45 97 - 47 - 5525/4.0=11, 3771/3.0=7...(10) H ASP 67 - HB3 MET 31 OK 26 97 - 26 - 3772/1.8=5, 5087/4.3=4...(9) H VAL 76 - HB3 MET 31 OK 23 85 - 27 - 3772/1.8=4, 3774/3.0=3...(11) H ARG 70 - HB3 MET 31 OK 19 96 - 20 - 3772/1.8=3, 3771/3.0=3...(6) H ARG 70 - HB VAL 76 OK 13 58 - 23 - 295/4.0=4, 5830/2.1=4...(7) H LEU 29 - HB VAL 76 OK 12 59 - 20 - 77/3.0=4, 76/4.4=3...(8) H LYS 32 - HB VAL 76 OK 10 65 - 16 - 561/3.0=3, 3.6/1537=2...(7) H LYS 32 - HB3 PRO 44 poor 7 47 - 14 - 3.6/1527=2, 4.7/1533=2...(7) H ASP 67 - HB VAL 76 lone 3 60 - 5 - 277/3.0=2 H LEU 29 - HB3 PRO 44 lone 2 42 - 4 - H ASP 67 - HB3 PRO 44 lone 1 43 - 3 - H VAL 76 - HB3 PRO 44 lone 1 34 - 3 - H ARG 70 - HB3 PRO 44 lone 1 41 - 2 - Peak 3774 from cnoeabs.peaks (7.94, 2.63, 32.57 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 32 + HG2 MET 31 OK 99 100 - 99 - 4.9=98, 90/4.2=27...(14) H LEU 29 + HG2 MET 31 OK 56 97 - 58 - 3.6/5530=18, 5525/4.7=13...(10) H ASP 67 - HG2 MET 31 OK 35 97 - 36 - 5087/3.3=6, 3772/3.0=5...(12) H VAL 76 - HG2 MET 31 OK 31 85 - 36 - 3775/1.8=5, 5087/3.3=4...(16) H ARG 70 - HG2 MET 31 OK 24 96 - 25 - 3775/1.8=4, 3772/3.0=4...(8) Peak 3775 from cnoeabs.peaks (7.94, 2.52, 32.57 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 32 + HG3 MET 31 OK 100 100 - 100 - 4.9=100 H LEU 29 + HG3 MET 31 OK 55 97 - 57 - 5525/4.7=13, 3.6/5533=10...(11) H ASP 67 - HG3 MET 31 OK 33 97 - 34 - 5087/3.3=6, 3774/1.8=6...(10) H VAL 76 - HG3 MET 31 OK 31 85 - 36 - 3774/1.8=5, 5087/3.3=4...(15) H ARG 70 - HG3 MET 31 OK 24 96 - 24 - 3774/1.8=4, 3772/3.0=4...(8) Peak 3776 from cnoeabs.peaks (7.91, 3.98, 56.13 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.76: * H ILE 33 + HA LYS 32 OK 76 100 - 76 - 3.6=67, 3779/3.9=11...(9) H ASP 67 - HA LYS 32 lone 6 71 - 8 - 277=1, 3779/3.9=1 Peak 3777 from cnoeabs.peaks (7.91, 1.77, 30.20 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: H ILE 33 + HB3 LYS 32 OK 100 100 - 100 - 4.3=100 * H ILE 33 + HB2 LYS 32 OK 100 100 - 100 - 4.3=100 H ILE 33 - HB2 PRO 34 OK 45 65 - 69 - ~4216=15, ~4217=13...(17) H ASP 67 - HB2 LYS 32 poor 9 71 - 13 - 3776/3.0=3, 3779/2.9=3, ~6058=2 H ASP 67 - HB3 LYS 32 poor 9 71 - 13 - 3776/3.0=3, 3779/2.9=3, ~6058=2 H ILE 33 - HB3 ARG 82 lone 5 80 - 6 - H ASP 67 - HB3 ARG 82 lone 2 50 - 4 - H ILE 33 - HB3 ARG 84 lone 2 49 - 3 - H ASP 67 - HB2 PRO 34 lone 2 38 - 4 - H ASP 67 - HB3 ARG 84 lone 1 28 - 3 - Peak 3778 from cnoeabs.peaks (7.91, 1.77, 30.20 ppm; 4.45 A): 2 out of 10 assignments used, quality = 1.00: * H ILE 33 + HB3 LYS 32 OK 100 100 - 100 - 4.3=100 H ILE 33 + HB2 LYS 32 OK 100 100 - 100 - 4.3=100 H ILE 33 - HB2 PRO 34 OK 45 65 - 69 - ~4216=15, ~4217=13...(17) H ASP 67 - HB2 LYS 32 poor 9 71 - 13 - 3776/3.0=3, 3779/2.9=3, ~6058=2 H ASP 67 - HB3 LYS 32 poor 9 71 - 13 - 3776/3.0=3, 3779/2.9=3, ~6058=2 H ILE 33 - HB3 ARG 82 lone 5 80 - 6 - H ASP 67 - HB3 ARG 82 lone 2 50 - 4 - H ILE 33 - HB3 ARG 84 lone 2 49 - 3 - H ASP 67 - HB2 PRO 34 lone 2 38 - 4 - H ASP 67 - HB3 ARG 84 lone 1 28 - 3 - Peak 3779 from cnoeabs.peaks (7.91, 1.28, 24.60 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.75: * H ILE 33 + HG2 LYS 32 OK 75 100 - 75 - 99=36, 3776/3.9=33...(9) H ASP 67 - HG2 LYS 32 poor 7 71 - 10 - 3776/3.9=2, 3.6/1585=2...(5) Peak 3787 from cnoeabs.peaks (6.31, 4.32, 63.87 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HA PRO 34 OK 100 100 - 100 - 3.6=100 Peak 3790 from cnoeabs.peaks (6.31, 1.76, 26.58 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.96: * H PHE 35 + HG2 PRO 34 OK 96 100 - 96 - 5564/1.8=46, 5553/2.3=41...(18) Peak 3794 from cnoeabs.peaks (8.81, 4.61, 62.34 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.81: * H THR 37 + HA PRO 36 OK 79 100 - 79 - 3.6=71, 4.6/4290=9...(7) H LEU 62 + HA PRO 36 OK 11 98 - 11 - 3795/2.3=3, 3796/2.3=3...(5) Peak 3795 from cnoeabs.peaks (8.81, 2.12, 32.41 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: * H THR 37 + HB2 PRO 36 OK 100 100 - 100 - 4.0=100 H LEU 62 - HB2 PRO 36 OK 33 98 - 34 - 3796/1.8=7, 3794/2.3=6...(11) Peak 3796 from cnoeabs.peaks (8.81, 2.45, 32.41 ppm; 4.51 A): 1 out of 4 assignments used, quality = 1.00: * H THR 37 + HB3 PRO 36 OK 100 100 - 100 - 4.0=100 H LEU 62 - HB3 PRO 36 OK 25 98 - 25 - 3795/1.8=8, 3794/2.3=6...(6) H THR 37 - HB2 PRO 44 OK 24 56 - 43 - 3.6/1775=10, 4.0/1782=10...(8) H LEU 62 - HB2 PRO 44 lone 5 53 - 9 - 4676/3.0=3, ~4677=1 Peak 3797 from cnoeabs.peaks (8.81, 2.09, 27.61 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.94: H THR 37 + HG3 PRO 36 OK 72 100 - 72 - 112/3.8=40, 115=14...(9) * H THR 37 + HG2 PRO 36 OK 72 100 - 72 - 112/3.8=40, 115=14...(9) H LEU 62 + HG3 PRO 36 OK 28 98 - 29 - 3795/2.3=10, 3796/2.3=7...(5) H LEU 62 - HG2 PRO 36 OK 28 98 - 28 - 3795/2.3=10, 3796/2.3=7...(5) H THR 37 - HG3 PRO 56 OK 15 75 - 20 - 115=3, 3.6/1794=3...(7) H LEU 62 - HG3 PRO 56 lone 3 71 - 4 - Peak 3798 from cnoeabs.peaks (8.81, 2.10, 27.61 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.94: * H THR 37 + HG3 PRO 36 OK 72 100 - 72 - 112/3.8=40, 115=14...(9) H THR 37 + HG2 PRO 36 OK 72 100 - 72 - 112/3.8=40, 115=14...(9) H LEU 62 + HG3 PRO 36 OK 28 98 - 29 - 3795/2.3=10, 3796/2.3=7...(5) H LEU 62 - HG2 PRO 36 OK 28 98 - 28 - 3795/2.3=10, 3796/2.3=7...(5) H THR 37 - HG3 PRO 56 OK 15 74 - 20 - 115=3, 3.6/1794=3...(8) H LEU 62 - HG3 PRO 56 lone 3 70 - 4 - Peak 3799 from cnoeabs.peaks (8.70, 3.94, 64.91 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + HA THR 37 OK 100 100 - 100 - 3.6=100 Peak 3800 from cnoeabs.peaks (8.70, 4.22, 68.34 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.89: * H ASP 38 + HB THR 37 OK 89 100 - 89 - 4.4=83, 912/3.8=28...(4) Peak 3801 from cnoeabs.peaks (8.70, 1.17, 22.48 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + QG2 THR 37 OK 100 100 - 100 - 4.1=100 Peak 3802 from cnoeabs.peaks (7.39, 4.28, 56.69 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA ASP 38 OK 100 100 - 100 - 3.6=100 H LEU 64 - HA ASP 38 OK 21 65 - 32 - 913/3.0=5, 4.4/4890=3...(16) Peak 3803 from cnoeabs.peaks (7.39, 2.62, 40.03 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HB2 ASP 38 OK 100 100 - 100 - 4.7=100 H LYS 39 + HB3 ASP 38 OK 100 100 - 100 - 4.7=100 H LEU 64 - HB2 ASP 38 OK 17 65 - 25 - 3802/3.0=5, 4.4/5021=4...(8) H LEU 64 - HB3 ASP 38 OK 17 65 - 25 - 3802/3.0=5, 4.4/5021=4...(8) Peak 3804 from cnoeabs.peaks (7.39, 2.62, 40.03 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HB3 ASP 38 OK 100 100 - 100 - 4.7=100 H LYS 39 + HB2 ASP 38 OK 100 100 - 100 - 4.7=100 H LEU 64 - HB2 ASP 38 OK 17 65 - 25 - 3802/3.0=5, 4.4/5021=4...(8) H LEU 64 - HB3 ASP 38 OK 17 65 - 25 - 3802/3.0=5, 4.4/5021=4...(8) Peak 3805 from cnoeabs.peaks (7.24, 4.25, 57.41 ppm; 4.77 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 40 + HA LYS 39 OK 100 100 - 100 - 3.6=100 H ALA 53 - HA LYS 39 OK 28 76 - 37 - 4.6/6081=8, 914/3.0=5...(11) HE ARG 54 - HA LYS 39 OK 20 78 - 26 - 914/3.0=4, 4.7/1836=4...(7) H ASP 47 - HA LYS 39 poor 8 71 - 12 - 914/3.0=2, 5633/5790=2...(4) Peak 3806 from cnoeabs.peaks (7.24, 1.85, 32.41 ppm; 4.93 A): 1 out of 8 assignments used, quality = 1.00: * H ILE 40 + HB2 LYS 39 OK 100 100 - 100 - 4.4=100 H ILE 40 - HB2 LYS 75 OK 35 87 - 41 - 3.6/1834=9, 129=8...(12) H ALA 53 - HB2 LYS 39 OK 22 76 - 29 - 3805/3.0=6, 914/4.0=4...(11) HE ARG 54 - HB2 LYS 39 OK 19 78 - 24 - 3805/3.0=5, 914/4.0=4...(10) H ASP 47 - HB2 LYS 39 lone 6 71 - 9 - 914/4.0=2, 3805/3.0=2 H ALA 53 - HB2 LYS 75 poor 6 60 - 10 - 4963/1.8=1, 673/2.7=1, 673/2.7=1 HE ARG 54 - HB2 LYS 75 lone 3 62 - 5 - H ASP 47 - HB2 LYS 75 lone 2 55 - 3 - Peak 3807 from cnoeabs.peaks (7.24, 1.78, 32.41 ppm; 5.24 A): 1 out of 24 assignments used, quality = 1.00: * H ILE 40 + HB3 LYS 39 OK 100 100 - 100 - 4.4=100 H ILE 40 - HB3 LYS 75 OK 39 93 - 42 - 3806/1.8=8, 3.6/1835=7...(11) H ILE 40 - HB2 LYS 13 OK 29 99 - 29 - ~4819=4, 602/4.8=3...(12) H ALA 53 - HB3 LYS 39 OK 28 76 - 38 - 3805/3.0=7, 3806/1.8=5...(12) HE ARG 54 - HB3 LYS 39 OK 23 78 - 30 - 3805/3.0=5, 3806/1.8=4...(12) H ALA 53 - HB3 LYS 73 OK 23 74 - 30 - 203/2.9=4, 4963=4...(11) H ILE 40 - HB3 LYS 73 OK 18 100 - 18 - 3.6/1835=3, 4.6/1852=3...(5) H ILE 40 - HB2 LYS 85 poor 10 75 - 13 - 4.0/4303=1, 3.6/1835=1...(4) H ILE 40 - HB2 LYS 83 lone 9 94 - 9 - 128/3.0=1, 3.6/1835=1 H ALA 53 - HB3 LYS 75 poor 9 66 - 14 - 4963=2, 3806/1.8=1...(5) H ALA 53 - HB2 LYS 13 lone 7 73 - 10 - 201/4.8=3, 4963=1 H ASP 47 - HB3 LYS 39 lone 7 71 - 10 - 914/4.0=2, 3805/3.0=2 HE ARG 54 - HB3 LYS 73 lone 5 77 - 7 - 5.9/2301=1 H ASP 47 - HB2 LYS 13 lone 5 68 - 7 - 4456/3.0=2, 4456/3.0=1 HE ARG 54 - HB3 LYS 75 lone 4 68 - 6 - H ALA 53 - HB2 LYS 85 lone 3 50 - 7 - H ALA 53 - HB2 LYS 83 lone 3 67 - 5 - HE ARG 54 - HB2 LYS 13 lone 3 75 - 3 - H ASP 47 - HB3 LYS 75 lone 2 61 - 4 - H ASP 47 - HB3 LYS 73 lone 2 69 - 3 - HE ARG 54 - HB2 LYS 83 lone 2 69 - 3 - H ASP 47 - HB2 LYS 85 lone 2 46 - 4 - H ASP 47 - HB2 LYS 83 lone 1 62 - 2 - HE ARG 54 - HB2 LYS 85 lone 1 51 - 2 - Peak 3814 from cnoeabs.peaks (7.63, 3.63, 64.52 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + HA ILE 40 OK 100 100 - 100 - 3.6=100 HD21 ASN 42 + HA ILE 40 OK 65 100 - 66 - 915/3.0=14, 3815/3.0=13...(14) HD21 ASN 74 - HA ILE 40 OK 25 92 - 27 - 3815/3.0=5, 3816/3.2=5...(7) Peak 3815 from cnoeabs.peaks (7.63, 2.12, 38.15 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.96: * H VAL 41 + HB ILE 40 OK 91 100 - 91 - 4.5=70, 137/3.9=18...(17) HD21 ASN 42 + HB ILE 40 OK 61 100 - 61 - 3816/2.1=11, 915/3.9=9...(17) HD21 ASN 74 - HB ILE 40 OK 21 92 - 22 - 3816/2.1=4, ~6022=3...(7) Peak 3816 from cnoeabs.peaks (7.63, 0.93, 18.83 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + QG2 ILE 40 OK 100 100 - 100 - 4.4=98, 139/2.1=24...(19) HD21 ASN 42 + QG2 ILE 40 OK 73 100 - 73 - 3815/2.1=14, 4363=12...(22) HD21 ASN 74 - QG2 ILE 40 OK 27 92 - 29 - 1.7/6022=6, 3815/2.1=5...(7) Peak 3817 from cnoeabs.peaks (7.63, 1.90, 28.19 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.98: * H VAL 41 + HG12 ILE 40 OK 91 100 - 91 - 143/2.1=30, 137/4.6=26...(23) HD21 ASN 42 + HG12 ILE 40 OK 79 100 - 79 - 3815/2.9=16, 3816/3.2=15...(18) HD21 ASN 74 - HG12 ILE 40 OK 33 92 - 35 - 4900/2.1=6, 5621/1.8=6...(7) Peak 3820 from cnoeabs.peaks (7.72, 3.58, 65.23 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 42 + HA VAL 41 OK 100 100 - 100 - 3.6=100 H GLU 50 - HA VAL 41 OK 37 98 - 38 - 916/3.0=8, 3821/3.0=6...(12) H MET 31 - HA VAL 41 OK 30 97 - 31 - 3821/3.0=8, 3823/3.2=6...(7) H TYR 55 - HA VAL 41 poor 8 63 - 13 - 4.6/5630=3, 916/3.0=2...(5) Peak 3821 from cnoeabs.peaks (7.72, 1.93, 32.20 ppm; 3.74 A): 3 out of 4 assignments used, quality = 0.91: * H ASN 42 + HB VAL 41 OK 83 100 - 83 - 4.4=59, 147/2.1=18...(10) H MET 31 + HB VAL 41 OK 31 97 - 32 - 556=8, 3823/2.1=5...(10) H GLU 50 + HB VAL 41 OK 24 98 - 25 - 3823/2.1=5, 3822/2.1=5...(7) H TYR 55 - HB VAL 41 poor 7 63 - 12 - 3.8/4588=2, 3823/2.1=1...(5) Peak 3822 from cnoeabs.peaks (7.72, 0.80, 21.38 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 42 + QG1 VAL 41 OK 100 100 - 100 - 4.1=100 H MET 31 - QG1 VAL 41 OK 34 97 - 35 - 3821/2.1=9, 3823/2.1=7...(8) H GLU 50 - QG1 VAL 41 OK 33 98 - 34 - 3823/2.1=7, 3821/2.1=7...(7) H TYR 55 - QG1 VAL 41 poor 8 63 - 13 - 3821/2.1=2, 3823/2.1=2...(5) Peak 3823 from cnoeabs.peaks (7.72, 0.94, 22.13 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 42 + QG2 VAL 41 OK 100 100 - 100 - 4.1=100 H MET 31 - QG2 VAL 41 OK 34 97 - 35 - 3821/2.1=9, 3822/2.1=7...(9) H GLU 50 - QG2 VAL 41 OK 34 98 - 34 - 3821/2.1=7, 3822/2.1=7...(8) H TYR 55 - QG2 VAL 41 poor 8 63 - 13 - 3821/2.1=2, 3822/2.1=2...(5) Peak 3824 from cnoeabs.peaks (7.52, 4.68, 53.88 ppm; 3.22 A): 2 out of 4 assignments used, quality = 0.84: * H LEU 43 + HA ASN 42 OK 82 100 - 82 - 3.6=74, 149/3.0=15...(5) H LEU 51 + HA ASN 42 OK 12 97 - 12 - 187/3.0=7, ~4944=2 H ARG 54 - HA ASN 42 lone 6 97 - 6 - 917/3.0=4 HD21 ASN 80 - HA ASN 42 lone 4 71 - 5 - 6023/3.0=1, 6023/3.0=1 Peak 3825 from cnoeabs.peaks (7.52, 2.76, 39.67 ppm; 4.57 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 43 + HB2 ASN 42 OK 100 100 - 100 - 4.4=100 H LEU 43 + HB3 ASN 42 OK 100 100 - 100 - 4.4=100 H LEU 51 - HB3 ASN 42 OK 18 96 - 19 - 187/4.1=10, 3824/3.0=5...(4) H LEU 51 - HB2 ASN 42 OK 18 97 - 19 - 187/4.1=10, 3824/3.0=5...(4) HD21 ASN 80 - HB2 ASN 42 OK 12 71 - 17 - 6023=3, 6023/1.8=3...(8) HD21 ASN 80 - HB3 ASN 42 OK 12 71 - 17 - 6023=3, 6023/1.8=3...(8) H ARG 54 - HB3 ASN 42 OK 11 97 - 11 - 917/4.1=5, 3824/3.0=2 H ARG 54 - HB2 ASN 42 OK 11 97 - 11 - 917/4.1=5, 3824/3.0=2 Peak 3826 from cnoeabs.peaks (7.52, 2.76, 39.67 ppm; 4.57 A): 2 out of 8 assignments used, quality = 1.00: * H LEU 43 + HB3 ASN 42 OK 100 100 - 100 - 4.4=100 H LEU 43 + HB2 ASN 42 OK 100 100 - 100 - 4.4=100 H LEU 51 - HB3 ASN 42 OK 18 97 - 19 - 187/4.1=10, 3824/3.0=5...(5) H LEU 51 - HB2 ASN 42 OK 18 96 - 19 - 187/4.1=10, 3824/3.0=5...(4) HD21 ASN 80 - HB2 ASN 42 OK 12 71 - 17 - 6023=3, 6023/1.8=3...(8) HD21 ASN 80 - HB3 ASN 42 OK 12 71 - 17 - 6023=3, 6023/1.8=3...(8) H ARG 54 - HB3 ASN 42 OK 11 97 - 11 - 917/4.1=5, 3824/3.0=2 H ARG 54 - HB2 ASN 42 OK 11 97 - 11 - 917/4.1=5, 3824/3.0=2 Peak 3829 from cnoeabs.peaks (8.62, 4.57, 62.40 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.95: * H VAL 45 + HA PRO 44 OK 95 100 - 95 - 3.6=87, 156/2.3=20...(12) H ASN 49 - HA PRO 44 OK 14 68 - 20 - 3831/2.3=4, 3830/2.3=4...(8) Peak 3830 from cnoeabs.peaks (8.62, 2.48, 32.30 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 45 + HB2 PRO 44 OK 100 100 - 100 - 4.2=100 H ASN 49 - HB2 PRO 44 OK 28 68 - 41 - 4.6/5132=10, 3831/1.8=9...(9) H VAL 45 - HB3 PRO 36 OK 20 56 - 35 - 3.6/2059=11, 4.2/2073=10...(7) H ASN 49 - HB3 PRO 36 lone 2 32 - 7 - Peak 3831 from cnoeabs.peaks (8.62, 2.09, 32.30 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 45 + HB3 PRO 44 OK 100 100 - 100 - 4.2=100 H ASN 49 - HB3 PRO 44 OK 28 68 - 42 - 4.6/5131=11, 3.6/2077=7...(9) H VAL 45 - HB3 MET 31 lone 4 47 - 9 - 3.6/2072=2, 4.2/2073=1, 157=1 H ASN 49 - HB3 MET 31 lone 2 26 - 8 - 922/4.0=3, ~6118=1 Peak 3834 from cnoeabs.peaks (8.77, 3.69, 66.64 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 46 + HA VAL 45 OK 100 100 - 100 - 3.5=100 H PHE 48 + HA VAL 45 OK 83 100 - 83 - 4.0/4407=24, 4451=21...(15) Peak 3835 from cnoeabs.peaks (8.77, 2.06, 31.70 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.97: * H ASP 46 + HB VAL 45 OK 92 100 - 92 - 4.4=65, 166/2.1=35...(11) H PHE 48 + HB VAL 45 OK 59 100 - 59 - 3837/2.1=17, 3836/2.1=14...(13) Peak 3836 from cnoeabs.peaks (8.77, 1.07, 22.09 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 46 + QG2 VAL 45 OK 99 100 - 99 - 4.2=96, 166/2.1=38...(11) H PHE 48 + QG2 VAL 45 OK 80 100 - 80 - 4.4/4421=18, 3837/2.1=18...(13) Peak 3837 from cnoeabs.peaks (8.77, 0.99, 19.47 ppm; 3.27 A): 2 out of 2 assignments used, quality = 0.91: * H ASP 46 + QG1 VAL 45 OK 80 100 - 80 - 4.2=46, 165/2.1=23...(11) H PHE 48 + QG1 VAL 45 OK 54 100 - 54 - 3835/2.1=10, 3836/2.1=10...(13) Peak 3838 from cnoeabs.peaks (7.27, 4.49, 57.78 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 47 + HA ASP 46 OK 100 100 - 100 - 3.6=100 H ASP 47 - HA ASP 67 OK 29 90 - 32 - 168=8, 4.6/632=4...(13) HE ARG 54 - HA ASP 46 OK 22 100 - 22 - 919/3.0=8, 3840/3.0=5...(6) H ILE 40 - HA ASP 46 lone 6 71 - 9 - 919/3.0=2, 3839/3.0=1 HE ARG 54 - HA ASP 67 lone 4 89 - 4 - H ILE 40 - HA ASP 67 lone 3 57 - 5 - ~5807=3 Peak 3839 from cnoeabs.peaks (7.27, 2.70, 39.53 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.96: * H ASP 47 + HB2 ASP 46 OK 96 100 - 96 - 4.6=90, 3840/1.8=33...(7) HE ARG 54 - HB2 ASP 46 OK 19 100 - 19 - 3840/1.8=6, 919/4.0=6 H ILE 40 - HB2 ASP 46 lone 6 71 - 8 - 919/4.0=2, 3840/1.8=2 Peak 3840 from cnoeabs.peaks (7.27, 2.55, 39.53 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.93: * H ASP 47 + HB3 ASP 46 OK 92 100 - 92 - 4.6=81, 169/1.8=31...(7) HE ARG 54 + HB3 ASP 46 OK 18 100 - 18 - 919/4.0=6, 3839/1.8=6...(4) H ILE 40 - HB3 ASP 46 lone 5 71 - 7 - 919/4.0=2, 3839/1.8=2 Peak 3841 from cnoeabs.peaks (8.77, 4.39, 56.46 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HA ASP 47 OK 100 100 - 100 - 3.6=100 H ASP 46 + HA ASP 47 OK 61 100 - 61 - 919/3.0=32, 3842/3.0=12...(12) Peak 3842 from cnoeabs.peaks (8.77, 2.67, 40.94 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB2 ASP 47 OK 100 100 - 100 - 4.3=100 H ASP 46 + HB2 ASP 47 OK 65 100 - 66 - 919/4.1=27, 3841/3.0=13...(16) Peak 3843 from cnoeabs.peaks (8.77, 2.59, 40.94 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 48 + HB3 ASP 47 OK 100 100 - 100 - 4.3=100 H ASP 46 + HB3 ASP 47 OK 64 100 - 64 - 919/4.1=29, 3842/1.8=17...(13) H ASP 46 - HB3 ASP 24 OK 26 59 - 45 - 634/1.8=10, 632/3.0=9...(10) H PHE 48 - HB3 ASP 24 OK 23 60 - 38 - 174=10, 3.6/2128=9...(9) Peak 3844 from cnoeabs.peaks (8.65, 4.03, 60.97 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 49 + HA PHE 48 OK 100 100 - 100 - 3.6=100 H VAL 45 + HA PHE 48 OK 55 68 - 81 - ~4407=20, 921/3.0=15...(16) Peak 3845 from cnoeabs.peaks (8.65, 3.13, 38.68 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.99: * H ASN 49 + HB2 PHE 48 OK 97 100 - 97 - 4.3=87, 180/2.5=26...(12) H VAL 45 + HB2 PHE 48 OK 53 68 - 78 - 3.0/4407=30, 4.0/4409=17...(13) Peak 3846 from cnoeabs.peaks (8.65, 2.88, 38.68 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 49 + HB3 PHE 48 OK 100 100 - 100 - 4.3=100 H VAL 45 + HB3 PHE 48 OK 54 68 - 79 - ~4407=23, 3.0/4406=16...(13) H ASN 49 - HB3 PHE 35 OK 15 61 - 25 - 4.3/2151=4, 3.6/2140=4...(10) H ASN 49 - HB2 PHE 35 OK 12 55 - 22 - 4.5/4549=5, 647/1.8=4...(8) H VAL 45 - HB3 PHE 35 lone 3 34 - 10 - 3.0/4406=2, 4.0/4408=1 H VAL 45 - HB2 PHE 35 lone 2 31 - 7 - ~4406=1 Peak 3848 from cnoeabs.peaks (7.73, 4.14, 55.66 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 50 + HA ASN 49 OK 100 100 - 100 - 3.6=100 H ASN 42 - HA ASN 49 OK 24 98 - 24 - 922/3.0=8, 3850/3.0=5...(6) H MET 31 - HA ASN 49 OK 22 83 - 26 - 922/3.0=5, 87=4...(9) Peak 3849 from cnoeabs.peaks (7.73, 2.90, 37.13 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 50 + HB2 ASN 49 OK 100 100 - 100 - 4.2=100 H ASN 42 - HB2 ASN 49 OK 17 98 - 18 - 922/4.0=6, 3850/1.8=5 H MET 31 - HB2 ASN 49 OK 15 83 - 18 - 3848/3.0=4, 3850/1.8=4...(4) Peak 3850 from cnoeabs.peaks (7.73, 2.68, 37.13 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 50 + HB3 ASN 49 OK 100 100 - 100 - 4.2=100 H ASN 42 - HB3 ASN 49 OK 18 98 - 19 - 922/4.0=6, 3849/1.8=5...(4) H MET 31 - HB3 ASN 49 OK 15 83 - 18 - 3848/3.0=4, 3849/1.8=4...(4) Peak 3851 from cnoeabs.peaks (7.53, 3.96, 59.12 ppm; 4.27 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 51 + HA GLU 50 OK 100 100 - 100 - 3.6=100 H ARG 54 - HA GLU 50 OK 42 100 - 43 - 3.6/4962=14, 4.6/4509=11...(9) H ARG 54 - HA GLN 61 OK 28 97 - 29 - 927/3.0=9, 4.6/4509=5...(7) H LEU 43 - HA GLU 50 OK 23 97 - 24 - 149/3.0=8, 4942/3.7=3...(8) H LEU 51 - HA GLN 61 OK 21 97 - 22 - 188=5, 4.6/4941=4...(7) H LEU 43 - HA GLN 61 lone 9 91 - 10 - 4.8/4504=1, 4.8/4505=1 HD21 ASN 80 - HA GLU 50 lone 8 93 - 8 - 923/3.0=2, 4942/3.7=1 HD21 ASN 80 - HA GLN 61 lone 2 87 - 2 - Peak 3852 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 2 out of 16 assignments used, quality = 0.97: * H LEU 51 + HB2 GLU 50 OK 81 100 - 81 - 4.7=60, 187/3.9=16...(13) H LEU 51 + HB3 GLU 50 OK 81 100 - 81 - 4.7=60, 187/3.9=16...(13) H ARG 54 - HB3 GLU 50 OK 28 100 - 28 - 3.6/5699=6, 923/3.9=6...(6) H ARG 54 - HB2 GLU 50 OK 28 100 - 28 - 3.6/5699=6, 923/3.9=6...(6) H LEU 43 - HB2 GLU 50 OK 16 97 - 17 - 149/3.9=5, 3851/3.0=3...(5) H LEU 43 - HB3 GLU 50 OK 16 97 - 17 - 149/3.9=5, 3851/3.0=3...(5) H LEU 51 - HB2 GLU 25 poor 8 76 - 11 - 189=2, 189/1.8=1, 3.0/5679=1 H LEU 51 - HB3 GLU 25 poor 8 74 - 10 - 189=2, 189/1.8=1, 3.0/5679=1 HD21 ASN 80 - HB3 GLU 50 lone 6 93 - 6 - 923/3.9=2, 4942/3.0=1 HD21 ASN 80 - HB2 GLU 50 lone 6 93 - 6 - 923/3.9=2, 4942/3.0=1 H ARG 54 - HB2 GLU 25 lone 3 76 - 3 - H ARG 54 - HB3 GLU 25 lone 2 74 - 3 - H LEU 43 - HB2 GLU 25 lone 2 70 - 3 - H LEU 43 - HB3 GLU 25 lone 2 68 - 3 - HD21 ASN 80 - HB2 GLU 25 lone 1 66 - 1 - HD21 ASN 80 - HB3 GLU 25 lone 1 64 - 1 - Peak 3853 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 2 out of 16 assignments used, quality = 0.97: H LEU 51 + HB2 GLU 50 OK 81 100 - 81 - 4.7=60, 187/3.9=16...(13) * H LEU 51 + HB3 GLU 50 OK 81 100 - 81 - 4.7=60, 187/3.9=16...(13) H ARG 54 - HB3 GLU 50 OK 28 100 - 28 - 3.6/5699=6, 923/3.9=6...(6) H ARG 54 - HB2 GLU 50 OK 28 100 - 28 - 3.6/5699=6, 923/3.9=6...(6) H LEU 43 - HB2 GLU 50 OK 16 97 - 17 - 149/3.9=5, 3851/3.0=3...(5) H LEU 43 - HB3 GLU 50 OK 16 97 - 17 - 149/3.9=5, 3851/3.0=3...(5) H LEU 51 - HB2 GLU 25 poor 8 76 - 11 - 189=2, 189/1.8=1, 3.0/5679=1 H LEU 51 - HB3 GLU 25 poor 8 74 - 10 - 189=2, 189/1.8=1, 3.0/5679=1 HD21 ASN 80 - HB3 GLU 50 lone 6 93 - 6 - 923/3.9=2, 4942/3.0=1 HD21 ASN 80 - HB2 GLU 50 lone 6 93 - 6 - 923/3.9=2, 4942/3.0=1 H ARG 54 - HB2 GLU 25 lone 3 76 - 3 - H ARG 54 - HB3 GLU 25 lone 2 74 - 3 - H LEU 43 - HB2 GLU 25 lone 2 70 - 3 - H LEU 43 - HB3 GLU 25 lone 2 68 - 3 - HD21 ASN 80 - HB2 GLU 25 lone 1 66 - 1 - HD21 ASN 80 - HB3 GLU 25 lone 1 64 - 1 - Peak 3855 from cnoeabs.peaks (7.53, 2.21, 36.01 ppm; 4.83 A): 7 out of 20 assignments used, quality = 0.93: * H LEU 51 + HG3 GLU 50 OK 64 100 - 64 - 192=22, 187/4.9=18...(8) H LEU 51 + HG2 GLU 87 OK 35 99 - 36 - 192=11, 192/1.8=9...(7) H LEU 51 + HG3 GLU 87 OK 35 98 - 35 - 192=11, 192/1.8=9...(7) H ARG 54 + HG3 GLU 50 OK 26 100 - 27 - 4942/1.8=8, 923/4.9=7...(5) H LEU 43 + HG3 GLU 50 OK 20 97 - 20 - 149/4.9=6, 4942/1.8=5...(6) H LEU 51 + HG3 GLU 19 OK 11 73 - 14 - 192=3, 192/1.8=3...(5) H LEU 51 + HG2 GLU 19 OK 11 73 - 14 - 192=3, 192/1.8=3...(5) HD21 ASN 80 - HG3 GLU 50 lone 8 93 - 8 - 4942/1.8=2, 923/4.9=2 H ARG 54 - HG2 GLU 87 lone 3 99 - 3 - H ARG 54 - HG3 GLU 87 lone 3 98 - 3 - H LEU 43 - HG2 GLU 87 lone 3 94 - 3 - H LEU 43 - HG3 GLU 87 lone 3 93 - 3 - H LEU 43 - HG2 GLU 19 lone 2 67 - 3 - H LEU 43 - HG3 GLU 19 lone 2 67 - 3 - HD21 ASN 80 - HG2 GLU 87 lone 2 90 - 2 - HD21 ASN 80 - HG3 GLU 87 lone 2 89 - 2 - H ARG 54 - HG3 GLU 19 lone 2 73 - 2 - H ARG 54 - HG2 GLU 19 lone 2 73 - 2 - HD21 ASN 80 - HG3 GLU 19 lone 1 63 - 2 - HD21 ASN 80 - HG2 GLU 19 lone 1 63 - 2 - Peak 3856 from cnoeabs.peaks (7.43, 3.89, 57.93 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + HA LEU 51 OK 100 100 - 100 - 3.6=100 H LEU 64 - HA LEU 51 OK 43 97 - 44 - 924/3.0=10, 3858/3.0=9...(9) HE21 GLN 61 - HA LEU 51 OK 31 60 - 52 - 1.7/5763=12, 5762=7...(12) Peak 3857 from cnoeabs.peaks (7.43, 1.32, 41.26 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.96: * H LEU 52 + HB2 LEU 51 OK 90 100 - 90 - 4.6=60, 198/3.1=23...(15) H LEU 52 + HB2 LEU 52 OK 60 61 - 99 - 3.9=99 H LEU 64 - HB2 LEU 51 OK 39 97 - 40 - 3858/1.8=9, 924/3.9=6...(11) HE21 GLN 61 - HB2 LEU 51 OK 32 60 - 53 - 3858/1.8=7, 5684/3.0=6...(17) H LEU 64 - HB2 LEU 52 OK 29 56 - 52 - 2265/1.8=13, 2272/3.0=10...(8) HE21 GLN 61 - HB2 LEU 52 poor 6 30 - 21 - 2265/1.8=2, 2251/3.0=2...(10) Peak 3858 from cnoeabs.peaks (7.43, 1.60, 41.26 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.93: * H LEU 52 + HB3 LEU 51 OK 86 100 - 86 - 4.6=59, 198/3.1=23...(15) H LEU 64 + HB3 LEU 51 OK 34 97 - 35 - 924/3.9=6, 3856/3.0=6...(8) HE21 GLN 61 + HB3 LEU 51 OK 28 60 - 46 - 5684/3.0=6, ~5223=5...(14) Peak 3860 from cnoeabs.peaks (7.43, 0.19, 24.73 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD2 LEU 51 OK 100 100 - 100 - 4.6=100 H LEU 64 + QD2 LEU 51 OK 50 97 - 51 - 3858/3.1=9, 3861/2.1=9...(12) HE21 GLN 61 - QD2 LEU 51 OK 34 60 - 57 - 1.7/4529=10, ~5223=10...(13) Peak 3861 from cnoeabs.peaks (7.43, 0.62, 23.89 ppm; 5.04 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD1 LEU 51 OK 100 100 - 100 - 4.6=100 H LEU 64 + QD1 LEU 51 OK 47 97 - 48 - 3860/2.1=11, 3858/3.1=10...(9) HE21 GLN 61 - QD1 LEU 51 OK 37 60 - 62 - ~5223=11, 5684/2.1=10...(15) Peak 3862 from cnoeabs.peaks (7.22, 3.81, 57.23 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + HA LEU 52 OK 100 100 - 100 - 3.6=100 H ILE 40 - HA LEU 52 OK 32 76 - 42 - 925/3.0=9, 3864/3.0=8...(10) Peak 3863 from cnoeabs.peaks (7.22, 1.33, 40.92 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.97: * H ALA 53 + HB2 LEU 52 OK 97 100 - 97 - 4.6=80, 3864/1.8=29...(14) H ALA 53 - HB2 LEU 51 OK 42 61 - 69 - 925/4.6=20, 5674/3.0=16...(14) H ILE 40 - HB2 LEU 52 OK 31 76 - 41 - 3864/1.8=9, 3866/3.1=8...(6) H ILE 40 - HB2 LEU 51 OK 12 39 - 29 - 5674/3.0=8, 4943/3.9=7...(6) Peak 3864 from cnoeabs.peaks (7.22, 1.47, 40.92 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.96: * H ALA 53 + HB3 LEU 52 OK 96 100 - 96 - 4.6=80, 205/3.1=27...(15) H ILE 40 - HB3 LEU 52 OK 31 76 - 41 - 3866/3.1=8, 3867/3.1=8...(7) Peak 3865 from cnoeabs.peaks (7.22, 1.20, 26.33 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.97: * H ALA 53 + HG LEU 52 OK 95 100 - 95 - 205/2.1=44, 206/2.1=44...(16) H ILE 40 + HG LEU 52 OK 41 76 - 54 - 3866/2.1=13, 3867/2.1=13...(9) Peak 3866 from cnoeabs.peaks (7.22, 0.44, 24.59 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.95: * H ALA 53 + QD1 LEU 52 OK 92 100 - 92 - 205=46, 206/2.1=35...(16) H ILE 40 + QD1 LEU 52 OK 37 76 - 49 - 3867/2.1=10, 3865/2.1=9...(13) Peak 3867 from cnoeabs.peaks (7.22, 0.51, 22.90 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.96: * H ALA 53 + QD2 LEU 52 OK 96 100 - 96 - 206=48, 3.6/2257=40...(17) H ILE 40 - QD2 LEU 52 OK 40 76 - 53 - 3866/2.1=11, 3865/2.1=9...(13) Peak 3868 from cnoeabs.peaks (7.53, 4.16, 52.94 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 54 + HA ALA 53 OK 100 100 - 100 - 3.6=100 H LEU 51 + HA ALA 53 OK 47 100 - 47 - 926/3.0=15, 3869/2.1=11...(7) H LEU 43 - HA ALA 53 OK 11 97 - 12 - 926/3.0=3, 3869/2.1=2...(4) HD21 ASN 80 - HA ALA 53 lone 8 92 - 8 - 6019/2.1=3, 926/3.0=2 Peak 3869 from cnoeabs.peaks (7.53, 1.39, 18.28 ppm; 3.60 A): 1 out of 8 assignments used, quality = 1.00: * H ARG 54 + QB ALA 53 OK 100 100 - 100 - 3.6=100 H LEU 51 - QB ALA 53 OK 45 100 - 45 - 926/2.9=13, 3.6/4962=10...(10) H LEU 43 - QB ALA 53 lone 8 97 - 9 - 926/2.9=3, 3868/2.1=2 HD21 ASN 80 - QB ALA 53 lone 8 92 - 8 - 6019=2, 926/2.9=1, 3868/2.1=1 HD21 ASN 80 - QB ALA 78 poor 5 49 - 10 - 6019/4.6=3, 6019=2...(6) H ARG 54 - QB ALA 78 lone 2 59 - 3 - H LEU 51 - QB ALA 78 lone 1 59 - 2 - H LEU 43 - QB ALA 78 lone 1 55 - 1 - Peak 3870 from cnoeabs.peaks (7.69, 4.01, 57.13 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 55 + HA ARG 54 OK 100 100 - 100 - 3.6=100 H GLN 61 - HA ARG 54 OK 36 99 - 36 - 927/3.0=8, 3872/3.0=6...(9) H MET 31 - HA ARG 54 OK 17 89 - 19 - 927/3.0=4, 3872/3.0=3...(7) H ASN 42 - HA ARG 54 OK 11 63 - 17 - 927/3.0=4, 4.6/2299=2...(7) Peak 3871 from cnoeabs.peaks (7.69, 1.76, 30.94 ppm; 4.45 A): 1 out of 12 assignments used, quality = 0.96: * H TYR 55 + HB2 ARG 54 OK 96 100 - 96 - 4.6=88, 3872/1.8=23...(11) H GLN 61 - HB2 ARG 54 OK 42 99 - 42 - 3872/1.8=9, 3870/3.0=7...(10) H MET 31 - HB2 ARG 54 OK 20 89 - 23 - 3872/1.8=4, 5705/3.0=4...(7) H TYR 55 - HB2 PRO 34 OK 17 51 - 33 - 4.4/4561=7, 212/2.3=5...(11) H ASN 42 - HB2 ARG 54 OK 11 63 - 17 - 927/4.1=3, 3872/1.8=3...(7) H GLN 61 - HB2 PRO 34 poor 7 49 - 14 - 5769=2, 5769/2.3=2...(4) H MET 31 - HB2 PRO 34 lone 3 40 - 7 - 6119/2.3=1 H GLN 61 - HB3 ARG 17 lone 2 47 - 4 - 243/3.0=1 H TYR 55 - HB3 ARG 17 lone 2 49 - 4 - H ASN 42 - HB2 PRO 34 lone 1 26 - 4 - H MET 31 - HB3 ARG 17 lone 1 38 - 2 - H ASN 42 - HB3 ARG 17 lone 0 25 - 2 - Peak 3872 from cnoeabs.peaks (7.69, 1.55, 30.94 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.96: * H TYR 55 + HB3 ARG 54 OK 96 100 - 96 - 4.6=89, 4.4/4563=21...(10) H GLN 61 - HB3 ARG 54 OK 37 99 - 38 - 3871/1.8=8, 3870/3.0=7...(9) H MET 31 - HB3 ARG 54 OK 17 89 - 19 - 3871/1.8=4, 5705/3.0=4...(5) H ASN 42 - HB3 ARG 54 OK 11 63 - 17 - 927/4.1=3, 4.6/2315=2...(7) Peak 3879 from cnoeabs.peaks (8.15, 4.67, 61.99 ppm; 2.96 A): 1 out of 7 assignments used, quality = 0.72: * H LEU 57 + HA PRO 56 OK 72 100 - 72 - 3.5=58, 220/2.3=10...(8) H ASN 74 - HA PRO 56 lone 3 100 - 3 - H ARG 26 - HA PRO 56 lone 2 83 - 3 - H ALA 78 - HA PRO 56 lone 1 100 - 1 - H THR 88 - HA PRO 56 lone 1 83 - 2 - H ARG 27 - HA PRO 56 lone 1 65 - 2 - H ILE 89 - HA PRO 56 lone 1 78 - 1 - Peak 3880 from cnoeabs.peaks (8.15, 2.09, 29.60 ppm; 4.54 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 57 + HB2 PRO 56 OK 100 100 - 100 - 4.0=100 H ASN 74 - HB2 PRO 56 lone 7 100 - 7 - 3879/2.3=2, 5735/3.0=1 H ARG 26 - HB2 PRO 56 lone 5 83 - 6 - 3879/2.3=1 H THR 88 - HB2 PRO 56 lone 4 83 - 5 - H ALA 78 - HB2 PRO 56 lone 3 100 - 3 - H ARG 27 - HB2 PRO 56 lone 3 65 - 4 - H ILE 89 - HB2 PRO 56 lone 2 78 - 2 - Peak 3881 from cnoeabs.peaks (8.15, 2.03, 29.60 ppm; 4.32 A): 1 out of 21 assignments used, quality = 1.00: * H LEU 57 + HB3 PRO 56 OK 100 100 - 100 - 4.0=100 H ARG 26 - HB2 GLU 25 OK 38 40 - 93 - 4.7=80, 904/4.0=16...(18) H ARG 26 - HB3 GLU 25 OK 36 39 - 93 - 4.7=80, 904/4.0=16...(18) H ARG 27 - HB2 GLU 25 OK 11 30 - 35 - 5380/4.7=11, 5522/1.8=5...(12) H ARG 27 - HB3 GLU 25 OK 10 29 - 35 - 5380/4.7=11, 5522/1.8=5...(12) H ASN 74 - HB3 PRO 56 lone 6 100 - 6 - 3879/2.3=2, 5735/3.0=1 H ARG 26 - HB3 PRO 56 lone 5 83 - 6 - 3879/2.3=1 H THR 88 - HB2 GLU 25 poor 4 40 - 11 - 3746/3.0=2, ~5517=2...(4) H THR 88 - HB3 PRO 56 lone 4 83 - 5 - H THR 88 - HB3 GLU 25 poor 4 39 - 11 - 3746/3.0=2, ~5517=2...(4) H ALA 78 - HB2 GLU 25 lone 4 56 - 7 - 4.6/350=1, 904/4.0=1 H ALA 78 - HB3 GLU 25 lone 4 54 - 7 - 4.6/350=1, 904/4.0=1 H ALA 78 - HB3 PRO 56 lone 4 100 - 4 - H LEU 57 - HB2 GLU 25 lone 3 57 - 6 - H LEU 57 - HB3 GLU 25 lone 3 55 - 6 - H ASN 74 - HB2 GLU 25 lone 3 57 - 6 - H ASN 74 - HB3 GLU 25 lone 3 55 - 6 - H ARG 27 - HB3 PRO 56 lone 3 65 - 5 - H ILE 89 - HB3 PRO 56 lone 2 78 - 3 - H ILE 89 - HB2 GLU 25 lone 1 38 - 2 - H ILE 89 - HB3 GLU 25 lone 1 36 - 2 - Peak 3885 from cnoeabs.peaks (9.06, 1.77, 44.00 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + HB2 LEU 57 OK 100 100 - 100 - 4.2=100 Peak 3886 from cnoeabs.peaks (9.06, 1.47, 44.00 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + HB3 LEU 57 OK 100 100 - 100 - 4.2=100 Peak 3888 from cnoeabs.peaks (9.06, 0.71, 23.03 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.93: * H THR 58 + QD2 LEU 57 OK 93 100 - 93 - 4.8=74, 3.6/2457=23...(16) Peak 3890 from cnoeabs.peaks (9.11, 4.43, 60.59 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 59 + HA THR 58 OK 91 100 - 91 - 3.6=82, 234/3.0=21...(8) Peak 3892 from cnoeabs.peaks (9.11, 1.31, 21.61 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.97: * H GLU 59 + QG2 THR 58 OK 97 100 - 97 - 4.0=89, 234/2.1=32...(11) Peak 3894 from cnoeabs.peaks (8.51, 2.09, 28.98 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: * H SER 60 + HB2 GLU 59 OK 100 100 - 100 - 4.6=100 H SER 60 + HB3 GLU 59 OK 100 100 - 100 - 4.6=100 H ARG 23 - HB2 GLU 59 lone 4 95 - 4 - 930/4.0=2 H ARG 23 - HB3 GLU 59 lone 4 95 - 4 - 930/4.0=2 Peak 3895 from cnoeabs.peaks (8.51, 2.09, 28.98 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: H SER 60 + HB2 GLU 59 OK 100 100 - 100 - 4.6=100 * H SER 60 + HB3 GLU 59 OK 100 100 - 100 - 4.6=100 H ARG 23 - HB2 GLU 59 lone 4 95 - 4 - 930/4.0=2 H ARG 23 - HB3 GLU 59 lone 4 95 - 4 - 930/4.0=2 Peak 3898 from cnoeabs.peaks (7.68, 4.28, 61.17 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 61 + HA SER 60 OK 100 100 - 100 - 3.6=100 H MET 31 - HA SER 60 OK 19 71 - 27 - 6.0/5081=7, 4.0/4997=6...(8) H TYR 55 - HA SER 60 OK 13 99 - 13 - 931/3.0=4, 5780/4647=2...(5) Peak 3899 from cnoeabs.peaks (7.68, 3.84, 62.16 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: H GLN 61 + HB3 SER 60 OK 100 100 - 100 - 4.4=100 * H GLN 61 + HB2 SER 60 OK 100 100 - 100 - 4.4=100 H MET 31 - HB2 SER 60 OK 11 71 - 16 - 6.0/5078=8, 3898/3.0=4...(4) H MET 31 - HB3 SER 60 OK 11 71 - 16 - 6.0/5078=8, 3898/3.0=4...(4) H TYR 55 - HB2 SER 60 lone 10 99 - 10 - 931/3.8=3, 3898/3.0=2...(4) H TYR 55 - HB3 SER 60 lone 10 99 - 10 - 931/3.8=3, 3898/3.0=2...(4) Peak 3900 from cnoeabs.peaks (7.68, 3.84, 62.16 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 61 + HB3 SER 60 OK 100 100 - 100 - 4.4=100 H GLN 61 + HB2 SER 60 OK 100 100 - 100 - 4.4=100 H MET 31 - HB2 SER 60 OK 11 71 - 16 - 6.0/5078=8, 3898/3.0=4...(4) H MET 31 - HB3 SER 60 OK 11 71 - 16 - 6.0/5078=8, 3898/3.0=4...(4) H TYR 55 - HB2 SER 60 lone 10 99 - 10 - 931/3.8=3, 3898/3.0=2...(4) H TYR 55 - HB3 SER 60 lone 10 99 - 10 - 931/3.8=3, 3898/3.0=2...(4) Peak 3901 from cnoeabs.peaks (8.82, 3.96, 59.26 ppm; 4.64 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 62 + HA GLN 61 OK 100 100 - 100 - 3.6=100 H THR 37 + HA GLN 61 OK 48 98 - 49 - 932/3.0=10, 2564/4.7=10...(11) H LEU 62 - HA GLU 50 OK 22 97 - 23 - 247=4, 4.6/2526=3...(7) H THR 37 - HA GLU 50 lone 6 93 - 7 - Peak 3902 from cnoeabs.peaks (8.82, 2.53, 30.35 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 62 + HB2 GLN 61 OK 99 100 - 99 - 4.6=98, 932/4.0=26...(10) H THR 37 - HB2 GLN 61 OK 43 98 - 44 - 3903/1.8=11, 3901/3.0=9...(12) Peak 3903 from cnoeabs.peaks (8.82, 1.66, 30.35 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 62 + HB3 GLN 61 OK 100 100 - 100 - 4.6=100 H THR 37 - HB3 GLN 61 OK 42 98 - 43 - 3902/1.8=12, 3904/3.0=9...(10) Peak 3904 from cnoeabs.peaks (8.82, 2.60, 34.98 ppm; 6.04 A): 2 out of 2 assignments used, quality = 0.92: * H LEU 62 + HG2 GLN 61 OK 81 100 - 81 - 3902/3.0=32, 932/5.0=31...(10) H THR 37 + HG2 GLN 61 OK 59 98 - 60 - 3902/3.0=14, 3903/3.0=14...(15) Peak 3906 from cnoeabs.peaks (7.98, 3.92, 57.93 ppm; 4.61 A): 2 out of 8 assignments used, quality = 1.00: * H ALA 63 + HA LEU 62 OK 100 100 - 100 - 3.6=100 H ALA 30 + HA LEU 62 OK 45 100 - 46 - 3907/3.0=8, 933/3.0=8...(11) H LEU 29 - HA LEU 62 OK 29 68 - 42 - 4.8/2570=7, 908/3.6=6...(12) H ARG 69 - HA LEU 62 OK 26 100 - 26 - 3907/3.0=3, 933/3.0=3...(12) H GLY 72 - HA LEU 62 OK 20 95 - 21 - 933/3.0=3, 3907/3.0=3...(7) H LYS 73 - HA LEU 62 OK 14 85 - 17 - 3910/4.0=2, 3907/3.0=2...(5) H VAL 76 - HA LEU 62 OK 13 87 - 15 - 933/3.0=2, 3907/3.0=2...(7) H ARG 70 - HA LEU 62 OK 11 71 - 15 - 295/3.6=3, 5830/4.0=2...(5) Peak 3907 from cnoeabs.peaks (7.98, 1.75, 41.88 ppm; 3.42 A): 5 out of 8 assignments used, quality = 0.88: * H ALA 63 + HB2 LEU 62 OK 71 100 - 71 - 4.6=41, 254/4.0=14...(17) H ALA 30 + HB2 LEU 62 OK 32 100 - 32 - 82/1.8=5, 84/3.1=4...(10) H LEU 29 + HB2 LEU 62 OK 21 68 - 30 - 4.8/2577=4, 547/1.8=3...(13) H ARG 69 + HB2 LEU 62 OK 14 100 - 14 - 3910/3.1=2, 3906/3.0=2...(6) H GLY 72 + HB2 LEU 62 OK 12 95 - 13 - 5055/3.1=2, 933/4.0=1...(5) H LYS 73 - HB2 LEU 62 poor 10 85 - 12 - 3910/3.1=2, 933/4.0=1 H VAL 76 - HB2 LEU 62 lone 7 87 - 8 - 933/4.0=1 H ARG 70 - HB2 LEU 62 lone 6 71 - 9 - 4.6/779=1, 295/4.6=1, 5830/3.1=1 Peak 3908 from cnoeabs.peaks (7.98, 1.59, 41.88 ppm; 3.29 A): 4 out of 32 assignments used, quality = 0.97: H ALA 30 + HB3 LEU 29 OK 70 98 - 71 - 4.6=37, 81/1.8=14...(15) * H ALA 63 + HB3 LEU 62 OK 67 100 - 67 - 4.6=36, 3907/1.8=14...(13) H ALA 63 + HB3 LEU 29 OK 49 99 - 50 - 3764/1.8=8, 257=8...(18) H LEU 29 + HB3 LEU 29 OK 48 65 - 75 - 4.0=56, 546/1.8=13...(12) H ALA 30 - HB3 LEU 62 OK 36 100 - 36 - 3907/1.8=6, 82=6...(12) H LEU 29 - HB3 LEU 62 OK 22 68 - 33 - 547=4, 3907/1.8=4...(15) H LYS 73 - HB3 LEU 29 OK 16 81 - 20 - 3764/1.8=4, 3766/3.0=2...(7) H ARG 69 - HB3 LEU 62 OK 14 100 - 14 - 3907/1.8=3, 3910/3.1=2...(5) H GLY 72 - HB3 LEU 62 OK 12 95 - 12 - 3907/1.8=2, 5055/3.1=2...(5) H ALA 30 - HB3 LEU 86 OK 11 59 - 19 - 82=3, 84/3.1=3, 85/3.1=3...(7) H GLY 72 - HB3 LEU 29 OK 11 91 - 11 - 3764/1.8=3, 908/4.0=2...(4) H ALA 63 - HB3 LEU 86 OK 10 60 - 17 - 258=2, 260/3.1=2...(8) H LYS 73 - HB3 LEU 62 poor 10 85 - 11 - 3907/1.8=2, 3910/3.1=1 H ARG 69 - HB3 LEU 29 lone 9 98 - 10 - 3764/1.8=2, 908/4.0=2 H ALA 63 - HB2 LEU 86 poor 9 58 - 16 - 258/1.8=2, 260/3.1=2...(6) H LEU 29 - HB3 LEU 86 poor 9 34 - 27 - 547=4, 4.0/1486=3...(13) H ALA 30 - HB2 LEU 86 poor 8 57 - 14 - 84/3.1=3, 85/3.1=3...(4) H VAL 76 - HB3 LEU 29 lone 7 83 - 9 - 908/4.0=2, 5431/3.0=2 H LEU 29 - HB2 LEU 86 poor 7 32 - 21 - 549/3.1=3, 547/1.8=3...(11) H VAL 76 - HB3 LEU 62 lone 6 87 - 7 - 3907/1.8=1 H ARG 70 - HB3 LEU 29 lone 6 68 - 9 - 770/1.8=2, 79/4.6=1, ~2844=1 H ARG 70 - HB3 LEU 62 lone 6 71 - 9 - 3907/1.8=1, 295/4.6=1 H ARG 69 - HB2 LEU 86 lone 4 57 - 6 - 288/4.6=3 H ARG 69 - HB3 LEU 86 lone 3 59 - 6 - 288/4.6=3 H ARG 70 - HB2 LEU 86 lone 2 34 - 7 - 5826/4.6=1 H LYS 73 - HB3 LEU 86 lone 2 45 - 5 - H ARG 70 - HB3 LEU 86 lone 2 36 - 6 - 5826/4.6=1 H LYS 73 - HB2 LEU 86 lone 2 43 - 5 - H GLY 72 - HB3 LEU 86 lone 2 53 - 3 - H GLY 72 - HB2 LEU 86 lone 2 50 - 3 - H VAL 76 - HB3 LEU 86 lone 1 46 - 2 - H VAL 76 - HB2 LEU 86 lone 1 44 - 1 - Peak 3909 from cnoeabs.peaks (7.98, 1.57, 26.98 ppm; 4.74 A): 4 out of 48 assignments used, quality = 0.96: * H ALA 63 + HG LEU 62 OK 77 100 - 77 - 254/5.0=21, 3907/3.0=18...(17) H ALA 30 + HG LEU 62 OK 52 100 - 52 - 84/2.1=9, 3907/3.0=8...(13) H ALA 63 + HG LEU 64 OK 37 66 - 57 - 934/4.8=20, 4690/4.3=10...(13) H LEU 29 + HG LEU 62 OK 36 68 - 53 - 549/2.1=6, 3907/3.0=5...(19) H ARG 69 - HG LEU 62 OK 26 100 - 26 - 3910/2.1=5, 3907/3.0=4...(10) H ALA 30 - HG LEU 64 OK 23 64 - 36 - 85/2.1=8, 81/3.0=5...(10) H ALA 63 - HG3 ARG 54 OK 21 90 - 24 - 5780/4.8=4, 4.6/2585=4...(8) H GLY 72 - HG LEU 62 OK 21 95 - 22 - 3910/2.1=4, 3907/3.0=3...(9) H LYS 73 - HG LEU 62 OK 18 85 - 21 - 3910/2.1=4, 3907/3.0=3...(8) H LEU 29 - HG LEU 64 OK 15 37 - 41 - 3.6/5321=11, 550/2.1=7...(11) H ARG 69 - HG LEU 64 OK 12 64 - 19 - 4.7/5818=6, 5012/2.1=3...(6) H VAL 76 - HG LEU 62 OK 12 87 - 14 - 3910/2.1=2, 3907/3.0=2...(4) H VAL 76 - HG LEU 64 OK 11 51 - 22 - 5012/2.1=3, ~6044=3...(9) H GLY 72 - HG LEU 64 OK 11 57 - 19 - 5842/3.0=3, 5055/2.1=2...(5) H ALA 30 - HG3 ARG 54 OK 11 89 - 12 - 909/4.8=2, 5535/1.8=2...(4) H ARG 70 - HG LEU 62 OK 11 71 - 15 - 5830/2.1=2, 3907/3.0=2 H ARG 70 - HG LEU 64 poor 10 39 - 25 - 5012/2.1=5, 770/3.0=3...(9) H LYS 73 - HG3 ARG 54 poor 8 71 - 11 - 5987/3.7=6, 788/3.0=1 H ALA 30 - HG3 ARG 84 poor 7 39 - 19 - 5538/5.0=3, 81/3.0=3...(8) H ALA 30 - HG2 ARG 84 poor 7 39 - 19 - 5538/5.0=3, 81/3.0=3...(8) H ALA 30 - HG3 ARG 23 poor 6 43 - 14 - 83/1.8=2, ~1285=2...(4) H ARG 70 - HG3 ARG 54 poor 6 58 - 10 - ~2324=2, ~2316=1...(5) H LYS 73 - HG3 ARG 84 poor 6 29 - 21 - 786/3.9=3, 787/3.0=2...(5) H LYS 73 - HG2 ARG 84 poor 6 29 - 21 - 786/3.9=3, 787/3.0=2...(5) H LEU 29 - HG3 ARG 84 poor 6 22 - 27 - 76/5.0=3, 546/3.0=3...(12) H LEU 29 - HG2 ARG 84 poor 6 22 - 27 - 76/5.0=3, 546/3.0=3...(12) H LEU 29 - HG3 ARG 54 lone 5 56 - 9 - 5525/4.8=1, 3.6/5321=1 H ALA 63 - HG3 ARG 23 lone 4 44 - 10 - 4.7/731=2 H LYS 73 - HG LEU 64 lone 4 49 - 8 - 261/4.8=1, 5263/2.1=1 H ARG 70 - HG3 ARG 84 poor 3 23 - 15 - 297/3.0=2, 770/3.0=2...(7) H ARG 70 - HG2 ARG 84 poor 3 23 - 15 - 297/3.0=2, 770/3.0=2...(7) H ALA 63 - HG3 ARG 84 lone 3 40 - 8 - H ALA 63 - HG2 ARG 84 lone 3 40 - 8 - H GLY 72 - HG3 ARG 23 lone 3 38 - 8 - H GLY 72 - HG3 ARG 54 lone 3 81 - 4 - H ARG 69 - HG3 ARG 54 lone 3 89 - 3 - H VAL 76 - HG3 ARG 84 lone 2 30 - 7 - 5431/3.9=2, 5411/5.0=1 H VAL 76 - HG2 ARG 84 lone 2 30 - 7 - 5431/3.9=2, 5411/5.0=1 H VAL 76 - HG3 ARG 54 lone 2 73 - 3 - H ARG 69 - HG3 ARG 23 lone 2 43 - 5 - 4.7/5818=1 H VAL 76 - HG3 ARG 23 lone 2 33 - 6 - H GLY 72 - HG2 ARG 84 lone 2 34 - 6 - H GLY 72 - HG3 ARG 84 lone 2 34 - 6 - H ARG 69 - HG3 ARG 84 lone 2 39 - 5 - 760/3.0=1 H ARG 69 - HG2 ARG 84 lone 2 39 - 5 - 760/3.0=1 H LEU 29 - HG3 ARG 23 lone 2 24 - 7 - 3.6/5321=2 H LYS 73 - HG3 ARG 23 lone 1 32 - 4 - H ARG 70 - HG3 ARG 23 lone 1 25 - 3 - Peak 3910 from cnoeabs.peaks (7.98, 0.93, 24.73 ppm; 4.86 A): 3 out of 8 assignments used, quality = 0.95: * H ALA 63 + QD2 LEU 62 OK 83 100 - 83 - 254/4.8=23, 3.6/2593=21...(17) H ALA 30 + QD2 LEU 62 OK 51 100 - 52 - 84/2.1=10, 3907/3.1=8...(13) H ARG 69 + QD2 LEU 62 OK 40 100 - 40 - 3907/3.1=4, 292=4...(18) H LEU 29 - QD2 LEU 62 OK 35 68 - 51 - 4.8/2598=7, 549/2.1=6...(15) H GLY 72 - QD2 LEU 62 OK 31 95 - 33 - 5055=4, 3907/3.1=3...(12) H LYS 73 - QD2 LEU 62 OK 30 85 - 35 - 5263=4, 4.5/5962=3...(14) H ARG 70 - QD2 LEU 62 OK 20 71 - 28 - 5830=3, 4.6/5834=3...(12) H VAL 76 - QD2 LEU 62 OK 15 87 - 17 - 3907/3.1=2, 933/4.8=2...(6) Peak 3911 from cnoeabs.peaks (7.98, 0.87, 24.45 ppm; 3.97 A): 5 out of 24 assignments used, quality = 0.99: H ALA 30 + QD1 LEU 29 OK 69 98 - 71 - 81/3.1=14, 3766/2.1=12...(17) * H ALA 63 + QD1 LEU 62 OK 68 100 - 68 - 254/4.8=15, 3907/3.1=14...(15) H ALA 63 + QD1 LEU 29 OK 64 99 - 65 - 260=10, 3766/2.1=10...(20) H LEU 29 + QD1 LEU 29 OK 54 66 - 81 - 4.8=57, 548/2.1=14...(10) H ALA 30 + QD1 LEU 62 OK 46 100 - 46 - 84=7, 3907/3.1=6...(14) H ALA 30 - QD1 LEU 86 OK 31 89 - 35 - 84=6, 4.6/1488=5...(11) H LEU 29 - QD1 LEU 62 OK 30 68 - 45 - 549=7, 4.0/1488=5...(16) H ALA 63 - QD1 LEU 86 OK 28 90 - 32 - 260=5, 3.6/2570=5...(12) H LEU 29 - QD1 LEU 86 OK 24 55 - 44 - 549=7, 4.0/1488=6...(14) H LYS 73 - QD1 LEU 29 OK 24 83 - 29 - 3766/2.1=4, 3764/3.1=4...(12) H ARG 69 - QD1 LEU 62 OK 20 100 - 20 - 3910/2.1=3, 3907/3.1=3...(8) H GLY 72 - QD1 LEU 62 OK 18 95 - 19 - 5055/2.1=3, 3907/3.1=2...(9) H GLY 72 - QD1 LEU 29 OK 17 93 - 18 - 3764/3.1=3, 3766/2.1=3...(7) H ARG 69 - QD1 LEU 29 OK 14 98 - 15 - 3766/2.1=2, 908/4.8=2...(5) H LYS 73 - QD1 LEU 62 OK 14 85 - 17 - 5263/2.1=2, 3907/3.1=2...(5) H ARG 70 - QD1 LEU 29 OK 12 69 - 17 - 770/3.1=2, 4.6/5367=2...(7) H ARG 70 - QD1 LEU 62 OK 11 71 - 16 - 3.6/5960=2, 5830/2.1=2...(5) H VAL 76 - QD1 LEU 29 OK 10 85 - 12 - 5431/4.0=2, 908/4.8=2...(4) H VAL 76 - QD1 LEU 62 poor 10 87 - 11 - 814/2.1=1, 3907/3.1=1...(4) H ARG 69 - QD1 LEU 86 poor 9 89 - 10 - 288/4.9=4, 291/2.1=1 H ARG 70 - QD1 LEU 86 poor 8 58 - 14 - 5826/4.9=2, 5831/2.1=2 H LYS 73 - QD1 LEU 86 poor 8 71 - 11 - H GLY 72 - QD1 LEU 86 lone 6 81 - 7 - H VAL 76 - QD1 LEU 86 lone 3 73 - 4 - Peak 3912 from cnoeabs.peaks (7.42, 4.06, 55.02 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HA ALA 63 OK 100 100 - 100 - 3.6=100 H LEU 52 - HA ALA 63 OK 35 97 - 36 - 3913/2.1=11, 934/3.0=10...(8) H LYS 39 - HA ALA 63 lone 6 65 - 10 - 934/3.0=3, 3913/2.1=2...(4) Peak 3913 from cnoeabs.peaks (7.42, 1.49, 17.50 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 64 + QB ALA 63 OK 99 100 - 99 - 3.6=98, 934/2.9=20...(10) H LEU 52 - QB ALA 63 OK 34 97 - 35 - 934/2.9=8, 667=7...(12) H LYS 39 - QB ALA 63 lone 6 65 - 10 - 2612/4.9=2, 934/2.9=2...(4) Peak 3914 from cnoeabs.peaks (8.38, 4.26, 57.87 ppm; 4.57 A): 3 out of 5 assignments used, quality = 1.00: * H VAL 65 + HA LEU 64 OK 100 100 - 100 - 3.6=100 H GLY 21 + HA LEU 64 OK 53 100 - 53 - 33=10, 935/3.0=8...(16) H ARG 17 + HA LEU 64 OK 46 99 - 46 - 484=7, 935/3.0=7...(16) H GLY 18 - HA LEU 64 OK 29 87 - 33 - 4822=4, 935/3.0=4...(12) H ALA 16 - HA LEU 64 OK 11 60 - 18 - 4.6/484=4, 4.6/477=2...(11) Peak 3915 from cnoeabs.peaks (8.38, 1.97, 41.01 ppm; 4.08 A): 2 out of 5 assignments used, quality = 0.96: * H VAL 65 + HB2 LEU 64 OK 93 100 - 93 - 4.4=79, 264/4.0=18...(14) H GLY 21 + HB2 LEU 64 OK 42 100 - 42 - 3916/1.8=8, 33/3.0=6...(13) H ARG 17 - HB2 LEU 64 OK 33 99 - 33 - 3916/1.8=6, 484/3.0=5...(10) H GLY 18 - HB2 LEU 64 OK 19 87 - 21 - 3916/1.8=4, 4822/3.0=3...(7) H ALA 16 - HB2 LEU 64 poor 6 60 - 10 - 4.6/5906=2, 3.6/2620=1...(4) Peak 3916 from cnoeabs.peaks (8.38, 1.70, 41.01 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.99: * H VAL 65 + HB3 LEU 64 OK 99 100 - 99 - 4.4=95, 264/4.0=21...(15) H GLY 21 + HB3 LEU 64 OK 46 100 - 46 - 3915/1.8=9, 33/3.0=7...(13) H ARG 17 - HB3 LEU 64 OK 37 99 - 37 - 3915/1.8=7, 484/3.0=6...(10) H GLY 18 - HB3 LEU 64 OK 22 87 - 26 - 3915/1.8=4, 4822/3.0=4...(9) H ALA 16 - HB3 LEU 64 poor 6 60 - 10 - 3.6/2627=2, 18/3.0=1...(5) Peak 3917 from cnoeabs.peaks (8.38, 1.54, 27.08 ppm; 4.90 A): 3 out of 20 assignments used, quality = 0.95: * H VAL 65 + HG LEU 64 OK 83 100 - 83 - 264/4.8=21, 3915/3.0=19...(13) H GLY 21 + HG LEU 64 OK 49 100 - 49 - 3919/2.1=10, 3915/3.0=9...(11) H ARG 17 + HG LEU 64 OK 43 99 - 44 - 3919/2.1=8, 3915/3.0=7...(12) H VAL 65 - HG LEU 62 OK 36 66 - 55 - 4674/4.3=17, 3.0/5032=8...(15) H VAL 65 - HG3 ARG 23 OK 27 88 - 31 - 268=6, 4.4/2630=6...(9) H GLY 18 - HG LEU 64 OK 24 87 - 28 - 3919/2.1=4, 3916/3.0=4...(7) H VAL 65 - HG2 ARG 82 OK 22 95 - 23 - 268=4, 3.6/2616=3...(8) H ARG 17 - HG3 ARG 23 OK 13 86 - 15 - 485/3.0=1, 485/3.0=1...(4) H GLY 18 - HG LEU 62 poor 10 51 - 19 - 4674/4.3=3, ~2593=3...(8) H ARG 17 - HG LEU 62 poor 9 64 - 14 - 4674/4.3=4, 486/3.0=3, ~1149=1 H ALA 16 - HG LEU 64 poor 8 60 - 13 - 3919/2.1=2, ~5162=2...(7) H GLY 21 - HG LEU 62 poor 8 65 - 12 - 4674/4.3=4 H GLY 18 - HG3 ARG 23 lone 6 71 - 8 - H ARG 17 - HG2 ARG 82 lone 5 93 - 6 - H GLY 21 - HG3 ARG 23 lone 5 87 - 6 - H GLY 21 - HG2 ARG 82 lone 4 95 - 4 - H GLY 18 - HG2 ARG 82 lone 3 78 - 4 - H ALA 16 - HG2 ARG 82 lone 2 53 - 3 - H ALA 16 - HG3 ARG 23 lone 1 47 - 3 - H ALA 16 - HG LEU 62 lone 1 32 - 3 - Peak 3918 from cnoeabs.peaks (8.38, 0.84, 25.67 ppm; 5.67 A): 3 out of 5 assignments used, quality = 0.98: * H VAL 65 + QD2 LEU 64 OK 88 100 - 88 - 264/4.4=28, 3915/3.1=22...(16) H GLY 21 + QD2 LEU 64 OK 61 100 - 61 - 3919/2.1=12, 3915/3.1=10...(14) H ARG 17 + QD2 LEU 64 OK 54 99 - 55 - 3919/2.1=10, 3916/3.1=8...(15) H GLY 18 - QD2 LEU 64 OK 33 87 - 38 - 3919/2.1=5, 3916/3.1=5...(12) H ALA 16 - QD2 LEU 64 OK 13 60 - 21 - 4.6/5015=4, 2.9/5162=3...(10) Peak 3919 from cnoeabs.peaks (8.38, 0.95, 23.35 ppm; 4.66 A): 3 out of 5 assignments used, quality = 0.95: * H VAL 65 + QD1 LEU 64 OK 83 100 - 83 - 264/4.4=21, 3915/3.1=18...(13) H GLY 21 + QD1 LEU 64 OK 51 100 - 51 - 3915/3.1=8, 3916/3.1=7...(14) H ARG 17 + QD1 LEU 64 OK 42 99 - 42 - 3915/3.1=6, 3916/3.1=6...(15) H GLY 18 - QD1 LEU 64 OK 23 87 - 26 - 3916/3.1=4, 3918/2.1=4...(8) H ALA 16 - QD1 LEU 64 poor 8 60 - 14 - 4.6/5013=3, 3.6/2648=2...(7) Peak 3920 from cnoeabs.peaks (8.59, 3.63, 67.03 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HA VAL 65 OK 100 100 - 100 - 3.6=100 Peak 3921 from cnoeabs.peaks (8.59, 2.39, 31.50 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.96: * H ARG 66 + HB VAL 65 OK 92 100 - 92 - 4.4=78, 936/3.8=29...(10) H ARG 66 + HG3 MET 11 OK 45 100 - 45 - 273=14, 3.6/2656=8...(12) Peak 3922 from cnoeabs.peaks (8.59, 1.23, 22.65 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + QG1 VAL 65 OK 100 100 - 100 - 4.1=100 Peak 3923 from cnoeabs.peaks (8.59, 1.21, 23.08 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + QG2 VAL 65 OK 100 100 - 100 - 4.1=100 Peak 3924 from cnoeabs.peaks (7.93, 3.98, 60.19 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 67 + HA ARG 66 OK 100 100 - 100 - 3.6=100 H ARG 70 + HA ARG 66 OK 52 78 - 67 - 937/3.0=9, 4.3/4733=8...(27) H LYS 32 - HA ARG 66 OK 35 97 - 36 - 937/3.0=4, 561=4...(15) H LEU 29 - HA ARG 66 OK 17 81 - 21 - 937/3.0=3, 4.6/4841=2...(7) H VAL 76 - HA ARG 66 OK 13 60 - 22 - 812=2, 937/3.0=2, ~740=1...(8) H ILE 33 - HA ARG 66 OK 13 71 - 18 - 4.6/561=3, 96=2...(7) Peak 3925 from cnoeabs.peaks (7.93, 1.88, 29.95 ppm; 4.43 A): 2 out of 54 assignments used, quality = 0.98: * H ASP 67 + HB2 ARG 66 OK 96 100 - 96 - 4.6=87, 276/4.0=32...(14) H ARG 70 + HB2 ARG 66 OK 49 78 - 62 - 3924/3.0=7, 937/4.0=7...(25) H ASP 67 - HB2 ARG 26 OK 30 100 - 30 - 5808/3.0=5, 278=4...(9) H ASP 67 - HB3 ARG 26 OK 30 99 - 30 - 5808/3.0=5, 278=4...(9) H LYS 32 - HB2 ARG 66 OK 29 97 - 30 - 91/1.8=5, 3924/3.0=5...(8) H LEU 29 - HB2 ARG 66 OK 16 81 - 20 - 4.6/4194=3, 5802/2.8=2...(7) H LEU 29 - HB2 ARG 26 OK 16 79 - 20 - 3.6/4837=5, 4.6/4194=4...(5) H ASP 67 - HB3 ARG 71 OK 16 57 - 28 - 5808/3.0=8, 303/4.0=4...(10) H LEU 29 - HB3 ARG 26 OK 16 79 - 20 - 3.6/4837=5, 4.6/4194=4...(5) H ASP 67 - HB2 ARG 71 OK 15 55 - 27 - 5808/3.0=8, 303/4.0=4...(10) H ARG 70 - HB3 ARG 71 OK 11 38 - 29 - 5390/4.0=14, 295/4.4=5...(5) H ARG 70 - HB2 ARG 71 OK 10 36 - 29 - 5390/4.0=14, 295/4.4=5...(5) H ARG 70 - HB2 ARG 26 poor 9 77 - 12 - 4.6/777=2, 5390/3.9=1 H ARG 70 - HB3 ARG 26 poor 9 76 - 12 - 4.6/777=2, 5390/3.9=1 H ILE 33 - HB2 ARG 66 poor 9 71 - 12 - 5181/1.8=2, 96/3.0=2...(5) H VAL 76 - HB2 ARG 66 poor 9 60 - 14 - 3924/3.0=2, ~6044=2...(6) H LEU 29 - HB3 ARG 27 poor 8 42 - 20 - 76/4.3=11, 4184/3.0=5 H LEU 29 - HB2 ARG 27 poor 8 40 - 20 - 76/4.3=11, 4184/3.0=5 H LYS 32 - HB2 ARG 26 lone 8 96 - 8 - H LYS 32 - HB3 ARG 26 lone 7 96 - 8 - H ASP 67 - HB3 ARG 27 poor 7 61 - 12 - 278=1, 278/1.8=1 H ASP 67 - HB2 ARG 27 poor 7 58 - 12 - 278=1, 278/1.8=1 H LEU 29 - HB3 ARG 71 poor 7 39 - 17 - 4184/3.0=6, 303/4.0=3...(4) H LEU 29 - HB2 ARG 71 poor 6 38 - 17 - 4184/3.0=6, 303/4.0=3...(4) H LYS 32 - HB3 ARG 71 poor 6 52 - 11 - 303/4.0=2, 5542/2.8=1 H LYS 32 - HB2 ARG 71 poor 6 51 - 11 - 303/4.0=2, 5542/2.8=1 H ASP 67 - HB3 ARG 23 lone 5 63 - 8 - H ILE 33 - HB2 ARG 26 lone 5 69 - 7 - 4.8/1688=2, 4.8/1695=2 H ILE 33 - HB3 ARG 26 lone 5 69 - 7 - 4.8/1688=2, 4.8/1695=2 H ASP 67 - HB2 ARG 23 lone 5 60 - 8 - H LYS 32 - HB3 ARG 27 lone 5 56 - 8 - 907/4.3=4 H LYS 32 - HB2 ARG 27 lone 4 54 - 8 - 907/4.3=4 H VAL 76 - HB3 ARG 71 poor 3 27 - 11 - 303/4.0=3, 340/1.8=2 H VAL 76 - HB2 ARG 71 poor 3 26 - 11 - 303/4.0=3, 340/1.8=2 H ARG 70 - HB3 ARG 27 lone 3 40 - 7 - 4.6/777=1, 907/4.3=1 H ARG 70 - HB2 ARG 27 lone 3 39 - 7 - 4.6/777=1, 907/4.3=1 H VAL 76 - HB3 ARG 27 lone 2 29 - 8 - 907/4.3=3, 340/1.8=1 H VAL 76 - HB2 ARG 27 lone 2 28 - 8 - 907/4.3=3, 340/1.8=1 H ILE 33 - HB3 ARG 71 lone 2 33 - 7 - 4.8/1688=2, 4.8/1695=2 H LEU 29 - HB3 ARG 23 lone 2 44 - 5 - H ILE 33 - HB2 ARG 71 lone 2 32 - 7 - 4.8/1688=2, 4.8/1695=2 H LEU 29 - HB2 ARG 23 lone 2 42 - 5 - H LYS 32 - HB3 ARG 23 lone 2 58 - 3 - H VAL 76 - HB2 ARG 26 lone 2 59 - 3 - H VAL 76 - HB3 ARG 26 lone 2 58 - 3 - H LYS 32 - HB2 ARG 23 lone 2 55 - 3 - H VAL 76 - HB3 ARG 23 lone 1 31 - 5 - H ILE 33 - HB3 ARG 27 lone 1 36 - 4 - H VAL 76 - HB2 ARG 23 lone 1 29 - 4 - H ILE 33 - HB2 ARG 27 lone 1 34 - 4 - H ARG 70 - HB3 ARG 23 lone 1 42 - 3 - H ARG 70 - HB2 ARG 23 lone 1 40 - 3 - H ILE 33 - HB3 ARG 23 lone 1 37 - 2 - H ILE 33 - HB2 ARG 23 lone 1 35 - 2 - Peak 3926 from cnoeabs.peaks (7.93, 1.94, 29.95 ppm; 3.51 A): 4 out of 18 assignments used, quality = 0.96: * H ASP 67 + HB3 ARG 66 OK 73 100 - 73 - 4.6=43, 276/4.0=20...(14) H ARG 70 + HB3 ARG 70 OK 51 64 - 81 - 4.1=64, 768/1.8=11...(14) H ARG 70 + HB2 ARG 70 OK 51 64 - 81 - 4.1=64, 768/1.8=11...(14) H ASP 67 + HB3 ARG 70 OK 44 89 - 49 - 279=7, 279/1.8=6...(19) H ASP 67 - HB2 ARG 70 OK 44 89 - 49 - 279=7, 279/1.8=6...(19) H ARG 70 - HB3 ARG 66 OK 35 78 - 45 - 768=6, 2.9/2843=5...(19) H LYS 32 - HB3 ARG 66 OK 25 97 - 26 - 3924/3.0=3, 91=3...(12) H LYS 32 - HB2 ARG 70 OK 17 84 - 20 - 91=2, 91/1.8=2...(6) H LYS 32 - HB3 ARG 70 OK 17 84 - 20 - 91=2, 91/1.8=2...(6) H LEU 29 - HB3 ARG 66 poor 9 81 - 12 - 937/4.0=2, 3924/3.0=1 H ILE 33 - HB3 ARG 66 lone 7 71 - 10 - 4.6/91=2, 96/3.0=1...(4) H LEU 29 - HB2 ARG 70 lone 6 66 - 9 - 546/2.9=2, 303/4.4=2, 2840/3.0=1 H LEU 29 - HB3 ARG 70 lone 6 66 - 9 - 546/2.9=2, 303/4.4=2, 2840/3.0=1 H VAL 76 - HB3 ARG 66 lone 6 60 - 9 - 812/3.0=1, 3.0/6044=1 H VAL 76 - HB3 ARG 70 lone 4 48 - 9 - 2840/3.0=2, 303/4.4=2...(5) H VAL 76 - HB2 ARG 70 lone 4 48 - 9 - 2840/3.0=2, 303/4.4=2...(5) H ILE 33 - HB2 ARG 70 lone 3 57 - 6 - 4.6/91=1 H ILE 33 - HB3 ARG 70 lone 3 57 - 6 - 4.6/91=1 Peak 3927 from cnoeabs.peaks (7.93, 2.01, 28.91 ppm; 5.34 A): 3 out of 12 assignments used, quality = 0.96: * H ASP 67 + HG2 ARG 66 OK 82 100 - 82 - 276/4.9=35, 5802/1.8=15...(15) H ARG 70 + HG2 ARG 66 OK 59 78 - 76 - 5802/1.8=12, 3924/4.1=8...(28) H LYS 32 + HG2 ARG 66 OK 40 97 - 41 - 5802/1.8=7, 91/2.8=6...(14) H VAL 76 - HB3 GLN 79 OK 32 48 - 67 - ~16044=33, ~5852=12...(11) H LEU 29 - HG2 ARG 66 OK 20 81 - 25 - 5802/1.8=4, 937/4.9=3...(10) H ASP 67 - HB3 GLN 79 OK 15 89 - 16 - 4.6/5038=5, 3.6/2678=3...(5) H VAL 76 - HG2 ARG 66 OK 13 60 - 21 - 5802/1.8=2, ~2707=2...(8) H ILE 33 - HG2 ARG 66 OK 10 71 - 15 - 3.6/2699=3, 5181/2.8=3...(5) H LYS 32 - HB3 GLN 79 lone 6 84 - 7 - H ARG 70 - HB3 GLN 79 lone 5 64 - 7 - H LEU 29 - HB3 GLN 79 lone 4 66 - 6 - H ILE 33 - HB3 GLN 79 lone 2 57 - 3 - Peak 3931 from cnoeabs.peaks (8.44, 4.48, 57.73 ppm; 4.30 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 68 + HA ASP 67 OK 100 100 - 100 - 3.6=100 H ALA 20 - HA ASP 67 OK 23 92 - 25 - 3932/3.0=6, 3933/3.0=6...(7) H ILE 68 - HA ASP 46 OK 19 90 - 21 - 285=6, 4.6/2735=4...(5) H GLU 87 - HA ASP 67 OK 13 93 - 14 - 938/3.0=4, 3933/3.0=3...(5) H ALA 20 - HA ASP 46 lone 2 78 - 3 - H GLU 87 - HA ASP 46 lone 2 79 - 2 - Peak 3932 from cnoeabs.peaks (8.44, 2.90, 41.70 ppm; 4.10 A): 3 out of 3 assignments used, quality = 0.92: * H ILE 68 + HB2 ASP 67 OK 87 100 - 87 - 4.6=70, 287/1.8=33...(7) H ALA 20 + HB2 ASP 67 OK 25 92 - 27 - 3933/1.8=7, 3.0/4738=5...(7) H GLU 87 + HB2 ASP 67 OK 12 93 - 13 - 3933/1.8=4, 938/3.9=3...(4) Peak 3933 from cnoeabs.peaks (8.44, 2.84, 41.70 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 68 + HB3 ASP 67 OK 93 100 - 93 - 4.6=81, 286/1.8=30...(9) H ALA 20 + HB3 ASP 67 OK 28 92 - 31 - 3932/1.8=8, 3.0/4739=5...(9) H GLU 87 - HB3 ASP 67 OK 15 93 - 16 - 3932/1.8=4, 938/3.9=3...(5) Peak 3934 from cnoeabs.peaks (7.98, 3.51, 65.41 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 69 + HA ILE 68 OK 100 100 - 100 - 3.6=100 H GLY 72 + HA ILE 68 OK 79 99 - 80 - 5845=34, 4.7/15389=21...(17) H LYS 73 - HA ILE 68 OK 42 93 - 45 - 4.5/5845=19, 5264/3.2=6...(10) H ALA 63 - HA ILE 68 OK 23 100 - 23 - 939/3.0=3, 3935/3.0=3...(9) H VAL 76 - HA ILE 68 OK 23 76 - 30 - 940/3.6=5, 4.6/5815=3...(13) H ALA 30 - HA ILE 68 OK 17 100 - 16 - 4194/3.0=5, 939/3.0=3...(6) Peak 3935 from cnoeabs.peaks (7.98, 1.90, 38.07 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.96: * H ARG 69 + HB ILE 68 OK 89 100 - 89 - 4.4=69, 288/3.9=16...(15) H GLY 72 + HB ILE 68 OK 61 99 - 62 - 5845/3.0=21, 5056/2.1=11...(16) H LYS 73 - HB ILE 68 OK 28 93 - 30 - 5264/2.1=7, 3.6/6108=4...(8) H ALA 63 - HB ILE 68 OK 23 100 - 23 - 3936/2.1=3, 259/2.9=3...(11) H VAL 76 - HB ILE 68 OK 17 76 - 23 - 940/4.4=4, 3936/2.1=3...(9) H ALA 30 - HB ILE 68 OK 17 100 - 17 - 4194=5, 3936/2.1=2...(6) Peak 3936 from cnoeabs.peaks (7.98, 0.81, 17.06 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 69 + QG2 ILE 68 OK 99 100 - 99 - 4.1=97, 288/4.0=17...(23) H GLY 72 + QG2 ILE 68 OK 75 99 - 76 - 5845/3.2=22, 5056=16...(20) H LYS 73 + QG2 ILE 68 OK 47 93 - 50 - 5264=9, 3.6/4795=8...(15) H ALA 63 - QG2 ILE 68 OK 28 100 - 28 - 3935/2.1=4, 259/3.2=3...(12) H VAL 76 - QG2 ILE 68 OK 25 76 - 32 - 940/4.1=4, 3.6/4763=3...(13) H ALA 30 - QG2 ILE 68 OK 20 100 - 19 - 4194/2.1=5, 3939/2.9=2...(5) Peak 3939 from cnoeabs.peaks (7.98, 0.78, 13.95 ppm; 4.75 A): 3 out of 6 assignments used, quality = 0.98: * H ARG 69 + QD1 ILE 68 OK 85 100 - 85 - 294=18, 288/5.0=18...(20) H GLY 72 + QD1 ILE 68 OK 80 99 - 81 - 5845/4.1=25, 5056/2.9=12...(23) H LYS 73 + QD1 ILE 68 OK 46 93 - 50 - 3.6/4797=8, 5264/2.9=8...(13) H ALA 63 - QD1 ILE 68 OK 35 100 - 35 - 259/2.1=5, 3936/2.9=4...(12) H ALA 30 - QD1 ILE 68 OK 28 100 - 28 - 4194/3.2=6, 5535/5302=4...(8) H VAL 76 - QD1 ILE 68 OK 26 76 - 35 - 3936/2.9=3, 3.0/4764=3...(15) Peak 3940 from cnoeabs.peaks (7.95, 3.63, 59.20 ppm; 4.41 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 70 + HA ARG 69 OK 100 100 - 100 - 3.6=100 H VAL 76 + HA ARG 69 OK 67 99 - 67 - 940/2.9=11, 3941/3.0=9...(21) H ASP 67 - HA ARG 69 OK 38 78 - 48 - ~5819=8, 4.6/4747=7...(13) H LYS 32 - HA ARG 69 OK 28 96 - 29 - 940/2.9=4, 3941/3.0=4...(11) H LEU 29 - HA ARG 69 OK 23 100 - 23 - 908/2.9=4, 3941/3.0=3...(8) H ALA 63 - HA ARG 69 OK 13 71 - 18 - 940/2.9=3, 295/3.6=2...(8) Peak 3941 from cnoeabs.peaks (7.95, 1.80, 29.46 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.99: * H ARG 70 + HB2 ARG 69 OK 97 100 - 97 - 4.3=94, 298/1.8=13...(11) H VAL 76 + HB2 ARG 69 OK 67 99 - 68 - 341=10, 3942/1.8=9...(23) H LYS 32 - HB2 ARG 69 OK 25 96 - 26 - 3942/1.8=4, 3944/3.0=3...(10) H ASP 67 - HB2 ARG 69 OK 22 78 - 28 - 940/4.0=5, 5807/3.0=5...(8) H LEU 29 - HB2 ARG 69 OK 18 100 - 18 - 908/4.0=3, 3942/1.8=3...(6) H ALA 63 - HB2 ARG 69 poor 9 71 - 12 - 940/4.0=2, 295/4.3=2...(6) Peak 3942 from cnoeabs.peaks (7.95, 1.39, 29.46 ppm; 4.57 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 70 + HB3 ARG 69 OK 100 100 - 100 - 4.3=100 H VAL 76 + HB3 ARG 69 OK 72 99 - 73 - 3941/1.8=12, 3944/3.0=9...(25) H LYS 32 - HB3 ARG 69 OK 31 96 - 32 - 3941/1.8=5, 3944/3.0=4...(12) H ASP 67 - HB3 ARG 69 OK 29 78 - 37 - 3.6/4733=10, 940/4.0=6...(8) H LEU 29 - HB3 ARG 69 OK 22 100 - 22 - 908/4.0=4, 3941/1.8=3...(6) H ALA 63 - HB3 ARG 69 OK 11 71 - 15 - 940/4.0=3, 295/4.3=2...(6) Peak 3943 from cnoeabs.peaks (7.95, 1.24, 27.02 ppm; 4.18 A): 6 out of 12 assignments used, quality = 0.93: H VAL 76 + HG2 ARG 69 OK 61 99 - 61 - 3944/1.8=9, 3941/3.0=9...(21) * H ARG 70 + HG2 ARG 69 OK 53 100 - 53 - 3941/3.0=13, 5829=12...(11) H ASP 67 + HG2 ARG 69 OK 25 78 - 32 - 5807/3.9=4, 940/4.7=4...(11) H LYS 32 + HG2 ARG 69 OK 24 96 - 25 - 3944/1.8=4, 3941/3.0=3...(9) H LYS 32 + HG13 ILE 33 OK 17 56 - 31 - 4.6/575=8, 5541/1.8=7...(9) H LEU 29 + HG2 ARG 69 OK 16 100 - 16 - 3944/1.8=3, 908/4.7=2...(5) H LEU 29 - HG13 ILE 33 poor 9 63 - 14 - 3.6/4172=6, 5534/1.8=3, ~3626=1 H ALA 63 - HG2 ARG 69 poor 9 71 - 12 - 940/4.7=2, 3944/1.8=1...(5) H ARG 70 - HG13 ILE 33 poor 8 63 - 12 - 5829=2, 4.3/2796=1...(5) H ASP 67 - HG13 ILE 33 poor 5 42 - 11 - 5804=3, 4.6/274=2...(4) H VAL 76 - HG13 ILE 33 lone 4 61 - 6 - H ALA 63 - HG13 ILE 33 lone 3 37 - 9 - 3.6/4999=3, 4.7/4697=2 Peak 3944 from cnoeabs.peaks (7.95, 1.38, 27.02 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.95: H VAL 76 + HG3 ARG 69 OK 75 99 - 76 - 3943/1.8=12, 3941/3.0=11...(24) * H ARG 70 + HG3 ARG 69 OK 68 100 - 68 - 3941/3.0=16, 298/3.0=13...(11) H LYS 32 + HG3 ARG 69 OK 31 96 - 33 - 3943/1.8=5, 3942/3.0=4...(11) H ASP 67 - HG3 ARG 69 OK 28 78 - 36 - 3.6/4733=8, 5807/3.9=6...(8) H LEU 29 - HG3 ARG 69 OK 22 100 - 22 - 3943/1.8=3, 908/4.7=3...(6) H ALA 63 - HG3 ARG 69 OK 11 71 - 15 - 940/4.7=3, 3943/1.8=2...(5) Peak 3948 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 3.82 A): 3 out of 15 assignments used, quality = 0.98: H ARG 71 + HB3 ARG 70 OK 82 100 - 82 - 4.4=64, 305/1.8=14...(11) * H ARG 71 + HB2 ARG 70 OK 82 100 - 82 - 4.4=64, 305/1.8=14...(11) H ARG 71 + HB3 ARG 66 OK 47 89 - 53 - 305=10, 307/2.8=6...(16) H LYS 75 - HB3 ARG 70 OK 13 92 - 14 - 5390/4.1=5, 5391/3.0=4 H LYS 75 - HB2 ARG 70 OK 13 92 - 14 - 5390/4.1=5, 5391/3.0=4 H LYS 85 - HB3 ARG 70 OK 13 100 - 13 - 5390/4.1=4, 5391/3.0=3 H LYS 85 - HB2 ARG 70 OK 13 100 - 13 - 5390/4.1=4, 5391/3.0=3 H ARG 26 - HB3 ARG 66 OK 12 57 - 21 - 3.0/5372=2, ~5167=2...(7) H ARG 26 - HB3 ARG 70 poor 7 71 - 10 - 5391/3.0=2 H ARG 26 - HB2 ARG 70 poor 7 71 - 10 - 5391/3.0=2 H LYS 75 - HB3 ARG 66 lone 4 77 - 5 - 5851/3.0=1 H LYS 85 - HB3 ARG 66 lone 3 89 - 3 - H THR 88 - HB2 ARG 70 lone 2 71 - 2 - H THR 88 - HB3 ARG 70 lone 2 71 - 2 - H THR 88 - HB3 ARG 66 lone 1 57 - 1 - Peak 3949 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 3.82 A): 3 out of 15 assignments used, quality = 0.98: * H ARG 71 + HB3 ARG 70 OK 82 100 - 82 - 4.4=64, 305/1.8=14...(11) H ARG 71 + HB2 ARG 70 OK 82 100 - 82 - 4.4=64, 305/1.8=14...(11) H ARG 71 + HB3 ARG 66 OK 47 89 - 53 - 305=10, 307/2.8=6...(16) H LYS 75 - HB3 ARG 70 OK 13 92 - 14 - 5390/4.1=5, 5391/3.0=4 H LYS 75 - HB2 ARG 70 OK 13 92 - 14 - 5390/4.1=5, 5391/3.0=4 H LYS 85 - HB3 ARG 70 OK 13 100 - 13 - 5390/4.1=4, 5391/3.0=3 H LYS 85 - HB2 ARG 70 OK 13 100 - 13 - 5390/4.1=4, 5391/3.0=3 H ARG 26 - HB3 ARG 66 OK 12 57 - 21 - 3.0/5372=2, ~5167=2...(7) H ARG 26 - HB3 ARG 70 poor 7 71 - 10 - 5391/3.0=2 H ARG 26 - HB2 ARG 70 poor 7 71 - 10 - 5391/3.0=2 H LYS 75 - HB3 ARG 66 lone 4 77 - 5 - 5851/3.0=1 H LYS 85 - HB3 ARG 66 lone 3 89 - 3 - H THR 88 - HB2 ARG 70 lone 2 71 - 2 - H THR 88 - HB3 ARG 70 lone 2 71 - 2 - H THR 88 - HB3 ARG 66 lone 1 57 - 1 - Peak 3954 from cnoeabs.peaks (7.99, 4.08, 58.40 ppm; 3.71 A): 1 out of 15 assignments used, quality = 1.00: * H GLY 72 + HA ARG 71 OK 100 100 - 100 - 3.6=100 H ALA 30 - HA ARG 71 OK 25 99 - 26 - 5387=7, 4.6/4184=3...(6) H GLY 72 - HA ARG 26 OK 24 90 - 26 - 312=7, 5.0/2929=4...(9) H ALA 30 - HA ARG 26 OK 24 87 - 27 - 5387=6, 4194/3.0=4...(9) H ARG 69 - HA ARG 71 OK 24 99 - 24 - 5825/2.9=11, ~5837=5...(4) H ALA 63 - HA ARG 71 OK 23 95 - 24 - 725=4, 942/2.9=3...(10) H ALA 30 - HA GLU 25 OK 23 90 - 25 - 5387=8, 2.9/5388=4...(9) H LYS 73 - HA ARG 71 OK 21 99 - 22 - 5987/4.7=7, 942/2.9=6...(4) H ALA 63 - HA ARG 26 OK 16 81 - 20 - 725=4, 3.6/4677=2...(8) H GLY 72 - HA GLU 25 OK 11 93 - 12 - 312=3, 5397/3.6=3...(4) H LYS 73 - HA ARG 26 lone 9 88 - 10 - 4.5/312=3, 944/3.0=1 H ARG 69 - HA ARG 26 lone 5 87 - 6 - 5825/775=1 H LYS 73 - HA GLU 25 lone 5 91 - 5 - 4.5/312=1, 944/3.6=1 H ALA 63 - HA GLU 25 lone 4 84 - 5 - H ARG 69 - HA GLU 25 lone 4 90 - 4 - Peak 3955 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.40 A): 2 out of 55 assignments used, quality = 1.00: * H GLY 72 + HB2 ARG 71 OK 99 100 - 99 - 4.4=99 H GLY 72 + HB3 ARG 71 OK 99 100 - 99 - 4.4=99 H ALA 30 - HB2 ARG 27 OK 44 99 - 45 - 5387/3.0=12, ~5388=10...(9) H ALA 30 - HB3 ARG 27 OK 44 98 - 45 - 5387/3.0=12, ~5388=10...(8) H LYS 73 - HB2 ARG 71 OK 26 99 - 26 - 4.5/314=8, 942/4.0=7...(6) H LYS 73 - HB3 ARG 71 OK 25 99 - 26 - 4.5/314=8, 942/4.0=7...(6) H ARG 69 - HB2 ARG 71 OK 25 99 - 25 - 5825/4.0=12, 3.6/5392=6...(5) H ARG 69 - HB3 ARG 71 OK 25 99 - 25 - 5825/4.0=12, 3.6/5392=6...(5) H ALA 63 - HB2 ARG 71 OK 22 95 - 24 - 725/3.0=4, 256/2.8=3...(8) H ALA 63 - HB3 ARG 71 OK 22 94 - 24 - 725/3.0=4, 256/2.8=3...(8) H ALA 63 - HB2 ARG 66 OK 22 48 - 47 - ~4684=8, 3.0/5369=8...(11) H ALA 30 - HB2 ARG 71 OK 21 99 - 21 - 5387/3.0=7, 942/4.0=3...(6) H ALA 30 - HB3 ARG 71 OK 21 99 - 21 - 5387/3.0=7, 942/4.0=3...(6) H GLY 72 - HB2 ARG 27 OK 14 100 - 14 - 314=2, 314/1.8=2...(7) H GLY 72 - HB3 ARG 27 OK 14 100 - 14 - 314=2, 314/1.8=2...(7) H ALA 30 - HB2 ARG 26 OK 14 49 - 29 - 4194/1.8=7, 5387/3.0=6...(8) H ALA 30 - HB3 ARG 26 OK 13 46 - 29 - 4194/1.8=7, 5387/3.0=6...(8) H ARG 69 - HB2 ARG 66 OK 13 52 - 24 - 5379/3.0=6, 940/4.6=5...(7) H GLY 72 - HB2 ARG 26 OK 12 51 - 24 - 312/3.0=6, 5397/3.9=3...(10) H ALA 30 - HB3 ARG 23 OK 12 76 - 16 - ~5388=2, 83/3.0=2...(8) H ALA 30 - HB2 ARG 23 OK 12 75 - 16 - ~5388=2, 83/3.0=2...(8) H GLY 72 - HB3 ARG 26 OK 12 49 - 24 - 312/3.0=6, 5397/3.9=3...(9) H GLY 72 - HB2 ARG 66 OK 11 55 - 20 - 5842/1.8=5, 783/3.0=3...(6) H ALA 63 - HB2 ARG 26 poor 8 44 - 19 - 725/3.0=3, 3.0/5369=3...(7) H ALA 63 - HB3 ARG 26 poor 8 42 - 19 - 725/3.0=3, 3.0/5369=3...(7) H ALA 63 - HB2 ARG 17 poor 8 45 - 17 - 5779/4.0=4, 4690/3.0=4...(5) H ALA 30 - HB2 ARG 66 poor 7 52 - 13 - 4841/3.0=3, 4194=2...(5) H GLY 72 - HB3 ARG 23 lone 7 79 - 8 - 314=1 H GLY 72 - HB2 ARG 23 lone 7 79 - 8 - 314=1 H LYS 73 - HB2 ARG 27 lone 6 99 - 6 - H LYS 73 - HB3 ARG 27 lone 6 99 - 6 - H ALA 63 - HB2 ARG 27 lone 6 94 - 6 - 5386/3.0=1 H GLY 72 - HB2 ARG 17 poor 6 52 - 11 - 5.0/2930=2, 313=1...(6) H ALA 63 - HB3 ARG 27 lone 6 94 - 6 - 5386/3.0=1 H ARG 69 - HB3 ARG 27 lone 5 98 - 5 - H ARG 69 - HB2 ARG 27 lone 5 99 - 5 - H LYS 73 - HB2 ARG 26 lone 4 50 - 8 - 944/3.9=1, 4.5/314=1, 3954/3.0=1 H LYS 73 - HB3 ARG 23 lone 4 77 - 5 - H LYS 73 - HB2 ARG 23 lone 4 77 - 5 - H LYS 73 - HB3 ARG 26 lone 4 48 - 8 - 944/3.9=1, 4.5/314=1, 3954/3.0=1 H GLY 72 - HB3 PRO 34 lone 4 51 - 7 - 5841/2.3=1, 5.0/2931=1 H LYS 73 - HB2 ARG 66 lone 4 53 - 7 - 5987/3.0=3, 4.5/314=1 H LYS 73 - HB2 ARG 17 lone 4 50 - 7 - H ARG 69 - HB3 ARG 23 lone 3 76 - 4 - H ARG 69 - HB2 ARG 23 lone 3 75 - 4 - H ALA 63 - HB3 ARG 23 lone 3 70 - 4 - H ALA 63 - HB2 ARG 23 lone 3 70 - 4 - H ARG 69 - HB2 ARG 26 lone 3 49 - 6 - H ARG 69 - HB3 ARG 26 lone 3 46 - 6 - H ARG 69 - HB3 PRO 34 lone 2 48 - 5 - H LYS 73 - HB3 PRO 34 lone 2 49 - 4 - H ALA 30 - HB3 PRO 34 lone 1 48 - 3 - H ALA 30 - HB2 ARG 17 lone 1 49 - 3 - H ALA 63 - HB3 PRO 34 lone 1 44 - 3 - H ARG 69 - HB2 ARG 17 lone 1 49 - 2 - Peak 3956 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.40 A): 2 out of 55 assignments used, quality = 1.00: * H GLY 72 + HB3 ARG 71 OK 99 100 - 99 - 4.4=99 H GLY 72 + HB2 ARG 71 OK 99 100 - 99 - 4.4=99 H ALA 30 - HB2 ARG 27 OK 44 98 - 45 - 5387/3.0=12, ~5388=10...(9) H ALA 30 - HB3 ARG 27 OK 44 99 - 45 - 5387/3.0=12, ~5388=10...(8) H LYS 73 - HB2 ARG 71 OK 25 99 - 26 - 4.5/314=8, 942/4.0=7...(6) H LYS 73 - HB3 ARG 71 OK 25 99 - 26 - 4.5/314=8, 942/4.0=7...(6) H ARG 69 - HB3 ARG 71 OK 25 99 - 25 - 5825/4.0=12, 3.6/5392=6...(5) H ARG 69 - HB2 ARG 71 OK 25 99 - 25 - 5825/4.0=12, 3.6/5392=6...(5) H ALA 63 - HB2 ARG 66 OK 23 50 - 47 - ~4684=8, 3.0/5369=8...(11) H ALA 63 - HB2 ARG 71 OK 22 94 - 24 - 725/3.0=4, 256/2.8=3...(8) H ALA 63 - HB3 ARG 71 OK 22 95 - 24 - 725/3.0=4, 256/2.8=3...(8) H ALA 30 - HB3 ARG 71 OK 21 99 - 21 - 5387/3.0=7, 942/4.0=3...(6) H ALA 30 - HB2 ARG 71 OK 21 99 - 21 - 5387/3.0=7, 942/4.0=3...(6) H ALA 30 - HB2 ARG 26 OK 15 51 - 29 - 4194/1.8=7, 5387/3.0=6...(8) H GLY 72 - HB2 ARG 27 OK 14 100 - 14 - 314=2, 314/1.8=2...(7) H GLY 72 - HB3 ARG 27 OK 14 100 - 14 - 314=2, 314/1.8=2...(7) H ALA 30 - HB3 ARG 26 OK 14 49 - 29 - 4194/1.8=7, 5387/3.0=6...(8) H ARG 69 - HB2 ARG 66 OK 13 54 - 24 - 5379/3.0=6, 940/4.6=5...(7) H GLY 72 - HB2 ARG 26 OK 13 54 - 24 - 312/3.0=6, 5397/3.9=3...(10) H GLY 72 - HB3 ARG 26 OK 12 51 - 24 - 312/3.0=6, 5397/3.9=3...(9) H ALA 30 - HB3 ARG 23 OK 12 75 - 16 - ~5388=2, 83/3.0=2...(8) H ALA 30 - HB2 ARG 23 OK 12 74 - 16 - ~5388=2, 83/3.0=2...(8) H GLY 72 - HB2 ARG 66 OK 11 57 - 20 - 5842/1.8=5, 783/3.0=3...(6) H ALA 63 - HB2 ARG 26 poor 9 47 - 19 - 725/3.0=3, 3.0/5369=3...(7) H ALA 63 - HB3 ARG 26 poor 8 44 - 19 - 725/3.0=3, 3.0/5369=3...(7) H ALA 63 - HB2 ARG 17 poor 8 44 - 17 - 5779/4.0=4, 4690/3.0=4...(5) H ALA 30 - HB2 ARG 66 poor 7 54 - 13 - 4841/3.0=3, 4194=2...(5) H GLY 72 - HB3 ARG 23 lone 6 79 - 8 - 314=1 H GLY 72 - HB2 ARG 23 lone 6 78 - 8 - 314=1 H LYS 73 - HB2 ARG 27 lone 6 99 - 6 - H LYS 73 - HB3 ARG 27 lone 6 99 - 6 - H ALA 63 - HB2 ARG 27 lone 6 94 - 6 - 5386/3.0=1 H ALA 63 - HB3 ARG 27 lone 6 94 - 6 - 5386/3.0=1 H GLY 72 - HB2 ARG 17 poor 6 51 - 11 - 5.0/2930=2, 313=1...(6) H ARG 69 - HB2 ARG 27 lone 5 98 - 5 - H ARG 69 - HB3 ARG 27 lone 5 99 - 5 - H LYS 73 - HB2 ARG 26 lone 4 52 - 8 - 944/3.9=1, 4.5/314=1, 3954/3.0=1 H LYS 73 - HB3 ARG 26 lone 4 50 - 8 - 944/3.9=1, 4.5/314=1, 3954/3.0=1 H LYS 73 - HB3 ARG 23 lone 4 77 - 5 - H LYS 73 - HB2 ARG 23 lone 4 76 - 5 - H GLY 72 - HB3 PRO 34 lone 4 52 - 7 - 5841/2.3=1, 5.0/2931=1 H LYS 73 - HB2 ARG 66 lone 4 55 - 7 - 5987/3.0=3, 4.5/314=1 H LYS 73 - HB2 ARG 17 lone 4 49 - 7 - H ARG 69 - HB2 ARG 26 lone 3 51 - 6 - H ARG 69 - HB3 ARG 23 lone 3 75 - 4 - H ARG 69 - HB2 ARG 23 lone 3 74 - 4 - H ALA 63 - HB3 ARG 23 lone 3 70 - 4 - H ALA 63 - HB2 ARG 23 lone 3 69 - 4 - H ARG 69 - HB3 ARG 26 lone 3 49 - 6 - H ARG 69 - HB3 PRO 34 lone 2 50 - 5 - H LYS 73 - HB3 PRO 34 lone 2 51 - 4 - H ALA 30 - HB3 PRO 34 lone 1 50 - 3 - H ALA 63 - HB3 PRO 34 lone 1 45 - 3 - H ALA 30 - HB2 ARG 17 lone 1 48 - 3 - H ARG 69 - HB2 ARG 17 lone 1 48 - 2 - Peak 3957 from cnoeabs.peaks (7.99, 1.62, 28.82 ppm; 4.50 A): 3 out of 25 assignments used, quality = 0.99: * H GLY 72 + HG2 ARG 71 OK 87 100 - 87 - 5.0=74, 5397/5.0=16...(10) H LYS 73 + HD3 LYS 73 OK 77 96 - 80 - 6.1=40, 789/2.9=21...(17) H LYS 73 + HD2 LYS 73 OK 77 96 - 80 - 6.1=40, 789/2.9=21...(17) H GLY 72 - HD2 LYS 73 OK 36 98 - 37 - 2988/2.9=5, 4.5/791=5...(11) H GLY 72 - HD3 LYS 73 OK 36 98 - 37 - 2988/2.9=5, 4.5/791=5...(11) H LYS 73 - HD3 LYS 32 OK 34 98 - 35 - 5987/5.1=5, 791=4...(14) H LYS 73 - HD2 LYS 32 OK 33 96 - 35 - 5987/5.1=5, 791=4...(16) H LYS 73 - HG2 ARG 71 OK 25 99 - 25 - 4.5/5840=6, 942/5.0=5...(8) H ARG 69 - HG2 ARG 71 OK 23 99 - 24 - 5825/5.0=10, 3.6/5045=4...(7) H ARG 69 - HD3 LYS 73 OK 23 95 - 24 - 760/3.5=4, 763/2.9=3...(10) H ARG 69 - HD2 LYS 73 OK 23 95 - 24 - 760/3.5=4, 763/2.9=3...(10) H ALA 63 - HG2 ARG 71 OK 23 95 - 24 - 256/1.8=4, 725/3.8=3...(8) H GLY 72 - HD3 LYS 32 OK 21 99 - 21 - 5840=3, 5840/1.8=2...(9) H GLY 72 - HD2 LYS 32 OK 21 98 - 21 - 5840=3, 5840/1.8=2...(9) H ALA 30 - HG2 ARG 71 OK 18 99 - 18 - 5387/3.8=6, 942/5.0=2...(4) H ALA 30 - HD3 LYS 32 OK 15 97 - 15 - 5535/3.0=4, 79/6.1=4, 4841/5.1=3 H ALA 30 - HD2 LYS 32 OK 15 95 - 15 - 5535/3.0=4, 79/6.1=4, 4841/5.1=3 H ALA 63 - HD3 LYS 73 OK 13 90 - 14 - 726/2.9=2, 257/1.8=1 H ALA 63 - HD2 LYS 73 OK 13 90 - 14 - 726/2.9=2, 257/1.8=1 H ARG 69 - HD3 LYS 32 OK 12 97 - 13 - 4.6/771=2, 5379/5.1=2...(5) H ARG 69 - HD2 LYS 32 OK 12 95 - 13 - 4.6/771=2, 5379/5.1=2...(5) H ALA 30 - HD2 LYS 73 lone 9 95 - 9 - 2988/2.9=1, 80/5.2=1 H ALA 30 - HD3 LYS 73 lone 9 95 - 9 - 2988/2.9=1, 80/5.2=1 H ALA 63 - HD3 LYS 32 lone 6 92 - 6 - H ALA 63 - HD2 LYS 32 lone 5 90 - 6 - Peak 3961 from cnoeabs.peaks (8.00, 3.96, 46.02 ppm; 3.53 A): 3 out of 5 assignments used, quality = 1.00: H GLY 72 + HA2 GLY 72 OK 99 99 - 100 - 3.0=100 * H LYS 73 + HA2 GLY 72 OK 98 100 - 98 - 3.6=97, 3962/1.8=14...(5) H ARG 69 + HA2 GLY 72 OK 46 93 - 49 - ~15492=9, 5379=6...(16) H ALA 30 - HA2 GLY 72 lone 7 93 - 8 - 4841=1 H ALA 63 - HA2 GLY 72 lone 7 85 - 8 - ~312=1 Peak 3962 from cnoeabs.peaks (8.00, 3.74, 46.02 ppm; 3.51 A): 2 out of 5 assignments used, quality = 1.00: H GLY 72 + HA3 GLY 72 OK 99 99 - 100 - 3.0=100 * H LYS 73 + HA3 GLY 72 OK 97 100 - 97 - 3.6=96, 3961/1.8=14...(6) H ARG 69 - HA3 GLY 72 OK 37 93 - 40 - ~15492=9, 2952/1.8=7...(13) H ALA 63 - HA3 GLY 72 lone 6 85 - 7 - ~312=1, 2952/1.8=1 H ALA 30 - HA3 GLY 72 lone 5 93 - 5 - 2952/1.8=1 Peak 3963 from cnoeabs.peaks (8.15, 4.18, 56.67 ppm; 3.92 A): 1 out of 28 assignments used, quality = 0.99: * H ASN 74 + HA LYS 73 OK 99 99 - 100 - 3.6=100 H ILE 89 - HA LYS 73 OK 28 78 - 36 - 876=6, 4.0/3605=5...(13) H ILE 89 - HA ARG 84 OK 16 75 - 22 - 876=4, 4.0/3605=3...(12) H LEU 57 - HA LYS 73 OK 14 99 - 14 - 944/3.0=3, 691/3.8=2...(7) H ILE 89 - HA LEU 29 OK 13 50 - 26 - 876=5, 4.0/3612=4...(11) H ALA 78 - HA LYS 73 OK 12 99 - 12 - 944/3.0=2, 820=1, 3964/3.0=1 H ASN 74 - HA ARG 84 OK 11 97 - 11 - 323=3, 4.5/786=2...(4) H ARG 26 - HA LEU 29 poor 9 50 - 19 - 5516/4.0=3, ~5348=2...(9) H ARG 27 - HA LEU 29 poor 7 41 - 18 - 5520/4.9=6, 5519/4.5=4...(6) H ARG 26 - HA LYS 73 lone 6 78 - 8 - 944/3.0=1, 323=1 H ASN 74 - HA LEU 29 lone 6 70 - 8 - 4.5/786=2, 323=1 H ARG 26 - HA ARG 84 lone 6 75 - 7 - 323=1 H THR 88 - HA LYS 73 lone 4 78 - 6 - 4.6/876=3 H ARG 27 - HA LYS 73 lone 4 66 - 6 - H ALA 78 - HA ARG 84 lone 4 97 - 4 - H ARG 27 - HA ARG 84 lone 4 63 - 6 - H LEU 57 - HA LEU 29 lone 4 70 - 5 - 5747/3.0=1 H ASN 74 - HA ARG 82 lone 3 54 - 6 - 323=2, 4.5/786=1 H THR 88 - HA ARG 84 lone 3 75 - 3 - 4.6/876=2 H ILE 89 - HA ARG 82 lone 2 37 - 6 - H ALA 78 - HA ARG 82 lone 2 53 - 4 - ~5473=1, 4.6/823=1 H THR 88 - HA LEU 29 lone 2 50 - 4 - 4.6/876=2 H LEU 57 - HA ARG 84 lone 2 97 - 2 - H ALA 78 - HA LEU 29 lone 1 70 - 2 - H LEU 57 - HA ARG 82 lone 1 54 - 2 - H ARG 26 - HA ARG 82 lone 1 37 - 2 - H THR 88 - HA ARG 82 lone 1 37 - 1 - H ARG 27 - HA ARG 82 lone 1 30 - 2 - Peak 3964 from cnoeabs.peaks (8.15, 1.82, 32.45 ppm; 5.10 A): 1 out of 21 assignments used, quality = 1.00: * H ASN 74 + HB2 LYS 73 OK 100 100 - 100 - 4.3=100 H ILE 89 - HB2 LYS 73 OK 39 81 - 49 - 3.0/3599=8, 4.0/3613=8...(14) H ASN 74 - HB2 LYS 75 OK 24 77 - 32 - 4.6/803=9, 324=4...(10) H LEU 57 - HB2 LYS 73 OK 24 100 - 24 - 691/2.9=4, 944/4.0=4...(8) H ALA 78 - HB2 LYS 73 OK 18 100 - 17 - 944/4.0=2, 3963/3.0=2...(4) H ASN 74 - HB2 LYS 85 OK 16 78 - 21 - ~6055=4, 4.5/787=3...(7) H ILE 89 - HB2 LYS 85 OK 15 56 - 27 - 3.0/3599=4, ~6062=3...(10) H ALA 78 - HB2 LYS 75 poor 9 76 - 12 - 354/3.0=2, 821/2.7=1...(4) H THR 88 - HB2 LYS 73 lone 8 81 - 10 - 4.6/877=6 H ARG 26 - HB2 LYS 73 lone 8 81 - 9 - 944/4.0=2 H ILE 89 - HB2 LYS 75 poor 7 55 - 14 - 4.9/3634=2, 3.0/3599=2...(6) H ALA 78 - HB2 LYS 85 lone 7 77 - 8 - H ARG 27 - HB2 LYS 73 lone 6 68 - 9 - 944/4.0=1 H LEU 57 - HB2 LYS 75 lone 5 77 - 6 - H LEU 57 - HB2 LYS 85 lone 3 78 - 4 - H ARG 27 - HB2 LYS 85 lone 3 46 - 6 - H THR 88 - HB2 LYS 85 lone 3 56 - 5 - 4.6/877=2 H ARG 26 - HB2 LYS 85 lone 2 56 - 4 - H ARG 26 - HB2 LYS 75 lone 2 55 - 3 - H THR 88 - HB2 LYS 75 lone 2 55 - 3 - 4.6/877=1 H ARG 27 - HB2 LYS 75 lone 2 45 - 4 - Peak 3965 from cnoeabs.peaks (8.15, 1.78, 32.45 ppm; 5.33 A): 1 out of 42 assignments used, quality = 1.00: * H ASN 74 + HB3 LYS 73 OK 100 100 - 100 - 4.3=100 H ILE 89 - HB3 LYS 73 OK 35 81 - 44 - 4.5/6149=7, ~3599=7...(14) H LEU 57 - HB3 LYS 73 OK 30 100 - 30 - 691/2.9=4, 944/4.0=4...(13) H ASN 74 - HB3 LYS 75 OK 29 93 - 31 - 4.6/804=8, 324/1.8=4...(10) H ALA 78 - HB3 LYS 73 OK 19 100 - 19 - 944/4.0=3, 3964/1.8=3...(4) H ASN 74 - HB2 LYS 83 OK 16 96 - 16 - ~6055=4, 3.0/6053=2...(6) H LEU 57 - HB3 LYS 39 OK 15 99 - 14 - 5747/2.9=4, 5747/3.5=1...(4) H ILE 89 - HB2 LYS 13 OK 14 72 - 19 - 4.5/6149=3, 5269/3.0=3...(7) H ASN 74 - HB2 LYS 85 OK 13 66 - 19 - ~6055=5, 327/2.9=2...(8) H ASN 74 - HB3 LYS 39 OK 12 100 - 13 - 4.6/804=3, 4.5/788=1...(5) H LEU 57 - HB2 LYS 13 OK 12 95 - 13 - 691/3.0=2, ~2431=1 H ALA 78 - HB3 LYS 75 OK 11 92 - 12 - 354/3.0=2, 3964/1.8=1...(4) H ASN 74 - HB2 LYS 13 poor 10 95 - 10 - 4.6/804=2, 3.6/2979=1...(4) H ILE 89 - HB3 LYS 75 poor 8 69 - 12 - 4.5/6149=2, ~3599=1, 877/1.8=1 H ARG 26 - HB3 LYS 73 lone 8 81 - 10 - 944/4.0=2, 3964/1.8=1 H ILE 89 - HB2 LYS 85 poor 8 46 - 17 - ~6062=4, 5269/2.9=3...(5) H LEU 57 - HB3 LYS 75 lone 8 92 - 8 - 5745/5.0=1 H ARG 27 - HB3 LYS 73 lone 7 68 - 10 - 944/4.0=1 H ALA 78 - HB2 LYS 83 lone 6 96 - 7 - H ALA 78 - HB2 LYS 85 lone 6 65 - 8 - H ILE 89 - HB3 LYS 39 lone 5 79 - 6 - 4.5/6149=1 H ALA 78 - HB3 LYS 39 lone 5 99 - 5 - H ILE 89 - HB2 LYS 83 lone 5 74 - 6 - H THR 88 - HB3 LYS 73 lone 4 81 - 5 - 3964/1.8=1 H ARG 27 - HB3 LYS 39 lone 4 67 - 5 - H ARG 27 - HB2 LYS 13 lone 4 60 - 6 - H LEU 57 - HB2 LYS 83 lone 3 96 - 3 - H ARG 26 - HB3 LYS 39 lone 3 79 - 4 - H ALA 78 - HB2 LYS 13 lone 3 94 - 3 - H ARG 26 - HB2 LYS 83 lone 3 74 - 4 - H ARG 27 - HB3 LYS 75 lone 3 58 - 4 - H LEU 57 - HB2 LYS 85 lone 3 66 - 4 - H ARG 26 - HB3 LYS 75 lone 2 69 - 4 - H ARG 27 - HB2 LYS 85 lone 2 38 - 6 - 5519/2.9=1 H ARG 26 - HB2 LYS 13 lone 2 72 - 3 - H ARG 27 - HB2 LYS 83 lone 2 62 - 3 - H THR 88 - HB2 LYS 13 lone 2 72 - 3 - H THR 88 - HB3 LYS 75 lone 2 69 - 2 - H THR 88 - HB3 LYS 39 lone 2 79 - 2 - H ARG 26 - HB2 LYS 85 lone 2 46 - 4 - H THR 88 - HB2 LYS 83 lone 1 74 - 2 - H THR 88 - HB2 LYS 85 lone 1 46 - 2 - Peak 3972 from cnoeabs.peaks (8.09, 4.62, 53.40 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 75 + HA ASN 74 OK 100 100 - 100 - 3.6=100 H LYS 75 - HA ASN 80 OK 21 99 - 21 - 333=6, 4.6/796=4...(6) H ARG 71 - HA ASN 74 OK 16 92 - 17 - ~6010=3, ~5836=3...(5) H LYS 85 - HA ASN 80 OK 11 91 - 12 - 4.0/6055=3, 333=2...(4) H LYS 85 - HA ASN 74 lone 8 93 - 9 - 4.0/6055=3, 333=2 H ARG 71 - HA ASN 80 lone 2 89 - 3 - Peak 3973 from cnoeabs.peaks (8.09, 2.81, 38.52 ppm; 4.99 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 75 + HB2 ASN 74 OK 100 100 - 100 - 4.6=100 H LYS 75 + HB3 ASN 74 OK 57 57 - 100 - 4.6=100 H ARG 71 - HB2 ASN 74 OK 26 92 - 28 - 2.9/6010=9, ~5836=6...(5) H ARG 71 - HB3 ASN 74 OK 13 48 - 27 - 2.9/5836=8, ~6010=6...(5) H LYS 85 - HB2 ASN 74 lone 8 93 - 8 - 3972/3.0=2, 334=1, 335/1.8=1 H LYS 85 - HB3 ASN 74 lone 3 49 - 6 - 3972/3.0=2, 334/1.8=1 Peak 3974 from cnoeabs.peaks (8.09, 2.78, 38.52 ppm; 5.14 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 75 + HB3 ASN 74 OK 100 100 - 100 - 4.6=100 H LYS 75 + HB2 ASN 74 OK 57 57 - 100 - 4.6=100 H ARG 71 - HB3 ASN 74 OK 26 92 - 29 - 2.9/5836=9, ~6010=7...(5) H LYS 75 - HB3 ASN 80 OK 14 69 - 20 - 333/3.0=6, 335=3...(5) H ARG 71 - HB2 ASN 74 OK 13 48 - 28 - 2.9/5836=8, ~5836=7...(5) H LYS 85 - HB3 ASN 74 lone 8 93 - 8 - 3972/3.0=2, 334/1.8=1, 335=1 H LYS 85 - HB3 ASN 80 lone 6 59 - 10 - 3972/3.0=3, ~5869=2, 2.9/5875=1 H LYS 85 - HB2 ASN 74 lone 4 49 - 7 - 3972/3.0=2, 335/1.8=1 H ARG 71 - HB3 ASN 80 lone 2 58 - 3 - Peak 3975 from cnoeabs.peaks (7.96, 4.24, 56.87 ppm; 3.43 A): 2 out of 8 assignments used, quality = 0.95: * H VAL 76 + HA LYS 75 OK 93 100 - 93 - 3.6=88, 340/3.0=11...(11) H ARG 70 + HA LYS 75 OK 27 99 - 27 - 5390/3.0=6, 295/3.6=3...(13) H ARG 69 - HA LYS 75 OK 19 76 - 26 - 940/3.6=5, 5825/3.0=4...(11) H LEU 29 - HA LYS 75 OK 11 99 - 11 - 908/3.6=2, 77/4.7=2, 5410/3.0=1 H LYS 32 - HA LYS 75 lone 6 85 - 7 - 3156/4.7=1 H ALA 30 - HA LYS 75 lone 5 76 - 6 - 79/3.6=1 H ALA 63 - HA LYS 75 lone 4 87 - 4 - H ASP 67 - HA LYS 75 lone 3 60 - 5 - Peak 3976 from cnoeabs.peaks (7.96, 1.84, 32.59 ppm; 4.15 A): 3 out of 24 assignments used, quality = 0.94: * H VAL 76 + HB2 LYS 75 OK 87 100 - 87 - 4.6=73, 3975/3.0=21...(12) H ARG 70 + HB2 LYS 75 OK 34 99 - 34 - 5390/4.0=6, 3975/3.0=6...(10) H VAL 76 + HB2 LYS 73 OK 29 77 - 38 - 5431/3.0=8, 340=7...(13) H ARG 69 - HB2 LYS 75 OK 26 76 - 35 - 940/4.6=5, 5825/4.0=5...(11) H VAL 76 - HB2 LYS 39 OK 26 87 - 30 - 3.6/3068=6, 340=6...(9) H ARG 70 - HB2 LYS 73 OK 22 74 - 30 - 295/4.0=4, 297/1.8=4...(11) H LEU 29 - HB2 LYS 75 OK 14 99 - 15 - 3975/3.0=2, 908/4.6=2...(5) H ARG 69 - HB2 LYS 73 OK 12 51 - 24 - 760/1.8=3, 3.6/5973=2...(10) H LEU 29 - HB2 LYS 73 OK 12 73 - 16 - 545/3.0=3, 908/4.0=3, 5534/2.9=2 H LYS 32 - HB2 LYS 73 poor 9 59 - 16 - 4205/3.0=3, 3.0/5061=2...(7) H ALA 63 - HB2 LYS 39 poor 9 70 - 12 - 4.7/1842=2, 4690/3.0=2...(4) H ARG 69 - HB2 LYS 39 poor 8 60 - 14 - 760/1.8=2, 4.1/5111=1...(6) H ARG 70 - HB2 LYS 39 lone 8 85 - 10 - 297/1.8=2, 298/2.9=1 H LYS 32 - HB2 LYS 75 lone 7 85 - 8 - 3975/3.0=1 H LEU 29 - HB2 LYS 39 lone 7 84 - 8 - H ALA 30 - HB2 LYS 75 lone 6 76 - 8 - 79/4.6=1, 3975/3.0=1 H ALA 63 - HB2 LYS 73 lone 5 60 - 9 - 726/2.9=2 H LYS 32 - HB2 LYS 39 lone 4 68 - 7 - H ALA 63 - HB2 LYS 75 lone 4 87 - 5 - H ALA 30 - HB2 LYS 73 lone 3 51 - 6 - 80/3.0=1 H ALA 30 - HB2 LYS 39 lone 3 60 - 4 - H ASP 67 - HB2 LYS 75 lone 2 60 - 4 - H ASP 67 - HB2 LYS 39 lone 2 46 - 4 - 4737/3.0=1 H ASP 67 - HB2 LYS 73 lone 1 39 - 4 - Peak 3977 from cnoeabs.peaks (7.96, 1.79, 32.59 ppm; 3.98 A): 4 out of 48 assignments used, quality = 0.95: * H VAL 76 + HB3 LYS 75 OK 83 100 - 83 - 4.6=64, 3975/3.0=19...(11) H ARG 70 + HB3 LYS 75 OK 38 99 - 39 - 297=6, 5390/4.0=6...(12) H VAL 76 + HB3 LYS 73 OK 33 93 - 36 - 5431/3.0=7, 340/1.8=6...(12) H ARG 70 + HB3 LYS 73 OK 31 90 - 35 - 295/4.0=4, ~5061=4...(14) H ARG 69 - HB3 LYS 75 OK 28 76 - 38 - 940/4.6=5, 760=5...(14) H VAL 76 - HB3 LYS 39 OK 24 93 - 26 - 340/1.8=5, 3.6/3069=4...(8) H ARG 70 - HB2 LYS 85 OK 20 89 - 22 - 5390/4.0=4, 297=3...(9) H ARG 69 - HB3 LYS 73 OK 18 65 - 28 - 760/1.8=3, 760=3...(13) H LEU 29 - HB3 LYS 73 OK 15 89 - 17 - 545/3.0=3, 908/4.0=3, 5534/2.9=2 H VAL 76 - HB2 LYS 85 OK 14 92 - 15 - 3.6/3069=3, 341=2...(5) H LEU 29 - HB3 LYS 75 OK 13 99 - 13 - 3975/3.0=2, 908/4.6=2...(5) H LYS 32 - HB3 LYS 73 OK 12 74 - 16 - 4205/3.0=3, ~5061=2...(8) H ARG 70 - HB2 LYS 13 OK 11 89 - 13 - 297=2, 3.6/2786=2...(5) H ARG 69 - HB2 LYS 85 OK 11 64 - 17 - 760=2, 5825/4.0=2...(8) H ARG 69 - HB2 LYS 13 OK 11 63 - 17 - ~4819=3, 2.9/2786=2...(6) H ARG 70 - HB3 LYS 39 OK 11 91 - 12 - 297=2, 3.6/2786=1...(4) H VAL 76 - HB2 LYS 83 OK 10 99 - 10 - 341=2, 339/3.0=2...(4) H LEU 29 - HB2 LYS 13 OK 10 88 - 12 - 548/1.8=2, 5534/3.0=2...(4) H ARG 69 - HB3 LYS 39 OK 10 66 - 15 - 3.6/4748=2, 2.9/2786=2...(5) H ALA 30 - HB2 LYS 13 poor 10 63 - 15 - 83/1.8=2, 553/3.0=2...(6) H LEU 29 - HB2 LYS 83 lone 10 97 - 10 - 76/4.3=4, 546/1.8=2 H VAL 76 - HB2 LYS 13 poor 10 91 - 11 - 3.6/3069=3, 341=2, 4.6/804=1 H ARG 70 - HB2 LYS 83 lone 9 98 - 9 - 770/1.8=1, 907/4.3=1, 297=1 H LEU 29 - HB2 LYS 85 poor 9 89 - 10 - 546/1.8=2, 5534/2.9=1 H ALA 63 - HB3 LYS 39 poor 8 76 - 11 - 4690/3.0=2, 4.7/1852=2...(4) H ALA 63 - HB3 LYS 73 lone 7 76 - 9 - 726/2.9=2 H LYS 32 - HB3 LYS 75 lone 7 85 - 8 - 3975/3.0=1 H ALA 30 - HB3 LYS 75 lone 6 76 - 7 - 79/4.6=1, 3975/3.0=1 H LEU 29 - HB3 LYS 39 lone 6 90 - 6 - H ARG 69 - HB2 LYS 83 lone 5 74 - 6 - H ALA 30 - HB2 LYS 85 lone 5 64 - 7 - 81/1.8=2 H ALA 30 - HB2 LYS 83 lone 5 74 - 6 - 5538/4.3=2, 81/1.8=1 H LYS 32 - HB2 LYS 13 lone 5 72 - 6 - 5541/3.0=1 H LYS 32 - HB3 LYS 39 lone 4 74 - 6 - H ALA 30 - HB3 LYS 73 lone 4 65 - 6 - 80/3.0=1 H ALA 63 - HB3 LYS 75 lone 4 87 - 4 - H LYS 32 - HB2 LYS 85 lone 3 73 - 4 - H ALA 30 - HB3 LYS 39 lone 3 66 - 4 - H ASP 67 - HB3 LYS 75 lone 2 60 - 4 - H ALA 63 - HB2 LYS 83 lone 2 85 - 2 - H ALA 63 - HB2 LYS 13 lone 2 74 - 3 - H ASP 67 - HB3 LYS 39 lone 2 51 - 4 - H LYS 32 - HB2 LYS 83 lone 2 83 - 2 - H ASP 67 - HB3 LYS 73 lone 2 50 - 4 - H ALA 63 - HB2 LYS 85 lone 2 75 - 3 - H ASP 67 - HB2 LYS 13 lone 2 49 - 4 - 5807/4.8=1 H ASP 67 - HB2 LYS 83 lone 2 58 - 3 - H ASP 67 - HB2 LYS 85 lone 1 50 - 3 - Peak 3984 from cnoeabs.peaks (8.23, 3.97, 62.83 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.96: * H ALA 77 + HA VAL 76 OK 96 100 - 96 - 3.6=92, 5411/3.0=13...(13) H GLN 79 - HA VAL 76 OK 39 97 - 40 - 4.0/16044=16, 5.1/5852=5...(13) H ALA 28 - HA VAL 76 OK 21 95 - 23 - 542=4, 5411/3.0=4...(8) H ARG 84 - HA VAL 76 lone 6 65 - 10 - 542=1, 5411/3.0=1 H SER 22 - HA VAL 76 lone 4 92 - 5 - H GLU 25 - HA VAL 76 lone 3 71 - 4 - H THR 15 - HA VAL 76 lone 3 78 - 3 - H ALA 12 - HA VAL 76 lone 2 95 - 3 - Peak 3985 from cnoeabs.peaks (8.23, 2.04, 32.56 ppm; 4.61 A): 1 out of 24 assignments used, quality = 1.00: * H ALA 77 + HB VAL 76 OK 100 100 - 100 - 4.4=100 H ALA 28 - HB3 MET 31 OK 32 57 - 56 - 6117/3.0=17, ~5530=11...(13) H GLN 79 - HB VAL 76 OK 32 97 - 33 - 3984/3.0=9, 3.0/5432=6...(8) H ALA 28 - HB VAL 76 OK 25 95 - 26 - 5411/4.0=5, 3984/3.0=5...(9) H SER 22 - HB3 MET 31 poor 10 54 - 18 - 4152=4, 6117/3.0=4...(8) H SER 22 - HB VAL 76 poor 10 92 - 10 - 4152=2, 5411/4.0=1...(4) H ALA 77 - HB3 MET 31 poor 9 65 - 14 - 6117/3.0=5, 3.6/3158=2...(5) H ARG 84 - HB VAL 76 poor 7 65 - 11 - 5411/4.0=2, 3984/3.0=2...(4) H ALA 77 - HB VAL 90 lone 5 68 - 8 - 350=1, 352/2.1=1, 352/2.1=1 H GLU 25 - HB VAL 76 lone 5 71 - 7 - H THR 15 - HB VAL 76 lone 4 78 - 5 - H ALA 12 - HB VAL 76 lone 3 95 - 3 - H ALA 28 - HB VAL 90 lone 3 60 - 5 - 5347/3.0=1 H GLN 79 - HB3 MET 31 lone 3 60 - 4 - 6117/3.0=1 H GLU 25 - HB3 MET 31 lone 3 39 - 7 - ~6118=1 H ALA 12 - HB VAL 90 lone 2 60 - 4 - H GLN 79 - HB VAL 90 lone 2 63 - 3 - H ALA 12 - HB3 MET 31 lone 2 57 - 3 - 6117/3.0=1 H GLU 25 - HB VAL 90 lone 2 41 - 4 - H THR 15 - HB3 MET 31 lone 1 44 - 3 - H ARG 84 - HB3 MET 31 lone 1 35 - 3 - H ARG 84 - HB VAL 90 lone 1 37 - 3 - H SER 22 - HB VAL 90 lone 1 57 - 2 - H THR 15 - HB VAL 90 lone 1 46 - 2 - Peak 3986 from cnoeabs.peaks (8.23, 0.92, 20.62 ppm; 4.81 A): 2 out of 32 assignments used, quality = 1.00: * H ALA 77 + QG1 VAL 76 OK 100 100 - 100 - 4.3=100 H ALA 77 + QG2 VAL 76 OK 100 100 - 100 - 4.3=100 H GLN 79 - QG1 VAL 76 OK 44 97 - 45 - 3984/3.2=9, 4.6/5861=8...(12) H GLN 79 - QG2 VAL 76 OK 43 97 - 45 - 3984/3.2=9, 4.6/5861=8...(12) H ALA 28 - QG1 VAL 76 OK 25 95 - 26 - 5411/3.9=6, 3984/3.2=5...(10) H ALA 28 - QG2 VAL 76 OK 25 94 - 26 - 5411/3.9=6, 3984/3.2=5...(9) H ALA 77 - QG1 VAL 90 poor 8 78 - 10 - 351=1, 3.6/3160=1...(4) H ALA 77 - QG2 VAL 90 lone 8 76 - 10 - 351=1, 351/2.1=1...(4) H ARG 84 - QG1 VAL 76 poor 8 65 - 12 - 5411/3.9=2, 3984/3.2=2...(5) H ARG 84 - QG2 VAL 76 poor 8 65 - 12 - 5411/3.9=2, 3984/3.2=2...(5) H SER 22 - QG1 VAL 76 lone 7 92 - 8 - 4152/2.1=2, 5411/3.9=1 H SER 22 - QG2 VAL 76 lone 7 91 - 8 - 4152/2.1=2, 5411/3.9=1 H GLU 25 - QG1 VAL 76 lone 5 71 - 7 - H GLU 25 - QG2 VAL 76 lone 5 70 - 7 - H GLN 79 - QG1 VAL 90 lone 4 73 - 6 - 4.6/5861=1 H GLN 79 - QG2 VAL 90 lone 4 71 - 6 - H ALA 28 - QG1 VAL 90 lone 4 69 - 6 - 5347/3.2=1 H ALA 28 - QG2 VAL 90 lone 4 67 - 6 - 5347/3.2=1 H THR 15 - QG1 VAL 76 lone 4 78 - 5 - H THR 15 - QG2 VAL 76 lone 4 77 - 5 - H ALA 12 - QG1 VAL 76 lone 4 95 - 4 - H ALA 12 - QG2 VAL 76 lone 4 94 - 4 - H GLU 25 - QG1 VAL 90 lone 3 48 - 5 - H GLU 25 - QG2 VAL 90 lone 2 46 - 5 - H ALA 12 - QG1 VAL 90 lone 2 69 - 3 - 4811/2.1=1 H ALA 12 - QG2 VAL 90 lone 2 67 - 3 - 4811/2.1=1 H ARG 84 - QG1 VAL 90 lone 2 44 - 4 - H ARG 84 - QG2 VAL 90 lone 2 42 - 4 - H SER 22 - QG1 VAL 90 lone 1 66 - 2 - H SER 22 - QG2 VAL 90 lone 1 64 - 2 - H THR 15 - QG1 VAL 90 lone 1 54 - 2 - H THR 15 - QG2 VAL 90 lone 1 52 - 2 - Peak 3987 from cnoeabs.peaks (8.23, 0.92, 20.67 ppm; 4.81 A): 2 out of 32 assignments used, quality = 1.00: * H ALA 77 + QG2 VAL 76 OK 100 100 - 100 - 4.3=100 H ALA 77 + QG1 VAL 76 OK 100 100 - 100 - 4.3=100 H GLN 79 - QG2 VAL 76 OK 44 97 - 45 - 3984/3.2=9, 4.6/5861=8...(12) H GLN 79 - QG1 VAL 76 OK 43 97 - 45 - 3984/3.2=9, 4.6/5861=8...(12) H ALA 28 - QG2 VAL 76 OK 25 95 - 26 - 5411/3.9=6, 3984/3.2=5...(9) H ALA 28 - QG1 VAL 76 OK 25 94 - 26 - 5411/3.9=6, 3984/3.2=5...(10) H ARG 84 - QG2 VAL 76 poor 8 65 - 12 - 5411/3.9=2, 3984/3.2=2...(5) H ALA 77 - QG1 VAL 90 poor 8 74 - 10 - 352=1, 3.6/3160=1...(4) H ARG 84 - QG1 VAL 76 poor 8 65 - 12 - 5411/3.9=2, 3984/3.2=2...(5) H ALA 77 - QG2 VAL 90 lone 7 72 - 10 - 351=1, 351/2.1=1...(4) H SER 22 - QG2 VAL 76 lone 7 92 - 8 - 4152/2.1=2, 5411/3.9=1 H SER 22 - QG1 VAL 76 lone 7 91 - 8 - 4152/2.1=2, 5411/3.9=1 H GLU 25 - QG2 VAL 76 lone 5 71 - 7 - H GLU 25 - QG1 VAL 76 lone 5 70 - 7 - H GLN 79 - QG1 VAL 90 lone 4 69 - 6 - 4.6/5861=1 H GLN 79 - QG2 VAL 90 lone 4 67 - 6 - H ALA 28 - QG1 VAL 90 lone 4 66 - 6 - 5347/3.2=1 H THR 15 - QG2 VAL 76 lone 4 78 - 5 - H THR 15 - QG1 VAL 76 lone 4 77 - 5 - H ALA 12 - QG2 VAL 76 lone 4 95 - 4 - H ALA 28 - QG2 VAL 90 lone 4 63 - 6 - 5347/3.2=1 H ALA 12 - QG1 VAL 76 lone 4 94 - 4 - H GLU 25 - QG1 VAL 90 lone 2 45 - 5 - H ALA 12 - QG1 VAL 90 lone 2 66 - 3 - 4811/2.1=1 H GLU 25 - QG2 VAL 90 lone 2 44 - 5 - H ALA 12 - QG2 VAL 90 lone 2 63 - 3 - 4811/2.1=1 H ARG 84 - QG1 VAL 90 lone 1 41 - 4 - H ARG 84 - QG2 VAL 90 lone 1 40 - 4 - H SER 22 - QG1 VAL 90 lone 1 63 - 2 - H SER 22 - QG2 VAL 90 lone 1 61 - 2 - H THR 15 - QG1 VAL 90 lone 1 51 - 2 - H THR 15 - QG2 VAL 90 lone 1 49 - 2 - Peak 3988 from cnoeabs.peaks (8.15, 4.23, 52.70 ppm; 3.57 A): 2 out of 18 assignments used, quality = 1.00: * H ALA 78 + HA ALA 77 OK 100 100 - 100 - 3.6=100 H ALA 78 + HA ALA 78 OK 54 54 - 100 - 2.9=100 H ASN 74 - HA ALA 77 OK 35 100 - 35 - ~16041=14, 5858/3.0=5...(7) H ASN 74 - HA ALA 78 lone 5 54 - 9 - 3989/4.9=2, ~6040=2, 3185/2.1=2 H LEU 57 - HA ALA 77 lone 2 100 - 2 - H ALA 78 - HA ALA 20 lone 2 51 - 4 - H THR 88 - HA ALA 20 lone 2 40 - 5 - 5900/3.0=2 H ARG 26 - HA ALA 77 lone 2 89 - 2 - H THR 88 - HA ALA 77 lone 1 89 - 1 - H ASN 74 - HA ALA 20 lone 1 51 - 2 - H ILE 89 - HA ALA 77 lone 1 71 - 1 - H ARG 26 - HA ALA 78 lone 1 43 - 1 - H LEU 57 - HA ALA 78 lone 1 54 - 1 - H THR 88 - HA ALA 78 lone 0 43 - 1 - H LEU 57 - HA ALA 20 lone 0 51 - 1 - H ARG 26 - HA ALA 20 lone 0 40 - 1 - H ILE 89 - HA ALA 78 lone 0 32 - 1 - H ILE 89 - HA ALA 20 lone 0 30 - 1 - Peak 3989 from cnoeabs.peaks (8.15, 1.38, 18.78 ppm; 3.62 A): 3 out of 24 assignments used, quality = 1.00: * H ALA 78 + QB ALA 77 OK 100 100 - 100 - 3.6=100 H ALA 78 + QB ALA 78 OK 92 92 - 100 - 2.9=100 H ASN 74 + QB ALA 77 OK 48 100 - 48 - 3.0/16041=28, 3988/2.1=6...(8) H ASN 74 - QB ALA 78 OK 13 91 - 14 - 3.0/6040=4, 327/4.6=2...(4) H THR 88 - QB ALA 20 lone 6 88 - 7 - 5900/2.9=2, 872/4.5=2, 872/2.1=1 H ALA 78 - QB ALA 20 lone 6 100 - 5 - H ARG 26 - QB ALA 77 lone 4 89 - 4 - H LEU 57 - QB ALA 77 lone 3 100 - 3 - H ASN 74 - QB ALA 20 lone 3 100 - 3 - H ARG 26 - QB ALA 20 lone 2 88 - 2 - H ARG 26 - QB ALA 78 lone 2 77 - 2 - H ARG 26 - QB ALA 16 lone 1 50 - 3 - H THR 88 - QB ALA 77 lone 1 89 - 2 - H THR 88 - QB ALA 16 lone 1 50 - 3 - H ALA 78 - QB ALA 16 lone 1 63 - 2 - H LEU 57 - QB ALA 78 lone 1 92 - 1 - H ILE 89 - QB ALA 20 lone 1 70 - 1 - H THR 88 - QB ALA 78 lone 1 77 - 1 - H LEU 57 - QB ALA 20 lone 1 100 - 1 - H ASN 74 - QB ALA 16 lone 1 63 - 1 - H ILE 89 - QB ALA 77 lone 1 71 - 1 - H ILE 89 - QB ALA 78 lone 1 60 - 1 - H ILE 89 - QB ALA 16 lone 1 38 - 2 - H LEU 57 - QB ALA 16 lone 0 63 - 1 - Peak 3990 from cnoeabs.peaks (8.22, 4.21, 52.88 ppm; 3.79 A): 3 out of 16 assignments used, quality = 1.00: * H GLN 79 + HA ALA 78 OK 100 100 - 100 - 3.6=100 H ALA 77 + HA ALA 77 OK 53 53 - 100 - 3.0=100 H ALA 77 + HA ALA 78 OK 52 98 - 54 - 5857/2.9=13, 818/2.1=7...(19) H GLN 79 - HA ALA 77 OK 16 57 - 28 - 5857/3.6=10, 358/2.1=6...(7) H ALA 28 - HA ALA 77 lone 3 56 - 6 - ~1470=1 H GLU 25 - HA ALA 78 lone 3 90 - 3 - 904/2.9=1 H ARG 84 - HA ALA 78 lone 3 87 - 3 - H ALA 28 - HA ALA 78 lone 3 100 - 3 - H THR 15 - HA ALA 77 lone 2 49 - 3 - H SER 22 - HA ALA 78 lone 2 99 - 2 - H THR 15 - HA ALA 78 lone 2 95 - 2 - H GLU 25 - HA ALA 77 lone 1 46 - 3 - H SER 22 - HA ALA 77 lone 1 55 - 2 - H ARG 84 - HA ALA 77 lone 1 43 - 3 - H ALA 12 - HA ALA 78 lone 1 78 - 1 - H ALA 12 - HA ALA 77 lone 1 38 - 2 - Peak 3992 from cnoeabs.peaks (8.04, 4.18, 56.27 ppm; 4.20 A): 1 out of 12 assignments used, quality = 1.00: * H ARG 82 + HA ARG 82 OK 100 100 - 100 - 3.0=100 H TYR 81 - HA ARG 82 OK 27 100 - 27 - ~5474=13, 4.5/4675=6...(6) H ARG 82 - HA GLN 79 OK 20 76 - 26 - 5473=6, 4.3/5868=5...(6) H ARG 82 - HA ARG 84 OK 16 81 - 20 - 5473=4, 4.0/3235=2...(7) H TYR 81 - HA GLN 79 OK 16 76 - 21 - 4.5/5868=5, 5882=5...(6) H TYR 81 - HA ARG 84 OK 15 81 - 19 - 5882=2, ~6058=2, ~6059=2...(9) H ARG 82 - HA LYS 73 OK 12 57 - 22 - 5473=5, 4.3/4675=2...(6) H TYR 81 - HA LYS 73 poor 7 57 - 12 - 4.5/4675=2, 4.6/5473=2...(6) H GLN 91 - HA ARG 82 lone 2 92 - 2 - H GLN 91 - HA LYS 73 lone 2 48 - 5 - 4.6/412=2 H GLN 91 - HA ARG 84 lone 2 69 - 3 - 4.6/412=1 H GLN 91 - HA GLN 79 lone 2 64 - 2 - Peak 3999 from cnoeabs.peaks (8.20, 4.24, 56.21 ppm; 5.03 A): 1 out of 27 assignments used, quality = 1.00: * H ARG 84 + HA LYS 83 OK 100 100 - 100 - 3.6=100 H ARG 84 - HA LYS 85 OK 31 73 - 43 - ~377=13, 367=5...(16) H GLU 25 - HA GLU 19 OK 17 92 - 18 - 50/3.0=5, 523/3.9=3...(5) H THR 15 - HA LYS 83 OK 15 100 - 15 - 477=3, 3.9/1137=2...(5) H GLN 79 - HA LYS 83 OK 12 89 - 14 - 4.6/6154=6, ~359=1 H SER 22 - HA GLU 19 OK 10 84 - 12 - 4.5/33=2, ~5501=2...(5) H THR 15 - HA GLU 19 lone 8 91 - 8 - 477=2 H ALA 77 - HA LYS 83 poor 8 65 - 11 - 4.5/339=2, 3.6/5856=1 H ARG 84 - HA GLU 19 lone 7 92 - 8 - 4.6/831=2 H GLU 25 - HA LYS 83 lone 7 100 - 7 - 50/2.9=2, 5511/3.7=1 H ILE 89 - HA LYS 85 poor 7 43 - 16 - ~6062=2, 877/3.0=2...(6) H ALA 28 - HA GLU 19 lone 6 82 - 7 - H SER 22 - HA LYS 83 lone 6 96 - 6 - ~5501=2 H THR 15 - HA LYS 85 lone 6 72 - 8 - 477=2, 4.0/1133=1 H GLN 79 - HA LYS 85 lone 6 59 - 9 - 4.6/6154=3 H ALA 28 - HA LYS 83 lone 6 93 - 6 - H ALA 77 - HA LYS 85 poor 5 41 - 12 - 4.5/339=2, 3.6/5856=1, 817=1 H ILE 89 - HA LYS 83 lone 5 68 - 7 - 876/4.7=2 H ARG 27 - HA GLU 19 lone 4 69 - 6 - H ALA 77 - HA GLU 19 lone 4 55 - 7 - H GLU 25 - HA LYS 85 lone 4 73 - 5 - H ARG 27 - HA LYS 83 lone 3 81 - 4 - H ILE 89 - HA GLU 19 lone 3 57 - 5 - 4.6/872=1 H ARG 27 - HA LYS 85 lone 3 52 - 6 - 5380/2.9=1 H ALA 28 - HA LYS 85 lone 3 63 - 4 - H GLN 79 - HA GLU 19 lone 3 77 - 3 - H SER 22 - HA LYS 85 lone 2 66 - 3 - Peak 4008 from cnoeabs.peaks (8.11, 4.18, 56.53 ppm; 4.05 A): 1 out of 20 assignments used, quality = 1.00: * H LYS 85 + HA ARG 84 OK 100 100 - 100 - 3.6=100 H LYS 75 - HA LYS 73 OK 28 86 - 33 - 4.6/5431=5, 803/3.0=4...(14) H LYS 85 - HA LYS 73 OK 27 96 - 29 - 377=6, 4.0/6062=4...(12) H ARG 71 - HA LYS 73 OK 22 96 - 23 - 942/3.0=7, 4.7/2958=2...(8) H ARG 71 - HA LEU 29 OK 16 64 - 25 - 303/3.0=4, 307/3.0=4...(9) H ARG 71 - HA ARG 84 OK 10 100 - 10 - 307/3.0=1 H LYS 75 - HA ARG 84 OK 10 93 - 11 - 4.6/5431=2, 377=1, 4.6/323=1 H LYS 85 - HA LEU 29 poor 9 64 - 14 - 377=2, 4.6/3376=2...(6) H LYS 85 - HA ARG 82 lone 7 80 - 8 - 377=2, 4.0/6062=1, 4.6/841=1 H ARG 26 - HA LEU 29 poor 6 37 - 17 - 5516/4.0=3, ~5348=2...(7) H LYS 75 - HA LEU 29 poor 6 55 - 11 - 4.6/5431=2, 5410/3.0=1 H ARG 26 - HA ARG 84 lone 4 68 - 6 - H ARG 71 - HA ARG 82 lone 3 80 - 4 - H LYS 75 - HA ARG 82 lone 3 70 - 4 - H THR 88 - HA LYS 73 lone 3 61 - 5 - 4.6/876=3 H ARG 26 - HA LYS 73 lone 3 61 - 5 - H THR 88 - HA ARG 84 lone 3 68 - 4 - 4.6/876=2 H THR 88 - HA LEU 29 lone 2 37 - 4 - 4.6/876=3 H ARG 26 - HA ARG 82 lone 1 47 - 2 - H THR 88 - HA ARG 82 lone 1 47 - 2 - Peak 4015 from cnoeabs.peaks (8.27, 4.23, 56.47 ppm; 3.72 A): 1 out of 15 assignments used, quality = 1.00: * H LEU 86 + HA LYS 85 OK 100 100 - 100 - 3.6=100 H LYS 13 - HA LYS 85 OK 14 99 - 15 - 5995/3.0=2, 468/3.0=2...(6) H ASN 80 - HA LYS 83 OK 14 57 - 24 - 6154=8, ~6056=7, ~6055=3...(7) H LEU 86 - HA LYS 83 OK 12 73 - 16 - 385=5, 5995/3.0=2...(8) H ASN 80 - HA LYS 85 OK 11 87 - 12 - 6154=4, ~6055=2...(5) H LYS 13 - HA LYS 83 lone 4 70 - 6 - 8=1 H VAL 90 - HA LYS 85 lone 4 100 - 4 - 5277/3.0=1 H LEU 86 - HA GLU 19 lone 2 54 - 4 - H VAL 90 - HA LYS 83 lone 2 73 - 3 - 412/4.7=1 H ALA 12 - HA LYS 85 lone 2 68 - 3 - H ALA 12 - HA LYS 83 lone 1 43 - 2 - H VAL 90 - HA GLU 19 lone 1 54 - 2 - H LYS 13 - HA GLU 19 lone 1 51 - 2 - H ALA 12 - HA GLU 19 lone 1 30 - 2 - H ASN 80 - HA GLU 19 lone 1 41 - 1 - Peak 4024 from cnoeabs.peaks (8.42, 4.30, 55.05 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 87 + HA LEU 86 OK 100 100 - 100 - 3.6=100 H GLY 18 - HA LEU 86 lone 6 83 - 8 - 4.7/22=1, 5898/3.0=1 H ILE 68 - HA LEU 86 lone 6 93 - 6 - 5898/3.0=1, 5818/3.0=1 H ALA 20 - HA LEU 86 lone 2 60 - 3 - Peak 4030 from cnoeabs.peaks (8.13, 4.32, 56.44 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * H THR 88 + HA GLU 87 OK 100 100 - 100 - 3.6=100 H ARG 26 - HA GLU 87 lone 7 100 - 7 - 5899/3.0=2 H LYS 85 - HA GLU 87 lone 6 68 - 9 - 4.7/859=4, 5899/3.0=3 H ARG 71 - HA GLU 87 lone 3 71 - 4 - 5899/3.0=2 H LEU 57 - HA GLU 87 lone 2 83 - 3 - H ALA 78 - HA GLU 87 lone 2 89 - 2 - H ASN 74 - HA GLU 87 lone 1 81 - 2 - Peak 4031 from cnoeabs.peaks (8.13, 2.03, 30.25 ppm; 5.85 A): 2 out of 21 assignments used, quality = 1.00: * H THR 88 + HB2 GLU 87 OK 100 100 - 100 - 4.6=100 H THR 88 + HB3 GLU 19 OK 51 89 - 58 - 3.6/3557=11, 5275=10...(13) H THR 88 - HB3 GLN 91 OK 19 91 - 21 - 3.6/3562=4, 5275=4...(7) H ARG 26 - HB3 GLU 19 OK 17 89 - 19 - 58/3.0=4, 58/3.0=4...(6) H ARG 26 - HB2 GLU 87 OK 14 100 - 14 - 5899/4.0=3, 4030/3.0=3...(4) H ARG 26 - HB3 GLN 91 OK 12 91 - 13 - 5345/3.0=4, 4.9/5926=1...(4) H LYS 85 - HB2 GLU 87 poor 8 68 - 12 - 5899/4.0=5, 4030/3.0=2 H ARG 71 - HB2 GLU 87 lone 6 71 - 8 - 5899/4.0=3, 4030/3.0=1 H ALA 78 - HB3 GLU 19 lone 5 74 - 7 - H LEU 57 - HB2 GLU 87 lone 5 83 - 6 - 5899/4.0=1 H ALA 78 - HB2 GLU 87 lone 5 89 - 5 - H ASN 74 - HB2 GLU 87 lone 4 81 - 4 - H LYS 85 - HB3 GLU 19 lone 4 55 - 6 - H ARG 71 - HB3 GLU 19 lone 3 57 - 5 - H LEU 57 - HB3 GLU 19 lone 3 68 - 4 - H ASN 74 - HB3 GLU 19 lone 3 66 - 4 - H ALA 78 - HB3 GLN 91 lone 2 75 - 3 - H LEU 57 - HB3 GLN 91 lone 2 69 - 3 - H ASN 74 - HB3 GLN 91 lone 2 67 - 3 - H ARG 71 - HB3 GLN 91 lone 2 58 - 3 - H LYS 85 - HB3 GLN 91 lone 2 56 - 3 - Peak 4032 from cnoeabs.peaks (8.13, 1.91, 30.25 ppm; 4.54 A): 3 out of 35 assignments used, quality = 0.99: * H THR 88 + HB3 GLU 87 OK 97 100 - 97 - 4.6=94, 402/3.0=36...(7) H ARG 26 + HB3 ARG 26 OK 48 48 - 100 - 3.9=100 H ARG 26 + HB2 ARG 26 OK 46 46 - 100 - 3.9=100 H THR 88 - HB2 GLU 19 OK 39 92 - 43 - 3.6/3568=8, 5901=7...(12) H ARG 71 - HB3 ARG 26 OK 13 28 - 46 - 1390/3.0=8, 775/3.0=6...(20) H THR 88 - HB2 GLN 91 OK 12 89 - 14 - 3.6/3558=3, 873/3.0=2...(5) H ARG 71 - HB2 ARG 26 OK 12 27 - 46 - 1390/3.0=8, 775/3.0=6...(19) H ARG 26 - HB2 GLU 19 OK 10 92 - 11 - 58/3.0=3, 58/3.0=3, 56/1.8=2 H ARG 26 - HB3 GLU 87 lone 8 100 - 8 - 4030/3.0=2, 5899/4.0=2 H ARG 26 - HB2 GLN 91 lone 7 89 - 8 - 5345/3.0=3, 56/1.8=1 H THR 88 - HB3 ARG 26 poor 7 48 - 13 - 5380/4.6=4, 1390/3.0=2...(4) H THR 88 - HB2 ARG 26 poor 6 46 - 13 - 5380/4.6=4, 1390/3.0=2...(4) H LYS 85 - HB3 GLU 87 lone 5 68 - 7 - 5899/4.0=3, 4030/3.0=2 H ARG 71 - HB3 GLU 87 lone 4 71 - 6 - 5899/4.0=2 H LEU 57 - HB3 GLU 87 lone 3 83 - 3 - H ALA 78 - HB2 GLU 19 lone 3 76 - 4 - H ALA 78 - HB3 GLU 87 lone 3 89 - 3 - H ASN 74 - HB3 ARG 26 lone 2 33 - 6 - 1358/3.0=1, 1390/3.0=1 H ARG 71 - HB2 GLU 19 lone 2 59 - 3 - H ASN 74 - HB3 GLU 87 lone 2 81 - 2 - H LYS 85 - HB2 GLU 19 lone 2 57 - 3 - H ASN 74 - HB2 ARG 26 lone 2 31 - 6 - 1358/3.0=1, 1390/3.0=1 H LEU 57 - HB2 GLU 19 lone 1 70 - 2 - H ASN 74 - HB2 GLU 19 lone 1 68 - 2 - H LEU 57 - HB3 ARG 26 lone 1 34 - 4 - H LEU 57 - HB2 ARG 26 lone 1 33 - 4 - H ALA 78 - HB2 GLN 91 lone 1 73 - 2 - H ARG 71 - HB2 GLN 91 lone 1 56 - 2 - H ASN 74 - HB2 GLN 91 lone 1 65 - 2 - H LEU 57 - HB2 GLN 91 lone 1 67 - 2 - H LYS 85 - HB3 ARG 26 lone 1 27 - 4 - H LYS 85 - HB2 ARG 26 lone 1 25 - 4 - H ALA 78 - HB3 ARG 26 lone 1 38 - 2 - H LYS 85 - HB2 GLN 91 lone 1 54 - 2 - H ALA 78 - HB2 ARG 26 lone 1 36 - 2 - Peak 4035 from cnoeabs.peaks (8.17, 4.28, 61.88 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 89 + HA THR 88 OK 100 100 - 100 - 3.5=100 H ARG 27 - HA THR 88 OK 24 100 - 25 - 5380/3.0=5, 3.0/3587=5...(7) H GLU 25 - HA THR 88 lone 5 63 - 8 - 5.0/5517=2, 4037/3.2=1 H ARG 84 - HA THR 88 lone 1 68 - 2 - H ASN 74 - HA THR 88 lone 1 81 - 2 - H ALA 78 - HA THR 88 lone 1 71 - 1 - H LEU 57 - HA THR 88 lone 1 78 - 1 - Peak 4037 from cnoeabs.peaks (8.17, 1.15, 21.44 ppm; 4.58 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 89 + QG2 THR 88 OK 100 100 - 100 - 3.9=100 H ARG 27 - QG2 THR 88 OK 26 100 - 26 - 4035/3.2=6, 3.0/3595=5...(6) H GLU 25 - QG2 THR 88 poor 8 63 - 13 - 5.0/5513=3, 5.0/4164=3...(6) H ASN 74 - QG2 THR 88 lone 2 81 - 3 - H ARG 84 - QG2 THR 88 lone 2 68 - 3 - H LEU 57 - QG2 THR 88 lone 1 78 - 2 - H ALA 78 - QG2 THR 88 lone 1 71 - 2 - Peak 4038 from cnoeabs.peaks (8.27, 4.17, 60.86 ppm; 3.31 A): 2 out of 5 assignments used, quality = 0.84: * H VAL 90 + HA ILE 89 OK 81 100 - 81 - 3.6=81 H LEU 86 + HA ILE 89 OK 18 100 - 18 - 4040/3.2=4, 5903/3.0=3...(8) H LYS 13 - HA ILE 89 lone 9 99 - 9 - 4040/3.2=2, 5903/3.0=2 H ASN 80 - HA ILE 89 lone 1 89 - 1 - H ALA 12 - HA ILE 89 lone 1 65 - 2 - Peak 4040 from cnoeabs.peaks (8.27, 0.84, 17.06 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 90 + QG2 ILE 89 OK 100 100 - 100 - 4.4=100 H LEU 86 + QG2 ILE 89 OK 47 100 - 47 - 5903/2.1=8, 5916=7...(15) H LYS 13 - QG2 ILE 89 OK 26 99 - 26 - 5903/2.1=5, 4038/3.2=3...(9) H ASN 80 - QG2 ILE 89 lone 2 89 - 3 - H ALA 12 - QG2 ILE 89 lone 2 65 - 4 - Peak 4044 from cnoeabs.peaks (8.03, 4.08, 62.21 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.75: * H GLN 91 + HA VAL 90 OK 75 100 - 75 - 3.6=74, 3.6/3641=1 H TYR 81 - HA VAL 90 lone 2 89 - 2 - H ARG 82 - HA VAL 90 lone 2 92 - 2 - Peak 4045 from cnoeabs.peaks (8.03, 2.02, 32.55 ppm; 5.07 A): 1 out of 9 assignments used, quality = 1.00: * H GLN 91 + HB VAL 90 OK 100 100 - 100 - 4.4=100 H GLN 91 - HB VAL 76 poor 7 68 - 10 - 3.6/3645=2, 4.6/3644=1...(5) H GLN 91 - HB3 MET 11 lone 6 65 - 9 - 3.6/3641=2, 420=1, 889/1.8=1 H TYR 81 - HB VAL 90 lone 4 89 - 5 - 4044/3.0=1 H ARG 82 - HB VAL 90 lone 4 92 - 4 - 4044/3.0=1 H ARG 82 - HB VAL 76 lone 3 57 - 5 - H TYR 81 - HB VAL 76 lone 2 54 - 5 - H TYR 81 - HB3 MET 11 lone 1 52 - 2 - H ARG 82 - HB3 MET 11 lone 1 54 - 2 - Peak 4046 from cnoeabs.peaks (8.03, 0.90, 20.53 ppm; 4.55 A): 2 out of 12 assignments used, quality = 1.00: * H GLN 91 + QG1 VAL 90 OK 100 100 - 100 - 4.1=100 H GLN 91 + QG2 VAL 90 OK 100 100 - 100 - 4.1=100 H GLN 91 - QG1 VAL 76 lone 7 78 - 8 - 4045/2.1=2, 421=1...(4) H GLN 91 - QG2 VAL 76 lone 6 74 - 8 - 4045/2.1=2, 421=1...(4) H TYR 81 - QG1 VAL 90 lone 4 89 - 4 - 4045/2.1=1 H ARG 82 - QG2 VAL 90 lone 4 92 - 4 - 4045/2.1=1 H ARG 82 - QG1 VAL 90 lone 4 92 - 4 - 4045/2.1=1 H TYR 81 - QG2 VAL 90 lone 4 89 - 4 - 4045/2.1=1 H TYR 81 - QG1 VAL 76 lone 3 63 - 5 - H ARG 82 - QG1 VAL 76 lone 3 66 - 4 - H TYR 81 - QG2 VAL 76 lone 3 60 - 4 - H ARG 82 - QG2 VAL 76 lone 3 63 - 4 - Peak 4047 from cnoeabs.peaks (8.03, 0.90, 20.53 ppm; 4.55 A): 2 out of 12 assignments used, quality = 1.00: * H GLN 91 + QG2 VAL 90 OK 100 100 - 100 - 4.1=100 H GLN 91 + QG1 VAL 90 OK 100 100 - 100 - 4.1=100 H GLN 91 - QG1 VAL 76 lone 6 76 - 8 - 4045/2.1=2, 421=1...(4) H GLN 91 - QG2 VAL 76 lone 6 72 - 8 - 4045/2.1=2, 421=1...(4) H TYR 81 - QG1 VAL 90 lone 4 89 - 4 - 4045/2.1=1 H ARG 82 - QG2 VAL 90 lone 4 92 - 4 - 4045/2.1=1 H ARG 82 - QG1 VAL 90 lone 4 92 - 4 - 4045/2.1=1 H TYR 81 - QG2 VAL 90 lone 4 89 - 4 - 4045/2.1=1 H TYR 81 - QG1 VAL 76 lone 3 61 - 4 - H ARG 82 - QG1 VAL 76 lone 3 64 - 4 - H TYR 81 - QG2 VAL 76 lone 3 58 - 4 - H ARG 82 - QG2 VAL 76 lone 2 61 - 4 - Peak 4149 from cnoeabs.peaks (1.36, 3.95, 45.26 ppm; 4.91 A): 2 out of 52 assignments used, quality = 1.00: QB ALA 20 + HA2 GLY 21 OK 93 93 - 100 - 4.8=100 QB ALA 20 + HA3 GLY 21 OK 93 93 - 100 - 4.8=100 QB ALA 77 - HA2 GLY 21 OK 24 96 - 25 - 34/2.9=4, 2.9/349=3...(12) QB ALA 77 - HA3 GLY 21 OK 24 96 - 25 - 34/2.9=4, 2.9/349=3...(12) HG3 ARG 69 - HA2 GLY 21 OK 15 95 - 16 - 34/2.9=2, 1.8/4776=1 HG3 ARG 69 - HA3 GLY 21 OK 15 94 - 16 - 34/2.9=2 QB ALA 20 - HA3 GLY 18 OK 13 58 - 23 - 2.1/5494=5, ~5494=4...(9) QB ALA 20 - HA2 GLY 18 OK 12 56 - 23 - 2.1/5494=5, ~5494=4...(9) QB ALA 28 - HA2 GLY 21 poor 10 71 - 13 - 2.9/3727=1, 1473/3.5=1 QB ALA 28 - HA3 GLY 21 poor 10 71 - 13 - 2.9/3727=1, 1473/3.5=1 HG2 LYS 75 - HA2 GLY 21 poor 7 68 - 10 - 34/2.9=1, 2.7/5496=1 HG3 LYS 75 - HA2 GLY 21 poor 7 68 - 10 - 34/2.9=1, 2.7/5496=1 HG2 LYS 75 - HA3 GLY 21 poor 7 68 - 10 - 34/2.9=1, 2.7/5496=1 HG3 LYS 75 - HA3 GLY 21 poor 7 68 - 10 - 34/2.9=1, 2.7/5496=1 QB ALA 16 - HA3 GLY 21 lone 5 100 - 5 - 34/2.9=1 QB ALA 16 - HA2 GLY 21 lone 5 100 - 5 - 34/2.9=1 QB ALA 78 - HA2 GLY 21 lone 5 73 - 6 - 4.6/6114=1, 34/2.9=1 QB ALA 78 - HA3 GLY 21 lone 5 73 - 6 - 4.6/6114=1, 34/2.9=1 HG3 LYS 73 - HA2 GLY 21 lone 4 73 - 6 - HG3 LYS 73 - HA3 GLY 21 lone 4 73 - 6 - QB ALA 16 - HA3 GLY 18 lone 3 66 - 5 - ~3716=2, 3717/3.0=1 HG2 LYS 83 - HA3 GLY 21 lone 3 100 - 3 - HG2 LYS 83 - HA2 GLY 21 lone 3 100 - 3 - QB ALA 16 - HA2 GLY 18 lone 3 64 - 5 - ~3716=2, 3717/3.0=1 QB ALA 77 - HA3 GLY 18 lone 3 60 - 5 - QB ALA 77 - HA2 GLY 18 lone 3 58 - 5 - HG2 LYS 85 - HA2 GLY 21 lone 3 93 - 3 - HG2 LYS 85 - HA3 GLY 21 lone 3 93 - 3 - QB ALA 53 - HA2 GLY 21 lone 3 60 - 4 - QB ALA 53 - HA3 GLY 21 lone 3 60 - 4 - HB2 LEU 52 - HA3 GLY 18 lone 2 35 - 7 - ~4547=1, ~4957=1 HB2 LEU 52 - HA2 GLY 21 lone 2 63 - 4 - HB2 LEU 52 - HA3 GLY 21 lone 2 63 - 4 - HB2 LEU 52 - HA2 GLY 18 lone 2 34 - 7 - ~4547=1, ~4957=1 HG3 ARG 69 - HA3 GLY 18 lone 2 59 - 3 - HG3 ARG 69 - HA2 GLY 18 lone 2 57 - 3 - QB ALA 28 - HA3 GLY 18 lone 2 40 - 5 - QB ALA 28 - HA2 GLY 18 lone 2 39 - 5 - HG3 LYS 73 - HA3 GLY 18 lone 2 42 - 4 - HG2 LYS 83 - HA3 GLY 18 lone 1 66 - 2 - HG3 LYS 73 - HA2 GLY 18 lone 1 40 - 4 - HG2 LYS 83 - HA2 GLY 18 lone 1 64 - 2 - HG3 LYS 75 - HA3 GLY 18 lone 1 38 - 3 - HG2 LYS 75 - HA3 GLY 18 lone 1 38 - 3 - HG3 LYS 75 - HA2 GLY 18 lone 1 37 - 3 - HG2 LYS 75 - HA2 GLY 18 lone 1 37 - 3 - HG2 LYS 85 - HA3 GLY 18 lone 1 58 - 2 - QB ALA 78 - HA3 GLY 18 lone 1 42 - 2 - HG2 LYS 85 - HA2 GLY 18 lone 1 56 - 2 - QB ALA 78 - HA2 GLY 18 lone 1 40 - 2 - QB ALA 53 - HA3 GLY 18 lone 1 33 - 2 - QB ALA 53 - HA2 GLY 18 lone 0 32 - 2 - Peak 4150 from cnoeabs.peaks (1.76, 3.95, 45.26 ppm; 5.16 A): 13 out of 68 assignments used, quality = 0.90: HB ILE 33 + HA3 GLY 21 OK 27 99 - 27 - ~4211=3, 4229/1.8=3...(11) HB ILE 33 + HA2 GLY 21 OK 27 99 - 27 - ~4211=3, 4229/1.8=3...(11) HB2 LEU 62 + HA3 GLY 18 OK 20 56 - 35 - 2572/1.8=5, ~2593=3...(16) HB2 LEU 62 + HA2 GLY 18 OK 19 54 - 35 - 2572/1.8=5, ~2593=3...(16) HB2 LEU 62 + HA2 GLY 21 OK 15 92 - 16 - ~4674=3, 4.0/247=2, 2572/1.8=1 HB2 LEU 62 + HA3 GLY 21 OK 15 92 - 16 - ~4674=3, 4.0/247=1, 2572/1.8=1 HB2 LEU 57 + HA2 GLY 21 OK 13 100 - 13 - 4981=2, 4981/1.8=2...(4) HB2 LEU 57 + HA3 GLY 21 OK 13 100 - 13 - 4981=2, 4981/1.8=2...(4) HB3 ARG 17 + HA3 GLY 21 OK 12 87 - 14 - 2.9/5495=1, 2.9/5495=1...(4) HB3 ARG 17 + HA2 GLY 21 OK 12 87 - 14 - 2.9/5495=1, 2.9/5495=1...(4) HB ILE 33 + HA3 GLY 18 OK 11 65 - 16 - 4229/1.8=2, 4229=2...(7) HB ILE 33 + HA2 GLY 18 OK 10 62 - 16 - 4229/1.8=2, 4229=2...(7) HB3 LYS 39 + HA3 GLY 21 OK 10 81 - 12 - 4.4/4308=2, 1.8/5496=2...(5) HB3 LYS 39 - HA2 GLY 21 poor 10 81 - 12 - 4.4/4308=2, 1.8/5496=2...(5) HB3 LYS 32 - HA2 GLY 21 lone 10 96 - 10 - HB2 LYS 32 - HA2 GLY 21 lone 10 96 - 10 - HB3 LYS 32 - HA3 GLY 21 lone 10 96 - 10 - HB2 LYS 32 - HA3 GLY 21 lone 10 96 - 10 - HG3 ARG 26 - HA3 GLY 21 lone 9 94 - 10 - 1.8/5495=1 HB2 LEU 57 - HA3 GLY 18 poor 9 66 - 14 - 4981=2, 4981/1.8=2...(6) HG3 ARG 26 - HA2 GLY 21 lone 9 95 - 10 - 1.8/5495=1 HG3 ARG 71 - HA3 GLY 21 lone 9 97 - 9 - 1.8/5495=1 HG3 ARG 71 - HA2 GLY 21 lone 9 97 - 9 - 1.8/5495=1 HB3 LYS 75 - HA2 GLY 21 poor 9 68 - 13 - 1.8/5496=1, 4.0/5851=1...(4) HB3 LYS 75 - HA3 GLY 21 poor 9 68 - 13 - 1.8/5496=1, 4.0/5851=1...(4) HG3 ARG 71 - HA3 GLY 18 poor 9 62 - 14 - 4827/3.0=3, ~4826=2...(4) HB2 LEU 57 - HA2 GLY 18 poor 9 64 - 13 - 4981=2, 4981/1.8=2...(6) HG3 ARG 71 - HA2 GLY 18 poor 8 60 - 14 - 4827/3.0=3, ~4826=2...(4) HB3 LYS 73 - HA2 GLY 21 lone 6 90 - 6 - HB3 LYS 73 - HA3 GLY 21 lone 6 90 - 6 - HG2 PRO 34 - HA3 GLY 21 lone 5 100 - 5 - HG2 PRO 34 - HA2 GLY 21 lone 5 100 - 5 - HG3 ARG 26 - HA3 GLY 18 lone 5 59 - 9 - 4827/3.0=2 HG3 ARG 26 - HA2 GLY 18 lone 5 57 - 9 - 4827/3.0=2 HB3 LYS 39 - HA3 GLY 18 lone 4 47 - 9 - 4.4/4308=2, 4.0/5605=1 HB3 LYS 39 - HA2 GLY 18 lone 4 45 - 9 - 4.4/4308=2, 4.0/5605=1 HB2 LYS 83 - HA2 GLY 21 lone 4 83 - 5 - HB2 LYS 83 - HA3 GLY 21 lone 4 83 - 5 - HB2 PRO 34 - HA2 GLY 21 lone 4 87 - 5 - HB2 PRO 34 - HA3 GLY 21 lone 4 87 - 5 - HG2 PRO 34 - HA3 GLY 18 lone 4 67 - 5 - HB2 ARG 54 - HA2 GLY 21 lone 3 100 - 3 - HB2 ARG 54 - HA3 GLY 21 lone 3 100 - 3 - HG2 PRO 34 - HA2 GLY 18 lone 3 65 - 5 - HB3 ARG 82 - HA3 GLY 21 lone 3 100 - 3 - HB3 ARG 82 - HA2 GLY 21 lone 3 100 - 3 - HB2 ARG 54 - HA3 GLY 18 lone 2 66 - 4 - HB2 LYS 32 - HA3 GLY 18 lone 2 60 - 4 - HB3 LYS 32 - HA3 GLY 18 lone 2 60 - 4 - HB2 ARG 54 - HA2 GLY 18 lone 2 64 - 4 - HB2 PRO 34 - HA3 GLY 18 lone 2 52 - 5 - HB2 LYS 32 - HA2 GLY 18 lone 2 58 - 4 - HB3 LYS 32 - HA2 GLY 18 lone 2 58 - 4 - HB3 LYS 73 - HA3 GLY 18 lone 2 55 - 4 - HB2 PRO 34 - HA2 GLY 18 lone 2 50 - 4 - HB3 LYS 73 - HA2 GLY 18 lone 2 53 - 4 - HB2 LYS 83 - HA3 GLY 18 lone 2 49 - 4 - 3287/3.6=1 HB3 ARG 17 - HA3 GLY 18 lone 2 52 - 4 - HB2 LYS 83 - HA2 GLY 18 lone 2 47 - 4 - 3287/3.6=1 HB3 ARG 82 - HA3 GLY 18 lone 2 66 - 3 - HB3 ARG 17 - HA2 GLY 18 lone 2 50 - 4 - HB3 ARG 82 - HA2 GLY 18 lone 2 64 - 3 - HB2 LYS 13 - HA2 GLY 21 lone 2 63 - 3 - HB2 LYS 13 - HA3 GLY 21 lone 2 63 - 3 - HB3 LYS 75 - HA3 GLY 18 lone 2 38 - 4 - HB3 LYS 75 - HA2 GLY 18 lone 1 37 - 4 - HB2 LYS 13 - HA3 GLY 18 lone 1 35 - 2 - HB2 LYS 13 - HA2 GLY 18 lone 1 34 - 2 - Peak 4151 from cnoeabs.peaks (2.05, 3.95, 45.26 ppm; 4.69 A): 16 out of 60 assignments used, quality = 0.92: HB3 GLU 25 + HA3 GLY 21 OK 18 100 - 18 - 4152/3.5=7, 3.0/5284=4, ~5284=3 HB3 GLU 25 + HA2 GLY 21 OK 18 100 - 18 - 4152/3.5=7, 3.0/5284=4, ~5284=3 HB2 GLU 25 + HA3 GLY 21 OK 18 100 - 18 - 4152/3.5=7, 3.0/5284=4, ~5284=3 HB2 GLU 25 + HA2 GLY 21 OK 18 100 - 18 - 4152/3.5=7, 3.0/5284=4, ~5284=3 HB3 MET 31 + HA2 GLY 21 OK 18 89 - 20 - 4152/3.5=3, 1.8/4203=2...(10) HB3 MET 31 + HA3 GLY 21 OK 18 89 - 20 - 4152/3.5=3, 1.8/4203=2...(10) HB3 GLU 19 + HA3 GLY 18 OK 14 56 - 25 - 3.9/25=12, 3.0/4800=2...(8) HB3 GLU 19 + HA2 GLY 18 OK 14 54 - 25 - 3.9/25=12, 3.0/4800=2...(8) HB3 GLU 50 + HA2 GLY 21 OK 12 95 - 13 - 4152/3.5=2, 3.0/2198=1, ~5758=1 HB2 GLU 50 + HA2 GLY 21 OK 12 95 - 13 - 4152/3.5=2, 3.0/2198=1, ~5758=1 HB2 GLU 50 + HA3 GLY 21 OK 12 94 - 13 - 4152/3.5=2, 3.0/2198=1, ~5758=1 HB3 GLU 50 + HA3 GLY 21 OK 12 94 - 13 - 4152/3.5=2, 3.0/2198=1, ~5758=1 HB3 GLU 19 + HA3 GLY 21 OK 12 92 - 13 - 3.0/5284=2, 3.0/5284=2...(7) HB3 GLU 19 + HA2 GLY 21 OK 12 92 - 13 - 3.0/5284=2, 3.0/5284=2...(7) HB VAL 76 + HA2 GLY 21 OK 11 98 - 11 - 4.4/349=2, 4152/3.5=2 HB VAL 76 + HA3 GLY 21 OK 10 98 - 11 - 4.4/349=2, 4152/3.5=2 HD3 ARG 69 - HA2 GLY 21 lone 8 76 - 10 - 3.0/4149=1 HD2 ARG 69 - HA2 GLY 21 lone 8 76 - 10 - 3.0/4149=1 HD3 ARG 69 - HA3 GLY 21 lone 8 76 - 10 - 3.0/4149=1 HD2 ARG 69 - HA3 GLY 21 lone 8 76 - 10 - 3.0/4149=1 HG2 PRO 44 - HA2 GLY 21 lone 6 99 - 6 - 4152/3.5=2 HG2 PRO 44 - HA3 GLY 21 lone 6 99 - 6 - 4152/3.5=2 HB2 GLU 87 - HA3 GLY 18 poor 5 45 - 11 - 1218/3.6=7 HB2 GLU 87 - HA2 GLY 18 poor 5 44 - 11 - 1218/3.6=7 HB2 GLU 25 - HA3 GLY 18 lone 4 67 - 6 - 494/3.6=1 HB3 GLU 25 - HA3 GLY 18 lone 4 67 - 6 - 494/3.6=1 HB2 GLU 25 - HA2 GLY 18 lone 4 65 - 6 - 494/3.6=1 HB3 GLU 25 - HA2 GLY 18 lone 4 65 - 6 - 494/3.6=1 HB3 GLU 50 - HA3 GLY 18 lone 2 59 - 4 - 494/3.6=1 HB2 GLU 50 - HA3 GLY 18 lone 2 59 - 4 - 494/3.6=1 HB2 GLU 50 - HA2 GLY 18 lone 2 57 - 3 - 494/3.6=1 HB3 GLU 50 - HA2 GLY 18 lone 2 57 - 3 - 494/3.6=1 HB VAL 45 - HA3 GLY 21 lone 2 96 - 2 - HB VAL 45 - HA2 GLY 21 lone 2 96 - 2 - HB2 GLU 87 - HA2 GLY 21 lone 2 78 - 2 - HB2 GLU 87 - HA3 GLY 21 lone 2 78 - 2 - HB3 GLN 91 - HA2 GLY 21 lone 2 95 - 2 - HB3 GLN 91 - HA3 GLY 21 lone 2 94 - 2 - HB3 GLN 91 - HA3 GLY 18 lone 2 59 - 3 - 494/3.6=1 HG2 PRO 56 - HA2 GLY 21 lone 2 90 - 2 - HG2 PRO 56 - HA3 GLY 21 lone 2 90 - 2 - HB3 GLN 91 - HA2 GLY 18 lone 2 57 - 3 - 494/3.6=1 HG2 PRO 44 - HA3 GLY 18 lone 1 65 - 2 - HG2 PRO 44 - HA2 GLY 18 lone 1 63 - 2 - HB3 PRO 56 - HA2 GLY 21 lone 1 78 - 2 - HB3 PRO 56 - HA3 GLY 21 lone 1 78 - 2 - HB3 MET 31 - HA3 GLY 18 lone 1 54 - 2 - HB VAL 76 - HA3 GLY 18 lone 1 63 - 2 - HD3 ARG 69 - HA3 GLY 18 lone 1 44 - 3 - HD2 ARG 69 - HA3 GLY 18 lone 1 44 - 3 - HB VAL 76 - HA2 GLY 18 lone 1 61 - 2 - HB3 MET 31 - HA2 GLY 18 lone 1 51 - 2 - HD3 ARG 69 - HA2 GLY 18 lone 1 42 - 3 - HD2 ARG 69 - HA2 GLY 18 lone 1 42 - 3 - HB VAL 45 - HA3 GLY 18 lone 1 60 - 2 - HG2 PRO 56 - HA3 GLY 18 lone 1 55 - 2 - HB VAL 45 - HA2 GLY 18 lone 1 58 - 2 - HG2 PRO 56 - HA2 GLY 18 lone 1 53 - 2 - HB3 PRO 56 - HA3 GLY 18 lone 1 45 - 2 - HB3 PRO 56 - HA2 GLY 18 lone 1 44 - 2 - Peak 4153 from cnoeabs.peaks (2.05, 4.45, 58.33 ppm; 4.53 A): 6 out of 30 assignments used, quality = 0.89: HB2 GLU 25 + HA SER 22 OK 56 100 - 56 - 3.0/5500=9, 4155/3.0=9...(15) HB3 GLU 25 + HA SER 22 OK 55 99 - 56 - 3.0/5500=9, 4155/3.0=9...(15) HB3 GLU 50 + HA SER 22 OK 13 99 - 13 - 4155/3.0=2, 4154/3.0=2...(6) HB2 GLU 50 + HA SER 22 OK 13 99 - 13 - 4155/3.0=2, 4154/3.0=2...(6) HB3 MET 31 + HA SER 22 OK 13 78 - 16 - 4152/2.9=3, ~6117=2...(6) HG2 PRO 44 + HA SER 22 OK 12 100 - 12 - 4155/3.0=2, 4154/3.0=2...(4) HB3 GLU 19 - HA SER 22 lone 8 97 - 8 - 3.9/5501=3, 4155/3.0=1 HB VAL 76 - HA SER 22 lone 7 100 - 7 - 4152/2.9=2 HB VAL 76 - HA TYR 81 lone 6 95 - 7 - 5448/3.6=2, 5448/3.0=2 HB2 GLU 25 - HA TYR 81 lone 5 94 - 5 - HB3 GLU 25 - HA TYR 81 lone 5 94 - 5 - HD2 ARG 69 - HA TYR 81 lone 5 79 - 6 - 5823/3.7=2, 3.9/6059=1 HD3 ARG 69 - HA TYR 81 lone 5 79 - 6 - 5823/3.7=2, 3.9/6059=1 HD2 ARG 69 - HA SER 22 lone 4 87 - 5 - HD3 ARG 69 - HA SER 22 lone 4 87 - 5 - HG2 PRO 56 - HA SER 22 lone 4 97 - 4 - HB3 PRO 56 - HA SER 22 lone 3 89 - 3 - HB3 GLN 91 - HA SER 22 lone 3 99 - 3 - HB VAL 45 - HA SER 22 lone 2 89 - 3 - HB2 GLU 87 - HA SER 22 lone 2 89 - 2 - HB3 GLN 91 - HA TYR 81 lone 2 92 - 2 - HB3 GLU 19 - HA TYR 81 lone 2 91 - 2 - HB3 MET 31 - HA TYR 81 lone 2 70 - 3 - HG2 PRO 44 - HA TYR 81 lone 2 95 - 2 - HB2 GLU 50 - HA TYR 81 lone 2 92 - 2 - HB3 GLU 50 - HA TYR 81 lone 2 92 - 2 - HB2 GLU 87 - HA TYR 81 lone 1 81 - 2 - HG2 PRO 56 - HA TYR 81 lone 1 90 - 1 - HB VAL 45 - HA TYR 81 lone 1 81 - 1 - HB3 PRO 56 - HA TYR 81 lone 1 81 - 1 - Peak 4154 from cnoeabs.peaks (2.05, 4.01, 63.89 ppm; 5.25 A): 7 out of 15 assignments used, quality = 0.93: HB2 GLU 25 + HB2 SER 22 OK 61 100 - 62 - 4.0/5085=16, ~5498=13...(9) HB3 GLU 25 + HB2 SER 22 OK 61 99 - 62 - 4.0/5085=16, ~5498=13...(9) HB2 GLU 50 + HB2 SER 22 OK 19 99 - 19 - 4.7/4525=4, 4155/1.8=3...(7) HB3 GLU 50 + HB2 SER 22 OK 19 99 - 19 - 4.7/4525=4, 4155/1.8=3...(7) HG2 PRO 44 + HB2 SER 22 OK 16 100 - 15 - 4155/1.8=3, 4153/3.0=2...(4) HB3 MET 31 + HB2 SER 22 OK 12 78 - 15 - 4152/3.9=3, 4155/1.8=3...(5) HB3 GLU 19 + HB2 SER 22 OK 11 97 - 11 - 3.9/5319=4, 4155/1.8=2...(4) HB VAL 76 - HB2 SER 22 lone 7 100 - 7 - 4152/3.9=2, 4155/1.8=1 HD2 ARG 69 - HB2 SER 22 lone 5 87 - 6 - HD3 ARG 69 - HB2 SER 22 lone 5 87 - 6 - HG2 PRO 56 - HB2 SER 22 lone 5 97 - 5 - HB3 PRO 56 - HB2 SER 22 lone 4 89 - 5 - HB3 GLN 91 - HB2 SER 22 lone 4 99 - 4 - HB VAL 45 - HB2 SER 22 lone 4 89 - 4 - HB2 GLU 87 - HB2 SER 22 lone 3 89 - 4 - Peak 4155 from cnoeabs.peaks (2.05, 3.89, 63.89 ppm; 4.63 A): 6 out of 15 assignments used, quality = 0.90: HB3 GLU 25 + HB3 SER 22 OK 58 100 - 58 - 4.0/5084=17, 3.0/5498=14...(10) HB2 GLU 25 + HB3 SER 22 OK 58 100 - 58 - 4.0/5084=17, 3.0/5498=14...(10) HB2 GLU 50 + HB3 SER 22 OK 16 93 - 17 - 4.7/658=5, 4154/1.8=3...(8) HB3 GLU 50 + HB3 SER 22 OK 16 93 - 17 - 4.7/658=5, 4154/1.8=3...(8) HG2 PRO 44 + HB3 SER 22 OK 12 99 - 12 - 4154/1.8=2, 4153/3.0=2 HB3 MET 31 + HB3 SER 22 OK 12 90 - 13 - 4152/3.9=3, 4153/3.0=2...(5) HB3 GLU 19 - HB3 SER 22 lone 8 90 - 9 - 3.9/5320=4, 4154/1.8=1 HB VAL 76 - HB3 SER 22 lone 6 97 - 6 - 4152/3.9=1 HG2 PRO 56 - HB3 SER 22 lone 4 89 - 4 - HD3 ARG 69 - HB3 SER 22 lone 3 73 - 4 - HD2 ARG 69 - HB3 SER 22 lone 3 73 - 4 - HB3 GLN 91 - HB3 SER 22 lone 3 93 - 3 - HB3 PRO 56 - HB3 SER 22 lone 3 76 - 4 - HB VAL 45 - HB3 SER 22 lone 3 97 - 3 - HB2 GLU 87 - HB3 SER 22 lone 2 76 - 3 - Peak 4157 from cnoeabs.peaks (1.86, 4.49, 56.18 ppm; 3.53 A): 8 out of 15 assignments used, quality = 0.92: HB3 ARG 27 + HA ASP 24 OK 45 100 - 45 - 4.1/5383=13, 5187=5...(20) HB2 ARG 27 + HA ASP 24 OK 45 100 - 45 - 4.1/5383=13, 5187=5...(20) HB3 ARG 23 + HA ASP 24 OK 25 97 - 25 - 45/3.0=7, ~44=4, ~45=4...(9) HB2 ARG 23 + HA ASP 24 OK 24 97 - 25 - 45/3.0=7, ~44=4, ~45=4...(9) HB2 ARG 26 + HA ASP 24 OK 23 78 - 29 - 4.6/5383=11, 3.9/4169=9...(6) HB3 ARG 26 + HA ASP 24 OK 22 76 - 29 - 4.6/5383=11, 3.9/4169=9...(6) HB3 ARG 71 + HA ASP 24 OK 12 100 - 12 - 4.0/5838=3, 5187=1, 1.8/5187=1 HB2 ARG 71 + HA ASP 24 OK 12 100 - 12 - 4.0/5838=3, 5187=1, 1.8/5187=1 HB2 ARG 66 - HA ASP 24 lone 5 87 - 5 - HB3 PRO 14 - HA ASP 24 lone 2 60 - 3 - 4833/3.6=1 HB2 LYS 39 - HA ASP 24 lone 2 100 - 2 - HB2 ARG 17 - HA ASP 24 lone 2 87 - 2 - HB3 PRO 34 - HA ASP 24 lone 2 90 - 2 - HB2 LYS 75 - HA ASP 24 lone 1 92 - 1 - HB2 MET 11 - HA ASP 24 lone 1 65 - 1 - Peak 4160 from cnoeabs.peaks (0.80, 2.59, 40.55 ppm; 4.01 A): 5 out of 10 assignments used, quality = 0.87: QG2 ILE 68 + HB3 ASP 24 OK 55 99 - 56 - ~4760=16, 4752=12...(10) QD1 ILE 68 + HB3 ASP 24 OK 50 83 - 61 - 4760/1.8=26, ~5976=11...(11) QD1 LEU 43 + HB3 ASP 47 OK 23 29 - 79 - ~4907=18, 2.1/4389=17...(14) QD1 LEU 43 + HB3 ASP 24 OK 15 60 - 24 - 2.1/4389=5, ~5508=5...(7) QD1 ILE 89 + HB3 ASP 47 OK 11 55 - 19 - ~4442=4, 2.1/4835=3...(9) QG2 ILE 68 - HB3 ASP 47 poor 7 57 - 12 - 4752=3, 4447/1.8=1...(5) QD1 ILE 89 - HB3 ASP 24 lone 5 97 - 6 - 2.1/4835=2 QD1 ILE 68 - HB3 ASP 47 poor 5 43 - 12 - 2.9/4752=3, 4760/1323=2...(6) QG1 VAL 41 - HB3 ASP 47 lone 5 59 - 9 - ~4446=3, ~4450=2 QG1 VAL 41 - HB3 ASP 24 lone 5 100 - 5 - ~5508=2 Peak 4161 from cnoeabs.peaks (1.33, 4.09, 58.48 ppm; 3.49 A): 5 out of 32 assignments used, quality = 0.80: QB ALA 28 + HA GLU 25 OK 46 100 - 46 - 4181=16, 2.9/5347=6...(12) QB ALA 28 + HA ARG 27 OK 30 55 - 55 - 5.0=34, 2.9/5347=12...(9) QB ALA 28 + HA ARG 26 OK 27 78 - 35 - 4181=10, 5520/3.6=8...(8) QB ALA 28 + HA ARG 71 OK 17 92 - 19 - 4181=6, 3.6/4184=4, 2.9/5347=2 HG3 LYS 32 + HA ARG 71 OK 10 90 - 12 - 3.0/2921=1, 3.0/2921=1 HB2 LEU 51 - HA GLU 25 lone 6 93 - 7 - ~5084=1 HB2 LEU 52 - HA GLU 25 lone 6 100 - 6 - 6128/5105=1 HG3 LYS 32 - HA ARG 26 lone 5 76 - 7 - 5520/3.6=2 HG3 LYS 32 - HA ARG 27 lone 5 54 - 9 - 543/3.6=3, 5520/3.0=2 HB2 LEU 52 - HA ARG 27 lone 4 56 - 7 - 543/3.6=3, 5520/3.0=2 HG3 LYS 32 - HA GLU 25 lone 4 99 - 4 - QB ALA 16 - HA GLU 25 lone 4 73 - 5 - 5511/2.9=1, ~50=1 HB2 LEU 52 - HA ARG 26 lone 3 79 - 4 - 5520/3.6=2 HB2 LEU 52 - HA ARG 71 lone 3 93 - 3 - HB2 LEU 51 - HA ARG 71 lone 3 83 - 3 - HB2 LEU 51 - HA ARG 26 lone 2 69 - 3 - QB ALA 12 - HA GLU 25 lone 2 100 - 2 - HB2 LEU 51 - HA ARG 27 lone 2 47 - 3 - QB ALA 12 - HA ARG 26 lone 1 78 - 2 - QB ALA 12 - HA ARG 27 lone 1 55 - 2 - HG2 ARG 54 - HA ARG 71 lone 1 51 - 2 - QB ALA 12 - HA ARG 71 lone 1 92 - 1 - QB ALA 16 - HA ARG 26 lone 1 51 - 2 - QB ALA 16 - HA ARG 27 lone 1 34 - 2 - QB ALA 16 - HA ARG 71 lone 1 63 - 1 - QG2 THR 58 - HA GLU 25 lone 1 76 - 1 - HG2 ARG 54 - HA ARG 26 lone 1 40 - 1 - HG2 ARG 54 - HA GLU 25 lone 0 60 - 1 - QG2 THR 58 - HA ARG 71 lone 0 65 - 1 - QG2 THR 58 - HA ARG 27 lone 0 36 - 1 - QG2 THR 58 - HA ARG 26 lone 0 53 - 1 - HG2 ARG 54 - HA ARG 27 lone 0 27 - 1 - Peak 4162 from cnoeabs.peaks (1.17, 4.09, 58.48 ppm; 3.85 A): 3 out of 20 assignments used, quality = 0.59: QG2 THR 37 + HA GLU 25 OK 45 100 - 45 - 5105=24, 5513/4.1=7...(7) QG2 THR 37 + HA ARG 27 OK 15 55 - 28 - 5105=11, 6128/5.0=11...(4) QG2 THR 37 + HA ARG 26 OK 13 78 - 17 - 5105=7, 5107/3.6=2, 6128/4181=2 QG2 THR 37 - HA ARG 71 poor 10 92 - 11 - 5105=5, 4754/5186=1, 6128/4181=1 HG12 ILE 89 - HA ARG 27 poor 8 31 - 25 - ~5519=4, ~5521=3...(10) QG2 THR 88 - HA GLU 25 lone 7 78 - 9 - 5513/4.1=3, 4164/4.1=2 QG2 THR 15 - HA GLU 25 lone 7 76 - 9 - 1136/2.9=2, ~1132=1...(5) HG12 ILE 89 - HA GLU 25 poor 7 68 - 10 - 5513/4.1=2, 4164/4.1=2 QG2 THR 88 - HA ARG 27 poor 6 37 - 17 - 4037/3.0=3, 3595=3...(7) QG2 THR 88 - HA ARG 26 lone 5 55 - 9 - 4037/3.6=3, ~3589=1, ~5345=1 HG12 ILE 89 - HA ARG 71 lone 4 58 - 6 - ~5835=1 HG12 ILE 89 - HA ARG 26 lone 4 47 - 8 - 3618/3.6=3, 3.2/4163=1 HG LEU 52 - HA GLU 25 lone 3 65 - 5 - 5532/4181=1, 3.0/4161=1 HG LEU 52 - HA ARG 27 lone 2 30 - 8 - 5532/5.0=5, ~5520=1 QG2 THR 88 - HA ARG 71 lone 2 68 - 2 - QG2 THR 15 - HA ARG 27 lone 2 36 - 4 - 5532/5.0=1, 1136/3.6=1 HG LEU 52 - HA ARG 71 lone 1 56 - 2 - QG2 THR 15 - HA ARG 26 lone 1 53 - 2 - HG LEU 52 - HA ARG 26 lone 1 45 - 2 - QG2 THR 15 - HA ARG 71 lone 1 65 - 1 - Peak 4163 from cnoeabs.peaks (0.85, 4.09, 58.48 ppm; 4.12 A): 11 out of 24 assignments used, quality = 0.90: QD2 LEU 29 + HA GLU 25 OK 28 100 - 28 - 4.8/4184=4, 4165/4.1=4...(10) QD2 LEU 29 + HA ARG 26 OK 24 78 - 31 - 3.1/5348=5, ~5516=3...(11) QD2 LEU 29 + HA ARG 71 OK 24 92 - 26 - 3.1/5348=6, 4.8/4184=4...(8) QD2 LEU 64 + HA ARG 27 OK 20 55 - 37 - 5162/5.0=8, 5015/3.6=7...(10) QG2 ILE 89 + HA ARG 27 OK 19 54 - 36 - 5521/3.0=7, ~5519=3...(15) QD2 LEU 64 + HA ARG 71 OK 18 92 - 19 - ~5834=2, 5028/3.0=1...(6) QD2 LEU 64 + HA GLU 25 OK 17 100 - 18 - 5015/2.9=3, 4804/4.1=2...(7) QG2 ILE 89 + HA GLU 25 OK 17 99 - 17 - 4165/4.1=2, 4804/4.1=2...(7) QD2 LEU 64 + HA ARG 26 OK 14 78 - 18 - 5521/3.6=5, 5028/3.0=1...(6) QG2 ILE 89 + HA ARG 26 OK 13 76 - 17 - 5521/3.6=7, 5998/3.0=2 QD2 LEU 29 + HA ARG 27 OK 11 55 - 20 - 4839/5.0=4, 5521/3.0=4...(6) QD1 LEU 62 - HA ARG 26 poor 10 47 - 21 - ~5962=5, 5516/3.0=3...(8) QD1 LEU 62 - HA ARG 71 poor 10 58 - 17 - ~5834=2, 3.1/4186=2...(6) QD2 LEU 86 - HA ARG 26 poor 9 66 - 14 - 5521/3.6=2, ~5516=2...(4) QD2 LEU 86 - HA ARG 71 poor 9 80 - 11 - QG2 ILE 89 - HA ARG 71 lone 9 90 - 10 - ~5835=1, 3.1/5186=1 QD2 LEU 86 - HA GLU 25 lone 7 90 - 8 - QD1 LEU 62 - HA GLU 25 poor 7 68 - 10 - 5516/3.6=3, 4165/4.1=1 QD1 LEU 43 - HA ARG 71 lone 6 74 - 9 - ~5834=1 QD2 LEU 86 - HA ARG 27 poor 5 45 - 12 - 5521/3.0=2, 4839/5.0=2 QD1 LEU 43 - HA ARG 26 lone 5 60 - 8 - 5521/3.6=2 QD1 LEU 43 - HA ARG 27 poor 5 41 - 12 - 5521/3.0=2, 4171/3.6=1 QD1 LEU 43 - HA GLU 25 lone 4 85 - 4 - QD1 LEU 62 - HA ARG 27 lone 1 31 - 4 - Peak 4164 from cnoeabs.peaks (1.16, 2.26, 36.07 ppm; 5.03 A): 3 out of 12 assignments used, quality = 0.69: QG2 THR 37 + HG2 GLU 25 OK 55 99 - 56 - 5513/1.8=19, 5105/4.1=17...(8) QG2 THR 88 + HG2 GLU 25 OK 19 89 - 21 - 5513/1.8=7, 3.2/5517=5...(8) HG12 ILE 89 + HG2 GLU 25 OK 16 81 - 20 - 5513/1.8=6, 3.2/4165=5...(5) QG2 THR 15 - HG2 GLU 25 poor 9 63 - 15 - 3.9/11=5, 5513/1.8=3...(6) QG2 THR 88 - HG2 GLU 19 poor 9 49 - 19 - 4.0/5921=4, 3.2/5517=4...(4) QG2 THR 88 - HG3 GLU 19 poor 9 49 - 19 - 4.0/5921=4, 3.2/5517=4...(4) QG2 THR 37 - HG2 GLU 19 lone 3 59 - 4 - QG2 THR 37 - HG3 GLU 19 lone 3 59 - 4 - HG12 ILE 89 - HG3 GLU 19 lone 1 43 - 3 - HG12 ILE 89 - HG2 GLU 19 lone 1 43 - 3 - QG2 THR 15 - HG3 GLU 19 lone 1 32 - 3 - QG2 THR 15 - HG2 GLU 19 lone 1 32 - 3 - Peak 4165 from cnoeabs.peaks (0.86, 2.26, 36.07 ppm; 4.64 A): 4 out of 21 assignments used, quality = 0.51: QD2 LEU 29 + HG2 GLU 25 OK 22 85 - 26 - 4804/1.8=7, ~5304=4...(8) QD1 LEU 29 + HG2 GLU 25 OK 18 89 - 20 - ~4804=5, 4804/1.8=5...(7) QG2 ILE 89 + HG2 GLU 25 OK 14 78 - 18 - 4804/1.8=5, 3.2/4164=4...(6) QD2 LEU 64 + HG2 GLU 25 OK 11 85 - 14 - 4804/1.8=4, 5015/5.0=2...(5) QD1 LEU 62 - HG2 GLU 25 lone 8 97 - 9 - 4804/1.8=3, 5516/58=2 QD1 LEU 86 - HG2 GLU 25 lone 6 71 - 8 - 5304/1.8=1, ~4804=1 HG LEU 51 - HG2 GLU 25 lone 3 60 - 5 - ~5512=1, ~4949=1 QD2 LEU 64 - HG2 GLU 19 lone 2 46 - 5 - 6103/3.0=1, ~6102=1 QD2 LEU 64 - HG3 GLU 19 lone 2 46 - 5 - 6103/3.0=1, ~6102=1 QD1 LEU 86 - HG2 GLU 19 lone 1 37 - 3 - QD1 LEU 86 - HG3 GLU 19 lone 1 37 - 3 - QD1 LEU 62 - HG2 GLU 19 lone 1 56 - 2 - QD1 LEU 62 - HG3 GLU 19 lone 1 56 - 2 - QG2 ILE 89 - HG3 GLU 19 lone 1 41 - 2 - QG2 ILE 89 - HG2 GLU 19 lone 1 41 - 2 - QD1 LEU 29 - HG3 GLU 19 lone 1 49 - 2 - QD1 LEU 29 - HG2 GLU 19 lone 1 49 - 2 - QD2 LEU 29 - HG3 GLU 19 lone 1 46 - 2 - QD2 LEU 29 - HG2 GLU 19 lone 1 46 - 2 - HG LEU 51 - HG3 GLU 19 lone 1 30 - 2 - HG LEU 51 - HG2 GLU 19 lone 1 30 - 2 - Peak 4167 from cnoeabs.peaks (1.36, 2.05, 29.32 ppm; 4.64 A): 8 out of 65 assignments used, quality = 0.92: QB ALA 28 + HB2 GLU 25 OK 50 78 - 65 - 4181/3.0=11, 5512/3.0=10...(22) QB ALA 28 + HB3 GLU 25 OK 50 78 - 65 - 4181/3.0=11, 5512/3.0=10...(22) HG3 ARG 69 + HB2 GLU 50 OK 27 63 - 44 - 4501/3.9=5, 2822/1.8=4...(20) HG3 ARG 69 + HB3 GLU 50 OK 27 63 - 44 - 4501/3.9=5, 2822/1.8=4...(20) QB ALA 28 + HB2 GLU 50 OK 11 52 - 22 - 4501/3.9=3, 2.1/5529=2...(9) QB ALA 28 + HB3 GLU 50 OK 11 52 - 22 - 4501/3.9=3, 2.1/5529=2...(9) QB ALA 77 + HB2 GLU 25 OK 11 92 - 12 - 2.9/350=2, 5514/3.0=2...(5) QB ALA 77 + HB3 GLU 25 OK 11 92 - 12 - 2.9/350=2, 5514/3.0=2...(5) QB ALA 20 - HB2 GLU 25 poor 10 89 - 11 - 5514/3.0=2, 4.8/4151=1...(5) QB ALA 20 - HB3 GLU 25 poor 10 89 - 11 - 5514/3.0=2, 4.8/4151=1...(5) QB ALA 16 - HB2 GLU 25 lone 9 100 - 9 - 5511/4.0=3, 5512/3.0=2 QB ALA 16 - HB3 GLU 25 lone 9 100 - 9 - 5511/4.0=3, 5512/3.0=2 HG3 ARG 69 - HB2 GLU 25 lone 8 90 - 9 - 5514/3.0=1 HG3 ARG 69 - HB3 GLU 25 lone 8 90 - 9 - 5514/3.0=1 HB2 LEU 52 - HB3 GLU 50 poor 8 46 - 17 - 4.6/5698=7, 4501/3.9=3...(4) HB2 LEU 52 - HB2 GLU 50 poor 8 46 - 17 - 4.6/5698=7, 4501/3.9=3...(4) HB2 LEU 52 - HB2 GLU 25 poor 7 71 - 10 - 5512/3.0=2, 5511/4.0=2 HB2 LEU 52 - HB3 GLU 25 poor 7 71 - 10 - 5512/3.0=2, 5511/4.0=2 QB ALA 20 - HB3 GLU 50 poor 7 61 - 11 - 2.9/29=1, 4501/3.9=1 QB ALA 20 - HB2 GLU 50 poor 7 61 - 11 - 2.9/29=1, 4501/3.9=1 QB ALA 77 - HB3 GLU 50 lone 6 64 - 9 - 2.9/350=2, ~350=1 QB ALA 77 - HB2 GLU 50 lone 6 64 - 9 - 2.9/350=2, ~350=1 QB ALA 78 - HB3 GLU 25 lone 5 65 - 8 - ~3746=1 QB ALA 78 - HB2 GLU 25 lone 5 65 - 8 - ~3746=1 HG2 LYS 83 - HB2 GLU 25 lone 4 99 - 4 - HG2 LYS 83 - HB3 GLU 25 lone 4 99 - 4 - HG3 ARG 69 - HB3 PRO 56 lone 4 46 - 8 - HG2 LYS 85 - HB2 GLU 25 lone 3 89 - 4 - HG2 LYS 85 - HB3 GLU 25 lone 3 89 - 4 - HG3 LYS 75 - HB3 GLU 50 lone 3 38 - 7 - 4.9/813=1 HG3 LYS 75 - HB2 GLU 50 lone 3 38 - 7 - 4.9/813=1 HG2 LYS 75 - HB2 GLU 50 lone 3 38 - 7 - 4.9/813=1 HG2 LYS 75 - HB3 GLU 50 lone 3 38 - 7 - 4.9/813=1 QB ALA 12 - HB2 GLU 25 lone 2 63 - 4 - QB ALA 12 - HB3 GLU 25 lone 2 63 - 4 - HG3 LYS 73 - HB2 GLU 25 lone 2 65 - 3 - HG3 LYS 73 - HB3 GLU 25 lone 2 65 - 3 - QB ALA 16 - HB3 GLU 50 lone 2 76 - 3 - QB ALA 16 - HB2 GLU 50 lone 2 76 - 3 - HG3 LYS 73 - HB3 GLU 50 lone 2 42 - 5 - 4501/3.9=1 HG3 LYS 73 - HB2 GLU 50 lone 2 42 - 5 - 4501/3.9=1 QB ALA 78 - HB3 GLU 50 lone 2 42 - 4 - QB ALA 78 - HB2 GLU 50 lone 2 42 - 4 - HG2 LYS 83 - HB3 GLU 50 lone 2 72 - 2 - HG2 LYS 83 - HB2 GLU 50 lone 2 72 - 2 - HG2 LYS 75 - HB2 GLU 25 lone 2 60 - 3 - HG3 LYS 75 - HB2 GLU 25 lone 2 60 - 3 - HG2 LYS 75 - HB3 GLU 25 lone 2 60 - 3 - HG3 LYS 75 - HB3 GLU 25 lone 2 60 - 3 - HG2 LYS 85 - HB2 GLU 50 lone 2 61 - 2 - HG2 LYS 85 - HB3 GLU 50 lone 2 61 - 2 - QB ALA 77 - HB3 PRO 56 lone 1 47 - 3 - QB ALA 28 - HB3 PRO 56 lone 1 38 - 3 - QB ALA 78 - HB3 PRO 56 lone 1 30 - 3 - QB ALA 20 - HB3 PRO 56 lone 1 45 - 2 - QB ALA 12 - HB3 GLU 50 lone 1 40 - 2 - QB ALA 12 - HB2 GLU 50 lone 1 40 - 2 - QB ALA 16 - HB3 PRO 56 lone 1 57 - 1 - HG2 LYS 83 - HB3 PRO 56 lone 1 54 - 1 - HG2 LYS 85 - HB3 PRO 56 lone 1 45 - 1 - HG3 LYS 73 - HB3 PRO 56 lone 1 30 - 2 - HG2 LYS 75 - HB3 PRO 56 lone 1 27 - 2 - HG3 LYS 75 - HB3 PRO 56 lone 1 27 - 2 - HB2 LEU 52 - HB3 PRO 56 lone 1 33 - 2 - QB ALA 12 - HB3 PRO 56 lone 0 29 - 1 - Peak 4168 from cnoeabs.peaks (0.85, 2.05, 29.32 ppm; 5.14 A): 8 out of 35 assignments used, quality = 0.93: QD2 LEU 29 + HB2 GLU 25 OK 41 98 - 42 - 4165/3.0=8, 4804/3.0=7...(15) QD2 LEU 29 + HB3 GLU 25 OK 41 98 - 42 - 4165/3.0=8, 4804/3.0=7...(15) QD1 LEU 29 + HB2 GLU 25 OK 26 65 - 41 - 4165/3.0=6, ~4165=6...(16) QD1 LEU 29 + HB3 GLU 25 OK 26 65 - 41 - 4165/3.0=6, ~4165=6...(16) QG2 ILE 89 + HB2 GLU 25 OK 23 96 - 24 - 4165/3.0=5, 4804/3.0=5...(8) QG2 ILE 89 + HB3 GLU 25 OK 23 96 - 24 - 4165/3.0=5, 4804/3.0=5...(8) QD2 LEU 64 + HB3 GLU 25 OK 21 98 - 22 - 4165/3.0=4, 4804/3.0=4...(6) QD2 LEU 64 + HB2 GLU 25 OK 21 98 - 22 - 4165/3.0=4, 4804/3.0=4...(6) QD1 LEU 62 - HB2 GLU 25 OK 14 81 - 17 - 5516/4.7=5, 4165/3.0=3...(6) QD1 LEU 62 - HB3 GLU 25 OK 14 81 - 17 - 5516/4.7=5, 4165/3.0=3...(6) QD2 LEU 64 - HB3 GLU 50 OK 13 72 - 18 - 4504/3.0=4, ~5794=2...(6) QD2 LEU 64 - HB2 GLU 50 OK 13 72 - 18 - 4504/3.0=4, ~5794=2...(6) QD2 LEU 86 - HB2 GLU 25 OK 11 81 - 14 - 4804/3.0=2, ~4165=2...(5) QD2 LEU 86 - HB3 GLU 25 OK 11 81 - 14 - 4804/3.0=2, ~4165=2...(5) QD1 LEU 43 - HB2 GLU 50 poor 9 48 - 19 - 2030/4.7=7, 4504/3.0=3...(5) QD1 LEU 43 - HB3 GLU 50 poor 9 48 - 19 - 2030/4.7=7, 4504/3.0=3...(5) QD1 LEU 62 - HB3 GLU 50 poor 8 54 - 15 - ~5001=3, 5239/3.0=2...(7) QD1 LEU 62 - HB2 GLU 50 poor 8 54 - 15 - ~5001=3, 5239/3.0=2...(7) QD2 LEU 29 - HB3 GLU 50 poor 7 72 - 10 - 4504/3.0=2 QD2 LEU 29 - HB2 GLU 50 poor 7 72 - 10 - 4504/3.0=2 QD1 LEU 43 - HB3 GLU 25 lone 5 73 - 6 - QD1 LEU 43 - HB2 GLU 25 lone 5 73 - 6 - QD2 LEU 86 - HB3 GLU 50 lone 4 54 - 7 - 4.9/867=1 QD2 LEU 86 - HB2 GLU 50 lone 4 54 - 7 - 4.9/867=1 QD1 LEU 29 - HB3 GLU 50 lone 4 42 - 9 - ~4504=1, 661/4.7=1 QD1 LEU 29 - HB2 GLU 50 lone 4 42 - 9 - ~4504=1, 661/4.7=1 QG2 ILE 89 - HB3 GLU 50 lone 3 68 - 5 - QG2 ILE 89 - HB2 GLU 50 lone 3 68 - 5 - QG2 ILE 89 - HB3 PRO 56 lone 2 50 - 4 - 5998/4.0=1 QD1 LEU 62 - HB3 PRO 56 lone 2 39 - 5 - 5367/4.0=2 QD2 LEU 29 - HB3 PRO 56 lone 2 53 - 3 - QD1 LEU 43 - HB3 PRO 56 lone 2 35 - 5 - QD2 LEU 64 - HB3 PRO 56 lone 2 53 - 3 - QD2 LEU 86 - HB3 PRO 56 lone 1 39 - 3 - QD1 LEU 29 - HB3 PRO 56 lone 1 30 - 3 - Peak 4172 from cnoeabs.peaks (1.21, 3.96, 54.22 ppm; 4.33 A): 5 out of 7 assignments used, quality = 0.92: HG13 ILE 33 + HA ALA 28 OK 74 99 - 75 - 2.1/4174=20, ~4179=19...(15) QG2 VAL 65 + HA ALA 28 OK 32 100 - 32 - 4725/4174=4, 4714/3.6=3...(12) HG LEU 52 + HA ALA 28 OK 30 90 - 33 - 2274/2.1=7, 3.0/1472=6...(7) QG1 VAL 65 + HA ALA 28 OK 21 81 - 27 - ~5532=3, 4729/4174=3...(10) HG13 ILE 40 + HA ALA 28 OK 17 83 - 21 - 2.1/4313=3, 1.8/4176=3...(8) HG2 ARG 69 - HA ALA 28 poor 9 60 - 15 - 3.0/5047=2, 4.7/5379=2...(5) QG2 THR 15 - HA ALA 28 poor 8 83 - 10 - 1136/3.0=2, 5532/2.1=2...(5) Peak 4173 from cnoeabs.peaks (0.83, 3.96, 54.22 ppm; 3.66 A): 6 out of 7 assignments used, quality = 0.86: QD2 LEU 64 + HA ALA 28 OK 52 98 - 53 - 5162/2.1=13, 4384=10...(12) QG2 ILE 68 + HA ALA 28 OK 33 65 - 51 - ~5302=13, ~4758=10...(13) QD2 LEU 29 + HA ALA 28 OK 25 98 - 26 - 550/3.6=7, 4177/2.1=7...(4) QG2 ILE 89 + HA ALA 28 OK 19 99 - 19 - 4177/2.1=4, 550/3.6=3...(5) QD1 LEU 43 + HA ALA 28 OK 16 99 - 16 - 4177/2.1=3, 550/3.6=2...(5) QD2 LEU 86 + HA ALA 28 OK 15 100 - 15 - 550/3.6=4, 4177/2.1=4...(4) QD1 ILE 89 - HA ALA 28 poor 8 71 - 11 - 2.1/4175=2, ~4177=2...(4) Peak 4174 from cnoeabs.peaks (0.71, 3.96, 54.22 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 33 + HA ALA 28 OK 80 99 - 80 - 4178/2.1=24, ~4179=22...(19) QD2 LEU 57 + HA ALA 28 OK 51 100 - 51 - 4178/2.1=16, ~4986=7...(15) Peak 4175 from cnoeabs.peaks (1.46, 3.96, 54.22 ppm; 4.27 A): 7 out of 10 assignments used, quality = 0.95: HG12 ILE 33 + HA ALA 28 OK 65 87 - 75 - 2.1/4174=20, ~4179=18...(15) HB3 LEU 57 + HA ALA 28 OK 42 99 - 42 - 3.1/4174=11, ~4178=7...(10) HB3 LEU 52 + HA ALA 28 OK 40 97 - 41 - 1.8/1472=7, ~5532=7...(12) QB ALA 30 + HA ALA 28 OK 34 89 - 38 - 3.6/4182=9, 5534/3.6=7...(7) HG13 ILE 89 + HA ALA 28 OK 18 76 - 24 - 3.2/4173=4, 2.1/5928=3...(8) QB ALA 63 + HA ALA 28 OK 11 73 - 16 - 3.6/4687=3, 5534/3.6=3...(4) HB3 LEU 43 + HA ALA 28 OK 11 71 - 16 - 3.1/4173=3, 5534/3.6=2, ~4177=2 HG2 LYS 73 - HA ALA 28 poor 10 90 - 11 - 5534/3.6=2, 4.9/320=1 HG3 LYS 13 - HA ALA 28 lone 7 99 - 7 - 5534/3.6=2 HG3 LYS 85 - HA ALA 28 lone 5 98 - 5 - 5534/3.6=1 Peak 4176 from cnoeabs.peaks (1.92, 3.96, 54.22 ppm; 4.51 A): 3 out of 9 assignments used, quality = 0.94: HG13 ILE 68 + HA ALA 28 OK 69 100 - 70 - ~5302=25, ~4758=20...(13) HB2 MET 31 + HA ALA 28 OK 63 93 - 68 - 3.0/5530=18, 4.0/4182=10...(16) HB ILE 68 + HA ALA 28 OK 44 71 - 63 - ~5302=19, 2.1/5928=16...(12) HB VAL 41 - HA ALA 28 OK 28 99 - 28 - 2.1/5928=7, ~5302=5...(7) HG12 ILE 40 - HA ALA 28 OK 17 89 - 20 - 1.8/4172=4, 2.1/4313=4...(8) HB3 ARG 66 - HA ALA 28 OK 16 83 - 20 - ~4837=2, 2.8/2707=2...(5) HB2 GLU 19 - HA ALA 28 lone 6 96 - 6 - HB3 GLU 87 - HA ALA 28 lone 3 93 - 3 - HB2 GLN 91 - HA ALA 28 lone 2 71 - 3 - Peak 4177 from cnoeabs.peaks (0.83, 1.34, 17.80 ppm; 3.53 A): 6 out of 7 assignments used, quality = 0.88: QD2 LEU 64 + QB ALA 28 OK 50 97 - 51 - 5162=15, 4173/2.1=10...(13) QD2 LEU 29 + QB ALA 28 OK 33 97 - 34 - 4.8/78=10, 4839=5...(7) QG2 ILE 68 + QB ALA 28 OK 32 68 - 47 - 2.9/5302=22, 2.1/4837=7...(11) QG2 ILE 89 + QB ALA 28 OK 22 99 - 23 - 4173/2.1=4, 550/3.6=3...(8) QD2 LEU 86 + QB ALA 28 OK 18 100 - 18 - 550/3.6=4, 4173/2.1=3...(6) QD1 LEU 43 + QB ALA 28 OK 14 100 - 14 - 4173/2.1=3, 550/3.6=2...(4) QD1 ILE 89 - QB ALA 28 poor 8 73 - 11 - ~4173=2, 4173/2.1=2...(4) Peak 4178 from cnoeabs.peaks (0.71, 1.34, 17.80 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.91: QD1 ILE 33 + QB ALA 28 OK 81 99 - 82 - 3.2/4179=31, 4.8/5303=21...(18) QD2 LEU 57 + QB ALA 28 OK 52 100 - 52 - 4174/2.1=13, 4612/4179=9...(14) Peak 4179 from cnoeabs.peaks (0.28, 1.34, 17.80 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.54: QG2 ILE 33 + QB ALA 28 OK 54 71 - 76 - 4.1/5303=23, 3.2/4178=17...(20) Peak 4180 from cnoeabs.peaks (1.75, 1.34, 17.80 ppm; 3.51 A): 7 out of 17 assignments used, quality = 0.94: HB ILE 33 + QB ALA 28 OK 62 92 - 67 - 2.1/4179=26, 3.9/5303=17...(15) HB3 LYS 32 + QB ALA 28 OK 41 83 - 50 - 4.3/5303=15, 3.0/1559=6...(18) HB2 LYS 32 + QB ALA 28 OK 41 83 - 50 - 4.3/5303=15, 3.0/1559=6...(18) HB2 LEU 57 + QB ALA 28 OK 27 95 - 29 - 3.1/4178=8, 3.1/4986=5...(7) HG3 ARG 26 + QB ALA 28 OK 21 100 - 21 - 3.7/4181=5, 3.0/4837=4...(6) HB2 LEU 62 + QB ALA 28 OK 13 99 - 13 - 3907/3.6=3, 3.0/5321=2 HG3 ARG 71 + QB ALA 28 OK 11 100 - 11 - 3.8/4181=3 HG2 PRO 34 - QB ALA 28 lone 9 99 - 10 - 4860/5196=1, 572/5303=1 HB2 ARG 54 - QB ALA 28 lone 8 96 - 8 - 1.8/5321=2, 4.6/4838=1 HB2 LEU 43 - QB ALA 28 lone 5 60 - 9 - 3.1/4177=2, ~4173=1 HB2 PRO 34 - QB ALA 28 lone 5 68 - 7 - 1660/4179=1 HB3 LYS 73 - QB ALA 28 lone 4 73 - 6 - HB2 ARG 84 - QB ALA 28 lone 4 65 - 7 - 4.0/1473=1 HB3 ARG 17 - QB ALA 28 lone 4 97 - 4 - HB3 LYS 39 - QB ALA 28 lone 3 60 - 6 - 2.9/5321=1 HB3 ARG 82 - QB ALA 28 lone 3 96 - 3 - HB2 LYS 83 - QB ALA 28 lone 2 63 - 4 - 4.3/1473=1 Peak 4181 from cnoeabs.peaks (4.09, 1.34, 17.80 ppm; 3.47 A): 4 out of 6 assignments used, quality = 0.78: HA GLU 25 + QB ALA 28 OK 43 100 - 44 - 4161=12, 5347/2.9=6...(12) HA ARG 27 + QB ALA 28 OK 36 65 - 55 - 5.0=34, 5347/2.9=12...(9) HA ARG 26 + QB ALA 28 OK 27 83 - 33 - 3.6/5520=8, 4161=7...(8) HA ARG 71 + QB ALA 28 OK 16 95 - 17 - 4161=5, 4184/3.6=4, 5347/2.9=2 HA VAL 90 - QB ALA 28 lone 6 95 - 6 - 4184/3.6=3 HA ALA 63 - QB ALA 28 lone 5 65 - 8 - 4184/3.6=4, 3.0/3762=1 Peak 4182 from cnoeabs.peaks (7.70, 3.96, 54.22 ppm; 4.97 A): 5 out of 5 assignments used, quality = 0.91: H MET 31 + HA ALA 28 OK 73 100 - 73 - 4.7/5530=17, 5525/3.6=16...(15) H GLN 61 + HA ALA 28 OK 30 78 - 39 - 710=4, 4.0/2541=4...(16) H ASN 42 + HA ALA 28 OK 28 93 - 30 - 5525/3.6=6, 4.1/5928=5...(7) H GLU 50 + HA ALA 28 OK 21 76 - 27 - 5525/3.6=5, 4838/2.1=4...(10) H TYR 55 + HA ALA 28 OK 18 93 - 19 - 4838/2.1=3, 5525/3.6=3...(5) Peak 4183 from cnoeabs.peaks (1.34, 4.16, 56.71 ppm; 4.38 A): 3 out of 21 assignments used, quality = 0.95: QB ALA 28 + HA LEU 29 OK 88 100 - 88 - 4.9=71, 78/3.0=24...(14) HB2 LEU 52 + HA LEU 29 OK 36 100 - 36 - 78/3.0=5, 5535/3.6=5...(14) HB2 LEU 51 + HA LEU 29 OK 31 92 - 34 - 4839/4.0=4, 78/3.0=4...(14) HG3 LYS 32 - HA LEU 29 OK 31 99 - 32 - 4.9/4205=7, 1594/3.0=6...(10) HG3 LYS 32 - HA LYS 73 OK 30 88 - 34 - 4.9/4205=2, 1596/3.0=2...(15) QB ALA 28 - HA LYS 73 OK 14 91 - 15 - 3.6/545=3, 5303/5188=2, ~320=1 HB2 LEU 51 - HA LYS 73 OK 12 79 - 15 - ~5205=2, 3.0/1481=1 HB2 LEU 52 - HA LYS 73 poor 10 91 - 11 - 4.6/672=2, 2261/3.8=1, ~789=1 QB ALA 28 - HA ARG 84 poor 9 64 - 14 - 3.6/545=3, 1473/3.0=3, ~1470=1 HG3 LYS 32 - HA ARG 84 poor 8 61 - 13 - QB ALA 12 - HA LEU 29 lone 5 100 - 4 - QG2 THR 58 - HA LEU 29 lone 4 73 - 6 - 5535/3.6=1 QB ALA 16 - HA LEU 29 lone 4 76 - 5 - 2.9/19=2, 5.0/1130=1 HB2 LEU 51 - HA ARG 84 lone 2 54 - 4 - HB2 LEU 52 - HA ARG 84 lone 2 64 - 3 - QB ALA 16 - HA ARG 84 lone 2 42 - 5 - 2.9/19=2, 5.0/1130=1 QB ALA 16 - HA LYS 73 lone 2 64 - 3 - QB ALA 12 - HA LYS 73 lone 2 90 - 2 - QB ALA 12 - HA ARG 84 lone 1 64 - 2 - QG2 THR 58 - HA LYS 73 lone 1 61 - 2 - QG2 THR 58 - HA ARG 84 lone 1 40 - 1 - Peak 4186 from cnoeabs.peaks (4.07, 1.58, 41.88 ppm; 3.91 A): 6 out of 15 assignments used, quality = 0.94: HA ALA 63 + HB3 LEU 29 OK 52 95 - 55 - 5348/1.8=13, 3.0/257=6...(21) HA ALA 63 + HB3 LEU 62 OK 50 91 - 55 - ~3907=8, ~256=8...(19) HA ARG 71 + HB3 LEU 29 OK 30 100 - 30 - 5348/1.8=7, 5394=4...(9) HA ARG 26 + HB3 LEU 29 OK 29 99 - 30 - 5348/1.8=6, 5394=5...(10) HA ARG 26 + HB3 LEU 62 OK 27 97 - 28 - 5394=4, ~5962=3...(11) HA VAL 90 + HB3 LEU 29 OK 27 100 - 26 - 5348/1.8=6, 4184/4.0=3...(10) HA ARG 71 - HB3 LEU 62 OK 21 99 - 21 - 5394=3, 725/4.6=2...(9) HA GLU 25 - HB3 LEU 29 OK 20 93 - 21 - 4184/4.0=4, 5348/1.8=4...(7) HA VAL 90 - HB3 LEU 86 OK 16 78 - 21 - ~3520=3, ~3513=2...(10) HA ALA 63 - HB3 LEU 86 OK 11 69 - 16 - 3.0/258=2, ~260=2...(4) HA ARG 71 - HB3 LEU 86 poor 9 78 - 11 - 5394=2 HA ARG 26 - HB3 LEU 86 poor 8 76 - 11 - 5394=2, ~5516=1, 5349/3.1=1 HA VAL 90 - HB3 LEU 62 lone 7 99 - 7 - HA GLU 25 - HB3 LEU 62 lone 5 90 - 6 - HA GLU 25 - HB3 LEU 86 lone 3 67 - 5 - Peak 4187 from cnoeabs.peaks (4.05, 0.88, 24.48 ppm; 3.34 A): 5 out of 21 assignments used, quality = 0.91: HA GLU 59 + QD1 LEU 62 OK 57 98 - 58 - 4639=17, 5364/2.1=15...(10) HA ALA 63 + QD1 LEU 62 OK 43 96 - 45 - 4678/3.1=6, 3.0/260=6...(18) HA ALA 63 + QD1 LEU 29 OK 39 97 - 40 - 3.0/260=5, 5929/2.1=5...(17) HA GLU 59 + QD1 LEU 29 OK 30 99 - 30 - 4639=8, 4639/2.1=3...(12) HA ARG 26 + QD1 LEU 62 OK 18 86 - 21 - 3.0/5516=3, ~5962=3...(9) HA ARG 26 - QD1 LEU 29 OK 15 89 - 18 - 3.0/5516=3, 5348/3.1=2...(7) HD2 PRO 44 - QD1 LEU 62 OK 14 91 - 16 - 4401/2.1=3, 4678/3.1=2...(5) HA PHE 48 - QD1 LEU 29 OK 13 76 - 17 - 4468/2.1=3, 4463/3.1=2...(9) HA ALA 63 - QD1 LEU 86 OK 12 93 - 13 - 3.0/260=3, ~4681=1, 5349/2.1=1 HA ARG 71 - QD1 LEU 29 OK 12 73 - 16 - 5348/3.1=2, 2.9/5367=2...(8) HA GLU 59 - QD1 LEU 86 OK 12 96 - 12 - 4639=3, 4638/2.1=1 HA VAL 90 - QD1 LEU 29 OK 11 73 - 15 - 5348/3.1=2, 5929/2.1=2...(6) HD2 PRO 44 - QD1 LEU 29 OK 10 93 - 11 - ~4405=1, 4925/3.1=1...(5) HA PHE 48 - QD1 LEU 62 OK 10 74 - 14 - 4679/2.1=3, 4678/3.1=2...(5) HA ARG 71 - QD1 LEU 62 poor 10 71 - 14 - 4805=1, 4677/4.0=1...(5) HA VAL 90 - QD1 LEU 86 poor 9 68 - 13 - ~414=2, 3.0/886=2...(7) HA PHE 48 - QD1 LEU 86 poor 7 71 - 10 - 4468/2.1=2, 4464/2.1=1 HA ARG 26 - QD1 LEU 86 lone 7 84 - 8 - 3.0/5516=1 HA ARG 71 - QD1 LEU 86 lone 6 68 - 8 - HD2 PRO 44 - QD1 LEU 86 lone 4 89 - 5 - HA VAL 90 - QD1 LEU 62 lone 3 71 - 4 - Peak 4188 from cnoeabs.peaks (0.85, 4.13, 53.99 ppm; 5.33 A): 4 out of 6 assignments used, quality = 0.96: QD2 LEU 29 + HA ALA 30 OK 83 100 - 83 - 2.1/4842=15, 85/3.0=13...(21) QD2 LEU 64 + HA ALA 30 OK 46 100 - 46 - 4192/3.6=10, 85/3.0=8...(12) QG2 ILE 89 + HA ALA 30 OK 36 100 - 36 - 85/3.0=6, 5536/2.1=6...(11) QD1 LEU 43 + HA ALA 30 OK 33 89 - 37 - 4192/3.6=7, 85/3.0=6...(11) QD2 LEU 86 - HA ALA 30 OK 28 93 - 31 - 85/3.0=7, ~84=5...(9) QD1 LEU 62 - HA ALA 30 OK 22 63 - 36 - ~3907=5, ~4843=5...(12) Peak 4190 from cnoeabs.peaks (4.42, 1.45, 18.15 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: HA MET 31 + QB ALA 30 OK 100 100 - 100 - 4.9=99, 3.0/88=20...(13) HA THR 58 - QB ALA 30 OK 22 92 - 24 - 555/3.6=11, 1543/6116=3...(7) Peak 4195 from cnoeabs.peaks (1.44, 1.94, 32.66 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.96: QB ALA 30 + HB2 MET 31 OK 71 99 - 72 - 4190/3.0=24, 6116/3.0=19...(10) HG12 ILE 33 + HB2 MET 31 OK 68 99 - 69 - 2.1/6120=17, ~4846=10...(14) HB3 LEU 43 + HB2 MET 31 OK 55 100 - 55 - 3.1/6121=10, 4197/3.0=8...(16) HG13 ILE 89 - HB2 MET 31 OK 31 100 - 31 - 3.2/6121=5, 4197/3.0=4...(12) HG3 LYS 13 - HB2 MET 31 OK 11 87 - 12 - 4197/3.0=1, 88/4.0=1...(6) HG2 LYS 13 - HB2 MET 31 lone 9 92 - 10 - 4197/3.0=1 HG3 LYS 85 - HB2 MET 31 lone 6 92 - 6 - Peak 4196 from cnoeabs.peaks (1.45, 2.07, 32.66 ppm; 4.89 A): 4 out of 27 assignments used, quality = 0.99: QB ALA 30 + HB3 MET 31 OK 76 100 - 76 - 4190/3.0=27, 6116/3.0=21...(9) HG12 ILE 33 + HB3 MET 31 OK 74 100 - 74 - 2.1/4846=15, ~6120=14...(15) HB3 LEU 57 + HB3 MET 31 OK 63 78 - 81 - 3.1/4846=15, 4601/3.0=13...(22) HB3 LEU 43 + HB3 MET 31 OK 58 98 - 59 - 4195/1.8=9, 4197/3.0=8...(14) HB3 LEU 43 - HB3 PRO 44 OK 39 43 - 91 - 4378/3.0=30, ~4398=15...(22) HG13 ILE 89 - HB3 MET 31 OK 33 99 - 34 - 4195/1.8=5, 4197/3.0=4...(12) HG3 LYS 13 - HB3 MET 31 OK 15 97 - 15 - 4195/1.8=2, 88/4.0=1...(8) HG3 LYS 13 - HB3 PRO 44 OK 13 43 - 30 - 4400/3.0=5, ~4403=5...(10) HG2 LYS 13 - HB3 MET 31 poor 9 76 - 12 - 4195/1.8=2, 4197/3.0=1...(5) HG2 LYS 13 - HB3 PRO 44 poor 9 29 - 30 - 4403/3.0=6, 4400/3.0=5...(10) HB3 LEU 52 - HB3 MET 31 poor 9 65 - 13 - 5071/4.3=2, 5541/4.7=2...(4) QB ALA 30 - HB VAL 76 poor 9 65 - 13 - ~4841=2, 4.9/1537=2...(4) HG13 ILE 89 - HB3 PRO 44 poor 7 45 - 17 - 4403/3.0=4, 4400/3.0=4...(4) HG3 LYS 85 - HB3 MET 31 lone 7 99 - 7 - HG12 ILE 33 - HB3 PRO 44 poor 6 46 - 13 - ~4224=3, 4400/3.0=2...(4) QB ALA 30 - HB3 PRO 44 poor 6 47 - 13 - 3.6/557=2, 4.9/1527=2...(4) HB3 LEU 43 - HB VAL 76 lone 6 61 - 9 - HB3 LEU 57 - HB VAL 76 poor 5 44 - 12 - 4599/2.1=2, 4599/2.1=2...(4) HG12 ILE 33 - HB VAL 76 lone 5 65 - 7 - 2.1/4846=1 HG3 LYS 85 - HB3 PRO 44 poor 5 45 - 10 - 4400/3.0=2, 4403/3.0=2...(4) HB3 LEU 57 - HB3 PRO 44 poor 5 30 - 15 - ~5954=3, ~5215=2...(5) HG3 LYS 85 - HB VAL 76 lone 4 62 - 6 - HG13 ILE 89 - HB VAL 76 lone 3 62 - 5 - 3626/16037=1 HB3 LEU 52 - HB VAL 76 lone 3 35 - 7 - 4.6/5698=1 HG3 LYS 13 - HB VAL 76 lone 2 60 - 3 - HG2 LYS 13 - HB VAL 76 lone 1 42 - 3 - HB3 LEU 52 - HB3 PRO 44 lone 1 24 - 3 - Peak 4197 from cnoeabs.peaks (1.44, 2.63, 32.57 ppm; 4.43 A): 3 out of 7 assignments used, quality = 0.97: QB ALA 30 + HG2 MET 31 OK 73 97 - 75 - 6116=26, 5305/1.8=20...(13) HG12 ILE 33 + HG2 MET 31 OK 66 98 - 67 - 2.1/4847=15, ~4225=12...(16) HB3 LEU 43 + HG2 MET 31 OK 64 100 - 64 - 3.1/4198=9, 3.0/5190=8...(23) HG13 ILE 89 - HG2 MET 31 OK 31 100 - 31 - 3.2/4198=5, 4195/3.0=4...(13) HG2 LYS 13 - HG2 MET 31 OK 11 96 - 12 - ~4199=1, 4195/3.0=1 HG3 LYS 13 - HG2 MET 31 OK 10 81 - 13 - 4199/1.8=1, 4195/3.0=1...(4) HG3 LYS 85 - HG2 MET 31 lone 5 87 - 6 - Peak 4198 from cnoeabs.peaks (0.84, 2.63, 32.57 ppm; 3.83 A): 6 out of 7 assignments used, quality = 0.95: QD2 LEU 64 + HG2 MET 31 OK 70 99 - 71 - 5021=23, 5311/1.8=12...(21) QD1 LEU 43 + HG2 MET 31 OK 56 99 - 57 - 4200/1.8=10, 5074/3.3=8...(18) QG2 ILE 89 + HG2 MET 31 OK 27 100 - 27 - 4200/1.8=5, 6121/3.0=4...(9) QD2 LEU 29 + HG2 MET 31 OK 26 99 - 27 - 4200/1.8=5, 6121/3.0=4...(8) QD1 ILE 89 + HG2 MET 31 OK 14 68 - 21 - 2.1/4197=3, ~4200=3...(10) QD2 LEU 86 + HG2 MET 31 OK 12 100 - 12 - 4200/1.8=2, 6121/3.0=2...(5) QG2 ILE 68 - HG2 MET 31 lone 6 63 - 10 - 3.2/1544=1, 6121/3.0=1 Peak 4199 from cnoeabs.peaks (1.45, 2.52, 32.57 ppm; 4.54 A): 4 out of 9 assignments used, quality = 0.99: QB ALA 30 + HG3 MET 31 OK 77 100 - 77 - 5305=27, 6116/1.8=23...(10) HG12 ILE 33 + HG3 MET 31 OK 70 100 - 70 - 2.1/4225=16, ~4847=11...(15) HB3 LEU 57 + HG3 MET 31 OK 64 78 - 81 - 4601=17, 1.8/4600=14...(22) HB3 LEU 43 + HG3 MET 31 OK 62 98 - 64 - 3.1/4200=10, 4197/1.8=9...(20) HG13 ILE 89 - HG3 MET 31 OK 30 99 - 30 - 3.2/4200=5, 4197/1.8=4...(12) HG3 LYS 13 - HG3 MET 31 OK 14 97 - 14 - 4197/1.8=2, 5071/3.3=1...(6) HB3 LEU 52 - HG3 MET 31 OK 11 65 - 17 - ~5078=2, 5071/3.3=2...(6) HG2 LYS 13 - HG3 MET 31 poor 9 76 - 12 - 4197/1.8=2, ~4197=1...(4) HG3 LYS 85 - HG3 MET 31 lone 6 99 - 6 - Peak 4200 from cnoeabs.peaks (0.84, 2.52, 32.57 ppm; 4.08 A): 5 out of 5 assignments used, quality = 0.95: QD2 LEU 64 + HG3 MET 31 OK 72 100 - 72 - 5021/1.8=20, 5311=15...(19) QD1 LEU 43 + HG3 MET 31 OK 59 96 - 62 - 4198/1.8=11, 5074/3.3=9...(19) QG2 ILE 89 + HG3 MET 31 OK 30 100 - 30 - 4198/1.8=5, 6121/3.0=4...(10) QD2 LEU 29 + HG3 MET 31 OK 28 100 - 28 - 4198/1.8=5, 6121/3.0=4...(9) QD2 LEU 86 + HG3 MET 31 OK 13 98 - 13 - 4198/1.8=2, 6121/3.0=2...(5) Peak 4201 from cnoeabs.peaks (3.95, 2.63, 32.57 ppm; 4.56 A): 3 out of 12 assignments used, quality = 0.97: HA GLN 61 + HG2 MET 31 OK 83 97 - 86 - 3.0/1547=14, 5232/3.3=12...(29) HA ALA 28 + HG2 MET 31 OK 66 100 - 66 - 5530=20, ~5533=10...(15) HA GLU 50 + HG2 MET 31 OK 39 98 - 40 - 2526/1.8=5, 3.0/1542=5...(14) HA VAL 76 - HG2 MET 31 OK 34 95 - 36 - 4202/1.8=4, 3.0/3774=4...(15) HA LYS 32 - HG2 MET 31 OK 30 78 - 39 - 3.0/3774=12, ~3773=5...(9) HA ARG 66 - HG2 MET 31 OK 26 78 - 33 - 3.0/1544=4, 3.6/3774=4...(13) HA2 GLY 21 - HG2 MET 31 OK 18 100 - 18 - 4202/1.8=2, 4203/3.0=2...(9) HA3 GLY 21 - HG2 MET 31 OK 18 100 - 18 - 4202/1.8=2, 4203/3.0=2...(8) HA THR 37 - HG2 MET 31 poor 10 85 - 11 - 3.6/590=1, 4202/1.8=1 HA2 GLY 72 - HG2 MET 31 lone 10 99 - 10 - 4193/4.7=1, 4202/1.8=1 HA3 GLY 18 - HG2 MET 31 lone 2 68 - 2 - HA2 GLY 18 - HG2 MET 31 lone 2 65 - 2 - Peak 4202 from cnoeabs.peaks (3.96, 2.52, 32.57 ppm; 4.72 A): 2 out of 10 assignments used, quality = 0.97: HA GLN 61 + HG3 MET 31 OK 92 99 - 92 - 3.0/711=17, 3.0/2542=16...(31) HA ALA 28 + HG3 MET 31 OK 67 100 - 67 - 5530/1.8=22, 2.1/5533=11...(15) HA GLU 50 - HG3 MET 31 OK 45 100 - 45 - 2526=6, 4201/1.8=5...(16) HA VAL 76 - HG3 MET 31 OK 38 98 - 39 - 4201/1.8=4, 3.0/3775=4...(15) HA LYS 32 - HG3 MET 31 OK 35 87 - 40 - ~3774=9, ~3773=6...(10) HA ARG 66 - HG3 MET 31 OK 30 87 - 35 - 3.0/1550=4, 3.6/3775=4...(13) HA2 GLY 21 - HG3 MET 31 OK 20 99 - 20 - 4201/1.8=2, 4151/3.0=2...(8) HA3 GLY 21 - HG3 MET 31 OK 20 99 - 20 - 4201/1.8=2, 4151/3.0=2...(8) HA2 GLY 72 - HG3 MET 31 OK 11 100 - 11 - 4193/4.7=1, 4201/1.8=1...(4) HA THR 37 - HG3 MET 31 OK 10 76 - 13 - 1808/248=1, 4201/1.8=1 Peak 4203 from cnoeabs.peaks (3.95, 1.94, 32.66 ppm; 4.37 A): 3 out of 12 assignments used, quality = 0.95: HA GLN 61 + HB2 MET 31 OK 77 97 - 79 - 3.0/1535=15, 5232/4.3=9...(26) HA ALA 28 + HB2 MET 31 OK 66 100 - 66 - 5530/3.0=16, 4176=11...(16) HA GLU 50 + HB2 MET 31 OK 40 98 - 41 - 3.0/1530=4, 2526/3.0=4...(18) HA LYS 32 - HB2 MET 31 OK 34 78 - 44 - ~90=14, 3.6/5181=7...(10) HA VAL 76 - HB2 MET 31 OK 32 95 - 34 - 3.0/3772=3, 4201/3.0=3...(15) HA ARG 66 - HB2 MET 31 OK 26 78 - 33 - 3.6/3772=4, 2677=3...(16) HA2 GLY 21 - HB2 MET 31 OK 16 100 - 16 - 4151/1.8=2, 4201/3.0=2...(8) HA3 GLY 21 - HB2 MET 31 OK 16 100 - 16 - 4151/1.8=2, 4201/3.0=2...(8) HA2 GLY 72 - HB2 MET 31 OK 11 99 - 11 - 4193/4.0=1 HA THR 37 - HB2 MET 31 poor 9 85 - 11 - HA3 GLY 18 - HB2 MET 31 lone 2 68 - 2 - HA2 GLY 18 - HB2 MET 31 lone 1 65 - 2 - Peak 4206 from cnoeabs.peaks (6.81, 3.89, 56.86 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.93: HE22 GLN 61 + HA ILE 33 OK 76 93 - 82 - 1.7/5545=24, 4655/3.8=20...(16) QE TYR 55 + HA ILE 33 OK 70 100 - 70 - 5719=14, 4213/4.1=13...(19) Peak 4207 from cnoeabs.peaks (6.93, 0.31, 17.04 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.96: QE PHE 35 + QG2 ILE 33 OK 86 95 - 91 - 4583=38, 2.2/4208=29...(28) HZ PHE 35 + QG2 ILE 33 OK 73 93 - 78 - 2.2/4583=30, 3.8/4208=21...(21) HZ PHE 48 - QG2 ILE 33 OK 31 90 - 34 - 4596=8, 4717/4727=4...(15) HD22 ASN 42 - QG2 ILE 33 OK 10 99 - 10 - 4317/4300=2, 4286/4285=1 HD22 ASN 74 - QG2 ILE 33 lone 1 60 - 1 - Peak 4208 from cnoeabs.peaks (6.63, 0.31, 17.04 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.83: QD PHE 35 + QG2 ILE 33 OK 83 87 - 96 - 2.2/4583=36, 4.5/4248=31...(30) Peak 4209 from cnoeabs.peaks (6.30, 0.31, 17.04 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.78: H PHE 35 + QG2 ILE 33 OK 78 96 - 81 - 4248=48, 4.5/4208=13...(19) Peak 4210 from cnoeabs.peaks (7.44, 0.71, 10.77 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.91: HE21 GLN 61 + QD1 ILE 33 OK 76 93 - 82 - 4669=24, 1.7/4672=20...(19) H LEU 52 + QD1 ILE 33 OK 43 92 - 47 - 5545/4.1=7, 3.9/5196=6...(16) H LEU 64 + QD1 ILE 33 OK 31 71 - 43 - 4.6/5795=11, 4.0/5026=10...(9) Peak 4211 from cnoeabs.peaks (8.38, 0.71, 10.77 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.79: H VAL 65 + QD1 ILE 33 OK 74 99 - 75 - 5795=28, 4.0/4725=20...(13) H GLY 21 + QD1 ILE 33 OK 19 97 - 20 - 2.9/4227=3, 2.9/4227=3...(11) H ARG 17 - QD1 ILE 33 lone 9 100 - 9 - 3916/5026=1, 3915/5025=1 H GLY 18 - QD1 ILE 33 poor 8 68 - 12 - 2669/4725=1 H ALA 16 - QD1 ILE 33 lone 6 81 - 7 - ~5557=2, 20/2.1=1 Peak 4212 from cnoeabs.peaks (6.95, 0.71, 10.77 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 ILE 33 OK 96 100 - 96 - 4583/3.2=40, 2.2/5551=26...(32) HZ PHE 35 + QD1 ILE 33 OK 87 100 - 87 - 2.2/4579=25, ~4583=24...(24) HZ PHE 48 - QD1 ILE 33 OK 43 100 - 43 - 4596/3.2=10, 4593=7...(14) HD22 ASN 42 - QD1 ILE 33 OK 14 97 - 14 - 4207/3.2=2, 5.7/5550=1 Peak 4213 from cnoeabs.peaks (6.81, 0.71, 10.77 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.93: HE22 GLN 61 + QD1 ILE 33 OK 82 93 - 88 - 1.7/4669=23, 4672=22...(26) QE TYR 55 + QD1 ILE 33 OK 62 100 - 62 - 2.2/4636=17, 4206/4.1=11...(16) Peak 4214 from cnoeabs.peaks (3.54, 0.31, 17.04 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 34 + QG2 ILE 33 OK 99 100 - 100 - 4.1=92, 1.8/4215=35...(40) HA ILE 68 - QG2 ILE 33 OK 14 63 - 23 - 4.1/5376=17, ~4749=2...(4) Peak 4215 from cnoeabs.peaks (2.73, 0.31, 17.04 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.98: HD2 PRO 34 + QG2 ILE 33 OK 98 100 - 98 - 4.1=70, 1.8/4214=28...(39) HB2 ASN 80 - QG2 ILE 33 OK 12 76 - 16 - 4216/3.2=3, 1698/4.1=3...(6) HB2 ASP 46 - QG2 ILE 33 lone 6 65 - 9 - 4851/3.2=2, 4216/3.2=1...(5) Peak 4216 from cnoeabs.peaks (2.72, 3.89, 56.86 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.97: HD2 PRO 34 + HA ILE 33 OK 97 100 - 97 - 3.8=85, 1.8/4217=27...(27) HB2 ASN 80 - HA ILE 33 OK 13 83 - 16 - 1698/3.8=3, 4215/3.2=3...(6) HB2 ASP 46 - HA ILE 33 lone 6 73 - 8 - 4215/3.2=1, 1698/3.8=1...(4) Peak 4217 from cnoeabs.peaks (3.54, 3.89, 56.86 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.96: HD3 PRO 34 + HA ILE 33 OK 93 100 - 93 - 3.8=75, 1.8/4216=28...(25) HD3 PRO 36 + HA ILE 33 OK 40 68 - 58 - 4.8/5546=8, 1692/3.8=7...(21) Peak 4219 from cnoeabs.peaks (1.33, 1.77, 36.30 ppm; 3.82 A): 4 out of 7 assignments used, quality = 0.94: QB ALA 28 + HB ILE 33 OK 73 98 - 74 - 4179/2.1=30, 5303/3.9=20...(16) HB2 LEU 52 + HB ILE 33 OK 50 99 - 50 - 5195/2.1=7, 5196/3.2=6...(25) HB2 LEU 51 + HB ILE 33 OK 44 99 - 45 - 5195/2.1=6, 3.0/1652=6...(17) HG3 LYS 32 + HB ILE 33 OK 27 100 - 28 - 100/3.9=5, 5195/2.1=3...(9) HG2 ARG 54 - HB ILE 33 OK 20 76 - 27 - 4570/3.0=3, 2325=2...(12) QG2 THR 58 - HB ILE 33 poor 9 89 - 11 - 4.0/227=3, 5196/3.2=2 QB ALA 12 - HB ILE 33 lone 3 100 - 3 - Peak 4220 from cnoeabs.peaks (1.02, 0.31, 17.04 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.97: QD1 ILE 40 + QG2 ILE 33 OK 75 99 - 76 - 4300=43, 4852/3.2=8...(24) HG3 PRO 34 + QG2 ILE 33 OK 73 81 - 91 - 2.3/4215=27, 2.3/4214=25...(38) QD1 LEU 57 + QG2 ILE 33 OK 55 65 - 84 - 2.1/4612=26, 4221/3.2=13...(36) Peak 4221 from cnoeabs.peaks (1.00, 0.71, 10.77 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.92: QD1 LEU 57 + QD1 ILE 33 OK 87 98 - 89 - 4861=22, 2.1/2454=16...(39) QD1 ILE 40 + QD1 ILE 33 OK 35 68 - 52 - 4300/3.2=17, 3.2/4224=6...(15) QG1 VAL 45 - QD1 ILE 33 poor 9 85 - 11 - 2455/2454=1, 2448/2447=1...(4) Peak 4222 from cnoeabs.peaks (1.69, 0.71, 10.77 ppm; 3.55 A): 6 out of 12 assignments used, quality = 0.85: HB3 GLN 61 + QD1 ILE 33 OK 49 68 - 72 - 1.8/4225=15, 4663=13...(21) HB3 LEU 64 + QD1 ILE 33 OK 46 96 - 48 - 5026=9, 1.8/5025=9...(13) HB3 LYS 13 + QD1 ILE 33 OK 19 100 - 19 - 3.0/1683=2, 1014/2.1=2...(5) HD2 LYS 13 + QD1 ILE 33 OK 13 83 - 15 - 2.9/1683=2, 2.9/1683=2 HD3 LYS 13 + QD1 ILE 33 OK 13 83 - 15 - 2.9/1683=2, 2.9/1683=2 HG LEU 29 + QD1 ILE 33 OK 11 97 - 11 - 2.1/6122=3, ~5560=1 HG3 ARG 66 - QD1 ILE 33 poor 10 97 - 10 - 2.8/4223=2, 4.1/4227=1 HB2 ARG 82 - QD1 ILE 33 lone 4 98 - 4 - HD3 LYS 75 - QD1 ILE 33 lone 3 81 - 4 - HD2 LYS 75 - QD1 ILE 33 lone 3 81 - 4 - HG2 ARG 70 - QD1 ILE 33 lone 3 76 - 4 - HG2 ARG 23 - QD1 ILE 33 lone 2 92 - 3 - Peak 4223 from cnoeabs.peaks (1.95, 0.71, 10.77 ppm; 3.69 A): 3 out of 9 assignments used, quality = 0.96: HG LEU 57 + QD1 ILE 33 OK 87 98 - 89 - 2.1/4221=23, 2454=22...(33) HB2 MET 31 + QD1 ILE 33 OK 58 97 - 59 - 6120=10, 3.0/4225=10...(16) HB2 LEU 64 + QD1 ILE 33 OK 35 68 - 51 - 1.8/4222=10, 4.4/5795=9...(14) HG13 ILE 68 - QD1 ILE 33 OK 17 78 - 22 - ~5376=11, 3.2/6122=2...(6) HB3 ARG 66 - QD1 ILE 33 OK 15 100 - 15 - 4.6/1679=3, 2.8/4222=2...(6) HB VAL 41 - QD1 ILE 33 poor 9 90 - 10 - HB3 ARG 70 - QD1 ILE 33 lone 6 98 - 6 - HB2 ARG 70 - QD1 ILE 33 lone 6 98 - 6 - HB2 GLN 79 - QD1 ILE 33 lone 2 81 - 3 - Peak 4224 from cnoeabs.peaks (2.15, 0.71, 10.77 ppm; 3.78 A): 4 out of 4 assignments used, quality = 0.88: HG3 GLN 61 + QD1 ILE 33 OK 68 90 - 75 - 1.8/5322=17, 4666=15...(17) HB ILE 40 + QD1 ILE 33 OK 36 78 - 45 - ~4300=10, 3.2/4221=7...(18) HB2 PRO 36 + QD1 ILE 33 OK 31 81 - 39 - 3.0/4226=8, 3.0/1680=8...(12) HG3 PRO 44 + QD1 ILE 33 OK 14 100 - 14 - 4068/4669=2, 4076/4672=1...(5) Peak 4225 from cnoeabs.peaks (2.54, 0.71, 10.77 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.93: HB2 GLN 61 + QD1 ILE 33 OK 80 96 - 84 - 4662=21, 1.8/4663=19...(25) HG3 MET 31 + QD1 ILE 33 OK 63 93 - 68 - 1.8/5322=14, 3.3/5075=12...(25) HB3 ASP 46 - QD1 ILE 33 lone 9 98 - 9 - 1.8/4851=2, 4445/4221=1, ~4215=1 HB2 ASP 24 - QD1 ILE 33 lone 6 90 - 7 - 5533/4178=1, 1.8/5322=1 Peak 4226 from cnoeabs.peaks (3.55, 0.71, 10.77 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.98: HD3 PRO 34 + QD1 ILE 33 OK 96 100 - 96 - 4.1/1682=37, 1.8/4851=36...(27) HD3 PRO 36 + QD1 ILE 33 OK 62 81 - 77 - 4.8/5351=20, 1.8/1680=12...(21) Peak 4227 from cnoeabs.peaks (3.96, 0.71, 10.77 ppm; 3.45 A): 4 out of 12 assignments used, quality = 0.94: HA GLN 61 + QD1 ILE 33 OK 70 99 - 71 - 4503=13, 3.0/4225=11...(22) HA ALA 28 + QD1 ILE 33 OK 60 100 - 60 - 2.1/4178=14, 4174=13...(12) HA THR 37 + QD1 ILE 33 OK 32 81 - 39 - 5597/3.2=10, ~4285=8...(10) HA LYS 32 + QD1 ILE 33 OK 30 83 - 37 - 3.6/1679=16, 5543/2.1=3...(8) HA2 GLY 21 - QD1 ILE 33 OK 16 100 - 16 - 2.9/4211=3, 4228/2.1=1 HA3 GLY 21 - QD1 ILE 33 OK 16 99 - 16 - 2.9/4211=3, 4228/2.1=1 HA GLU 50 - QD1 ILE 33 OK 15 99 - 15 - 4503=3, 3.0/5550=1 HA ARG 66 - QD1 ILE 33 OK 15 83 - 18 - 3.6/1679=3, 4734/2.1=2...(5) HA VAL 76 - QD1 ILE 33 lone 8 97 - 8 - HA2 GLY 72 - QD1 ILE 33 lone 5 99 - 5 - HA3 GLY 18 - QD1 ILE 33 lone 5 63 - 8 - 3.0/4211=1 HA2 GLY 18 - QD1 ILE 33 lone 5 60 - 8 - 3.0/4211=1 Peak 4228 from cnoeabs.peaks (3.94, 1.22, 27.27 ppm; 3.97 A): 4 out of 22 assignments used, quality = 0.94: HA ALA 28 + HG13 ILE 33 OK 66 96 - 69 - 4174/2.1=16, ~4179=16...(14) HA GLN 61 + HG13 ILE 33 OK 55 85 - 65 - 4503/2.1=13, ~4225=9...(18) HA THR 37 + HG13 ILE 33 OK 48 97 - 49 - 5597/3.2=17, ~4285=11...(11) HA LEU 62 + HG13 ILE 33 OK 29 78 - 37 - ~4673=7, 6070/2.1=6...(12) HA VAL 76 - HG2 ARG 69 OK 24 42 - 56 - ~3944=5, 5435/1.8=5...(28) HA3 GLY 21 - HG13 ILE 33 OK 17 100 - 17 - ~4211=2, 4227/2.1=2...(9) HA2 GLY 21 - HG13 ILE 33 OK 17 99 - 17 - ~4211=2, 4227/2.1=2...(9) HA2 GLY 72 - HG2 ARG 69 OK 16 50 - 32 - 5844/3.0=7, ~2816=4...(9) HA GLU 50 - HG2 ARG 69 OK 12 49 - 25 - 4502/1.8=4, 4502/3.0=3...(12) HA GLU 50 - HG13 ILE 33 poor 10 87 - 11 - 4503/2.1=3, ~5550=1, 4230/1.8=1 HA3 GLY 18 - HG13 ILE 33 lone 9 89 - 9 - 4854/3.2=1, 4229/3.0=1 HA2 GLY 18 - HG13 ILE 33 lone 8 87 - 9 - 4854/3.2=1, 4229/3.0=1 HA ALA 28 - HG2 ARG 69 poor 6 56 - 10 - 4172=2 HA3 GLY 21 - HG2 ARG 69 lone 5 62 - 8 - HA2 GLY 21 - HG2 ARG 69 lone 5 61 - 8 - HA2 GLY 72 - HG13 ILE 33 lone 5 89 - 6 - HA THR 37 - HG2 ARG 69 lone 5 58 - 8 - 4266/606=1, 4279/1962=1 HA VAL 76 - HG13 ILE 33 lone 5 78 - 6 - 4227/2.1=1 HA GLN 61 - HG2 ARG 69 lone 5 47 - 9 - 4502/1.8=1, 4502/3.0=1 HA LEU 62 - HG2 ARG 69 lone 4 42 - 9 - 3906/4.7=1, 4999=1 HA3 GLY 18 - HG2 ARG 69 lone 1 50 - 3 - HA2 GLY 18 - HG2 ARG 69 lone 1 49 - 3 - Peak 4229 from cnoeabs.peaks (3.94, 1.77, 36.30 ppm; 4.48 A): 4 out of 10 assignments used, quality = 0.94: HA THR 37 + HB ILE 33 OK 62 100 - 62 - 5597/2.1=26, ~4285=21...(9) HA ALA 28 + HB ILE 33 OK 58 78 - 75 - ~4179=26, 4174/3.2=14...(13) HA GLN 61 + HB ILE 33 OK 39 60 - 65 - 4503/3.2=9, ~4225=8...(19) HA LEU 62 + HB ILE 33 OK 38 96 - 40 - 6070/3.2=8, ~4673=6...(11) HA3 GLY 21 - HB ILE 33 OK 18 92 - 20 - 4854/2.1=2, ~4211=2...(11) HA2 GLY 21 - HB ILE 33 OK 18 90 - 20 - 4854/2.1=2, ~4211=2...(11) HA3 GLY 18 - HB ILE 33 OK 11 99 - 11 - 4854/2.1=2, ~4854=1 HA2 GLY 18 - HB ILE 33 OK 11 99 - 11 - 4854/2.1=2, ~4854=1 HA GLU 50 - HB ILE 33 poor 6 63 - 10 - 4503/3.2=2, ~5550=1 HA2 GLY 72 - HB ILE 33 lone 4 65 - 6 - Peak 4230 from cnoeabs.peaks (3.95, 1.44, 27.27 ppm; 4.03 A): 4 out of 26 assignments used, quality = 0.95: HA ALA 28 + HG12 ILE 33 OK 70 99 - 71 - 4174/2.1=17, ~4179=16...(16) HA GLN 61 + HG12 ILE 33 OK 59 92 - 64 - 4503/2.1=14, ~4225=9...(16) HA THR 37 + HG12 ILE 33 OK 43 93 - 46 - 5597/3.2=16, ~4285=12...(8) HA LYS 32 + HG12 ILE 33 OK 27 65 - 41 - 3.6/1665=18, 3.0/5541=5...(14) HA ALA 28 - HG13 ILE 89 OK 22 95 - 23 - 4173/3.2=4, 5928/2.1=3...(8) HA LEU 62 - HG12 ILE 33 OK 19 68 - 28 - ~4673=7, 6070/2.1=5...(7) HA3 GLY 21 - HG12 ILE 33 OK 17 100 - 17 - ~4211=2, 4227/2.1=2...(9) HA2 GLY 21 - HG12 ILE 33 OK 17 100 - 17 - ~4211=2, 4227/2.1=2...(9) HA THR 37 - HG13 ILE 89 OK 13 89 - 14 - 5597/1668=3, 4281/2.1=2...(4) HA GLU 50 - HG12 ILE 33 OK 10 93 - 11 - 4503/2.1=3, ~5550=1, 4228/1.8=1 HA2 GLY 72 - HG13 ILE 89 OK 10 90 - 11 - 4797/2.1=2, 5844/2.9=2...(5) HA ARG 66 - HG12 ILE 33 poor 10 65 - 15 - 3.6/1665=3, 4227/2.1=2...(6) HA LYS 32 - HG13 ILE 89 poor 8 61 - 13 - 3.6/1665=6, 3.0/5541=2, 5543=1 HA3 GLY 18 - HG12 ILE 33 lone 7 81 - 9 - 4854/3.2=1, ~4211=1 HA2 GLY 18 - HG12 ILE 33 lone 7 78 - 9 - 4854/3.2=1, ~4211=1 HA GLN 61 - HG13 ILE 89 lone 6 87 - 7 - 4503/1671=1 HA VAL 76 - HG12 ILE 33 lone 6 87 - 7 - 4227/2.1=1 HA2 GLY 72 - HG12 ILE 33 lone 5 95 - 5 - HA GLU 50 - HG13 ILE 89 lone 3 89 - 3 - HA VAL 76 - HG13 ILE 89 lone 3 82 - 4 - HA LEU 62 - HG13 ILE 89 lone 3 64 - 4 - HA3 GLY 21 - HG13 ILE 89 lone 2 98 - 2 - HA2 GLY 21 - HG13 ILE 89 lone 2 98 - 2 - HA ARG 66 - HG13 ILE 89 lone 2 61 - 3 - HA3 GLY 18 - HG13 ILE 89 lone 1 76 - 2 - HA2 GLY 18 - HG13 ILE 89 lone 1 74 - 2 - Peak 4231 from cnoeabs.peaks (0.70, 2.72, 50.48 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + HD2 PRO 34 OK 92 100 - 92 - 4851=34, 1682/4.1=28...(27) QD2 LEU 57 + HD2 PRO 34 OK 85 99 - 87 - 4603=37, 4605/1.8=24...(24) Peak 4232 from cnoeabs.peaks (0.30, 2.72, 50.48 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 33 + HD2 PRO 34 OK 97 97 - 100 - 4.1=100 Peak 4233 from cnoeabs.peaks (0.70, 3.54, 50.48 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.98: QD1 ILE 33 + HD3 PRO 34 OK 89 97 - 91 - 1682/4.1=28, 4851/1.8=27...(26) QD2 LEU 57 + HD3 PRO 34 OK 79 93 - 85 - 4603/1.8=28, 4605=27...(22) QD1 ILE 33 - HD3 PRO 36 OK 28 42 - 68 - 5351/4.8=14, 4226=12...(21) QD2 LEU 57 - HD3 PRO 36 OK 15 38 - 39 - 4605=9, 4606/1.8=6...(15) Peak 4234 from cnoeabs.peaks (0.30, 3.54, 50.48 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.95: QG2 ILE 33 + HD3 PRO 34 OK 95 95 - 100 - 4.1=100 QG2 ILE 33 - HD3 PRO 36 OK 31 39 - 80 - 4248/4.8=27, 1659/1.8=12...(27) Peak 4235 from cnoeabs.peaks (0.27, 4.32, 63.87 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4236 from cnoeabs.peaks (3.89, 2.72, 50.48 ppm; 3.71 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 33 + HD2 PRO 34 OK 99 100 - 99 - 3.8=96, 4217/1.8=28...(28) HD2 PRO 36 + HD2 PRO 34 OK 64 90 - 71 - 1.8/1692=13, 4.8/110=12...(30) HA LEU 51 - HD2 PRO 34 OK 29 100 - 29 - 1659/4.1=4, 4862/2.3=4...(10) HB3 SER 22 - HD2 PRO 34 OK 15 99 - 15 - 4862/2.3=2, 4238/1.8=2...(6) Peak 4238 from cnoeabs.peaks (3.89, 3.54, 50.48 ppm; 3.00 A): 3 out of 8 assignments used, quality = 0.94: HA ILE 33 + HD3 PRO 34 OK 81 100 - 81 - 3.8=50, 4216/1.8=21...(22) HD2 PRO 36 + HD3 PRO 34 OK 53 90 - 59 - 4236/1.8=7, 1765=7...(25) HD2 PRO 36 + HD3 PRO 36 OK 36 36 - 100 - 1.8=100 HA ILE 33 - HD3 PRO 36 OK 22 45 - 50 - 4217=10, 5546/4.8=6...(18) HA LEU 51 - HD3 PRO 34 OK 20 100 - 20 - 4236/1.8=3, 1659/4.1=3...(7) HB3 SER 22 - HD3 PRO 34 lone 10 99 - 9 - 4236/1.8=2, 4862/2.3=1 HA LEU 51 - HD3 PRO 36 poor 6 44 - 14 - 4258/4.8=2, 4252/3.8=1 HB3 SER 22 - HD3 PRO 36 lone 2 44 - 4 - Peak 4242 from cnoeabs.peaks (6.64, 1.76, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + HG2 PRO 34 OK 96 99 - 97 - 4243/1.8=43, 4649/2.3=26...(33) Peak 4243 from cnoeabs.peaks (6.65, 1.04, 26.58 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + HG3 PRO 34 OK 96 100 - 96 - 4242/1.8=34, 4649/2.3=23...(36) Peak 4244 from cnoeabs.peaks (6.96, 1.04, 26.58 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.98: QE PHE 35 + HG3 PRO 34 OK 90 93 - 97 - 2.2/4243=42, ~4242=29...(34) HZ PHE 35 + HG3 PRO 34 OK 77 95 - 81 - 3.8/4243=32, ~4687=13...(24) HZ PHE 48 - HG3 PRO 34 OK 44 97 - 45 - 2.2/4611=12, 5199/2.3=6...(19) HD22 ASN 42 - HG3 PRO 34 OK 14 81 - 17 - 5199/2.3=2, 4245/1.8=2...(6) Peak 4245 from cnoeabs.peaks (6.94, 1.76, 26.58 ppm; 5.37 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG2 PRO 34 OK 99 100 - 99 - 2.2/4242=45, ~4243=37...(35) HZ PHE 35 + HG2 PRO 34 OK 89 100 - 89 - 3.8/4242=36, ~4687=16...(24) HZ PHE 48 + HG2 PRO 34 OK 47 100 - 47 - ~4611=11, 5199/2.3=7...(14) HD22 ASN 42 - HG2 PRO 34 OK 17 100 - 17 - 5199/2.3=2, 4244/1.8=2...(6) Peak 4246 from cnoeabs.peaks (7.33, 1.76, 26.58 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.95: QD TYR 55 + HG2 PRO 34 OK 95 100 - 95 - 5565/1.8=36, 2.5/4859=27...(31) Peak 4247 from cnoeabs.peaks (7.33, 1.78, 30.55 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.96: QD TYR 55 + HB2 PRO 34 OK 93 100 - 93 - 4246/2.3=34, 5565/2.3=31...(27) QD TYR 55 + HB2 ARG 54 OK 46 50 - 92 - 687/4.6=28, 5703/4.1=27...(23) QD TYR 55 - HB3 LYS 32 OK 28 63 - 44 - 4662/3.0=5, 4663/2.9=4...(21) QD TYR 55 - HB2 LYS 32 OK 28 63 - 44 - 4662/3.0=5, 4663/2.9=4...(21) QD TYR 55 - HB3 ARG 82 lone 9 90 - 9 - 4634/2.9=1 QD TYR 55 - HB3 ARG 84 lone 4 69 - 6 - 5950/3.0=1, 5950/3.0=1 Peak 4251 from cnoeabs.peaks (3.56, 4.99, 52.48 ppm; 3.27 A): 2 out of 3 assignments used, quality = 0.96: HD3 PRO 36 + HA PHE 35 OK 91 97 - 93 - 3.8=65, 1.8/4263=36...(17) HD3 PRO 34 + HA PHE 35 OK 59 90 - 65 - 4264=11, ~110=9...(18) HA VAL 41 - HA PHE 35 lone 4 78 - 6 - 1765/3.8=3 Peak 4252 from cnoeabs.peaks (3.87, 4.99, 52.48 ppm; 3.11 A): 3 out of 6 assignments used, quality = 0.93: HD2 PRO 36 + HA PHE 35 OK 88 100 - 89 - 3.8=56, 1.8/4264=23...(17) HA ILE 33 + HA PHE 35 OK 33 78 - 42 - 3.8/4251=7, ~4248=6...(11) HA LEU 51 + HA PHE 35 OK 16 68 - 23 - 4.0/5682=11, 4258/3.0=3...(6) HB3 SER 22 - HA PHE 35 lone 3 65 - 4 - HB3 SER 60 - HA PHE 35 lone 1 71 - 1 - HB2 SER 60 - HA PHE 35 lone 1 71 - 1 - Peak 4257 from cnoeabs.peaks (3.56, 2.91, 38.77 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.99: HD3 PRO 36 + HB3 PHE 35 OK 96 100 - 97 - 4.8=54, 1.8/5577=26...(21) HD3 PRO 34 + HB3 PHE 35 OK 66 81 - 82 - ~4243=16, 4598/2.6=15...(20) HA VAL 41 - HB3 PHE 35 lone 6 89 - 6 - 1765/4.8=3, 5570/1.8=1 Peak 4258 from cnoeabs.peaks (3.88, 2.91, 38.77 ppm; 4.17 A): 3 out of 4 assignments used, quality = 1.00: HD2 PRO 36 + HB3 PHE 35 OK 98 100 - 99 - 4.8=66, 4263/3.0=39...(23) HA ILE 33 + HB3 PHE 35 OK 67 96 - 70 - ~4567=16, 5546/4.0=14...(12) HA LEU 51 + HB3 PHE 35 OK 50 90 - 56 - 4.0/5353=21, 4.0/4865=20...(10) HB3 SER 22 - HB3 PHE 35 poor 9 89 - 11 - 4599/2.6=2, 2245/5353=2...(5) Peak 4259 from cnoeabs.peaks (1.04, 6.65, 132.92 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QD PHE 35 OK 97 98 - 99 - 4318=50, 2.1/4320=39...(32) HG3 PRO 34 + QD PHE 35 OK 97 97 - 99 - 4243=49, 1.8/4242=44...(36) Peak 4260 from cnoeabs.peaks (2.86, 3.87, 50.78 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.95: HB2 PHE 35 + HD2 PRO 36 OK 95 100 - 95 - 4.8=49, 3.0/4263=34...(19) HB3 ASP 67 - HD2 PRO 36 OK 19 87 - 21 - 1737/3.8=5, 1749/4.8=4...(6) HB3 PHE 48 - HD2 PRO 36 OK 14 73 - 18 - 1742/3.8=4, 4874/1.8=4...(8) Peak 4261 from cnoeabs.peaks (1.56, 3.87, 50.78 ppm; 4.70 A): 3 out of 11 assignments used, quality = 0.97: HG2 LYS 39 + HD2 PRO 36 OK 76 92 - 83 - 5208/1.8=22, 4893/2.3=13...(27) HD3 LYS 39 + HD2 PRO 36 OK 65 85 - 77 - ~5208=15, ~5207=10...(26) HD2 LYS 39 + HD2 PRO 36 OK 64 83 - 77 - ~5208=15, ~5207=10...(26) HB3 ARG 54 - HD2 PRO 36 OK 26 92 - 28 - 4569=3, 1.8/4568=3...(15) HG3 ARG 54 - HD2 PRO 36 OK 25 95 - 26 - 3.0/4569=2, 4262/1.8=2...(13) HG LEU 62 - HD2 PRO 36 OK 14 100 - 14 - 4875/3.0=2, 5585/3.0=2 HB3 LEU 62 - HD2 PRO 36 poor 8 71 - 11 - ~4875=1, 4875/3.0=1 HB3 LEU 86 - HD2 PRO 36 lone 6 100 - 6 - HG LEU 64 - HD2 PRO 36 lone 4 76 - 5 - HB3 LEU 29 - HD2 PRO 36 lone 3 89 - 4 - HG3 ARG 23 - HD2 PRO 36 lone 3 78 - 4 - Peak 4262 from cnoeabs.peaks (1.57, 3.57, 50.78 ppm; 4.48 A): 3 out of 26 assignments used, quality = 0.97: HD3 LYS 39 + HD3 PRO 36 OK 75 98 - 77 - 3.0/5208=18, 3.0/5207=11...(27) HD2 LYS 39 + HD3 PRO 36 OK 75 97 - 77 - 3.0/5208=18, 3.0/5207=11...(27) HG2 LYS 39 + HD3 PRO 36 OK 57 71 - 80 - 5208=16, 1.8/5207=12...(28) HG3 ARG 54 - HD3 PRO 36 OK 23 100 - 23 - 4261/1.8=3, ~4569=2...(10) HB3 LEU 51 - HD3 PRO 36 OK 19 68 - 28 - ~2245=5, ~2238=4...(9) HB3 ARG 54 - HD3 PRO 36 OK 15 71 - 20 - 4261/1.8=3, ~4568=2...(10) HD3 LYS 39 - HD3 PRO 34 OK 13 42 - 32 - 3.0/5207=4, 5209=3...(13) HD2 LYS 39 - HD3 PRO 34 OK 13 42 - 32 - 3.0/5207=4, 1.8/5209=3...(12) HG3 ARG 54 - HD3 PRO 34 OK 12 45 - 27 - 4572/3.8=3, ~2325=2...(13) HG LEU 62 - HD3 PRO 36 OK 12 99 - 12 - 4875/3.0=2, 4261/1.8=2 HG2 LYS 39 - HD3 PRO 34 OK 10 26 - 40 - 1.8/5207=5, 5939/4598=3...(17) HB3 LEU 62 - HD3 PRO 36 poor 10 92 - 10 - ~4875=1, ~4261=1 HB3 LEU 51 - HD3 PRO 34 poor 7 25 - 30 - 2224/3.8=5, ~4862=5...(10) HB3 ARG 54 - HD3 PRO 34 poor 7 26 - 29 - 4569/3.8=3, 2317/2.3=2...(13) HB3 LEU 86 - HD3 PRO 34 poor 7 42 - 16 - ~5558=3, ~1721=3...(6) HB3 LEU 86 - HD3 PRO 36 lone 5 97 - 5 - HB3 LEU 29 - HD3 PRO 36 lone 4 99 - 4 - HG LEU 62 - HD3 PRO 34 lone 3 43 - 8 - HB3 LEU 62 - HD3 PRO 34 lone 3 37 - 9 - ~4862=1 HG LEU 86 - HD3 PRO 36 lone 3 71 - 4 - HG3 ARG 84 - HD3 PRO 36 lone 2 83 - 2 - HG2 ARG 84 - HD3 PRO 36 lone 2 83 - 2 - HG2 ARG 84 - HD3 PRO 34 lone 2 32 - 5 - HG3 ARG 84 - HD3 PRO 34 lone 2 32 - 5 - HG LEU 86 - HD3 PRO 34 lone 1 26 - 5 - HB3 LEU 29 - HD3 PRO 34 lone 1 43 - 3 - Peak 4263 from cnoeabs.peaks (4.99, 3.87, 50.78 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.90: HA PHE 35 + HD2 PRO 36 OK 90 100 - 90 - 3.8=59, 4264/1.8=24...(17) Peak 4264 from cnoeabs.peaks (4.98, 3.57, 50.78 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.95: HA PHE 35 + HD3 PRO 36 OK 93 99 - 94 - 3.8=70, 4263/1.8=37...(17) HA PHE 35 + HD3 PRO 34 OK 29 43 - 68 - 4251=18, ~110=9, ~5553=9...(16) Peak 4265 from cnoeabs.peaks (4.98, 2.10, 27.61 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.98: HA PHE 35 + HG3 PRO 36 OK 88 95 - 93 - 4263/2.3=38, 4264/2.3=31...(21) HA PHE 35 + HG2 PRO 36 OK 88 94 - 93 - 4263/2.3=38, 4264/2.3=31...(21) HA PHE 35 - HG3 PRO 56 OK 11 65 - 17 - 5573=3, 3.8/1762=2...(9) Peak 4266 from cnoeabs.peaks (7.24, 3.94, 64.91 ppm; 4.22 A): 1 out of 4 assignments used, quality = 0.77: H ILE 40 + HA THR 37 OK 77 100 - 78 - 4308=18, 4888/3.6=17...(15) H ALA 53 - HA THR 37 poor 9 73 - 12 - 204/3.2=2, 4657/4267=1...(4) H ASP 47 - HA THR 37 poor 7 73 - 10 - 4888/3.6=3 HE ARG 54 - HA THR 37 lone 7 81 - 9 - 4888/3.6=3, 4657/4267=1 Peak 4267 from cnoeabs.peaks (6.65, 3.94, 64.91 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.72: QD PHE 35 + HA THR 37 OK 72 100 - 72 - 4270/3.2=33, 2.2/4268=12...(13) Peak 4268 from cnoeabs.peaks (6.93, 3.94, 64.91 ppm; 5.35 A): 3 out of 5 assignments used, quality = 0.94: QE PHE 35 + HA THR 37 OK 76 93 - 82 - 2.2/4267=42, ~4270=26...(15) HZ PHE 35 + HA THR 37 OK 60 92 - 66 - 3.8/4267=33, ~4286=12...(13) HD22 ASN 42 + HA THR 37 OK 34 99 - 34 - 1.7/5588=13, 4286/3.2=5...(11) HZ PHE 48 - HA THR 37 OK 29 89 - 33 - 4534/4267=5, 4286/3.2=4...(12) HD22 ASN 74 - HA THR 37 poor 7 63 - 11 - 1.7/5588=6, 4.4/4886=3 Peak 4269 from cnoeabs.peaks (4.59, 1.17, 22.48 ppm; 5.85 A): 3 out of 3 assignments used, quality = 0.79: HA PRO 36 + QG2 THR 37 OK 72 90 - 80 - 112/4.0=39, 4290/4.1=33...(7) HA PRO 44 + QG2 THR 37 OK 17 71 - 24 - 4886/3.2=10, 2.3/4274=7...(4) HA ASN 74 + QG2 THR 37 OK 10 71 - 14 - 4290/4.1=4, 4886/3.2=4 Peak 4270 from cnoeabs.peaks (6.65, 1.17, 22.48 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.65: QD PHE 35 + QG2 THR 37 OK 65 100 - 65 - 4267/3.2=31, 2.2/4286=17...(10) Peak 4271 from cnoeabs.peaks (2.12, 3.94, 64.91 ppm; 3.63 A): 3 out of 10 assignments used, quality = 0.94: HB ILE 40 + HA THR 37 OK 77 99 - 78 - 3.2/4279=18, 4309=15...(21) HB2 PRO 36 + HA THR 37 OK 62 99 - 63 - 6126/3.6=17, ~112=14...(16) HG3 PRO 36 + HA THR 37 OK 31 78 - 40 - 3.8/4886=8, 4879/3.6=5...(13) HG2 PRO 36 - HA THR 37 OK 29 73 - 39 - 3.8/4886=8, 4879/3.6=5...(14) HG3 PRO 44 - HA THR 37 OK 16 76 - 21 - 3.8/4886=3, 113/3.0=3...(8) HB3 PRO 44 - HA THR 37 OK 13 65 - 20 - 2.3/4886=4, 115/3.0=3...(9) HB3 GLU 59 - HA THR 37 lone 6 68 - 9 - ~4645=2, 115/3.0=1 HB2 GLU 59 - HA THR 37 lone 6 68 - 9 - ~4645=2, 115/3.0=1 HB2 PRO 56 - HA THR 37 lone 4 60 - 7 - HG3 PRO 56 - HA THR 37 lone 4 65 - 6 - 115/3.0=1 Peak 4272 from cnoeabs.peaks (1.90, 3.94, 64.91 ppm; 4.11 A): 3 out of 13 assignments used, quality = 0.98: HG12 ILE 40 + HA THR 37 OK 85 100 - 85 - 2.1/4279=27, 4.6/4266=16...(22) HB ILE 68 + HA THR 37 OK 73 100 - 73 - ~4754=14, 2.1/4281=11...(22) HG13 ILE 68 + HA THR 37 OK 53 76 - 70 - 2.1/4281=12, ~4754=10...(20) HB VAL 41 - HA THR 37 OK 24 60 - 40 - 3.9/5588=11, 2.1/4281=8...(11) HB3 PRO 14 - HA THR 37 OK 14 93 - 15 - ~4275=3, 4277/3.2=2...(6) HB3 PRO 34 - HA THR 37 poor 7 65 - 11 - 4560/4267=3, ~5587=2...(4) HB3 ARG 26 - HA THR 37 lone 7 83 - 9 - ~5105=2, ~4162=1 HB2 ARG 26 - HA THR 37 lone 7 81 - 8 - ~5105=2, ~4162=1 HB2 MET 11 - HA THR 37 lone 6 90 - 6 - ~114=1 HB2 GLU 19 - HA THR 37 lone 4 98 - 4 - HB3 GLU 87 - HA THR 37 lone 3 99 - 3 - HB2 ARG 66 - HA THR 37 lone 3 71 - 4 - HB2 GLN 91 - HA THR 37 lone 2 100 - 2 - Peak 4273 from cnoeabs.peaks (1.90, 4.22, 68.34 ppm; 4.89 A): 3 out of 12 assignments used, quality = 0.99: HB ILE 68 + HB THR 37 OK 86 99 - 87 - ~4754=27, 2.1/4763=24...(20) HG12 ILE 40 + HB THR 37 OK 83 100 - 83 - 2.1/4282=32, ~4279=18...(18) HG13 ILE 68 + HB THR 37 OK 71 83 - 85 - ~4754=21, 3.2/4763=21...(19) HB VAL 41 - HB THR 37 OK 30 68 - 43 - 2.1/4283=8, 2.1/4882=6...(13) HB3 PRO 14 - HB THR 37 OK 20 89 - 22 - ~4275=6, ~5600=3...(8) HB3 ARG 26 - HB THR 37 OK 10 76 - 13 - ~5105=4, ~4162=2...(4) HB2 ARG 26 - HB THR 37 poor 10 73 - 13 - ~5105=4, ~4162=2...(4) HB2 GLU 19 - HB THR 37 lone 5 99 - 5 - HB2 MET 11 - HB THR 37 lone 5 85 - 6 - 5599/4.4=1 HB3 GLU 87 - HB THR 37 lone 4 100 - 4 - HB2 GLN 91 - HB THR 37 lone 3 99 - 3 - HB2 ARG 66 - HB THR 37 lone 3 63 - 4 - Peak 4274 from cnoeabs.peaks (2.09, 1.17, 22.48 ppm; 4.75 A): 3 out of 9 assignments used, quality = 0.79: HG3 PRO 36 + QG2 THR 37 OK 47 100 - 48 - 3.8/4269=15, 4879/4.1=12...(8) HG2 PRO 36 + QG2 THR 37 OK 47 100 - 47 - 3.8/4269=15, 4879/4.1=12...(8) HB3 PRO 44 + QG2 THR 37 OK 24 100 - 24 - 115/4.0=6, ~4886=5...(7) HB3 GLU 59 - QG2 THR 37 lone 10 100 - 10 - 115/4.0=2, 3.0/5513=2...(4) HB2 GLU 59 - QG2 THR 37 lone 10 100 - 10 - 115/4.0=2, 3.0/5513=2...(4) HG3 PRO 56 - QG2 THR 37 lone 9 100 - 9 - 115/4.0=2, 4879/4.1=1 HB2 PRO 56 - QG2 THR 37 lone 8 100 - 8 - 115/4.0=2 HB3 MET 31 - QG2 THR 37 lone 5 81 - 6 - HB VAL 45 - QG2 THR 37 lone 2 68 - 3 - Peak 4275 from cnoeabs.peaks (2.28, 1.17, 22.48 ppm; 5.08 A): 3 out of 3 assignments used, quality = 0.77: HG2 GLU 25 + QG2 THR 37 OK 46 81 - 57 - 1.8/5513=19, 4.1/5105=17...(7) HG3 GLU 25 + QG2 THR 37 OK 45 78 - 57 - 4.1/5105=17, 5513=17...(8) HB2 PRO 14 + QG2 THR 37 OK 24 100 - 24 - 3.0/5600=5, 4.0/5107=4...(8) Peak 4276 from cnoeabs.peaks (2.57, 1.17, 22.48 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.54: HB3 ASP 24 + QG2 THR 37 OK 28 93 - 30 - 4835=16, 4.5/5107=7...(5) HB2 ASP 24 + QG2 THR 37 OK 28 85 - 33 - 1.8/4835=16, 4.5/5107=7...(5) HG2 GLN 61 + QG2 THR 37 OK 11 65 - 17 - 3904/4.0=6, 4.0/1817=2...(7) HB3 ASP 47 - QG2 THR 37 lone 7 90 - 7 - 4835=2, 4752/4754=1 HB3 ASP 46 - QG2 THR 37 lone 3 68 - 5 - Peak 4277 from cnoeabs.peaks (1.90, 1.17, 22.48 ppm; 4.60 A): 3 out of 13 assignments used, quality = 0.99: HG12 ILE 40 + QG2 THR 37 OK 85 100 - 85 - ~4282=19, ~4279=15...(23) HB ILE 68 + QG2 THR 37 OK 84 100 - 84 - 2.1/4754=36, 3.2/4757=19...(21) HG13 ILE 68 + QG2 THR 37 OK 63 76 - 83 - 3.2/4754=30, 2.1/4757=23...(19) HB3 PRO 14 - QG2 THR 37 OK 26 93 - 28 - 1.8/4275=7, 3.0/5600=5...(7) HB VAL 41 - QG2 THR 37 OK 24 60 - 40 - 2.1/4284=7, 2.1/4885=5...(12) HB3 ARG 26 - QG2 THR 37 OK 14 83 - 17 - 3.0/5105=5, 4.6/5107=2...(5) HB2 ARG 26 - QG2 THR 37 OK 13 81 - 16 - 3.0/5105=5, 4.6/5107=2...(5) HB3 PRO 34 - QG2 THR 37 OK 10 65 - 16 - 4560/4270=4, 2.3/4278=3...(5) HB2 MET 11 - QG2 THR 37 lone 6 90 - 6 - 5599/4.1=1 HB2 GLU 19 - QG2 THR 37 lone 6 98 - 6 - HB2 ARG 66 - QG2 THR 37 lone 5 71 - 7 - HB3 GLU 87 - QG2 THR 37 lone 5 99 - 4 - HB2 GLN 91 - QG2 THR 37 lone 3 100 - 3 - Peak 4278 from cnoeabs.peaks (1.76, 1.17, 22.48 ppm; 5.07 A): 4 out of 17 assignments used, quality = 0.94: HB ILE 33 + QG2 THR 37 OK 72 100 - 72 - 2.1/4285=47, ~5597=21...(11) HB2 LEU 62 + QG2 THR 37 OK 48 85 - 57 - 2571/4.0=11, 4.0/1816=10...(12) HB2 LEU 57 + QG2 THR 37 OK 44 100 - 44 - 4618/4.0=10, 4981/3.2=8...(11) HG2 PRO 34 + QG2 THR 37 OK 26 99 - 26 - 4242/4270=13...(6) HB2 PRO 34 - QG2 THR 37 OK 16 93 - 17 - 5707/4270=6, 1660/4285=3...(4) HB3 LYS 39 - QG2 THR 37 OK 15 89 - 17 - 3.0/1818=4, ~1810=4, 4561/4270=1 HG3 ARG 26 - QG2 THR 37 OK 13 89 - 14 - 3.7/5105=5, 3.0/4277=2 HB2 ARG 54 - QG2 THR 37 OK 12 100 - 12 - 5707/4270=7 HB3 LYS 32 - QG2 THR 37 lone 9 99 - 9 - 2.9/6128=2, 4180/6128=2 HB2 LYS 32 - QG2 THR 37 lone 9 99 - 9 - 2.9/6128=2, 4180/6128=2 HG3 ARG 71 - QG2 THR 37 lone 7 93 - 8 - 3.8/5105=4 HB2 LYS 13 - QG2 THR 37 lone 6 73 - 8 - 4.8/5600=4 HB3 LYS 73 - QG2 THR 37 lone 5 96 - 6 - HB3 LYS 75 - QG2 THR 37 lone 5 78 - 6 - HB2 LYS 83 - QG2 THR 37 lone 5 90 - 5 - HB3 ARG 82 - QG2 THR 37 lone 2 100 - 2 - HB3 ARG 17 - QG2 THR 37 lone 2 78 - 3 - Peak 4279 from cnoeabs.peaks (1.01, 3.94, 64.91 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.71: QD1 ILE 40 + HA THR 37 OK 57 85 - 68 - 4282/3.0=13, 4313=12...(23) QD1 LEU 57 + HA THR 37 OK 31 90 - 35 - 4608=7, 5739/3.0=4...(11) QG1 VAL 45 - HA THR 37 lone 2 68 - 3 - Peak 4280 from cnoeabs.peaks (0.93, 3.94, 64.91 ppm; 3.99 A): 4 out of 10 assignments used, quality = 0.99: QG2 ILE 40 + HA THR 37 OK 84 100 - 85 - 3.0/4279=22, 4310=17...(22) HG12 ILE 68 + HA THR 37 OK 70 100 - 70 - 2.1/4281=11, ~4754=9...(19) QD2 LEU 62 + HA THR 37 OK 61 100 - 61 - 2593=12, 2592/3.0=9...(17) QG2 VAL 41 + HA THR 37 OK 45 98 - 46 - 4.0/5588=10, 2.1/4281=7...(16) QD2 LEU 43 - HA THR 37 OK 10 85 - 12 - 4918/4266=2, 5598/3.6=1 QG1 VAL 76 - HA THR 37 lone 8 100 - 8 - 4882/3.0=1 QG2 VAL 76 - HA THR 37 lone 8 100 - 8 - 4882/3.0=1 QD1 LEU 64 - HA THR 37 poor 8 60 - 13 - 4.4/5603=3, 5598/3.6=1 QG1 VAL 90 - HA THR 37 lone 2 68 - 3 - QG2 VAL 90 - HA THR 37 lone 2 65 - 3 - Peak 4281 from cnoeabs.peaks (0.79, 3.94, 64.91 ppm; 4.40 A): 3 out of 4 assignments used, quality = 0.96: QD1 ILE 68 + HA THR 37 OK 78 97 - 80 - 4757/3.2=19, 4283/3.0=14...(22) QG2 ILE 68 + HA THR 37 OK 69 87 - 80 - 4754/3.2=24, 4763/3.0=16...(21) QG1 VAL 41 + HA THR 37 OK 49 100 - 49 - 4.0/5588=13, 2.1/4280=6...(15) QD1 ILE 89 - HA THR 37 OK 12 83 - 14 - 4283/3.0=2, 4284/3.2=2...(4) Peak 4282 from cnoeabs.peaks (1.02, 4.22, 68.34 ppm; 4.40 A): 3 out of 3 assignments used, quality = 0.85: QD1 ILE 40 + HB THR 37 OK 80 98 - 81 - 4279/3.0=24, 4314=22...(19) QD1 LEU 57 + HB THR 37 OK 18 68 - 27 - 4279/3.0=13, 5739/3.8=5...(6) HG3 PRO 34 + HB THR 37 OK 10 78 - 13 - 5587/3.8=2, ~4278=2...(6) Peak 4283 from cnoeabs.peaks (0.80, 4.22, 68.34 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.91: QG2 ILE 68 + HB THR 37 OK 68 95 - 72 - 4754/2.1=25, 4763=19...(18) QD1 ILE 68 + HB THR 37 OK 63 92 - 69 - 4757/2.1=17, 2.9/4763=13...(17) QG1 VAL 41 + HB THR 37 OK 28 100 - 28 - 4284/2.1=6, 4281/3.0=5...(10) QD1 ILE 89 - HB THR 37 lone 9 92 - 10 - 4284/2.1=2, 2.1/1815=2 Peak 4284 from cnoeabs.peaks (0.79, 1.17, 22.48 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.89: QD1 ILE 68 + QG2 THR 37 OK 68 97 - 69 - 4757=20, 2.9/4754=18...(18) QG2 ILE 68 + QG2 THR 37 OK 55 87 - 63 - 4754=24, 2.9/4757=12...(15) QG1 VAL 41 + QG2 THR 37 OK 23 100 - 23 - 4283/2.1=5, 4281/3.2=4...(8) QD1 ILE 89 - QG2 THR 37 lone 8 83 - 9 - 4283/2.1=2, 4281/3.2=1 Peak 4285 from cnoeabs.peaks (0.30, 1.17, 22.48 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.62: QG2 ILE 33 + QG2 THR 37 OK 62 97 - 64 - 5197=31, 5597/3.2=17...(13) Peak 4286 from cnoeabs.peaks (6.94, 1.17, 22.48 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.88: QE PHE 35 + QG2 THR 37 OK 66 100 - 66 - 2.2/4270=35, ~4267=18...(8) HZ PHE 35 + QG2 THR 37 OK 46 100 - 46 - 3.8/4270=26, 4596/4285=9...(5) HD22 ASN 42 + QG2 THR 37 OK 21 100 - 21 - ~5588=6, 4268/3.2=4...(6) HZ PHE 48 + QG2 THR 37 OK 18 99 - 18 - 4534/4270=4, 4596/4285=4...(5) Peak 4287 from cnoeabs.peaks (7.62, 4.28, 56.69 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.88: HD21 ASN 42 + HA ASP 38 OK 66 100 - 67 - 4356=18, 1.7/4357=15...(14) H VAL 41 + HA ASP 38 OK 64 100 - 64 - 5632/3.6=20, 4332=12...(12) HD21 ASN 74 - HA ASP 38 lone 8 95 - 9 - 5590/3.0=2, 5593/3.6=2 Peak 4288 from cnoeabs.peaks (7.62, 2.62, 40.03 ppm; 4.74 A): 4 out of 6 assignments used, quality = 0.99: HD21 ASN 42 + HB3 ASP 38 OK 80 100 - 80 - 4358=22, 4358/1.8=20...(10) HD21 ASN 42 + HB2 ASP 38 OK 80 100 - 80 - 4358=22, 4358/1.8=20...(10) H VAL 41 + HB3 ASP 38 OK 47 99 - 47 - 5632/4.7=22, 4287/3.0=18...(5) H VAL 41 + HB2 ASP 38 OK 47 99 - 47 - 5632/4.7=22, 4287/3.0=18...(5) HD21 ASN 74 - HB3 ASP 38 lone 8 98 - 8 - 4287/3.0=2, 5590/4.0=2 HD21 ASN 74 - HB2 ASP 38 lone 8 98 - 8 - 4287/3.0=2, 5590/4.0=2 Peak 4289 from cnoeabs.peaks (6.94, 2.62, 40.03 ppm; 5.20 A): 2 out of 8 assignments used, quality = 0.96: HD22 ASN 42 + HB3 ASP 38 OK 79 100 - 79 - 1.7/4358=21, 4359/1.8=21...(8) HD22 ASN 42 + HB2 ASP 38 OK 79 100 - 79 - 4359/1.8=21, 1.7/4358=21...(8) QE PHE 35 - HB2 ASP 38 lone 9 100 - 9 - 4887/3.0=4, ~4887=2 QE PHE 35 - HB3 ASP 38 lone 9 100 - 9 - 4887/3.0=4, ~4887=2 HZ PHE 35 - HB2 ASP 38 lone 8 100 - 8 - 4887/3.0=3, ~4887=3 HZ PHE 35 - HB3 ASP 38 lone 8 100 - 8 - 4887/3.0=3, ~4887=3 HZ PHE 48 - HB2 ASP 38 lone 5 99 - 5 - 4887/3.0=3 HZ PHE 48 - HB3 ASP 38 lone 5 99 - 5 - 4887/3.0=3 Peak 4293 from cnoeabs.peaks (2.10, 2.62, 40.03 ppm; 5.01 A): 6 out of 18 assignments used, quality = 0.97: HG3 PRO 36 + HB2 ASP 38 OK 46 99 - 47 - 4879/4.0=13, 4868/4.7=12...(8) HG3 PRO 36 + HB3 ASP 38 OK 46 99 - 47 - 4879/4.0=13, 4868/4.7=12...(8) HG2 PRO 36 + HB2 ASP 38 OK 46 99 - 47 - 4879/4.0=13, 4868/4.7=12...(8) HG2 PRO 36 + HB3 ASP 38 OK 46 99 - 47 - 4879/4.0=13, 4868/4.7=12...(8) HB2 PRO 36 + HB2 ASP 38 OK 41 76 - 54 - 6126/4.0=23, 4867/4.7=19...(7) HB2 PRO 36 + HB3 ASP 38 OK 41 76 - 54 - 6126/4.0=23, 4867/4.7=19...(7) HB ILE 40 - HB3 ASP 38 OK 21 78 - 27 - ~4890=7, 4292/4.0=6...(6) HB ILE 40 - HB2 ASP 38 OK 21 78 - 27 - ~4890=7, 4292/4.0=6...(6) HB3 PRO 44 - HB2 ASP 38 OK 11 97 - 11 - 4292/4.0=2, 4294/4.7=1...(4) HB3 PRO 44 - HB3 ASP 38 OK 11 97 - 11 - 4292/4.0=2, 4294/4.7=1...(5) HG3 PRO 56 - HB2 ASP 38 lone 5 97 - 5 - 4879/4.0=1, 4868/4.7=1 HG3 PRO 56 - HB3 ASP 38 lone 5 97 - 5 - 4879/4.0=1, 4868/4.7=1 HB2 PRO 56 - HB2 ASP 38 lone 3 94 - 4 - HB2 PRO 56 - HB3 ASP 38 lone 3 95 - 4 - HB3 GLU 59 - HB2 ASP 38 lone 3 97 - 3 - HB2 GLU 59 - HB2 ASP 38 lone 3 97 - 3 - HB3 GLU 59 - HB3 ASP 38 lone 3 97 - 3 - HB2 GLU 59 - HB3 ASP 38 lone 3 97 - 3 - Peak 4296 from cnoeabs.peaks (0.81, 3.63, 64.52 ppm; 4.25 A): 3 out of 8 assignments used, quality = 0.99: QG2 ILE 68 + HA ILE 40 OK 90 99 - 90 - 5249/4.1=23, 4753/3.0=18...(32) QD1 LEU 43 + HA ILE 40 OK 66 93 - 71 - 4703=13, 2.1/5125=10...(21) QG1 VAL 41 + HA ILE 40 OK 66 83 - 79 - 2.1/5130=16, 1974/3.6=12...(22) QD1 ILE 89 - HA ILE 40 OK 21 100 - 21 - 4295/3.0=2, 2.1/5124=2...(8) QD2 LEU 64 - HA ILE 40 OK 16 60 - 26 - 3.1/5125=4, 2.1/5793=2...(12) QG2 ILE 89 - HA ILE 40 poor 9 68 - 13 - 3.2/5124=2, ~4295=1, ~4303=1 QD2 LEU 86 - HA ILE 40 lone 8 89 - 9 - 4295/3.0=1 QD2 LEU 29 - HA ILE 40 lone 4 60 - 7 - Peak 4297 from cnoeabs.peaks (0.80, 2.12, 38.15 ppm; 3.93 A): 3 out of 6 assignments used, quality = 0.99: QG2 ILE 68 + HB ILE 40 OK 93 100 - 93 - 5249/3.2=25, 4753=21...(43) QG1 VAL 41 + HB ILE 40 OK 76 99 - 77 - 4.0/139=13, 4298/2.1=11...(26) QD1 ILE 68 + HB ILE 40 OK 68 76 - 89 - 5247/3.2=19, 2.9/4753=14...(39) QD1 LEU 43 - HB ILE 40 OK 36 68 - 53 - 4296/3.0=6, 4298/2.1=6...(22) QD1 ILE 89 - HB ILE 40 OK 16 99 - 16 - 4298/2.1=2, 4296/3.0=2...(6) QD2 LEU 86 - HB ILE 40 lone 3 60 - 5 - Peak 4298 from cnoeabs.peaks (0.80, 0.93, 18.83 ppm; 3.16 A): 3 out of 6 assignments used, quality = 0.97: QG2 ILE 68 + QG2 ILE 40 OK 83 100 - 83 - 5249/3.0=18, 2760=13...(40) QG1 VAL 41 + QG2 ILE 40 OK 64 98 - 65 - 1978=10, 3.2/5210=8...(25) QD1 ILE 68 + QG2 ILE 40 OK 56 73 - 77 - 5247/3.0=12, 2781=9...(36) QD1 LEU 43 - QG2 ILE 40 OK 32 71 - 46 - 2036=5, 4917/4301=5...(23) QD1 ILE 89 - QG2 ILE 40 OK 14 99 - 14 - 4297/2.1=1, 4296/3.2=1 QD2 LEU 86 - QG2 ILE 40 lone 4 63 - 6 - 4.9/5616=1 Peak 4299 from cnoeabs.peaks (0.80, 1.03, 14.28 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.98: QG2 ILE 68 + QD1 ILE 40 OK 87 99 - 88 - 5249=36, 2.9/5247=20...(39) QD1 ILE 68 + QD1 ILE 40 OK 68 81 - 84 - 5247=27, 2.9/5249=20...(34) QG1 VAL 41 + QD1 ILE 40 OK 61 99 - 62 - 4.0/143=9, 4298/3.0=7...(25) QD1 LEU 43 - QD1 ILE 40 OK 20 63 - 32 - 4917/5173=4, 4298/3.0=4...(15) QD1 ILE 89 - QD1 ILE 40 OK 10 98 - 10 - 4298/3.0=2, 4297/3.2=1 Peak 4300 from cnoeabs.peaks (0.30, 1.03, 14.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.70: QG2 ILE 33 + QD1 ILE 40 OK 70 100 - 71 - 4220=18, 3.2/4852=9...(25) Peak 4301 from cnoeabs.peaks (0.17, 0.93, 18.83 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.64: QD2 LEU 51 + QG2 ILE 40 OK 64 83 - 77 - 5173/3.0=26, 5947/3.2=19...(16) Peak 4302 from cnoeabs.peaks (1.41, 0.93, 18.83 ppm; 3.65 A): 7 out of 10 assignments used, quality = 0.89: HB3 ARG 69 + QG2 ILE 40 OK 60 89 - 68 - 1.8/4303=14, 3.0/1937=8...(28) HB3 LEU 43 + QG2 ILE 40 OK 34 68 - 50 - 1.8/2015=5, 3.1/2036=5...(22) HG3 LYS 39 + QG2 ILE 40 OK 28 99 - 28 - 2.9/4303=4, 4896=3...(9) HG2 LYS 75 + QG2 ILE 40 OK 13 78 - 16 - 2.7/4303=3, 3.9/5212=2...(5) HG3 LYS 75 + QG2 ILE 40 OK 13 78 - 16 - 2.7/4303=3, 3.9/5212=2...(5) HG2 LYS 13 + QG2 ILE 40 OK 11 96 - 12 - 3.0/4303=2, 5124/3.2=1, ~4819=1 QB ALA 53 + QG2 ILE 40 OK 11 85 - 13 - 2.9/1936=3, 2296/4.0=2...(7) HG13 ILE 89 - QG2 ILE 40 poor 7 63 - 11 - 2.1/4298=2, 2.9/4303=2...(4) HG3 LYS 73 - QG2 ILE 40 lone 7 73 - 9 - 2.9/4303=2, 4.9/4326=1 QB ALA 78 - QG2 ILE 40 lone 2 73 - 3 - Peak 4303 from cnoeabs.peaks (1.81, 0.93, 18.83 ppm; 4.05 A): 6 out of 9 assignments used, quality = 0.91: HB2 ARG 69 + QG2 ILE 40 OK 77 99 - 78 - 1.8/4302=14, 3.0/1937=9...(30) HB3 LYS 39 + QG2 ILE 40 OK 28 65 - 43 - 4.4/1936=14, 2.9/4302=5...(14) HB3 LYS 75 + QG2 ILE 40 OK 20 78 - 25 - 3.0/5212=3, 2.7/4302=2...(10) HB2 LYS 13 + QG2 ILE 40 OK 15 83 - 17 - 4.8/1937=2, ~4819=2...(5) HB2 LYS 73 + QG2 ILE 40 OK 11 95 - 12 - 4.0/4326=2, 2.9/4302=1 HB ILE 89 + QG2 ILE 40 OK 11 93 - 11 - 3.2/4298=2, 2.9/4302=1 HB2 LYS 85 - QG2 ILE 40 lone 9 99 - 9 - HB3 ARG 84 - QG2 ILE 40 lone 4 99 - 4 - HB2 LYS 83 - QG2 ILE 40 lone 3 63 - 5 - Peak 4304 from cnoeabs.peaks (2.38, 1.03, 14.28 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.92: HB VAL 65 + QD1 ILE 40 OK 90 97 - 93 - 3.0/5033=38, 2.1/5035=28...(27) HG3 MET 11 + QD1 ILE 40 OK 21 96 - 22 - 2656/5033=5, 2666/5035=3...(7) HG2 GLU 50 - QD1 ILE 40 lone 6 99 - 6 - 3.7/4313=1 HG2 GLU 59 - QD1 ILE 40 lone 4 83 - 4 - Peak 4305 from cnoeabs.peaks (2.86, 1.03, 14.28 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.97: HB2 PHE 35 + QD1 ILE 40 OK 92 99 - 92 - 2.6/4318=45, ~4322=29...(20) HB3 PHE 48 + QD1 ILE 40 OK 64 76 - 85 - 4.4/4316=32, 2.5/5619=29...(14) HB3 ASP 67 - QD1 ILE 40 OK 30 85 - 35 - 4.6/5622=14, 4746/3.0=5...(8) Peak 4306 from cnoeabs.peaks (1.79, 1.03, 14.28 ppm; 4.90 A): 4 out of 17 assignments used, quality = 0.99: HB2 ARG 69 + QD1 ILE 40 OK 83 99 - 84 - 4303/3.0=15, 2796/2.1=12...(29) HB2 PRO 34 + QD1 ILE 40 OK 76 92 - 82 - 3.0/1690=15, 2.3/1725=15...(18) HB ILE 33 + QD1 ILE 40 OK 56 68 - 81 - 2.1/4300=47, 3.0/4852=15...(21) HB3 LYS 39 + QD1 ILE 40 OK 51 96 - 54 - 4.4/607=21, 3.0/4314=6...(14) HB3 LYS 75 - QD1 ILE 40 OK 27 99 - 27 - 3.0/4314=4, 4303/3.0=4...(11) HB2 LYS 13 - QD1 ILE 40 OK 16 100 - 16 - 4.8/1958=3, 4303/3.0=3...(5) HB2 ARG 54 - QD1 ILE 40 OK 14 60 - 24 - 5307/4.9=4, 5707/4318=4...(7) HB2 LEU 57 - QD1 ILE 40 OK 13 63 - 22 - ~5954=3, ~4599=2...(8) HB3 LYS 73 - QD1 ILE 40 OK 12 89 - 13 - ~4303=2, 5205/5173=1, 3807/4.9=1 HB2 LYS 85 - QD1 ILE 40 lone 10 99 - 10 - 3.0/4314=2, 4303/3.0=2 HB2 LYS 32 - QD1 ILE 40 poor 9 81 - 11 - HB3 LYS 32 - QD1 ILE 40 poor 9 81 - 11 - HB ILE 89 - QD1 ILE 40 poor 7 60 - 12 - 4303/3.0=2, 3.2/4299=2...(5) HB2 LYS 83 - QD1 ILE 40 lone 7 95 - 7 - 3.0/4314=1 HB2 LYS 73 - QD1 ILE 40 lone 5 63 - 9 - 4303/3.0=2 HB3 ARG 84 - QD1 ILE 40 lone 4 99 - 4 - HB3 ARG 82 - QD1 ILE 40 lone 3 60 - 4 - Peak 4309 from cnoeabs.peaks (3.93, 2.12, 38.15 ppm; 4.05 A): 4 out of 7 assignments used, quality = 0.94: HA THR 37 + HB ILE 40 OK 85 100 - 85 - 4279/3.2=21, 4266/3.9=18...(23) HA LEU 62 + HB ILE 40 OK 32 98 - 32 - 4310/2.1=7, 4999/2.9=4...(12) HA3 GLY 18 + HB ILE 40 OK 26 100 - 26 - 4310/2.1=4, ~4310=3...(12) HA2 GLY 18 + HB ILE 40 OK 26 100 - 26 - 4310/2.1=4, ~4310=3...(12) HA ALA 28 - HB ILE 40 OK 12 71 - 18 - 4313/3.2=2, 4172/2.9=2...(8) HA3 GLY 21 - HB ILE 40 OK 12 87 - 14 - 4310/2.1=2, 4313/3.2=2...(8) HA2 GLY 21 - HB ILE 40 OK 12 85 - 14 - 4310/2.1=2, 4313/3.2=2...(8) Peak 4310 from cnoeabs.peaks (3.93, 0.93, 18.83 ppm; 4.14 A): 3 out of 7 assignments used, quality = 0.94: HA THR 37 + QG2 ILE 40 OK 85 99 - 86 - 4279/3.0=23, 4266/4.0=18...(22) HA LEU 62 + QG2 ILE 40 OK 44 100 - 44 - 2569=8, 4309/2.1=6...(18) HA3 GLY 18 + QG2 ILE 40 OK 29 100 - 29 - 4309/2.1=5, 3.0/5616=4...(12) HA2 GLY 18 - QG2 ILE 40 OK 29 100 - 29 - 4309/2.1=5, 3.0/5616=4...(12) HA3 GLY 21 - QG2 ILE 40 OK 12 78 - 15 - 4309/2.1=2, 4313/3.0=1...(8) HA2 GLY 21 - QG2 ILE 40 OK 12 76 - 15 - 4309/2.1=2, ~4309=2...(8) HA ALA 28 - QG2 ILE 40 OK 11 60 - 18 - 4313/3.0=2, 4309/2.1=2...(8) Peak 4311 from cnoeabs.peaks (3.94, 1.90, 28.19 ppm; 4.80 A): 2 out of 10 assignments used, quality = 0.95: HA THR 37 + HG12 ILE 40 OK 92 100 - 92 - 4279/2.1=31, 4266/4.6=21...(24) HA3 GLY 18 + HG12 ILE 40 OK 35 98 - 36 - 4309/2.9=5, 4310/3.2=5...(12) HA2 GLY 18 - HG12 ILE 40 OK 35 97 - 36 - 4309/2.9=5, 4310/3.2=5...(12) HA LEU 62 - HG12 ILE 40 OK 34 93 - 37 - 4310/3.2=7, 4309/2.9=6...(11) HA ALA 28 - HG12 ILE 40 OK 20 83 - 24 - 4313/2.1=4, 2.1/4837=3...(8) HA2 GLY 72 - HG12 ILE 40 OK 19 71 - 28 - 4313/2.1=4, 1.8/4799=3...(9) HA3 GLY 21 - HG12 ILE 40 OK 18 95 - 19 - 4313/2.1=3, 4309/2.9=2...(9) HA2 GLY 21 - HG12 ILE 40 OK 18 93 - 19 - 4313/2.1=3, 4309/2.9=2...(9) HA GLN 61 - HG12 ILE 40 poor 8 65 - 12 - 4313/2.1=2, 4509/4.6=1...(6) HA GLU 50 - HG12 ILE 40 lone 7 68 - 10 - 4509/4.6=3, 4313/2.1=1 Peak 4313 from cnoeabs.peaks (3.94, 1.03, 14.28 ppm; 3.63 A): 9 out of 11 assignments used, quality = 0.95: HA THR 37 + QD1 ILE 40 OK 77 98 - 79 - 4279=26, 3.0/4282=15...(25) HA LEU 62 + QD1 ILE 40 OK 23 81 - 29 - 2569/3.0=4, 4309/3.2=3...(14) HA3 GLY 18 + QD1 ILE 40 OK 20 90 - 22 - 4309/3.2=3, 4311/2.1=2...(11) HA2 GLY 18 + QD1 ILE 40 OK 20 89 - 22 - 4309/3.2=3, 4311/2.1=2...(10) HA ALA 28 + QD1 ILE 40 OK 19 95 - 20 - 5928/5249=3, 4172/2.1=2...(7) HA2 GLY 72 + QD1 ILE 40 OK 17 87 - 20 - 4796/3.0=2, 4797/5249=2...(9) HA3 GLY 21 + QD1 ILE 40 OK 12 99 - 12 - 4311/2.1=1, 4309/3.2=1...(4) HA2 GLY 21 + QD1 ILE 40 OK 12 99 - 12 - 4311/2.1=1, 4309/3.2=1...(4) HA VAL 76 + QD1 ILE 40 OK 11 76 - 14 - 3.0/4901=2, 4.7/4314=1...(5) HA GLN 61 - QD1 ILE 40 poor 9 83 - 10 - 4854/4300=1, 3901/5587=1 HA GLU 50 - QD1 ILE 40 lone 6 85 - 7 - 4509/4.9=2 Peak 4314 from cnoeabs.peaks (4.22, 1.03, 14.28 ppm; 4.62 A): 3 out of 9 assignments used, quality = 0.93: HB THR 37 + QD1 ILE 40 OK 87 100 - 87 - 4282=36, 3.0/4279=23...(20) HA LYS 39 + QD1 ILE 40 OK 31 65 - 47 - 3.6/607=22, 4315/3.2=5...(13) HA LYS 75 + QD1 ILE 40 OK 18 81 - 23 - 4315/3.2=3, 3.6/4901=3...(9) HA LYS 85 - QD1 ILE 40 lone 8 99 - 8 - 4315/3.2=1 HA ALA 77 - QD1 ILE 40 lone 7 97 - 7 - 4315/3.2=1 HA THR 15 - QD1 ILE 40 lone 6 76 - 8 - 4.9/1961=2, 4315/3.2=1 HA LYS 83 - QD1 ILE 40 lone 5 83 - 6 - HA ALA 78 - QD1 ILE 40 lone 5 89 - 5 - 6048/5619=1 HA GLN 79 - QD1 ILE 40 lone 2 68 - 2 - Peak 4315 from cnoeabs.peaks (4.22, 2.12, 38.15 ppm; 5.46 A): 2 out of 9 assignments used, quality = 0.95: HB THR 37 + HB ILE 40 OK 91 100 - 91 - 4282/3.2=31, 3.0/4309=19...(22) HA LYS 39 + HB ILE 40 OK 46 71 - 65 - 3.6/1929=29, 6082/4.5=11...(16) HA LYS 75 - HB ILE 40 OK 24 85 - 29 - 4314/3.2=4, ~4303=4...(11) HA LYS 85 - HB ILE 40 OK 12 100 - 12 - 4314/3.2=2, ~4303=2, 5212/2.1=1 HA ALA 77 - HB ILE 40 lone 9 99 - 9 - 4314/3.2=2, 5437/2.1=1...(4) HA THR 15 - HB ILE 40 poor 9 81 - 11 - 4.9/1933=3, 4314/3.2=1...(4) HA LYS 83 - HB ILE 40 lone 8 87 - 9 - 4314/3.2=1, 5212/2.1=1 HA ALA 78 - HB ILE 40 lone 6 85 - 7 - ~5861=1, 4314/3.2=1, 6048/5613=1 HA GLN 79 - HB ILE 40 lone 2 63 - 3 - Peak 4316 from cnoeabs.peaks (7.15, 1.03, 14.28 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 48 + QD1 ILE 40 OK 99 100 - 99 - 4323/3.0=36, 4611=35...(33) Peak 4317 from cnoeabs.peaks (6.95, 1.03, 14.28 ppm; 3.77 A): 4 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 ILE 40 OK 91 100 - 92 - 2.2/4318=28, 4577=23...(38) HZ PHE 48 + QD1 ILE 40 OK 84 100 - 84 - 2.2/4316=24, ~4323=15...(23) HZ PHE 35 + QD1 ILE 40 OK 79 100 - 79 - 3.8/4318=20, 2.2/4577=19...(29) HD22 ASN 42 + QD1 ILE 40 OK 51 97 - 53 - 1.7/4900=7, 4365/2.1=6...(15) Peak 4318 from cnoeabs.peaks (6.65, 1.03, 14.28 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + QD1 ILE 40 OK 96 100 - 96 - 4320/2.1=28, 4322/2.1=27...(34) Peak 4319 from cnoeabs.peaks (6.95, 1.23, 28.19 ppm; 4.39 A): 4 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG13 ILE 40 OK 95 100 - 95 - 2.2/4320=30, 4577/2.1=25...(30) HZ PHE 48 + HG13 ILE 40 OK 89 100 - 89 - 2.2/5620=28, ~4316=22...(19) HZ PHE 35 + HG13 ILE 40 OK 79 100 - 79 - 3.8/4320=23, ~4577=16...(21) HD22 ASN 42 + HG13 ILE 40 OK 62 98 - 63 - 4365/1.8=9, 1.7/5621=9...(14) Peak 4320 from cnoeabs.peaks (6.66, 1.23, 28.19 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + HG13 ILE 40 OK 96 99 - 97 - 4318/2.1=44, 4322/1.8=33...(25) Peak 4321 from cnoeabs.peaks (6.95, 1.90, 28.19 ppm; 4.56 A): 4 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG12 ILE 40 OK 96 100 - 96 - 2.2/4322=33, ~4318=26...(33) HZ PHE 48 + HG12 ILE 40 OK 93 100 - 93 - 2.2/5617=31, ~4316=24...(19) HZ PHE 35 + HG12 ILE 40 OK 84 100 - 84 - 3.8/4322=25, ~4577=17...(22) HD22 ASN 42 + HG12 ILE 40 OK 67 97 - 70 - 1.7/3817=11, 4365=11...(17) Peak 4322 from cnoeabs.peaks (6.64, 1.90, 28.19 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 35 + HG12 ILE 40 OK 93 97 - 96 - 4318/2.1=40, 4320/1.8=31...(24) Peak 4323 from cnoeabs.peaks (7.14, 0.93, 18.83 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.89: QE PHE 48 + QG2 ILE 40 OK 89 96 - 93 - 2.2/5128=20, 5120/3.2=19...(35) Peak 4324 from cnoeabs.peaks (6.96, 0.93, 18.83 ppm; 3.88 A): 4 out of 4 assignments used, quality = 0.99: HZ PHE 48 + QG2 ILE 40 OK 85 96 - 89 - 2.2/4323=35, ~5612=15...(22) QE PHE 35 + QG2 ILE 40 OK 82 92 - 89 - 4577/3.0=17, ~4318=15...(35) HZ PHE 35 + QG2 ILE 40 OK 61 93 - 66 - 2.2/4578=10, ~4577=9...(22) HD22 ASN 42 + QG2 ILE 40 OK 47 78 - 60 - 1.7/3816=11, ~3815=8...(19) Peak 4325 from cnoeabs.peaks (7.07, 3.63, 64.52 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.86: QD PHE 48 + HA ILE 40 OK 82 99 - 83 - 2.2/5120=37, ~4323=18...(16) QD TYR 81 + HA ILE 40 OK 22 100 - 22 - 5619/4.1=4, 5618/4.0=4...(6) Peak 4326 from cnoeabs.peaks (7.98, 0.93, 18.83 ppm; 3.93 A): 6 out of 8 assignments used, quality = 0.94: H ARG 69 + QG2 ILE 40 OK 76 99 - 77 - 292=10, 4.7/5616=10...(26) H GLY 72 + QG2 ILE 40 OK 32 93 - 34 - 5055=5, 5492/3.2=4...(14) H ARG 70 + QG2 ILE 40 OK 31 73 - 43 - 4.3/4303=9, 3.6/1937=8...(10) H ALA 63 + QG2 ILE 40 OK 24 100 - 24 - 3.6/4310=5, 259=3...(8) H VAL 76 + QG2 ILE 40 OK 20 89 - 23 - 814=3, 3.6/5212=2...(8) H LYS 73 + QG2 ILE 40 OK 17 83 - 21 - 3.6/4796=3, 3.6/4794=3...(5) H ALA 30 - QG2 ILE 40 lone 10 99 - 10 - 4194/3.2=1 H LEU 29 - QG2 ILE 40 lone 6 71 - 8 - 3.6/4310=1 Peak 4327 from cnoeabs.peaks (7.99, 0.80, 21.38 ppm; 4.27 A): 3 out of 6 assignments used, quality = 0.99: H GLY 72 + QG1 VAL 41 OK 82 100 - 83 - 3.0/4338=34, ~4335=21...(17) H LYS 73 + QG1 VAL 41 OK 75 97 - 78 - 3.6/4338=30, 5264=16...(17) H ARG 69 + QG1 VAL 41 OK 74 100 - 74 - 294=15, 2.9/4767=10...(21) H ALA 63 - QG1 VAL 41 OK 28 99 - 28 - 2.9/4904=8, 4328/2.1=4...(8) H ALA 30 - QG1 VAL 41 OK 21 100 - 20 - 4.5/3822=4, 909/4.1=3...(5) H VAL 76 - QG1 VAL 41 OK 20 68 - 29 - 3.0/4339=3, 3.6/4334=3...(12) Peak 4328 from cnoeabs.peaks (7.98, 0.94, 22.13 ppm; 4.20 A): 3 out of 7 assignments used, quality = 0.98: H GLY 72 + QG2 VAL 41 OK 79 98 - 81 - 3.0/4335=33, ~4338=20...(16) H ARG 69 + QG2 VAL 41 OK 70 100 - 71 - 294/2.1=13, 2.9/5130=11...(22) H LYS 73 + QG2 VAL 41 OK 64 92 - 70 - 3.6/4335=29, 5264/2.1=11...(14) H ALA 63 - QG2 VAL 41 OK 32 100 - 32 - ~4904=5, 259=4...(12) H VAL 76 - QG2 VAL 41 OK 23 78 - 29 - 3.0/4336=3, 3.6/4337=3...(10) H ARG 70 - QG2 VAL 41 OK 22 60 - 36 - 3.6/5130=10, 4.3/4347=5...(8) H ALA 30 - QG2 VAL 41 OK 20 100 - 20 - 4.5/3823=4, 909/4.1=3...(5) Peak 4329 from cnoeabs.peaks (6.95, 0.94, 22.13 ppm; 5.10 A): 3 out of 4 assignments used, quality = 0.96: HD22 ASN 42 + QG2 VAL 41 OK 88 98 - 89 - 4367/2.1=24, 5088/4.1=23...(17) QE PHE 35 + QG2 VAL 41 OK 45 100 - 45 - 5628/2.1=8, 618/4.1=6...(12) HZ PHE 35 + QG2 VAL 41 OK 43 100 - 43 - 5628/2.1=7, ~5628=6...(11) HZ PHE 48 - QG2 VAL 41 OK 36 100 - 36 - 2.2/4612=5, 5628/2.1=4...(12) Peak 4330 from cnoeabs.peaks (7.25, 0.94, 22.13 ppm; 4.74 A): 3 out of 3 assignments used, quality = 0.88: H ILE 40 + QG2 VAL 41 OK 81 98 - 83 - 137/4.0=24, 5627/2.1=19...(22) H ASP 47 + QG2 VAL 41 OK 27 90 - 30 - 6130/4.1=6, 3.0/4450=4...(8) HE ARG 54 + QG2 VAL 41 OK 11 95 - 11 - 137/4.0=3, 5633/4.1=3 Peak 4331 from cnoeabs.peaks (6.92, 0.80, 21.38 ppm; 4.87 A): 3 out of 5 assignments used, quality = 0.94: HD22 ASN 42 + QG1 VAL 41 OK 87 96 - 92 - 4.4/4340=25, 4367=23...(16) QE PHE 35 + QG1 VAL 41 OK 32 85 - 38 - 5628/2.1=7, ~4329=5...(10) HZ PHE 35 + QG1 VAL 41 OK 30 83 - 36 - 5628/2.1=6, ~4329=5...(7) HZ PHE 48 - QG1 VAL 41 OK 20 78 - 25 - 4329/2.1=4, 5628/2.1=4...(5) HD22 ASN 74 - QG1 VAL 41 OK 15 76 - 20 - 1.7/1974=5, ~1979=3...(6) Peak 4333 from cnoeabs.peaks (4.27, 1.93, 32.20 ppm; 4.29 A): 6 out of 12 assignments used, quality = 0.90: HA ASP 38 + HB VAL 41 OK 51 97 - 52 - 5355=17, 4287/3.9=12...(9) HA LYS 39 + HB VAL 41 OK 46 87 - 53 - 3.6/5627=16, 5790/4.4=13...(10) HA LEU 64 + HB VAL 41 OK 42 99 - 42 - 6071/2.1=11, 4337/2.1=8...(12) HA LYS 75 + HB VAL 41 OK 15 73 - 20 - 4337/2.1=4, 4334/2.1=4...(7) HA GLU 19 + HB VAL 41 OK 13 97 - 13 - 4337/2.1=2, 4334/2.1=2...(5) HA ALA 20 + HB VAL 41 OK 11 99 - 11 - 4337/2.1=2, 4334/2.1=2 HA SER 60 - HB VAL 41 lone 6 97 - 6 - 4337/2.1=1, 4334/2.1=1 HA THR 15 - HB VAL 41 lone 6 78 - 7 - 4337/2.1=1, 4334/2.1=1 HA LYS 83 - HB VAL 41 lone 5 71 - 7 - 4337/2.1=1, 4334/2.1=1 HA ARG 17 - HB VAL 41 lone 4 97 - 4 - HA ALA 12 - HB VAL 41 lone 3 97 - 3 - HA THR 88 - HB VAL 41 lone 3 96 - 3 - Peak 4334 from cnoeabs.peaks (4.26, 0.80, 21.38 ppm; 4.66 A): 4 out of 13 assignments used, quality = 0.93: HA LYS 39 + QG1 VAL 41 OK 58 96 - 61 - 5790/4.1=17, 6082/4.0=12...(14) HA LEU 64 + QG1 VAL 41 OK 54 100 - 54 - 6071=17, 4337/2.1=9...(13) HA ASP 38 + QG1 VAL 41 OK 49 89 - 55 - 4891=17, 5355/2.1=14...(9) HA LYS 75 + QG1 VAL 41 OK 30 87 - 34 - 4337/2.1=5, 3.0/4346=3...(13) HA GLU 19 - QG1 VAL 41 OK 15 100 - 14 - 4333/2.1=3, 4337/2.1=2...(4) HA ALA 20 - QG1 VAL 41 OK 14 100 - 14 - 4337/2.1=2, 4333/2.1=2...(6) HA LYS 83 - QG1 VAL 41 OK 10 85 - 12 - 4.7/5626=2, 4337/2.1=1...(5) HA SER 60 - QG1 VAL 41 lone 9 90 - 10 - 4995/4904=2, 4337/2.1=1 HA THR 15 - QG1 VAL 41 lone 9 90 - 9 - 3.0/5626=2, 4337/2.1=1...(4) HA ARG 17 - QG1 VAL 41 lone 6 90 - 6 - HA ALA 12 - QG1 VAL 41 lone 4 100 - 4 - HA ALA 77 - QG1 VAL 41 lone 4 60 - 7 - HA THR 88 - QG1 VAL 41 lone 3 87 - 4 - Peak 4335 from cnoeabs.peaks (3.75, 0.94, 22.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.69: HA3 GLY 72 + QG2 VAL 41 OK 69 99 - 70 - 4338/2.1=28, 4794=15...(13) Peak 4336 from cnoeabs.peaks (3.96, 0.94, 22.13 ppm; 3.94 A): 5 out of 10 assignments used, quality = 0.94: HA2 GLY 72 + QG2 VAL 41 OK 79 100 - 79 - 1.8/4335=38, ~4338=24...(14) HA THR 37 + QG2 VAL 41 OK 31 76 - 40 - 5588/4.0=7, 4280=5...(12) HA GLU 50 + QG2 VAL 41 OK 25 100 - 26 - 3.0/3823=5, 4339/2.1=3...(8) HA ALA 28 + QG2 VAL 41 OK 25 100 - 25 - 5928/2.1=5, ~5302=4...(7) HA VAL 76 + QG2 VAL 41 OK 23 98 - 24 - 4339/2.1=3, 3159=2...(6) HA ARG 66 - QG2 VAL 41 OK 18 87 - 20 - 3.6/4741=3, 3.0/4732=2...(5) HA GLN 61 - QG2 VAL 41 OK 12 99 - 12 - 3.6/722=2, 4.7/2569=1...(4) HA LYS 32 - QG2 VAL 41 poor 10 87 - 11 - 4339/2.1=2, ~91=1 HA2 GLY 21 - QG2 VAL 41 lone 7 99 - 6 - HA3 GLY 21 - QG2 VAL 41 lone 6 99 - 7 - Peak 4337 from cnoeabs.peaks (4.26, 0.94, 22.13 ppm; 3.95 A): 6 out of 12 assignments used, quality = 0.90: HA LYS 39 + QG2 VAL 41 OK 49 95 - 52 - 3.6/4330=14, 5790/4.1=12...(12) HA LEU 64 + QG2 VAL 41 OK 42 100 - 42 - 6071/2.1=9, 4333/2.1=6...(13) HA ASP 38 + QG2 VAL 41 OK 42 90 - 47 - 5355/2.1=12, 4890=11...(9) HA LYS 75 + QG2 VAL 41 OK 23 85 - 27 - 4334/2.1=3, 3.0/5850=2...(13) HA GLU 19 + QG2 VAL 41 OK 11 99 - 11 - 4333/2.1=2, 4334/2.1=2...(4) HA ALA 20 + QG2 VAL 41 OK 11 100 - 10 - 4333/2.1=2, 4334/2.1=1 HA LYS 83 - QG2 VAL 41 lone 7 83 - 8 - 4.7/5625=1, 4334/2.1=1 HA THR 15 - QG2 VAL 41 lone 6 89 - 7 - 3.0/5625=1 HA SER 60 - QG2 VAL 41 lone 6 92 - 6 - HA ARG 17 - QG2 VAL 41 lone 4 92 - 4 - HA ALA 12 - QG2 VAL 41 lone 3 100 - 3 - HA THR 88 - QG2 VAL 41 lone 2 89 - 3 - Peak 4338 from cnoeabs.peaks (3.73, 0.80, 21.38 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.71: HA3 GLY 72 + QG1 VAL 41 OK 71 98 - 72 - 4335/2.1=28, 4795=19...(12) Peak 4339 from cnoeabs.peaks (3.95, 0.80, 21.38 ppm; 4.08 A): 4 out of 13 assignments used, quality = 0.94: HA2 GLY 72 + QG1 VAL 41 OK 81 98 - 83 - 1.8/4338=40, ~4335=26...(13) HA THR 37 + QG1 VAL 41 OK 38 87 - 44 - 5588/4.0=9, 4281=8...(12) HA ALA 28 + QG1 VAL 41 OK 30 100 - 30 - 5928=7, 2.1/5302=5...(7) HA GLU 50 + QG1 VAL 41 OK 25 97 - 25 - 3.0/3822=5, 4336/2.1=4...(7) HA VAL 76 - QG1 VAL 41 OK 24 93 - 26 - 4336/2.1=4, 4.7/4334=2...(10) HA ARG 66 - QG1 VAL 41 OK 15 76 - 20 - 3.6/5803=4, 4336/2.1=3...(6) HA LYS 32 - QG1 VAL 41 OK 13 76 - 16 - 3.9/4903=2, 3.0/4346=2...(7) HA LEU 62 - QG1 VAL 41 poor 9 57 - 15 - 3.6/4327=2, 4905/4.0=2...(6) HA GLN 61 - QG1 VAL 41 lone 8 97 - 9 - 4336/2.1=2 HA3 GLY 21 - QG1 VAL 41 lone 7 100 - 7 - 4336/2.1=1 HA2 GLY 21 - QG1 VAL 41 lone 7 100 - 7 - 4336/2.1=1 HA3 GLY 18 - QG1 VAL 41 lone 3 71 - 4 - 4905/4.0=1 HA2 GLY 18 - QG1 VAL 41 lone 3 68 - 4 - 4905/4.0=1 Peak 4340 from cnoeabs.peaks (4.68, 0.80, 21.38 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.72: HA ASN 42 + QG1 VAL 41 OK 72 100 - 72 - 3.0/147=20, ~3821=13...(11) HA PRO 56 - QG1 VAL 41 lone 9 97 - 9 - 614/4.1=3, 2.3/4350=1 Peak 4341 from cnoeabs.peaks (1.38, 3.58, 65.23 ppm; 3.93 A): 3 out of 13 assignments used, quality = 0.91: HG3 ARG 69 + HA VAL 41 OK 66 100 - 66 - 5253=23, 1.8/5254=13...(19) HB3 ARG 69 + HA VAL 41 OK 61 93 - 66 - 3.0/5253=17, 3.0/5254=11...(22) HG3 LYS 73 + HA VAL 41 OK 34 99 - 34 - ~4904=9, 4344/3.2=5...(11) HG2 LYS 75 - HA VAL 41 OK 19 98 - 19 - 4347/3.2=2, 4344/3.2=2...(8) HG3 LYS 75 - HA VAL 41 OK 19 98 - 19 - 4347/3.2=2, 4344/3.2=2...(8) HG3 LYS 39 - HA VAL 41 OK 18 73 - 24 - 1.8/5208=6, 5207=3...(9) QB ALA 53 - HA VAL 41 OK 13 96 - 14 - 3.6/5630=3, ~5627=2...(7) QB ALA 20 - HA VAL 41 lone 7 100 - 7 - QB ALA 77 - HA VAL 41 lone 4 100 - 4 - HG2 LYS 85 - HA VAL 41 lone 4 100 - 4 - HG2 LYS 83 - HA VAL 41 lone 2 96 - 3 - QB ALA 78 - HA VAL 41 lone 2 99 - 2 - QB ALA 16 - HA VAL 41 lone 1 81 - 1 - Peak 4342 from cnoeabs.peaks (1.22, 3.58, 65.23 ppm; 4.69 A): 3 out of 7 assignments used, quality = 0.96: HG13 ILE 40 + HA VAL 41 OK 83 93 - 89 - ~143=14, 3.2/5210=12...(33) HG2 ARG 69 + HA VAL 41 OK 59 76 - 77 - 1.8/5253=28, 5254=18...(18) QG2 VAL 65 + HA VAL 41 OK 44 100 - 44 - 4724/3.2=5, ~5964=5...(13) QG1 VAL 65 - HA VAL 41 OK 39 92 - 43 - 5964/3.2=7, 142/3.0=6...(15) HG13 ILE 33 - HA VAL 41 OK 11 100 - 11 - 142/3.0=2, 5254=2, ~4223=1 HG LEU 52 - HA VAL 41 lone 4 78 - 6 - ~4553=1 QG2 THR 15 - HA VAL 41 lone 4 68 - 5 - Peak 4343 from cnoeabs.peaks (2.03, 3.58, 65.23 ppm; 4.88 A): 2 out of 16 assignments used, quality = 0.93: HD3 ARG 69 + HA VAL 41 OK 74 100 - 74 - 3.0/5253=25, 3.0/5254=17...(15) HD2 ARG 69 + HA VAL 41 OK 74 100 - 74 - 3.0/5253=25, 3.0/5254=17...(15) HB2 GLU 50 - HA VAL 41 OK 23 97 - 24 - 3.9/3820=7, 4.7/5630=6...(7) HB3 GLU 50 - HA VAL 41 OK 23 97 - 24 - 3.9/3820=7, 4.7/5630=6...(7) HG2 PRO 44 - HA VAL 41 OK 21 89 - 23 - ~139=3, ~5642=2, ~4404=2...(11) HB VAL 76 - HA VAL 41 OK 20 93 - 22 - 4.0/5629=2, 2.1/1968=2...(10) HB3 GLU 19 - HA VAL 41 OK 11 99 - 11 - ~4333=1, 1.8/1966=1...(4) HG2 ARG 66 - HA VAL 41 lone 8 83 - 9 - 2.8/1966=1, ~1981=1 HB3 PRO 56 - HA VAL 41 lone 7 100 - 7 - ~4340=3, ~4350=1 HB2 GLU 87 - HA VAL 41 lone 4 100 - 4 - HG2 PRO 56 - HA VAL 41 lone 4 99 - 4 - HB2 GLU 25 - HA VAL 41 lone 2 76 - 3 - HB VAL 90 - HA VAL 41 lone 2 96 - 2 - HB3 GLU 25 - HA VAL 41 lone 2 73 - 3 - HB3 GLN 91 - HA VAL 41 lone 2 97 - 2 - HB3 MET 11 - HA VAL 41 lone 2 73 - 2 - Peak 4344 from cnoeabs.peaks (1.39, 0.80, 21.38 ppm; 3.94 A): 3 out of 12 assignments used, quality = 0.95: HB3 ARG 69 + QG1 VAL 41 OK 68 100 - 69 - 3.0/4903=10, 3.0/4767=8...(20) HG3 ARG 69 + QG1 VAL 41 OK 61 92 - 67 - 5253/3.2=15, 1.8/4903=13...(18) HG3 LYS 73 + QG1 VAL 41 OK 58 100 - 59 - 1.8/4904=18, 3.8/5626=10...(14) HG3 LYS 39 - QG1 VAL 41 OK 30 95 - 31 - 4896/2.1=4, 4.1/4334=4...(10) HG2 LYS 75 - QG1 VAL 41 OK 28 100 - 28 - 2.7/4346=3, 4347/2.1=2...(13) HG3 LYS 75 - QG1 VAL 41 OK 28 100 - 28 - 2.7/4346=3, 4347/2.1=2...(13) QB ALA 53 - QG1 VAL 41 OK 13 100 - 13 - 2.1/5626=3, ~5627=3...(5) QB ALA 20 - QG1 VAL 41 lone 9 93 - 10 - 2.1/4334=1, ~4337=1, ~4333=1 HG2 LYS 85 - QG1 VAL 41 lone 6 93 - 6 - QB ALA 77 - QG1 VAL 41 lone 5 90 - 5 - HG2 LYS 83 - QG1 VAL 41 lone 3 76 - 4 - QB ALA 78 - QG1 VAL 41 lone 3 100 - 3 - Peak 4345 from cnoeabs.peaks (1.63, 0.80, 21.38 ppm; 4.38 A): 6 out of 14 assignments used, quality = 0.85: HD2 LYS 73 + QG1 VAL 41 OK 47 87 - 54 - 2.9/4904=18, 5.2/5626=9...(15) HD3 LYS 73 + QG1 VAL 41 OK 47 87 - 54 - 2.9/4904=18, 5.2/5626=9...(15) HG2 ARG 71 + QG1 VAL 41 OK 16 98 - 16 - 5.0/5056=7, 5.0/5835=3 HD3 LYS 32 + QG1 VAL 41 OK 15 90 - 17 - 3.0/4903=2, 3.5/4346=2...(6) HD2 LYS 32 + QG1 VAL 41 OK 14 87 - 16 - 3.0/4903=2, 3.5/4346=2...(6) HG3 ARG 70 + QG1 VAL 41 OK 11 90 - 12 - 5.0/5835=3, 4.9/5831=3 HB3 LEU 51 - QG1 VAL 41 lone 4 60 - 7 - 5677/4.1=3 HG2 ARG 26 - QG1 VAL 41 lone 3 99 - 3 - HG3 ARG 17 - QG1 VAL 41 lone 3 98 - 3 - HG2 ARG 27 - QG1 VAL 41 lone 3 100 - 3 - HG2 ARG 17 - QG1 VAL 41 lone 3 97 - 3 - HG3 ARG 27 - QG1 VAL 41 lone 3 100 - 3 - HB2 LEU 86 - QG1 VAL 41 lone 2 93 - 2 - HG LEU 86 - QG1 VAL 41 lone 1 57 - 2 - Peak 4346 from cnoeabs.peaks (1.78, 0.80, 21.38 ppm; 4.38 A): 4 out of 16 assignments used, quality = 0.95: HB3 LYS 73 + QG1 VAL 41 OK 66 99 - 67 - 2.9/4904=18, 3.0/5626=14...(17) HB2 ARG 69 + QG1 VAL 41 OK 65 89 - 73 - 3.0/4903=13, ~5253=10...(18) HB3 LYS 39 + QG1 VAL 41 OK 45 100 - 45 - 4.4/4295=7, 3.0/4334=6...(16) HB3 LYS 75 + QG1 VAL 41 OK 31 100 - 31 - 2.7/4344=3, 2.7/4344=3...(13) HB3 LYS 32 - QG1 VAL 41 OK 18 96 - 18 - 3.5/4345=3, 2.9/4903=2...(7) HB2 LYS 32 - QG1 VAL 41 OK 18 96 - 18 - 3.5/4345=3, 2.9/4903=2...(7) HB2 LEU 57 - QG1 VAL 41 OK 15 85 - 18 - 1.8/4904=5, ~4599=2...(5) HB ILE 33 - QG1 VAL 41 poor 9 89 - 11 - HB2 LYS 13 - QG1 VAL 41 lone 9 100 - 8 - 3.0/4904=1 HB2 LYS 83 - QG1 VAL 41 lone 8 100 - 8 - 3.0/4334=1, 4.3/5909=1 HB3 ARG 84 - QG1 VAL 41 lone 8 89 - 9 - 3.0/5626=3, ~5625=2, 4.0/5909=1 HB2 LYS 85 - QG1 VAL 41 lone 7 89 - 7 - HB2 PRO 34 - QG1 VAL 41 lone 5 99 - 5 - HB2 ARG 54 - QG1 VAL 41 lone 5 83 - 6 - 3871/4.1=1, 4.6/3822=1 HB3 ARG 82 - QG1 VAL 41 lone 4 83 - 5 - 3.0/5626=1 HG2 PRO 34 - QG1 VAL 41 lone 3 68 - 5 - Peak 4347 from cnoeabs.peaks (1.38, 0.94, 22.13 ppm; 4.26 A): 3 out of 13 assignments used, quality = 0.96: HG3 ARG 69 + QG2 VAL 41 OK 76 100 - 76 - 5253/3.2=19, 4778=11...(22) HB3 ARG 69 + QG2 VAL 41 OK 65 89 - 74 - 3.0/5130=11, ~5253=9...(22) HG3 LYS 73 + QG2 VAL 41 OK 54 97 - 56 - ~4904=14, 3.8/5625=9...(17) HG2 LYS 75 - QG2 VAL 41 OK 31 96 - 32 - 3.9/4337=3, 4344/2.1=3...(13) HG3 LYS 75 - QG2 VAL 41 OK 31 96 - 32 - 3.9/4337=3, 4344/2.1=3...(13) HG3 LYS 39 - QG2 VAL 41 OK 24 65 - 36 - 4.1/4337=6, ~5208=5...(12) QB ALA 53 - QG2 VAL 41 OK 14 92 - 15 - 2.1/5625=3, ~5627=3...(5) QB ALA 20 - QG2 VAL 41 OK 12 100 - 12 - 2.1/4337=2, ~4333=1...(4) HG2 LYS 85 - QG2 VAL 41 lone 7 100 - 7 - QB ALA 77 - QG2 VAL 41 lone 7 100 - 7 - 2.9/352=1 HG2 LYS 83 - QG2 VAL 41 lone 5 98 - 5 - QB ALA 78 - QG2 VAL 41 lone 4 97 - 4 - QB ALA 16 - QG2 VAL 41 lone 2 87 - 2 - Peak 4348 from cnoeabs.peaks (1.79, 0.94, 22.13 ppm; 5.15 A): 4 out of 15 assignments used, quality = 0.99: HB2 ARG 69 + QG2 VAL 41 OK 84 99 - 85 - ~5253=15, 3.0/5130=14...(25) HB3 LYS 73 + QG2 VAL 41 OK 63 87 - 72 - ~4904=16, 3.0/5625=15...(18) HB3 LYS 39 + QG2 VAL 41 OK 58 95 - 61 - 4.4/4330=20, 3.0/4337=10...(17) HB2 LYS 73 + QG2 VAL 41 OK 47 65 - 72 - ~4904=16, 3.0/5625=15...(19) HB3 LYS 75 - QG2 VAL 41 OK 42 99 - 43 - 3.0/4337=5, 4346/2.1=4...(17) HB2 LYS 32 - QG2 VAL 41 OK 16 78 - 20 - 4346/2.1=2, ~4345=2...(8) HB3 LYS 32 - QG2 VAL 41 OK 16 78 - 20 - 4346/2.1=2, ~4345=2...(8) HB ILE 89 - QG2 VAL 41 OK 15 63 - 24 - 3.0/5625=4, ~5626=3...(9) HB2 LYS 13 - QG2 VAL 41 OK 13 99 - 13 - 4346/2.1=1, 4.8/5130=1, ~4904=1 HB2 LEU 57 - QG2 VAL 41 OK 13 60 - 22 - ~4904=4, 1.8/4599=4...(9) HB3 ARG 84 - QG2 VAL 41 OK 13 99 - 13 - 3.0/5625=3, ~5626=2...(4) HB2 LYS 85 - QG2 VAL 41 OK 11 99 - 11 - HB2 LYS 83 - QG2 VAL 41 poor 10 93 - 10 - 3.0/4337=1, 4346/2.1=1, ~4334=1 HB ILE 33 - QG2 VAL 41 poor 8 65 - 12 - 4346/2.1=1, ~4223=1 HB2 PRO 34 - QG2 VAL 41 lone 7 90 - 8 - 130/4330=1 Peak 4349 from cnoeabs.peaks (2.10, 0.94, 22.13 ppm; 4.91 A): 4 out of 10 assignments used, quality = 0.94: HB ILE 40 + QG2 VAL 41 OK 56 63 - 90 - 3.9/4330=20, 4.5/1979=18...(28) HG3 PRO 36 + QG2 VAL 41 OK 56 100 - 56 - 2.3/1980=12, ~1975=9...(13) HG2 PRO 36 + QG2 VAL 41 OK 54 100 - 53 - 2.3/1980=12, ~1975=9...(12) HB2 PRO 36 + QG2 VAL 41 OK 31 60 - 51 - 3.0/1980=11, ~1975=8...(13) HB3 PRO 44 - QG2 VAL 41 OK 29 100 - 29 - 3.0/4404=4, 5216=4...(10) HB3 MET 31 - QG2 VAL 41 OK 23 71 - 32 - 4.0/3823=6, 1.8/1981=3...(12) HB2 PRO 56 - QG2 VAL 41 OK 11 99 - 11 - ~4340=3, 4350/2.1=2...(4) HG3 PRO 56 - QG2 VAL 41 lone 7 100 - 7 - 4350/2.1=1, ~4350=1 HB3 GLU 59 - QG2 VAL 41 lone 6 100 - 6 - 3.0/5364=2 HB2 GLU 59 - QG2 VAL 41 lone 6 100 - 6 - 3.0/5364=2 Peak 4350 from cnoeabs.peaks (2.10, 0.80, 21.38 ppm; 4.98 A): 4 out of 10 assignments used, quality = 0.93: HG3 PRO 36 + QG1 VAL 41 OK 55 100 - 55 - 2.3/1975=13, ~1980=9...(12) HB ILE 40 + QG1 VAL 41 OK 55 63 - 88 - 4.5/1974=16, 2.9/4903=12...(26) HG2 PRO 36 + QG1 VAL 41 OK 53 100 - 53 - 2.3/1975=13, ~1980=9...(11) HB2 PRO 36 + QG1 VAL 41 OK 30 60 - 50 - 3.0/1975=12, ~1980=8...(11) HB3 PRO 44 - QG1 VAL 41 OK 23 100 - 23 - 4349/2.1=4, ~5642=3...(9) HB3 MET 31 - QG1 VAL 41 OK 21 71 - 29 - 4.0/3822=6, 1.8/1976=3...(10) HB2 PRO 56 - QG1 VAL 41 OK 12 99 - 12 - 2.3/4340=5, 2400/4340=2 HG3 PRO 56 - QG1 VAL 41 OK 11 100 - 10 - 3.8/4340=4, 2421/4340=2...(4) HB3 GLU 59 - QG1 VAL 41 lone 5 100 - 5 - ~5364=1 HB2 GLU 59 - QG1 VAL 41 lone 5 100 - 5 - ~5364=1 Peak 4351 from cnoeabs.peaks (2.77, 0.80, 21.38 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.95: HB3 ASN 42 + QG1 VAL 41 OK 78 96 - 81 - 3.0/4340=33, 4.1/147=19...(12) HB2 ASN 42 + QG1 VAL 41 OK 76 93 - 81 - 3.0/4340=33, 4.1/147=19...(12) HB3 ASN 74 - QG1 VAL 41 OK 14 97 - 14 - 3.5/1974=4, 3.5/4331=3...(4) HB3 ASN 80 - QG1 VAL 41 lone 5 92 - 6 - 5623/4.0=2 Peak 4355 from cnoeabs.peaks (4.26, 2.76, 39.67 ppm; 4.52 A): 6 out of 28 assignments used, quality = 0.95: HA LYS 39 + HB3 ASN 42 OK 60 99 - 60 - 5202=19, 5790/4.1=17...(7) HA LYS 39 + HB2 ASN 42 OK 60 99 - 60 - 5202=19, 5790/4.1=17...(7) HA LEU 64 + HB3 ASN 42 OK 28 100 - 29 - 4694/4.4=13, 4354/4.1=5...(6) HA LEU 64 + HB2 ASN 42 OK 28 100 - 28 - 4694/4.4=13, 4354/4.1=5...(6) HA ASP 38 + HB3 ASN 42 OK 22 76 - 29 - 4357/3.5=12, 4356/3.5=12...(5) HA ASP 38 + HB2 ASN 42 OK 22 76 - 29 - 4357/3.5=12, 4356/3.5=12...(5) HA ALA 20 - HB3 ASN 42 lone 7 100 - 7 - 4354/4.1=1 HA ALA 20 - HB2 ASN 42 lone 7 100 - 7 - 4354/4.1=1 HA GLU 19 - HB3 ASN 42 lone 6 100 - 6 - 4354/4.1=1, 4357/3.5=1 HA GLU 19 - HB2 ASN 42 lone 6 100 - 6 - 4354/4.1=1, 4357/3.5=1 HA LYS 75 - HB3 ASN 42 lone 6 96 - 6 - 4354/4.1=2, 4371/4.4=1 HA LYS 75 - HB2 ASN 42 lone 6 95 - 6 - 4354/4.1=2, 4371/4.4=1 HA ALA 77 - HB3 ASN 42 lone 5 76 - 6 - 6046=2, 6046/1.8=1 HA ALA 77 - HB2 ASN 42 lone 5 76 - 6 - 6046=2, 6046/1.8=1 HA LYS 83 - HB3 ASN 42 lone 5 95 - 5 - 4371/4.4=2, 4354/4.1=1 HA LYS 83 - HB2 ASN 42 lone 5 94 - 5 - 4371/4.4=2, 4354/4.1=1 HA THR 15 - HB3 ASN 42 lone 4 97 - 4 - HA THR 15 - HB2 ASN 42 lone 4 97 - 4 - HA LYS 85 - HB3 ASN 42 lone 3 65 - 5 - 4371/4.4=3 HA LYS 85 - HB2 ASN 42 lone 3 65 - 5 - 4371/4.4=3 HA ALA 12 - HB3 ASN 42 lone 3 100 - 3 - HA ALA 12 - HB2 ASN 42 lone 3 100 - 3 - HA SER 60 - HB3 ASN 42 lone 2 78 - 3 - HA SER 60 - HB2 ASN 42 lone 2 78 - 3 - HA ARG 17 - HB3 ASN 42 lone 2 78 - 3 - HA ARG 17 - HB2 ASN 42 lone 2 78 - 3 - HA THR 88 - HB3 ASN 42 lone 2 73 - 2 - HA THR 88 - HB2 ASN 42 lone 2 73 - 2 - Peak 4360 from cnoeabs.peaks (1.95, 2.76, 39.67 ppm; 5.56 A): 8 out of 16 assignments used, quality = 0.93: HB VAL 41 + HB3 ASN 42 OK 60 73 - 82 - ~4340=27, 4.4/615=20...(11) HB VAL 41 + HB2 ASN 42 OK 60 73 - 82 - ~4340=27, 4.4/615=20...(11) HG LEU 57 + HB2 ASN 42 OK 13 100 - 13 - ~4990=4, 5308/3.5=2...(4) HG LEU 57 + HB3 ASN 42 OK 13 100 - 13 - ~4990=4, 5308/3.5=2...(4) HB2 LEU 64 + HB3 ASN 42 OK 13 87 - 15 - 3.0/4355=4, ~4355=3...(5) HB2 LEU 64 + HB2 ASN 42 OK 13 87 - 15 - 3.0/4355=4, ~4355=3...(5) HB2 MET 31 + HB3 ASN 42 OK 12 87 - 14 - 1530/4.1=5, 4906/3.5=4 HB2 MET 31 + HB2 ASN 42 OK 12 87 - 14 - 1530/4.1=5, 4906/3.5=4 HB3 ARG 66 - HB3 ASN 42 lone 6 96 - 6 - 4906/3.5=2 HB3 ARG 66 - HB2 ASN 42 lone 6 95 - 6 - 4906/3.5=2 HB2 GLN 79 - HB2 ASN 42 lone 4 94 - 4 - 4.2/5419=2 HB2 GLN 79 - HB3 ASN 42 lone 4 95 - 4 - 4.2/5419=2 HB3 ARG 70 - HB3 ASN 42 lone 4 100 - 4 - HB2 ARG 70 - HB3 ASN 42 lone 4 100 - 4 - HB2 ARG 70 - HB2 ASN 42 lone 4 100 - 4 - HB3 ARG 70 - HB2 ASN 42 lone 4 100 - 4 - Peak 4361 from cnoeabs.peaks (0.93, 2.76, 39.67 ppm; 4.98 A): 3 out of 20 assignments used, quality = 0.97: QG2 VAL 41 + HB3 ASN 42 OK 78 99 - 79 - ~4340=22, 4.1/615=18...(12) QG2 VAL 41 + HB2 ASN 42 OK 78 99 - 79 - ~4340=22, 4.1/615=18...(12) QG2 ILE 40 + HB3 ASN 42 OK 43 100 - 43 - 3816/3.5=13, 4.4/5623=11...(8) QG2 ILE 40 - HB2 ASN 42 OK 42 100 - 43 - 3816/3.5=13, 4.4/5623=11...(8) HG12 ILE 68 - HB3 ASN 42 OK 27 99 - 27 - 4366/3.5=6, 148/4.1=5...(9) HG12 ILE 68 - HB2 ASN 42 OK 27 99 - 27 - 4366/3.5=6, 148/4.1=5...(9) QD2 LEU 43 - HB3 ASN 42 OK 21 89 - 23 - 4.8/151=14, 148/4.1=4...(4) QD2 LEU 43 - HB2 ASN 42 OK 21 88 - 23 - 4.8/151=14, 148/4.1=4...(4) QD1 LEU 64 - HB3 ASN 42 OK 11 65 - 17 - 625/4.4=5, 3.9/4355=3...(6) QD1 LEU 64 - HB2 ASN 42 OK 11 65 - 17 - 625/4.4=5, 3.9/4355=3...(6) QD2 LEU 62 - HB3 ASN 42 lone 9 100 - 9 - 625/4.4=2, 148/4.1=2...(4) QD2 LEU 62 - HB2 ASN 42 lone 9 100 - 9 - 625/4.4=2, 148/4.1=2...(4) QG1 VAL 76 - HB3 ASN 42 lone 5 99 - 5 - QG2 VAL 76 - HB3 ASN 42 lone 5 99 - 5 - QG1 VAL 76 - HB2 ASN 42 lone 5 99 - 5 - QG2 VAL 76 - HB2 ASN 42 lone 5 99 - 5 - QG1 VAL 90 - HB3 ASN 42 lone 1 63 - 2 - QG1 VAL 90 - HB2 ASN 42 lone 1 63 - 2 - QG2 VAL 90 - HB3 ASN 42 lone 1 60 - 2 - QG2 VAL 90 - HB2 ASN 42 lone 1 60 - 2 - Peak 4362 from cnoeabs.peaks (0.79, 2.76, 39.67 ppm; 5.07 A): 2 out of 8 assignments used, quality = 0.98: QG1 VAL 41 + HB3 ASN 42 OK 85 100 - 85 - 4340/3.0=34, 4351=21...(12) QG1 VAL 41 + HB2 ASN 42 OK 85 100 - 85 - 4340/3.0=34, 4351=21...(12) QG2 ILE 68 - HB3 ASN 42 OK 29 89 - 33 - 5041/3.5=10, 4367/3.5=9...(6) QG2 ILE 68 - HB2 ASN 42 OK 29 88 - 33 - 5041/3.5=10, 4367/3.5=9...(6) QD1 ILE 68 - HB3 ASN 42 OK 20 97 - 21 - 147/4.1=7, 4364/3.5=5...(5) QD1 ILE 68 - HB2 ASN 42 OK 20 96 - 21 - 147/4.1=7, 4364/3.5=5...(5) QD1 ILE 89 - HB3 ASN 42 lone 7 85 - 8 - 147/4.1=2, 4364/3.5=2...(4) QD1 ILE 89 - HB2 ASN 42 lone 7 85 - 8 - 147/4.1=2, 4364/3.5=2...(4) Peak 4368 from cnoeabs.peaks (8.78, 1.72, 42.41 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.97: H PHE 48 + HB2 LEU 43 OK 95 100 - 95 - 4458=25, 4369/1.8=24...(25) H ASP 46 + HB2 LEU 43 OK 45 99 - 45 - 4369/1.8=14, 5638/3.1=10...(10) Peak 4369 from cnoeabs.peaks (8.77, 1.44, 42.41 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.98: H PHE 48 + HB3 LEU 43 OK 96 100 - 96 - 4368/1.8=28, 4459=24...(24) H ASP 46 + HB3 LEU 43 OK 56 100 - 56 - 4368/1.8=13, 4.6/4456=13...(12) Peak 4370 from cnoeabs.peaks (7.07, 0.83, 26.57 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.90: QD PHE 48 + QD1 LEU 43 OK 84 100 - 84 - 4624=19, 4919/2.1=16...(20) QD TYR 81 + QD1 LEU 43 OK 35 97 - 36 - 4919/2.1=9, 4921/3.1=7...(10) Peak 4373 from cnoeabs.peaks (4.04, 4.53, 53.96 ppm; 3.28 A): 3 out of 10 assignments used, quality = 0.96: HD2 PRO 44 + HA LEU 43 OK 87 100 - 87 - 3.8=66, 1.8/4399=20...(11) HA PHE 48 + HA LEU 43 OK 52 93 - 56 - 4468/4.1=7, 4465/3.0=6...(19) HD2 PRO 44 + HA LYS 13 OK 45 91 - 49 - 4398=16, 1.8/4399=11...(12) HA GLU 59 - HA LEU 43 OK 15 100 - 15 - 2056/3.8=3, 4637/3.0=3...(5) HA PHE 48 - HA LYS 13 poor 9 82 - 11 - 4387/2038=2, 4468/2031=1...(5) HA ALA 63 - HA LEU 43 lone 5 85 - 6 - 4376/3.0=2, 4377/3.0=1 HA GLU 59 - HA LYS 13 lone 4 92 - 4 - HA ALA 63 - HA LYS 13 lone 1 73 - 2 - HA ARG 26 - HA LEU 43 lone 1 68 - 2 - HA ARG 26 - HA LYS 13 lone 0 58 - 1 - Peak 4374 from cnoeabs.peaks (3.65, 4.53, 53.96 ppm; 3.13 A): 3 out of 8 assignments used, quality = 0.86: HD3 PRO 44 + HA LEU 43 OK 72 89 - 82 - 3.8=57, 1.8/4398=21...(10) HD3 PRO 44 + HA LYS 13 OK 33 77 - 43 - 1.8/4398=11, 4399=10...(12) HA ILE 40 + HA LEU 43 OK 23 85 - 28 - 4372/3.0=6, 4388/4.1=4...(11) HA VAL 65 - HA LEU 43 poor 8 81 - 10 - 4388/4.1=2, 4703/4.1=2...(4) HA ILE 40 - HA LYS 13 lone 7 73 - 9 - 4388/2038=1 HA ARG 69 - HA LYS 13 lone 5 65 - 7 - 2786/3.0=1 HA ARG 69 - HA LEU 43 lone 3 76 - 4 - 4372/3.0=1, 4703/4.1=1 HA VAL 65 - HA LYS 13 lone 2 69 - 3 - Peak 4375 from cnoeabs.peaks (3.66, 1.72, 42.41 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.98: HD3 PRO 44 + HB2 LEU 43 OK 96 96 - 100 - 4.8=100 HA ILE 40 + HB2 LEU 43 OK 54 73 - 73 - 4388/3.1=12, 4372/3.9=12...(20) HA VAL 65 - HB2 LEU 43 OK 31 68 - 45 - 4388/3.1=7, 4703/3.1=7...(16) HA ARG 69 - HB2 LEU 43 OK 10 63 - 16 - 4703/3.1=3, 4372/3.9=2...(6) Peak 4376 from cnoeabs.peaks (4.05, 1.72, 42.41 ppm; 4.55 A): 2 out of 7 assignments used, quality = 0.98: HD2 PRO 44 + HB2 LEU 43 OK 93 95 - 99 - 4.8=85, 4398/3.0=26...(27) HA PHE 48 + HB2 LEU 43 OK 73 78 - 93 - 3.0/4368=20, 3.0/4382=20...(28) HA GLU 59 - HB2 LEU 43 OK 29 99 - 29 - 5364/3.1=6, 4637=6...(7) HA ALA 63 - HB2 LEU 43 OK 23 97 - 24 - 5370/3.0=3, ~4681=3...(9) HA ARG 26 - HB2 LEU 43 lone 6 87 - 7 - HA ARG 71 - HB2 LEU 43 lone 6 71 - 8 - 2.9/307=1, ~5835=1, ~5834=1 HA VAL 90 - HB2 LEU 43 lone 4 71 - 5 - ~414=2 Peak 4377 from cnoeabs.peaks (4.04, 1.44, 42.41 ppm; 4.58 A): 2 out of 6 assignments used, quality = 1.00: HD2 PRO 44 + HB3 LEU 43 OK 99 100 - 99 - 4.8=87, 1.8/4378=33...(28) HA PHE 48 + HB3 LEU 43 OK 91 97 - 95 - 4465=19, 3.0/4369=19...(28) HA GLU 59 - HB3 LEU 43 OK 27 100 - 27 - 4637/1.8=6, 5364/3.1=6...(6) HA ALA 63 - HB3 LEU 43 OK 16 78 - 20 - 4376/1.8=4, ~4681=3...(9) HA ARG 26 - HB3 LEU 43 lone 4 60 - 7 - 3.6/5519=2 HB2 SER 22 - HB3 LEU 43 lone 3 60 - 6 - Peak 4378 from cnoeabs.peaks (3.67, 1.44, 42.41 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.98: HD3 PRO 44 + HB3 LEU 43 OK 98 99 - 99 - 4.8=88, 4399/3.0=26...(26) HA VAL 45 - HB3 LEU 43 OK 17 60 - 29 - 3.5/4369=10, 2050/4.8=5...(10) Peak 4379 from cnoeabs.peaks (2.87, 1.44, 42.41 ppm; 5.28 A): 2 out of 5 assignments used, quality = 0.94: HB3 PHE 48 + HB3 LEU 43 OK 92 95 - 97 - 4382/1.8=30, 2.5/5639=22...(27) HB2 ASN 49 + HB3 LEU 43 OK 27 60 - 45 - 1.8/4912=14, ~6129=10...(11) HB2 PHE 35 - HB3 LEU 43 OK 22 90 - 25 - 4382/1.8=7, ~4913=4...(8) HB3 ASP 67 - HB3 LEU 43 OK 15 60 - 25 - 4382/1.8=7, ~4744=5...(6) HB2 ASP 67 - HB3 LEU 43 OK 14 60 - 23 - ~4382=5, 4744/3.1=4...(6) Peak 4380 from cnoeabs.peaks (2.60, 1.44, 42.41 ppm; 4.63 A): 3 out of 6 assignments used, quality = 0.97: HB3 ASP 47 + HB3 LEU 43 OK 91 99 - 93 - 1.8/4912=27, 4381/1.8=19...(19) HG2 MET 31 + HB3 LEU 43 OK 43 65 - 66 - 4389/3.1=8, 4197=8...(22) HG2 GLN 61 + HB3 LEU 43 OK 39 100 - 39 - 4397/4.8=9, 4381/1.8=8...(9) HB3 ASP 24 - HB3 LEU 43 OK 35 97 - 35 - 4381/1.8=7, 4389/3.1=5...(11) HB2 ASP 38 - HB3 LEU 43 lone 7 76 - 9 - 4389/3.1=1, 4381/1.8=1...(4) HB3 ASP 38 - HB3 LEU 43 lone 6 73 - 9 - 4389/3.1=1, ~4890=1, ~4891=1 Peak 4381 from cnoeabs.peaks (2.59, 1.72, 42.41 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.96: HB3 ASP 47 + HB2 LEU 43 OK 94 100 - 94 - 1.8/6129=26, ~4912=23...(18) HG2 GLN 61 + HB2 LEU 43 OK 39 97 - 40 - 4397/4.8=10, 4396/4.8=8...(10) HB3 ASP 24 - HB2 LEU 43 OK 35 100 - 34 - 4380/1.8=7, 5356/3.1=6...(9) HB2 ASP 38 - HB2 LEU 43 poor 6 57 - 11 - 4380/1.8=1, 4389/3.1=1...(4) Peak 4382 from cnoeabs.peaks (2.86, 1.72, 42.41 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.89: HB3 PHE 48 + HB2 LEU 43 OK 82 87 - 95 - 2.5/4921=22, 4.0/4368=19...(26) HB2 PHE 35 + HB2 LEU 43 OK 21 97 - 21 - 4379/1.8=5, ~4913=4...(8) HB3 ASP 67 + HB2 LEU 43 OK 18 73 - 25 - ~4744=4, ~4913=4...(7) Peak 4384 from cnoeabs.peaks (3.96, 0.84, 25.67 ppm; 3.49 A): 8 out of 12 assignments used, quality = 0.93: HA ALA 28 + QD2 LEU 64 OK 52 100 - 52 - 4173=13, 2.1/5162=12...(12) HA GLN 61 + QD2 LEU 64 OK 37 98 - 38 - 3.0/5311=6, 5232/3.1=4...(12) HA2 GLY 21 + QD2 LEU 64 OK 28 100 - 28 - 5794/2.1=3, 2.9/3918=3...(14) HA3 GLY 21 + QD2 LEU 64 OK 28 100 - 28 - 5794/2.1=3, 2.9/3918=3...(14) HA ARG 66 + QD2 LEU 64 OK 27 81 - 33 - 3.0/6103=4, 2679/3.1=3...(11) HA VAL 76 + QD2 LEU 64 OK 16 96 - 17 - 6044/3.1=3, 5794/2.1=2...(6) HA LYS 32 + QD2 LEU 64 OK 15 81 - 19 - 3.6/5559=4, 3.0/5014=3...(5) HA GLU 50 + QD2 LEU 64 OK 15 99 - 15 - 4941/4.4=3, 4504=2...(4) HA2 GLY 72 - QD2 LEU 64 lone 9 99 - 9 - 5794/2.1=1 HA THR 37 - QD2 LEU 64 lone 7 83 - 9 - 5603/4.4=2 HA3 GLY 18 - QD2 LEU 64 lone 6 65 - 10 - 3.0/3918=2, ~3919=1 HA2 GLY 18 - QD2 LEU 64 lone 6 63 - 10 - 3.0/3918=2, ~3919=1 Peak 4387 from cnoeabs.peaks (4.03, 0.94, 22.80 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.94: HA PHE 48 + QD2 LEU 43 OK 78 100 - 78 - 4468/2.1=14, 3.0/5638=10...(28) HD2 PRO 44 + QD2 LEU 43 OK 73 99 - 74 - 1.8/4388=20, 3.8/2038=14...(21) HA GLU 59 - QD2 LEU 43 OK 18 92 - 19 - 5364=4, 4637/3.1=3...(7) HA ARG 54 - QD2 LEU 43 OK 16 78 - 20 - 3.0/2037=4, 5295/2.1=3...(8) HA ARG 70 - QD2 LEU 43 lone 5 63 - 8 - ~5831=1, 5295/2.1=1...(4) HB2 SER 22 - QD2 LEU 43 lone 4 85 - 5 - 4521/4916=1 Peak 4388 from cnoeabs.peaks (3.66, 0.94, 22.80 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.83: HD3 PRO 44 + QD2 LEU 43 OK 68 98 - 70 - 4378/3.1=15, 3.8/2038=15...(18) HA ILE 40 + QD2 LEU 43 OK 32 65 - 49 - 4703/2.1=6, 3.0/4918=6...(22) HA VAL 65 + QD2 LEU 43 OK 19 60 - 31 - 3.0/270=5, 4703/2.1=4...(13) Peak 4389 from cnoeabs.peaks (2.60, 0.94, 22.80 ppm; 3.65 A): 4 out of 6 assignments used, quality = 0.90: HB3 ASP 47 + QD2 LEU 43 OK 76 97 - 79 - 1.8/4907=26, 4448=13...(16) HG2 MET 31 + QD2 LEU 43 OK 34 73 - 46 - 3.3/5073=7, 4198/2.1=6...(17) HB3 ASP 24 + QD2 LEU 43 OK 22 95 - 23 - 1.8/5508=5, 4381/3.1=3...(7) HG2 GLN 61 + QD2 LEU 43 OK 21 100 - 21 - 4381/3.1=4, 4380/3.1=3...(8) HB2 ASP 38 - QD2 LEU 43 lone 5 83 - 6 - 3.0/4890=1 HB3 ASP 38 - QD2 LEU 43 lone 5 81 - 6 - 3.0/4890=1 Peak 4390 from cnoeabs.peaks (4.24, 1.99, 26.77 ppm; 4.45 A): 4 out of 36 assignments used, quality = 0.79: HA LEU 64 + HG LEU 43 OK 54 71 - 77 - 5357/2.1=14, 2618/2.1=9...(26) HA LYS 85 + HG LEU 43 OK 30 99 - 31 - 5357/2.1=6, 3428/3.0=3...(12) HA LYS 39 + HG LEU 43 OK 25 92 - 27 - 6081/5.3=8, 5357/2.1=7...(7) HA LYS 83 + HG LEU 43 OK 13 99 - 13 - 5357/2.1=3, 4371/5.3=1 HA LEU 64 - HG2 PRO 14 poor 10 37 - 27 - 3.6/266=2, 3.0/2628=2...(12) HA LEU 64 - HG3 PRO 14 poor 10 37 - 27 - 3.6/266=2, 3.0/2628=2...(12) HA LYS 75 - HG LEU 43 lone 9 98 - 9 - 5357/2.1=2 HA THR 15 - HG LEU 43 lone 9 97 - 9 - 4.9/1104=2, 3.0/5906=2...(4) HB THR 37 - HG2 PRO 14 poor 8 56 - 14 - ~4275=4, ~5600=3...(5) HB THR 37 - HG3 PRO 14 poor 8 56 - 14 - ~4275=4, ~5600=3...(5) HB THR 37 - HG LEU 43 lone 6 96 - 7 - 5357/2.1=1, 4882/2.1=1 HA THR 15 - HG3 PRO 14 poor 6 57 - 11 - 3.0/5906=6, ~5906=4 HA THR 15 - HG2 PRO 14 poor 6 57 - 11 - 3.0/5906=6, ~5906=4 HA LYS 39 - HG2 PRO 14 lone 3 52 - 7 - ~4820=1, 6081/623=1 HA LYS 39 - HG3 PRO 14 lone 3 52 - 7 - ~4820=1, 6081/623=1 HA ALA 77 - HG LEU 43 lone 3 100 - 3 - HA LYS 85 - HG3 PRO 14 lone 3 61 - 5 - ~4820=1 HA LYS 85 - HG2 PRO 14 lone 3 61 - 5 - ~4820=1 HA LYS 75 - HG2 PRO 14 lone 3 59 - 5 - ~4820=1, ~4813=1 HA LYS 75 - HG3 PRO 14 lone 3 59 - 5 - ~4820=1, ~4813=1 HA GLU 19 - HG LEU 43 lone 3 78 - 3 - HA LYS 83 - HG3 PRO 14 lone 2 60 - 4 - HA LYS 83 - HG2 PRO 14 lone 2 60 - 4 - HA ALA 20 - HG LEU 43 lone 2 68 - 3 - HA ALA 12 - HG2 PRO 14 lone 2 40 - 5 - ~5923=2 HA ALA 12 - HG3 PRO 14 lone 2 40 - 5 - ~5923=2 HA ALA 12 - HG LEU 43 lone 2 76 - 2 - HA ALA 77 - HG3 PRO 14 lone 1 62 - 2 - HA ALA 77 - HG2 PRO 14 lone 1 62 - 2 - HA GLU 19 - HG3 PRO 14 lone 1 42 - 3 - HA GLU 19 - HG2 PRO 14 lone 1 42 - 3 - HA ALA 78 - HG LEU 43 lone 1 60 - 1 - HA ALA 20 - HG2 PRO 14 lone 1 35 - 2 - HA ALA 20 - HG3 PRO 14 lone 1 35 - 2 - HA ALA 78 - HG2 PRO 14 lone 1 31 - 2 - HA ALA 78 - HG3 PRO 14 lone 1 31 - 2 - Peak 4392 from cnoeabs.peaks (7.26, 2.48, 32.30 ppm; 4.66 A): 5 out of 6 assignments used, quality = 0.91: H ASP 47 + HB2 PRO 44 OK 77 98 - 78 - 4393/1.8=23, 6064/2.3=23...(12) H ILE 40 + HB2 PRO 44 OK 29 90 - 32 - 4393/1.8=9, 4394/2.3=8...(5) HE ARG 54 + HB2 PRO 44 OK 24 99 - 24 - 4393/1.8=7, 5651/4.2=6...(6) H ILE 40 + HB3 PRO 36 OK 15 46 - 33 - 603/1.8=11, ~1924=6...(10) H ASP 47 + HB3 PRO 36 OK 14 53 - 26 - 6064/1.8=6, 6064/2087=3...(11) HE ARG 54 - HB3 PRO 36 lone 4 55 - 7 - Peak 4393 from cnoeabs.peaks (7.26, 2.09, 32.30 ppm; 4.42 A): 3 out of 6 assignments used, quality = 0.89: H ASP 47 + HB3 PRO 44 OK 80 99 - 80 - 6064/2.3=22, 4431=18...(17) H ILE 40 + HB3 PRO 44 OK 30 85 - 35 - 4395/2.3=7, 4394/2.3=7...(8) HE ARG 54 + HB3 PRO 44 OK 23 100 - 23 - 4392/1.8=5, 5651/4.2=5...(6) H ASP 47 - HB3 MET 31 poor 8 45 - 17 - 6130/4.0=4, 4431=3...(5) H ILE 40 - HB3 MET 31 lone 1 34 - 3 - HE ARG 54 - HB3 MET 31 lone 1 46 - 2 - Peak 4394 from cnoeabs.peaks (7.25, 2.05, 27.95 ppm; 5.39 A): 3 out of 3 assignments used, quality = 0.90: H ASP 47 + HG2 PRO 44 OK 78 90 - 87 - 6064/1.8=25, 4393/2.3=24...(20) H ILE 40 + HG2 PRO 44 OK 40 98 - 41 - 4393/2.3=9, 4395/1.8=9...(8) HE ARG 54 + HG2 PRO 44 OK 23 95 - 24 - 4393/2.3=7, 4392/2.3=7 Peak 4395 from cnoeabs.peaks (7.27, 2.14, 27.95 ppm; 5.05 A): 3 out of 3 assignments used, quality = 0.90: H ASP 47 + HG3 PRO 44 OK 82 100 - 82 - 6064=28, 4393/2.3=24...(11) H ILE 40 + HG3 PRO 44 OK 34 71 - 48 - 4393/2.3=9, 4394/1.8=8...(11) HE ARG 54 + HG3 PRO 44 OK 20 100 - 20 - 4393/2.3=7, 4392/2.3=6 Peak 4396 from cnoeabs.peaks (2.60, 4.04, 50.94 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.97: HB3 ASP 47 + HD2 PRO 44 OK 86 97 - 89 - ~5644=26, 1.8/5645=25...(15) HG2 GLN 61 + HD2 PRO 44 OK 77 100 - 77 - 4397/1.8=16, 2553/2.3=16...(20) HB3 ASP 24 - HD2 PRO 44 OK 31 95 - 32 - 4397/1.8=6, 4381/4.8=4...(11) HG2 MET 31 - HD2 PRO 44 OK 23 73 - 31 - 4380/4.8=5, 1545/3.0=3...(11) HB2 ASP 38 - HD2 PRO 44 poor 9 83 - 11 - 4397/1.8=1, 5135/2.3=1 HB3 ASP 38 - HD2 PRO 44 poor 8 81 - 10 - 4397/1.8=1, 5135/2.3=1...(4) Peak 4397 from cnoeabs.peaks (2.59, 3.67, 50.94 ppm; 4.43 A): 2 out of 5 assignments used, quality = 0.95: HB3 ASP 47 + HD3 PRO 44 OK 83 100 - 84 - 1.8/5644=29, 4437=18...(15) HG2 GLN 61 + HD3 PRO 44 OK 70 99 - 71 - 2553/2.3=14, 4396/1.8=11...(21) HB3 ASP 24 - HD3 PRO 44 OK 26 99 - 26 - 4396/1.8=4, 4437=4...(9) HB2 ASP 38 - HD3 PRO 44 lone 6 65 - 9 - 4396/1.8=1, 5135/2.3=1 HB3 ASP 38 - HD3 PRO 44 lone 5 63 - 8 - 4396/1.8=1, ~4396=1 Peak 4398 from cnoeabs.peaks (4.53, 4.04, 50.94 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.94: HA LEU 43 + HD2 PRO 44 OK 88 100 - 88 - 3.8=68, 4399/1.8=20...(11) HA LYS 13 + HD2 PRO 44 OK 46 99 - 46 - 4399/1.8=11, 4373=10...(12) Peak 4399 from cnoeabs.peaks (4.53, 3.67, 50.94 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.98: HA LEU 43 + HD3 PRO 44 OK 97 100 - 97 - 3.8=89, 4398/1.8=27...(10) HA LYS 13 + HD3 PRO 44 OK 52 99 - 53 - 4398/1.8=14, 4374=10...(11) Peak 4400 from cnoeabs.peaks (1.44, 4.04, 50.94 ppm; 4.91 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 43 + HD2 PRO 44 OK 100 100 - 100 - 4.8=100 HG2 LYS 13 - HD2 PRO 44 OK 44 87 - 50 - 3.9/4398=13, 1020/3.8=10...(12) HG3 LYS 13 - HD2 PRO 44 OK 42 92 - 46 - 3.9/4398=13, 1030/3.8=6...(11) HG13 ILE 89 - HD2 PRO 44 OK 31 100 - 31 - 2012/4.8=5, 4403/1.8=5...(11) HG3 LYS 85 - HD2 PRO 44 OK 18 96 - 19 - 1030/3.8=3, 4403/1.8=3...(7) HG12 ILE 33 - HD2 PRO 44 OK 16 100 - 16 - ~4224=3, 4403/1.8=2...(5) QB ALA 30 - HD2 PRO 44 OK 15 100 - 15 - 4843/4.8=3, 4403/1.8=2...(4) HB3 LEU 57 - HD2 PRO 44 poor 7 65 - 10 - ~5954=3, ~5215=2 Peak 4401 from cnoeabs.peaks (0.93, 4.04, 50.94 ppm; 3.88 A): 4 out of 8 assignments used, quality = 0.94: QD2 LEU 43 + HD2 PRO 44 OK 79 97 - 82 - 4388/1.8=23, 4387=18...(21) QG2 ILE 40 + HD2 PRO 44 OK 47 100 - 47 - 4404/1.8=7, 1938/2.3=7...(18) QD2 LEU 62 + HD2 PRO 44 OK 30 100 - 30 - 4679=5, 4404/1.8=4...(13) QD1 LEU 64 + HD2 PRO 44 OK 28 81 - 35 - 2022/4.8=4, 2015/4.8=4...(13) QG2 VAL 41 - HD2 PRO 44 OK 21 100 - 21 - 4404/1.8=3, 625/4.8=3...(9) HG12 ILE 68 - HD2 PRO 44 OK 11 95 - 12 - 4404/1.8=2, 3.2/4402=1, ~5042=1 QG2 VAL 76 - HD2 PRO 44 OK 10 95 - 10 - 4404/1.8=2, ~4404=1 QG1 VAL 76 - HD2 PRO 44 OK 10 95 - 10 - 4404/1.8=2, ~4404=1 Peak 4402 from cnoeabs.peaks (0.82, 4.04, 50.94 ppm; 5.26 A): 2 out of 8 assignments used, quality = 0.96: QD1 LEU 43 + HD2 PRO 44 OK 93 99 - 94 - 4.1/4398=27, ~4378=24...(26) QD2 LEU 64 + HD2 PRO 44 OK 44 78 - 56 - 4405/1.8=8, 624/4.8=7...(17) QD1 ILE 89 - HD2 PRO 44 OK 35 96 - 37 - 5274/4.8=7, 2.1/4400=5...(10) QG2 ILE 89 - HD2 PRO 44 OK 32 85 - 38 - 2021/4.8=6, 2014/4.8=5...(11) QD2 LEU 29 - HD2 PRO 44 OK 28 78 - 36 - 4405/1.8=5, 3.1/4925=4...(12) QG2 ILE 68 - HD2 PRO 44 OK 22 93 - 23 - 4753/3.0=3, 4405/1.8=2...(10) QG1 VAL 41 - HD2 PRO 44 OK 18 65 - 27 - 2.1/4401=4, ~4404=4...(9) QD2 LEU 86 - HD2 PRO 44 OK 17 97 - 17 - 4405/1.8=2, 2014/4.8=2...(5) Peak 4403 from cnoeabs.peaks (1.44, 3.67, 50.94 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: HB3 LEU 43 + HD3 PRO 44 OK 100 100 - 100 - 4.8=94, 3.0/4399=27...(27) HG2 LYS 13 + HD3 PRO 44 OK 46 96 - 48 - 3.9/4399=12, 1020/3.8=10...(12) HG3 LYS 13 - HD3 PRO 44 OK 34 81 - 42 - 3.9/4399=12, 4400/1.8=6...(12) HG13 ILE 89 - HD3 PRO 44 OK 30 100 - 30 - 2012/4.8=5, 4400/1.8=4...(9) HG3 LYS 85 - HD3 PRO 44 OK 15 87 - 18 - 2.9/4924=2, 4400/1.8=2...(6) HG12 ILE 33 - HD3 PRO 44 OK 14 98 - 15 - ~4224=3, 4400/1.8=2...(4) QB ALA 30 - HD3 PRO 44 OK 13 97 - 13 - 4843/4.8=3, 4400/1.8=2 Peak 4404 from cnoeabs.peaks (0.93, 3.67, 50.94 ppm; 4.31 A): 4 out of 10 assignments used, quality = 0.93: QD2 LEU 43 + HD3 PRO 44 OK 75 89 - 84 - 4388=25, 3.1/4378=23...(21) QG2 ILE 40 + HD3 PRO 44 OK 52 100 - 52 - 4401/1.8=8, 1938/2.3=7...(17) QD2 LEU 62 + HD3 PRO 44 OK 27 100 - 27 - 4679/1.8=6, ~4678=3...(13) QD1 LEU 64 + HD3 PRO 44 OK 25 65 - 38 - 2.1/4405=5, 4401/1.8=5...(12) QG2 VAL 41 - HD3 PRO 44 OK 24 99 - 25 - 4401/1.8=4, 625/4.8=3...(11) HG12 ILE 68 - HD3 PRO 44 OK 13 99 - 13 - 4401/1.8=2, ~5042=1...(5) QG2 VAL 76 - HD3 PRO 44 OK 12 99 - 12 - 4401/1.8=2, ~4401=1, 2.1/2054=1 QG1 VAL 76 - HD3 PRO 44 OK 12 99 - 12 - 4401/1.8=2, ~4401=1, 2.1/2054=1 QG1 VAL 90 - HD3 PRO 44 lone 1 63 - 2 - QG2 VAL 90 - HD3 PRO 44 lone 1 60 - 2 - Peak 4405 from cnoeabs.peaks (0.83, 3.67, 50.94 ppm; 4.98 A): 2 out of 7 assignments used, quality = 0.96: QD1 LEU 43 + HD3 PRO 44 OK 92 100 - 92 - 3.1/4378=30, 2.1/4388=28...(22) QD2 LEU 64 + HD3 PRO 44 OK 50 97 - 52 - 5029/4.8=7, 624/4.8=6...(16) QG2 ILE 89 - HD3 PRO 44 OK 35 99 - 35 - 3616/4.8=6, 2014/4.8=5...(10) QD2 LEU 29 - HD3 PRO 44 OK 31 97 - 32 - 3.1/4924=5, 2014/4.8=4...(13) QD1 ILE 89 - HD3 PRO 44 OK 25 76 - 33 - 5274/4.8=5, 2.1/4403=5...(10) QD2 LEU 86 - HD3 PRO 44 OK 15 100 - 15 - 4402/1.8=2, 2014/4.8=2...(5) QG2 ILE 68 - HD3 PRO 44 OK 15 71 - 21 - 4402/1.8=3, 4753/3.0=2...(8) Peak 4406 from cnoeabs.peaks (2.88, 3.69, 66.64 ppm; 4.04 A): 2 out of 4 assignments used, quality = 0.97: HB3 PHE 48 + HA VAL 45 OK 91 100 - 91 - 1.8/4407=41, 2.5/4418=24...(21) HB2 ASN 49 + HA VAL 45 OK 71 93 - 76 - 4.0/4487=14, ~4423=11...(21) HB2 ASP 67 - HA VAL 45 OK 17 93 - 18 - 4744/3.2=3, ~4417=3...(6) HB3 PHE 35 - HA VAL 45 poor 9 65 - 13 - 4866=2, 2146/4407=2...(6) Peak 4407 from cnoeabs.peaks (3.11, 3.69, 66.64 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.77: HB2 PHE 48 + HA VAL 45 OK 77 92 - 83 - 2.5/4418=21, 4455=17...(20) Peak 4408 from cnoeabs.peaks (2.89, 1.07, 22.09 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.99: HB2 ASN 49 + QG2 VAL 45 OK 94 100 - 94 - 3.5/4420=39, 3.5/4422=31...(18) HB3 PHE 48 + QG2 VAL 45 OK 91 95 - 97 - 1.8/4409=37, 2.5/4421=37...(19) HB2 ASP 67 - QG2 VAL 45 OK 35 100 - 34 - 3.0/4416=8, ~4417=6...(9) HB3 PHE 35 - QG2 VAL 45 OK 17 90 - 18 - 4412/2.1=2, 2154/4421=2...(6) Peak 4409 from cnoeabs.peaks (3.13, 1.07, 22.09 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.95: HB2 PHE 48 + QG2 VAL 45 OK 95 100 - 95 - 2.5/4421=36, 4407/3.2=33...(19) HD2 ARG 71 - QG2 VAL 45 lone 3 92 - 3 - HD2 ARG 84 - QG2 VAL 45 lone 3 78 - 4 - HD3 ARG 84 - QG2 VAL 45 lone 2 73 - 3 - HD2 ARG 82 - QG2 VAL 45 lone 2 76 - 2 - Peak 4410 from cnoeabs.peaks (2.53, 0.99, 19.47 ppm; 4.95 A): 4 out of 4 assignments used, quality = 0.82: HB3 ASP 46 + QG1 VAL 45 OK 63 78 - 81 - 4.0/166=33, 3.0/4417=26...(9) HB2 GLN 61 + QG1 VAL 45 OK 31 100 - 31 - 5771=11, 1.8/5770=6...(8) HG3 MET 31 + QG1 VAL 45 OK 20 100 - 20 - 4601/2448=2, 4848/2462=2...(9) HB2 ASP 24 + QG1 VAL 45 OK 13 60 - 22 - 634/4.2=6, 3.0/4417=6...(5) Peak 4411 from cnoeabs.peaks (2.68, 0.99, 19.47 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.99: HB3 ASN 49 + QG1 VAL 45 OK 94 100 - 94 - 3.5/4423=39, 3.5/4425=29...(18) HB2 ASP 46 + QG1 VAL 45 OK 74 90 - 82 - 4.0/166=33, 1.8/4445=26...(11) HB2 ASP 47 + QG1 VAL 45 OK 52 89 - 58 - 4.1/4424=19, 4.3/3837=15...(12) HB2 ASN 80 - QG1 VAL 45 lone 3 83 - 3 - Peak 4412 from cnoeabs.peaks (2.89, 0.99, 19.47 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: HB3 PHE 48 + QG1 VAL 45 OK 96 99 - 98 - ~4407=35, 2.5/5656=31...(23) HB2 ASN 49 + QG1 VAL 45 OK 95 99 - 97 - 3.5/4423=44, 3.5/4425=33...(18) HB2 ASP 67 - QG1 VAL 45 OK 38 99 - 38 - 3.0/4417=11, 4408/2.1=6...(11) HB3 PHE 35 - QG1 VAL 45 OK 18 81 - 22 - 4408/2.1=3, 5.8/4591=2...(8) Peak 4414 from cnoeabs.peaks (4.56, 3.69, 66.64 ppm; 5.51 A): 1 out of 3 assignments used, quality = 0.95: HA PRO 44 + HA VAL 45 OK 95 99 - 96 - 155/3.0=47, 4415/3.0=38...(19) HA LEU 43 - HA VAL 45 poor 8 63 - 13 - 3.8/2050=6, 3.0/4378=4 HA LYS 13 - HA VAL 45 lone 6 83 - 8 - 4415/3.0=2, 155/3.0=2 Peak 4415 from cnoeabs.peaks (4.56, 2.06, 31.70 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.92: HA PRO 44 + HB VAL 45 OK 92 100 - 92 - 5650/2.1=39, 155/3.9=38...(17) HA LYS 13 - HB VAL 45 lone 4 73 - 6 - 4414/3.0=2, 155/3.9=1 Peak 4416 from cnoeabs.peaks (4.50, 1.07, 22.09 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.94: HA ASP 46 + QG2 VAL 45 OK 92 100 - 92 - 3.0/165=38, 4417/2.1=27...(18) HA ASP 67 + QG2 VAL 45 OK 32 85 - 38 - 4417/2.1=10, 632/4.2=6...(12) HA ASP 24 - QG2 VAL 45 OK 23 98 - 24 - 632/4.2=7, 4417/2.1=6...(7) Peak 4417 from cnoeabs.peaks (4.49, 0.99, 19.47 ppm; 3.92 A): 3 out of 4 assignments used, quality = 0.92: HA ASP 46 + QG1 VAL 45 OK 86 100 - 86 - 3.0/166=30, 4433=26...(19) HA ASP 67 + QG1 VAL 45 OK 32 96 - 34 - 4433=9, 4416/2.1=6...(11) HA ASP 24 + QG1 VAL 45 OK 20 100 - 20 - 632/4.2=5, 4416/2.1=4...(8) HA TYR 81 - QG1 VAL 45 lone 3 60 - 4 - 3.7/5656=3 Peak 4418 from cnoeabs.peaks (7.06, 3.69, 66.64 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.93: QD PHE 48 + HA VAL 45 OK 91 100 - 91 - 2.5/4407=41, 4421/3.2=27...(18) QD TYR 81 + HA VAL 45 OK 17 90 - 18 - 4421/3.2=5, 2148/4407=4...(6) Peak 4419 from cnoeabs.peaks (6.01, 3.69, 66.64 ppm; 5.49 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4420 from cnoeabs.peaks (7.83, 1.07, 22.09 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.90: HD22 ASN 49 + QG2 VAL 45 OK 90 100 - 90 - 4499=50, 4423/2.1=35...(12) Peak 4421 from cnoeabs.peaks (7.07, 1.07, 22.09 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.91: QD PHE 48 + QG2 VAL 45 OK 90 100 - 90 - 2.2/5652=26, 2.5/4409=24...(16) QD TYR 81 + QG2 VAL 45 OK 17 97 - 17 - 5656/2.1=4, 4418/3.2=4...(6) Peak 4422 from cnoeabs.peaks (6.85, 1.07, 22.09 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.86: HD21 ASN 49 + QG2 VAL 45 OK 83 96 - 87 - 1.7/4499=37, 4497=28...(12) HE22 GLN 79 + QG2 VAL 45 OK 20 98 - 20 - 4497=7, 4425/2.1=7...(4) HE22 GLN 61 - QG2 VAL 45 lone 3 78 - 4 - 4425/2.1=2 Peak 4423 from cnoeabs.peaks (7.82, 0.99, 19.47 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.86: HD22 ASN 49 + QG1 VAL 45 OK 86 97 - 88 - 4500=42, 4420/2.1=34...(12) Peak 4424 from cnoeabs.peaks (7.26, 0.99, 19.47 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.93: H ASP 47 + QG1 VAL 45 OK 88 99 - 89 - 4.6/166=28, 3.6/4417=23...(19) HE ARG 54 + QG1 VAL 45 OK 32 100 - 32 - 5653/2.1=8, 4930/3.2=7...(8) H ILE 40 + QG1 VAL 45 OK 11 85 - 13 - 919/4.2=2, 4930/3.2=2...(4) Peak 4425 from cnoeabs.peaks (6.86, 0.99, 19.47 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.90: HD21 ASN 49 + QG1 VAL 45 OK 87 99 - 88 - 1.7/4423=38, 4498=30...(12) HE22 GLN 79 + QG1 VAL 45 OK 21 100 - 21 - 4498=8, 4422/2.1=6...(6) HE22 GLN 61 - QG1 VAL 45 poor 7 65 - 11 - 4.6/4410=4, 4.6/5770=2...(4) Peak 4430 from cnoeabs.peaks (2.08, 2.55, 39.53 ppm; 5.84 A): 3 out of 12 assignments used, quality = 0.91: HB VAL 45 + HB3 ASP 46 OK 81 96 - 85 - 2.1/4445=32, 4.4/634=31...(10) HB3 PRO 44 + HB3 ASP 46 OK 42 95 - 44 - 4393/4.6=20, 5131/4.0=16...(6) HB3 MET 31 + HB3 ASP 46 OK 20 99 - 20 - 4440/1.8=3, 4431/4.6=2...(9) HG2 PRO 44 - HB3 ASP 46 OK 16 57 - 29 - 4394/4.6=10, 164/4.0=7...(6) HB2 PRO 56 - HB3 ASP 46 OK 12 97 - 12 - 4431/4.6=4, 164/4.0=2...(5) HG3 PRO 56 - HB3 ASP 46 OK 12 95 - 12 - 4431/4.6=4, 164/4.0=2...(5) HB3 GLU 25 - HB3 ASP 46 OK 11 76 - 14 - 4.0/52=9, 4440/1.8=1 HB2 GLU 25 - HB3 ASP 46 OK 11 73 - 14 - 4.0/52=9, 4440/1.8=1 HG2 PRO 36 - HB3 ASP 46 lone 7 90 - 8 - 4431/4.6=3, 4440/1.8=1 HG3 PRO 36 - HB3 ASP 46 lone 6 87 - 7 - 4431/4.6=2 HB3 GLU 59 - HB3 ASP 46 lone 5 93 - 5 - 4431/4.6=1 HB2 GLU 59 - HB3 ASP 46 lone 5 93 - 5 - 4431/4.6=1 Peak 4433 from cnoeabs.peaks (0.98, 4.49, 57.78 ppm; 3.83 A): 4 out of 6 assignments used, quality = 0.93: QG1 VAL 45 + HA ASP 46 OK 85 100 - 85 - 166/3.0=29, 4417=29...(19) QG1 VAL 45 + HA ASP 67 OK 30 89 - 33 - 4417=11, 2.1/4416=5...(10) QD1 LEU 57 + HA ASP 46 OK 20 96 - 20 - 166/3.0=7, 4445/3.0=5...(7) QD1 LEU 64 + HA ASP 67 OK 19 48 - 39 - 5020/3.0=13, 6134/3.6=7...(8) QD1 LEU 57 - HA ASP 67 lone 4 82 - 5 - QD1 LEU 64 - HA ASP 46 lone 4 60 - 7 - 4432/3.6=2 Peak 4434 from cnoeabs.peaks (4.04, 2.67, 40.94 ppm; 5.14 A): 2 out of 5 assignments used, quality = 0.98: HD2 PRO 44 + HB2 ASP 47 OK 94 100 - 94 - 1.8/5644=36, 5645=33...(18) HA PHE 48 + HB2 ASP 47 OK 69 96 - 73 - 3.0/173=27, ~174=22...(13) HA GLU 59 - HB2 ASP 47 OK 17 100 - 17 - 4436/1.8=3, 4426/4.1=3...(7) HA ALA 63 - HB2 ASP 47 lone 4 81 - 5 - HA ARG 26 - HB2 ASP 47 lone 2 63 - 3 - Peak 4435 from cnoeabs.peaks (3.67, 2.67, 40.94 ppm; 4.56 A): 4 out of 4 assignments used, quality = 0.94: HD3 PRO 44 + HB2 ASP 47 OK 89 100 - 89 - 5644=39, 1.8/5645=22...(18) HA VAL 45 + HB2 ASP 47 OK 31 65 - 48 - 3.5/3842=11, 4427/4.1=9...(12) HD3 PRO 56 + HB2 ASP 47 OK 12 60 - 21 - 4427/4.1=4, 4437/1.8=3...(10) HD2 PRO 56 + HB2 ASP 47 OK 12 60 - 21 - 4427/4.1=4, 4437/1.8=3...(10) Peak 4436 from cnoeabs.peaks (4.04, 2.59, 40.94 ppm; 5.32 A): 2 out of 10 assignments used, quality = 0.97: HD2 PRO 44 + HB3 ASP 47 OK 91 99 - 93 - ~5644=30, 5645/1.8=29...(15) HA PHE 48 + HB3 ASP 47 OK 62 89 - 70 - 3.0/174=32, ~173=21...(12) HD2 PRO 44 - HB3 ASP 24 OK 22 57 - 38 - 1.8/4397=7, 4396=6...(10) HA GLU 59 - HB3 ASP 47 OK 18 100 - 18 - 4434/1.8=4, 4426/4.1=3...(8) HA PHE 48 - HB3 ASP 24 OK 10 47 - 21 - 3.0/174=9, 4426/638=2...(5) HA ARG 26 - HB3 ASP 24 OK 10 38 - 27 - ~4169=14, 3747/4.5=3...(7) HA ALA 63 - HB3 ASP 47 lone 5 90 - 5 - HA GLU 59 - HB3 ASP 24 lone 5 60 - 8 - 5085/4.5=2, 4645/250=1 HA ARG 26 - HB3 ASP 47 lone 3 76 - 4 - HA ALA 63 - HB3 ASP 24 lone 2 48 - 3 - Peak 4437 from cnoeabs.peaks (3.67, 2.59, 40.94 ppm; 4.82 A): 2 out of 8 assignments used, quality = 0.93: HD3 PRO 44 + HB3 ASP 47 OK 88 100 - 89 - 5644/1.8=34, 4397=22...(16) HA VAL 45 + HB3 ASP 47 OK 39 78 - 50 - 4930/4.1=11, 3834/4.3=11...(10) HD3 PRO 44 - HB3 ASP 24 OK 19 60 - 32 - 4397=7, 1.8/4396=5...(9) HD2 PRO 56 - HB3 ASP 47 OK 17 73 - 24 - 4427/4.1=4, 4435/1.8=4...(12) HD3 PRO 56 - HB3 ASP 47 OK 17 73 - 24 - 4427/4.1=4, 4435/1.8=4...(12) HA VAL 45 - HB3 ASP 24 poor 7 40 - 17 - 3.5/3843=4, ~4417=3...(6) HD3 PRO 56 - HB3 ASP 24 lone 2 37 - 4 - HD2 PRO 56 - HB3 ASP 24 lone 2 37 - 4 - Peak 4439 from cnoeabs.peaks (2.04, 4.39, 56.46 ppm; 3.44 A): 4 out of 16 assignments used, quality = 0.95: HG2 PRO 44 + HA ASP 47 OK 66 99 - 66 - ~5644=8, ~6064=8...(20) HB2 GLU 50 + HA ASP 47 OK 54 100 - 54 - 3.9/4506=12, 4510=11...(14) HB3 GLU 50 + HA ASP 47 OK 54 100 - 54 - 3.9/4506=12, 4510=11...(14) HB VAL 45 + HA ASP 47 OK 31 73 - 43 - ~4424=7, 3835/3.6=6...(14) HG2 PRO 56 - HA ASP 47 OK 12 100 - 12 - 6063/3.0=2, ~4427=2, ~4431=2 HB3 PRO 56 - HA ASP 47 OK 10 97 - 11 - 6063/3.0=2, ~4431=1...(4) HB2 GLU 25 - HA ASP 47 lone 6 96 - 6 - 4510=1 HB3 GLU 25 - HA ASP 47 lone 6 95 - 6 - 4510=1 HB VAL 76 - HA ASP 47 lone 5 100 - 5 - HB3 MET 31 - HA ASP 47 lone 3 60 - 6 - 4.0/4454=2 HB2 GLU 87 - HA ASP 47 lone 3 97 - 3 - HD3 ARG 69 - HA ASP 47 lone 3 97 - 3 - HD2 ARG 69 - HA ASP 47 lone 3 97 - 3 - HB3 GLU 19 - HA ASP 47 lone 2 100 - 2 - HB3 GLN 91 - HA ASP 47 lone 1 100 - 1 - HB VAL 90 - HA ASP 47 lone 1 76 - 1 - Peak 4440 from cnoeabs.peaks (2.07, 2.70, 39.53 ppm; 5.75 A): 4 out of 16 assignments used, quality = 0.94: HB VAL 45 + HB2 ASP 46 OK 85 100 - 86 - 4.4/2117=29, ~4445=25...(10) HB3 PRO 44 + HB2 ASP 46 OK 33 83 - 40 - 4393/4.6=17, 5131/4.0=14...(6) HG2 PRO 44 + HB2 ASP 46 OK 23 76 - 30 - 4394/4.6=13, 164/4.0=7...(5) HB3 MET 31 + HB2 ASP 46 OK 18 100 - 17 - 4430/1.8=4, 4431/4.6=2...(7) HB2 PRO 56 - HB2 ASP 46 poor 10 87 - 12 - 4431/4.6=3, 164/4.0=2...(4) HG3 PRO 56 - HB2 ASP 46 poor 10 83 - 12 - 4431/4.6=4, 164/4.0=2...(4) HB2 GLU 50 - HB2 ASP 46 poor 9 57 - 15 - 3.9/184=6, 6063/4.6=3...(4) HB3 GLU 50 - HB2 ASP 46 poor 9 57 - 15 - 3.9/184=6, 6063/4.6=3...(4) HB3 GLU 25 - HB2 ASP 46 lone 6 90 - 7 - 4430/1.8=2, ~4430=2 HB2 GLU 25 - HB2 ASP 46 lone 6 89 - 7 - 4430/1.8=2, ~4430=2 HG2 PRO 36 - HB2 ASP 46 lone 6 76 - 7 - 4431/4.6=2, 4430/1.8=1 HG3 PRO 36 - HB2 ASP 46 lone 5 71 - 7 - 4431/4.6=2, 4430/1.8=1, ~4430=1 HB3 GLU 59 - HB2 ASP 46 lone 4 81 - 5 - 4431/4.6=1 HB2 GLU 59 - HB2 ASP 46 lone 4 81 - 5 - 4431/4.6=1 HB VAL 76 - HB2 ASP 46 lone 2 68 - 3 - HB3 GLN 91 - HB2 ASP 46 lone 2 57 - 3 - Peak 4441 from cnoeabs.peaks (2.05, 2.67, 40.94 ppm; 5.08 A): 4 out of 15 assignments used, quality = 0.99: HG2 PRO 44 + HB2 ASP 47 OK 86 99 - 87 - 2.3/5644=33, 2.3/5645=25...(15) HB2 GLU 50 + HB2 ASP 47 OK 59 95 - 63 - ~4511=14, 4510/3.0=12...(12) HB3 GLU 50 + HB2 ASP 47 OK 59 95 - 63 - ~4511=14, 4510/3.0=12...(12) HB VAL 45 + HB2 ASP 47 OK 48 96 - 50 - 3835/4.3=13, 4.4/3842=11...(10) HG2 PRO 56 - HB2 ASP 47 OK 23 90 - 26 - 2.3/4435=4, 2.3/4435=4...(12) HB3 PRO 56 - HB2 ASP 47 OK 18 78 - 23 - 3.0/4435=3, 3.0/4435=3...(12) HB VAL 76 - HB2 ASP 47 OK 11 98 - 11 - 2.1/4446=2, 2.1/4446=2...(5) HB2 GLU 25 - HB2 ASP 47 OK 10 100 - 10 - 4444/1.8=2, ~4444=1, 4510/3.0=1 HB3 GLU 25 - HB2 ASP 47 OK 10 100 - 10 - 4444/1.8=2, ~4444=1, 4510/3.0=1 HB3 MET 31 - HB2 ASP 47 poor 10 89 - 11 - 4845/4914=2, 4457/4.3=1...(4) HD3 ARG 69 - HB2 ASP 47 lone 4 76 - 6 - 4457/4.3=1 HD2 ARG 69 - HB2 ASP 47 lone 4 76 - 6 - 4457/4.3=1 HB2 GLU 87 - HB2 ASP 47 lone 3 78 - 4 - ~4512=1 HB3 GLU 19 - HB2 ASP 47 lone 3 92 - 3 - HB3 GLN 91 - HB2 ASP 47 lone 3 95 - 3 - Peak 4442 from cnoeabs.peaks (1.43, 2.67, 40.94 ppm; 4.65 A): 1 out of 8 assignments used, quality = 0.95: HB3 LEU 43 + HB2 ASP 47 OK 95 100 - 95 - 4912=34, 3.1/4907=27...(20) HG13 ILE 89 - HB2 ASP 47 OK 36 99 - 36 - 2.1/4447=5, 4443/1.8=5...(13) HG2 LYS 13 - HB2 ASP 47 OK 16 97 - 17 - 4443/1.8=3, 4456/4.1=2...(9) QB ALA 30 - HB2 ASP 47 OK 11 96 - 12 - 4456/4.1=3, 4459/4.3=2 HG12 ILE 33 - HB2 ASP 47 OK 10 97 - 11 - 4456/4.1=2, 4443/1.8=1...(4) HG3 LYS 13 - HB2 ASP 47 OK 10 76 - 14 - ~4443=2, 4459/4.3=2...(8) HG3 LYS 85 - HB2 ASP 47 lone 6 83 - 7 - 4459/4.3=1 HG3 LYS 39 - HB2 ASP 47 lone 3 60 - 5 - Peak 4443 from cnoeabs.peaks (1.42, 2.59, 40.94 ppm; 5.13 A): 4 out of 14 assignments used, quality = 0.95: HB3 LEU 43 + HB3 ASP 47 OK 88 92 - 96 - 4912/1.8=28, 1.8/4381=23...(19) HG13 ILE 89 + HB3 ASP 47 OK 31 89 - 35 - 4442/1.8=8, 4456/4.1=5...(11) HB3 LEU 43 + HB3 ASP 24 OK 21 50 - 43 - 1.8/4381=8, 4380=7...(11) HG2 LYS 13 + HB3 ASP 47 OK 17 100 - 17 - 4442/1.8=4, 4456/4.1=2...(8) QB ALA 30 - HB3 ASP 47 poor 9 76 - 12 - 4456/4.1=3, 4442/1.8=3 HG12 ILE 33 - HB3 ASP 47 poor 9 78 - 12 - 4442/1.8=2, 4456/4.1=2...(4) HG3 LYS 39 - HB3 ASP 47 lone 6 87 - 7 - 5206/5356=1, 4896/4389=1 HG13 ILE 89 - HB3 ASP 24 poor 5 47 - 10 - 1.8/4835=1, ~5507=1 QB ALA 30 - HB3 ASP 24 lone 3 38 - 8 - 5539/4.5=2, 5388/5524=2 HG12 ILE 33 - HB3 ASP 24 lone 3 40 - 7 - ~4225=1, 2.1/5322=1 HG2 LYS 13 - HB3 ASP 24 lone 3 60 - 5 - HB3 ARG 69 - HB3 ASP 47 lone 3 63 - 4 - HG3 LYS 39 - HB3 ASP 24 lone 2 46 - 4 - HB3 ARG 69 - HB3 ASP 24 lone 1 31 - 4 - Peak 4444 from cnoeabs.peaks (2.06, 2.59, 40.94 ppm; 4.85 A): 3 out of 30 assignments used, quality = 0.96: HG2 PRO 44 + HB3 ASP 47 OK 83 97 - 86 - ~5644=23, 5134=18...(13) HB2 GLU 50 + HB3 ASP 47 OK 49 89 - 56 - ~4511=12, 4510/3.0=11...(11) HB3 GLU 50 + HB3 ASP 47 OK 49 89 - 56 - ~4511=12, 4510/3.0=11...(11) HB VAL 45 - HB3 ASP 47 OK 43 99 - 44 - 3835/4.3=12, 4.4/3843=8...(9) HG2 PRO 56 - HB3 ASP 47 OK 20 83 - 24 - 2.3/4437=3, 2.3/4437=3...(12) HB3 GLU 25 - HB3 ASP 24 OK 18 59 - 30 - 4.0/53=25, 3.0/5524=3 HB2 GLU 25 - HB3 ASP 24 OK 17 59 - 30 - 4.0/53=25, 3.0/5524=3 HB3 PRO 56 - HB3 ASP 47 OK 15 68 - 22 - 3.0/4437=3, 3.0/4437=3...(12) HB3 GLU 25 - HB3 ASP 47 OK 14 100 - 14 - 4.0/53=6, 4441/1.8=1 HB2 GLU 25 - HB3 ASP 47 OK 14 100 - 14 - 4.0/53=6, 4441/1.8=1, 4510/3.0=1 HG2 PRO 44 - HB3 ASP 24 OK 14 55 - 25 - 2.3/4397=6, 5134=5...(6) HB VAL 45 - HB3 ASP 24 OK 10 57 - 18 - ~4417=4, ~4416=4...(6) HB3 MET 31 - HB3 ASP 47 poor 10 95 - 10 - 4845/5356=1, 4431/4.1=1...(4) HB VAL 76 - HB3 ASP 47 lone 9 95 - 10 - 2.1/4448=1, 2.1/4448=1...(4) HD3 ARG 69 - HB3 ASP 47 lone 3 65 - 5 - HD2 ARG 69 - HB3 ASP 47 lone 3 65 - 5 - HB3 MET 31 - HB3 ASP 24 lone 3 52 - 6 - HB3 GLU 50 - HB3 ASP 24 lone 3 47 - 6 - 4510/2128=1 HB2 GLU 50 - HB3 ASP 24 lone 3 47 - 6 - 4510/2128=1 HB3 GLU 19 - HB3 ASP 47 lone 3 85 - 3 - HB2 GLU 87 - HB3 ASP 47 lone 2 68 - 4 - HB3 GLN 91 - HB3 ASP 47 lone 2 89 - 2 - HB VAL 76 - HB3 ASP 24 lone 2 52 - 4 - HG2 PRO 56 - HB3 ASP 24 lone 2 43 - 5 - HB3 GLU 19 - HB3 ASP 24 lone 2 44 - 4 - 521/4.5=1 HB3 PRO 56 - HB3 ASP 24 lone 1 34 - 4 - HB3 GLN 91 - HB3 ASP 24 lone 1 47 - 2 - HB2 GLU 87 - HB3 ASP 24 lone 1 34 - 2 - HD2 ARG 69 - HB3 ASP 24 lone 1 32 - 2 - HD3 ARG 69 - HB3 ASP 24 lone 1 32 - 2 - Peak 4445 from cnoeabs.peaks (0.99, 2.55, 39.53 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.89: QG1 VAL 45 + HB3 ASP 46 OK 84 100 - 85 - 166/4.0=36, 4417/3.0=28...(10) QD1 LEU 57 + HB3 ASP 46 OK 31 100 - 31 - 166/4.0=9, 5749=6...(9) Peak 4446 from cnoeabs.peaks (0.94, 2.67, 40.94 ppm; 4.01 A): 5 out of 8 assignments used, quality = 0.95: QD2 LEU 43 + HB2 ASP 47 OK 89 100 - 89 - 4907=33, 2.1/4914=23...(20) QG2 ILE 40 + HB2 ASP 47 OK 21 97 - 22 - 4460/4.3=4, 4450/3.0=3...(9) QD1 LEU 64 + HB2 ASP 47 OK 21 93 - 22 - 5310/1.8=4, 2.1/4447=3...(10) QG2 VAL 41 + HB2 ASP 47 OK 19 99 - 19 - 4330/4.1=4, 4448/1.8=3...(6) HG12 ILE 68 + HB2 ASP 47 OK 11 83 - 13 - 4448/1.8=2, 3.2/4447=2...(5) QD2 LEU 62 - HB2 ASP 47 poor 10 97 - 10 - 4460/4.3=2, 4448/1.8=2 QG2 VAL 76 - HB2 ASP 47 lone 6 83 - 7 - 4448/1.8=1 QG1 VAL 76 - HB2 ASP 47 lone 6 83 - 7 - 4448/1.8=1 Peak 4447 from cnoeabs.peaks (0.82, 2.67, 40.94 ppm; 4.47 A): 2 out of 8 assignments used, quality = 0.95: QD1 LEU 43 + HB2 ASP 47 OK 93 100 - 93 - 4914=36, 2.1/4907=30...(19) QG2 ILE 89 + HB2 ASP 47 OK 30 90 - 34 - 3.2/4442=5, 4449/1.8=4...(15) QD1 ILE 89 - HB2 ASP 47 OK 29 92 - 32 - 2.1/4442=7, 4449/1.8=4...(12) QD2 LEU 64 - HB2 ASP 47 OK 25 85 - 30 - 2.1/4446=5, 4449/1.8=3...(12) QG2 ILE 68 - HB2 ASP 47 OK 17 89 - 19 - 4752/1.8=4, 5662/3.0=2...(7) QD2 LEU 29 - HB2 ASP 47 OK 11 85 - 13 - 4461/4.3=3, 4933/4.1=2...(5) QD2 LEU 86 - HB2 ASP 47 lone 9 99 - 9 - 4461/4.3=1, 4449/1.8=1 QG1 VAL 41 - HB2 ASP 47 poor 8 57 - 15 - 2.1/4446=4, ~4450=3...(5) Peak 4448 from cnoeabs.peaks (0.94, 2.59, 40.94 ppm; 3.95 A): 3 out of 16 assignments used, quality = 0.91: QD2 LEU 43 + HB3 ASP 47 OK 85 99 - 86 - 4907/1.8=28, 4389=22...(16) HG12 ILE 68 + HB3 ASP 24 OK 27 48 - 56 - ~4760=20, ~5976=12...(10) QG2 ILE 40 + HB3 ASP 47 OK 21 99 - 21 - 4446/1.8=4, 4460/4.3=4...(5) QD1 LEU 64 - HB3 ASP 47 OK 20 87 - 23 - 4446/1.8=4, 5310=3...(10) QG2 VAL 41 - HB3 ASP 47 OK 18 100 - 18 - 4330/4.1=4, 4446/1.8=4...(5) QD2 LEU 43 - HB3 ASP 24 OK 15 57 - 26 - 4389=6, 2.1/5356=5...(8) HG12 ILE 68 - HB3 ASP 47 OK 12 90 - 13 - 3.2/4752=2, 4446/1.8=2...(5) QD2 LEU 62 - HB3 ASP 47 OK 10 99 - 10 - 4460/4.3=2, 4446/1.8=2...(4) QG2 VAL 76 - HB3 ASP 47 lone 7 90 - 7 - 4446/1.8=1 QG1 VAL 76 - HB3 ASP 47 lone 7 90 - 7 - 4446/1.8=1 QD1 LEU 64 - HB3 ASP 24 lone 4 46 - 9 - ~5311=2, 5310=1, 5013/4.5=1 QG2 VAL 41 - HB3 ASP 24 lone 4 60 - 6 - ~5507=1, 1982/4752=1 QG2 ILE 40 - HB3 ASP 24 lone 4 57 - 7 - 4298/4752=1 QD2 LEU 62 - HB3 ASP 24 lone 3 57 - 4 - 4.8/250=1 QG2 VAL 76 - HB3 ASP 24 lone 1 48 - 2 - QG1 VAL 76 - HB3 ASP 24 lone 1 48 - 2 - Peak 4449 from cnoeabs.peaks (0.82, 2.59, 40.94 ppm; 4.18 A): 3 out of 16 assignments used, quality = 0.93: QD1 LEU 43 + HB3 ASP 47 OK 88 100 - 88 - 4914/1.8=26, ~4907=20...(17) QG2 ILE 68 + HB3 ASP 24 OK 27 47 - 57 - ~4760=18, 4752=12...(10) QG2 ILE 89 + HB3 ASP 47 OK 24 90 - 27 - 4447/1.8=5, 3.2/4443=3...(11) QD1 ILE 89 - HB3 ASP 47 OK 24 92 - 26 - 4447/1.8=4, ~4442=4...(9) QD2 LEU 64 - HB3 ASP 47 OK 20 85 - 24 - 4447/1.8=4, 2.1/5310=3...(9) QD1 LEU 43 - HB3 ASP 24 OK 19 59 - 32 - 5356=7, 2.1/4389=6...(9) QG2 ILE 68 - HB3 ASP 47 OK 15 89 - 16 - 4752=3, 4447/1.8=3...(6) QD2 LEU 29 - HB3 ASP 47 poor 9 85 - 10 - 4461/4.3=2, 4447/1.8=2 QD2 LEU 86 - HB3 ASP 47 lone 7 99 - 7 - 4447/1.8=1, 4461/4.3=1 QG1 VAL 41 - HB3 ASP 47 poor 7 57 - 12 - 2.1/4448=3, ~4446=3...(5) QD2 LEU 64 - HB3 ASP 24 poor 5 44 - 12 - 5311/1.8=2, 5015/4.5=2...(4) QG2 ILE 89 - HB3 ASP 24 lone 3 48 - 6 - QD1 ILE 89 - HB3 ASP 24 lone 3 50 - 5 - QD2 LEU 29 - HB3 ASP 24 lone 1 44 - 3 - QD2 LEU 86 - HB3 ASP 24 lone 1 57 - 2 - QG1 VAL 41 - HB3 ASP 24 lone 1 27 - 5 - ~5508=2 Peak 4450 from cnoeabs.peaks (0.93, 4.39, 56.46 ppm; 4.98 A): 3 out of 8 assignments used, quality = 0.95: QD2 LEU 43 + HA ASP 47 OK 88 95 - 93 - 4907/3.0=28, 4389/3.0=19...(21) QG2 ILE 40 + HA ASP 47 OK 38 100 - 38 - 4460/3.6=6, 1936/3.0=6...(11) QG2 VAL 41 + HA ASP 47 OK 31 100 - 31 - 4330/3.0=8, 4.1/4454=6...(7) QD1 LEU 64 - HA ASP 47 OK 20 76 - 26 - 4446/3.0=4, 4460/3.6=4...(9) HG12 ILE 68 - HA ASP 47 OK 18 97 - 18 - 3.2/5662=3, 4756/3.0=2...(8) QD2 LEU 62 - HA ASP 47 OK 11 100 - 11 - 4460/3.6=4, 4446/3.0=2...(4) QG2 VAL 76 - HA ASP 47 lone 10 97 - 10 - 4446/3.0=1, 4448/3.0=1 QG1 VAL 76 - HA ASP 47 lone 9 97 - 10 - 4446/3.0=1, 4448/3.0=1 Peak 4453 from cnoeabs.peaks (7.53, 4.03, 60.97 ppm; 4.36 A): 3 out of 4 assignments used, quality = 0.96: H LEU 51 + HA PHE 48 OK 82 100 - 82 - 4947/3.6=26, 4.5/4470=22...(16) H LEU 43 + HA PHE 48 OK 67 99 - 67 - 5640=17, 4.8/4468=11...(13) H ARG 54 + HA PHE 48 OK 40 100 - 41 - 675=5, 4490/3.6=4...(18) HD21 ASN 80 - HA PHE 48 lone 8 85 - 9 - 4490/3.6=2, 2237/4470=1 Peak 4454 from cnoeabs.peaks (7.71, 4.39, 56.46 ppm; 4.40 A): 3 out of 5 assignments used, quality = 0.78: H GLU 50 + HA ASP 47 OK 67 85 - 80 - 4506=29, 4.6/4526=16...(13) H ASN 42 + HA ASP 47 OK 23 97 - 23 - 4452/3.6=7, 6130/3.0=6...(6) H MET 31 + HA ASP 47 OK 14 100 - 14 - 6130/3.0=4, 4452/3.6=4 H GLN 61 - HA ASP 47 lone 4 68 - 6 - 5.0/2128=3, 713/3.0=1 H TYR 55 - HA ASP 47 lone 4 87 - 4 - 210/4526=3 Peak 4455 from cnoeabs.peaks (3.69, 3.13, 38.68 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.96: HA VAL 45 + HB2 PHE 48 OK 93 100 - 93 - 4407=45, 4418/2.5=26...(21) HD3 PRO 44 + HB2 PHE 48 OK 47 73 - 64 - 1.8/2144=12, 2056/3.0=8...(18) HD3 PRO 56 - HB2 PHE 48 OK 24 100 - 24 - 4866/1.8=4, 4451/4.0=3...(11) HD2 PRO 56 - HB2 PHE 48 OK 24 100 - 24 - 4866/1.8=4, 4451/4.0=3...(11) Peak 4463 from cnoeabs.peaks (1.72, 4.03, 60.97 ppm; 4.96 A): 1 out of 10 assignments used, quality = 0.95: HB2 LEU 43 + HA PHE 48 OK 95 99 - 97 - 4368/3.0=23, 4382/3.0=23...(30) HB2 LEU 29 - HA PHE 48 OK 40 100 - 40 - 4458/3.0=5, 3.1/4468=5...(13) HB3 LEU 64 - HA PHE 48 OK 28 85 - 33 - 3.1/4468=5, 3.1/4467=4...(12) HG3 ARG 66 - HA PHE 48 OK 21 81 - 27 - 5966/5.6=15, 5967/7.2=4...(5) HB2 ARG 84 - HA PHE 48 OK 20 97 - 21 - 3.5/2139=3, 3.5/2139=3...(7) HB3 LYS 85 - HA PHE 48 OK 15 99 - 15 - 4458/3.0=2, 2.9/4465=2...(5) HG2 ARG 70 - HA PHE 48 lone 10 99 - 10 - 4458/3.0=1, 4471/3.0=1 HB3 LYS 83 - HA PHE 48 lone 6 100 - 6 - HB2 ARG 82 - HA PHE 48 lone 3 78 - 4 - HB3 ARG 17 - HA PHE 48 lone 2 65 - 3 - Peak 4464 from cnoeabs.peaks (1.59, 4.03, 60.97 ppm; 4.09 A): 4 out of 17 assignments used, quality = 0.91: HB3 LEU 51 + HA PHE 48 OK 76 97 - 79 - 3.1/4470=25, 3.1/4469=20...(17) HB3 LEU 29 + HA PHE 48 OK 30 99 - 31 - 1.8/4463=4, 5366=4...(11) HG3 ARG 54 + HA PHE 48 OK 26 96 - 27 - 1.8/4466=7, 4.9/4453=4...(12) HB3 LEU 62 + HA PHE 48 OK 24 100 - 25 - 1.8/4678=4, 3.1/4467=4...(6) HG LEU 62 - HA PHE 48 OK 17 78 - 22 - 2.1/4467=4, 2.1/5365=3...(8) HG LEU 86 - HA PHE 48 OK 16 97 - 16 - 2.1/4468=3, 2.1/5365=2...(5) HG3 ARG 84 - HA PHE 48 OK 16 100 - 16 - 2.9/2139=3, 2.9/2139=2 HG2 ARG 84 - HA PHE 48 OK 16 100 - 16 - 2.9/2139=3, 2.9/2139=2 HD2 LYS 39 - HA PHE 48 lone 10 100 - 10 - 6085/4470=2, 6086/4469=1 HD3 LYS 39 - HA PHE 48 lone 10 99 - 10 - 6085/4470=2, 6086/4469=1 HB2 LEU 86 - HA PHE 48 poor 10 68 - 14 - 3.1/4468=3, 3.1/5365=2...(4) HB3 LEU 86 - HA PHE 48 poor 9 71 - 13 - 3.1/4468=3, 3.1/5365=2...(4) HG3 ARG 70 - HA PHE 48 lone 4 73 - 6 - 1.8/4463=1 HD2 LYS 32 - HA PHE 48 lone 4 78 - 5 - 3.0/4466=1 HD3 LYS 32 - HA PHE 48 lone 4 73 - 5 - 3.0/4466=1 HD2 LYS 73 - HA PHE 48 lone 3 78 - 3 - HD3 LYS 73 - HA PHE 48 lone 3 78 - 3 - Peak 4465 from cnoeabs.peaks (1.43, 4.03, 60.97 ppm; 4.89 A): 1 out of 8 assignments used, quality = 0.96: HB3 LEU 43 + HA PHE 48 OK 96 100 - 96 - 4369/3.0=21, 3.1/4468=19...(29) HG13 ILE 89 - HA PHE 48 OK 33 99 - 33 - 4472/3.0=5, 4459/3.0=5...(10) HG2 LYS 13 - HA PHE 48 OK 19 97 - 19 - 4459/3.0=3, 4472/3.0=2...(10) QB ALA 30 - HA PHE 48 OK 16 96 - 17 - 3.6/5290=5, 4459/3.0=3 HG3 LYS 13 - HA PHE 48 OK 13 76 - 17 - 4459/3.0=2, ~4459=2...(8) HG3 LYS 85 - HA PHE 48 OK 11 83 - 13 - 2.9/4463=2, 4459/3.0=2...(4) HG12 ILE 33 - HA PHE 48 lone 10 97 - 10 - 4459/3.0=2, 4472/3.0=2 HG3 LYS 39 - HA PHE 48 poor 6 60 - 11 - 3.0/4464=1, 3.0/4464=1 Peak 4466 from cnoeabs.peaks (1.32, 4.03, 60.97 ppm; 4.39 A): 3 out of 7 assignments used, quality = 0.87: HB2 LEU 51 + HA PHE 48 OK 76 100 - 76 - 3.1/4470=29, 3.1/4469=24...(14) HG2 ARG 54 + HA PHE 48 OK 31 97 - 32 - 2324=4, 4.9/4453=4...(12) HB2 LEU 52 + HA PHE 48 OK 20 85 - 24 - 3.9/5224=8, 3.1/5694=3...(7) HG3 LYS 32 - HA PHE 48 lone 7 96 - 8 - 2239/4470=1, 2246/4469=1 QG2 THR 58 - HA PHE 48 lone 6 100 - 6 - 3.2/4631=1, 4.0/700=1 QB ALA 28 - HA PHE 48 lone 5 78 - 6 - QB ALA 12 - HA PHE 48 lone 3 90 - 3 - Peak 4467 from cnoeabs.peaks (0.94, 4.03, 60.97 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.97: QD2 LEU 43 + HA PHE 48 OK 93 100 - 93 - 4387=20, 2.1/4468=20...(33) QG2 ILE 40 + HA PHE 48 OK 55 94 - 58 - 5128/3.7=19, 4323/5.6=18...(10) QD2 LEU 62 - HA PHE 48 OK 33 94 - 35 - 4679=6, 2.1/5365=4...(12) QD1 LEU 64 - HA PHE 48 OK 29 96 - 31 - 2.1/4468=5, 4460/3.0=4...(11) QG2 VAL 41 - HA PHE 48 OK 21 99 - 21 - 4.1/5290=6, 4460/3.0=4...(5) HG12 ILE 68 - HA PHE 48 OK 10 78 - 13 - ~5975=3, 4623/3.7=2...(5) QG2 VAL 76 - HA PHE 48 lone 5 78 - 6 - QG1 VAL 76 - HA PHE 48 lone 5 78 - 6 - Peak 4468 from cnoeabs.peaks (0.83, 4.03, 60.97 ppm; 3.69 A): 3 out of 7 assignments used, quality = 0.91: QD1 LEU 43 + HA PHE 48 OK 85 100 - 85 - 5295=21, 2.1/4387=15...(26) QD2 LEU 29 + HA PHE 48 OK 24 94 - 26 - 2.1/5365=4, 4461/3.0=3...(12) QD2 LEU 64 + HA PHE 48 OK 22 94 - 23 - 4461/3.0=3, 2.1/4467=3...(9) QG2 ILE 89 - HA PHE 48 OK 20 97 - 21 - 4461/3.0=3, 3.2/4465=3...(8) QD1 ILE 89 - HA PHE 48 OK 16 81 - 20 - 2.1/4465=3, ~4459=2...(10) QD2 LEU 86 - HA PHE 48 OK 15 100 - 15 - 2.1/5365=2, 2.1/4464=2...(7) QG2 ILE 68 - HA PHE 48 lone 7 76 - 10 - 4624/3.7=3, ~5975=1 Peak 4469 from cnoeabs.peaks (0.62, 4.03, 60.97 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 51 + HA PHE 48 OK 91 100 - 91 - 2.1/4470=45, 3.1/4466=21...(19) Peak 4470 from cnoeabs.peaks (0.19, 4.03, 60.97 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 51 + HA PHE 48 OK 89 100 - 89 - 2.1/4469=30, 4625/3.7=27...(18) Peak 4471 from cnoeabs.peaks (1.72, 3.13, 38.68 ppm; 5.21 A): 1 out of 10 assignments used, quality = 0.96: HB2 LEU 43 + HB2 PHE 48 OK 96 99 - 98 - 4382/1.8=29, 4921/2.5=24...(28) HB2 LEU 29 - HB2 PHE 48 OK 39 100 - 39 - 4463/3.0=6, 4475/1.8=5...(15) HG3 ARG 66 - HB2 PHE 48 OK 26 81 - 33 - 5966/4.4=21, 5967/5.8=7...(4) HB3 LEU 64 - HB2 PHE 48 OK 26 85 - 31 - ~5288=4, 4463/3.0=4...(12) HB2 ARG 84 - HB2 PHE 48 OK 14 97 - 14 - 4463/3.0=3, 4475/1.8=2...(4) HB3 LYS 85 - HB2 PHE 48 OK 13 99 - 13 - 4463/3.0=2, 4458/4.0=2...(5) HG2 ARG 70 - HB2 PHE 48 lone 9 99 - 9 - 4463/3.0=1, 4475/1.8=1 HB3 LYS 83 - HB2 PHE 48 lone 5 100 - 5 - HB2 ARG 82 - HB2 PHE 48 lone 4 78 - 6 - ~5868=2 HB3 ARG 17 - HB2 PHE 48 lone 2 65 - 3 - Peak 4472 from cnoeabs.peaks (1.43, 3.13, 38.68 ppm; 5.19 A): 1 out of 8 assignments used, quality = 0.97: HB3 LEU 43 + HB2 PHE 48 OK 97 100 - 97 - ~4382=23, 4379/1.8=21...(29) HG13 ILE 89 - HB2 PHE 48 OK 34 99 - 34 - 4465/3.0=6, 4459/4.0=5...(11) HG2 LYS 13 - HB2 PHE 48 OK 14 97 - 15 - 4465/3.0=3, 4459/4.0=2...(5) QB ALA 30 - HB2 PHE 48 OK 11 96 - 12 - 4459/4.0=3, 4465/3.0=3...(4) HG12 ILE 33 - HB2 PHE 48 OK 10 97 - 11 - 4465/3.0=2, 4459/4.0=2...(4) HG3 LYS 13 - HB2 PHE 48 poor 10 76 - 13 - ~4465=2, 4465/3.0=2...(4) HG3 LYS 85 - HB2 PHE 48 poor 10 83 - 12 - 4465/3.0=2, 2.9/4471=2...(5) HG3 LYS 39 - HB2 PHE 48 lone 4 60 - 6 - 4465/3.0=1 Peak 4473 from cnoeabs.peaks (1.05, 3.13, 38.68 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.96: QG2 VAL 45 + HB2 PHE 48 OK 82 83 - 99 - 3.2/4407=45, 4409=37...(19) QD1 ILE 40 + HB2 PHE 48 OK 65 73 - 88 - 4316/4.4=31, ~5128=29...(12) HG3 PRO 34 + HB2 PHE 48 OK 30 97 - 31 - 4611/4.4=11, 4651/2.5=7...(6) Peak 4475 from cnoeabs.peaks (1.72, 2.88, 38.68 ppm; 4.65 A): 2 out of 39 assignments used, quality = 0.96: HB2 LEU 43 + HB3 PHE 48 OK 94 100 - 94 - 4382=24, 4921/2.5=19...(26) HB2 LEU 29 + HB3 PHE 48 OK 33 100 - 33 - 4471/1.8=5, 4463/3.0=5...(12) HB3 LEU 64 - HB3 PHE 48 OK 20 73 - 27 - 3.0/5288=5, 3.1/4478=4...(11) HG3 ARG 66 - HB3 PHE 48 OK 18 68 - 26 - 5966/4.4=14, 5967/5.8=4...(5) HB2 LEU 62 - HB3 PHE 48 OK 15 71 - 21 - 4458/4.0=3, 4678/3.0=3...(8) HB2 ARG 84 - HB3 PHE 48 OK 15 100 - 15 - 4463/3.0=2, 4471/1.8=2...(6) HB2 LEU 43 - HB3 PHE 35 OK 13 60 - 22 - 4382/1.8=6, 3.1/4913=4...(6) HB2 LEU 43 - HB2 PHE 35 OK 12 55 - 22 - 4382=6, 1.8/4379=4...(7) HB3 LYS 85 - HB3 PHE 48 OK 11 100 - 11 - 4463/3.0=2, 4471/1.8=2...(4) HG2 ARG 70 - HB3 PHE 48 lone 8 94 - 8 - 4471/1.8=1, 4463/3.0=1 HB3 LYS 83 - HB3 PHE 48 lone 4 100 - 4 - HG3 ARG 66 - HB2 PHE 35 poor 4 31 - 13 - 5967/4.5=4, 5967/5.8=3...(5) HG3 ARG 71 - HB3 PHE 48 lone 4 57 - 7 - ~2157=1, 3.0/2151=1, ~2139=1 HG3 ARG 66 - HB3 PHE 35 poor 4 34 - 11 - 5967/4.5=4, 5967/5.8=3, ~4560=2 HB3 LEU 64 - HB3 PHE 35 lone 4 37 - 9 - ~5020=3, ~5288=1 HB2 LEU 29 - HB3 PHE 35 lone 3 60 - 6 - HB2 ARG 82 - HB3 PHE 48 lone 3 65 - 5 - ~5868=1 HB2 LEU 29 - HB2 PHE 35 lone 3 54 - 5 - HB2 LEU 62 - HB3 PHE 35 lone 3 36 - 8 - ~4564=2, ~4659=1 HB3 LEU 64 - HB2 PHE 35 lone 3 34 - 8 - 3.1/5020=2, 3.0/5288=2 HB2 LEU 62 - HB2 PHE 35 lone 3 32 - 8 - ~4564=2, ~4659=1 HB3 ARG 17 - HB3 PHE 48 lone 2 78 - 3 - HG2 ARG 70 - HB3 PHE 35 lone 2 53 - 3 - HB2 ARG 84 - HB3 PHE 35 lone 1 60 - 2 - HB3 LYS 85 - HB3 PHE 35 lone 1 61 - 2 - HB2 ARG 84 - HB2 PHE 35 lone 1 54 - 2 - HG3 ARG 26 - HB3 PHE 48 lone 1 65 - 2 - HB3 LYS 85 - HB2 PHE 35 lone 1 55 - 2 - HB3 LYS 83 - HB3 PHE 35 lone 1 60 - 2 - HG2 ARG 70 - HB2 PHE 35 lone 1 48 - 2 - HB3 LYS 83 - HB2 PHE 35 lone 1 55 - 2 - HG3 ARG 26 - HB3 PHE 35 lone 1 33 - 2 - HG3 ARG 26 - HB2 PHE 35 lone 1 29 - 2 - HB3 ARG 17 - HB3 PHE 35 lone 1 41 - 2 - HB3 ARG 17 - HB2 PHE 35 lone 1 37 - 2 - HB2 ARG 82 - HB3 PHE 35 lone 1 33 - 2 - HB2 ARG 82 - HB2 PHE 35 lone 1 29 - 2 - HG3 ARG 71 - HB3 PHE 35 lone 1 28 - 2 - HG3 ARG 71 - HB2 PHE 35 lone 0 25 - 2 - Peak 4476 from cnoeabs.peaks (1.42, 2.88, 38.68 ppm; 4.80 A): 3 out of 21 assignments used, quality = 0.94: HB3 LEU 43 + HB3 PHE 48 OK 88 93 - 95 - 1.8/4382=22, 4379=18...(26) HG12 ILE 33 + HB3 PHE 35 OK 30 42 - 72 - ~4567=22, ~4208=20...(10) HG12 ILE 33 + HB2 PHE 35 OK 27 38 - 71 - ~4567=22, ~4208=20...(10) HG3 LYS 39 - HB3 PHE 35 OK 26 45 - 58 - ~5939=24, ~5940=13...(12) HG13 ILE 89 - HB3 PHE 48 OK 26 90 - 29 - 4472/1.8=6, 4465/3.0=5...(10) HG3 LYS 39 - HB2 PHE 35 OK 24 41 - 59 - ~5939=24, ~5940=13...(13) HG2 LYS 13 - HB3 PHE 48 OK 14 100 - 14 - 4465/3.0=3, 4472/1.8=2...(6) HB3 LEU 43 - HB3 PHE 35 OK 11 52 - 22 - ~4382=5, 3.1/4913=4...(6) HB3 LEU 43 - HB2 PHE 35 OK 10 47 - 22 - 1.8/4382=6, 4379=4...(7) QB ALA 30 - HB3 PHE 48 poor 8 78 - 11 - 4465/3.0=2, 4459/4.0=2 HG12 ILE 33 - HB3 PHE 48 lone 7 81 - 9 - 4472/1.8=2, 4465/3.0=1...(4) HB3 ARG 69 - HB3 PHE 48 poor 7 60 - 12 - ~4621=5, ~5218=3, ~4622=2 HG3 LYS 39 - HB3 PHE 48 lone 6 85 - 7 - HG13 ILE 89 - HB3 PHE 35 lone 2 49 - 4 - HG13 ILE 89 - HB2 PHE 35 lone 2 45 - 3 - HG2 LYS 13 - HB2 PHE 35 lone 1 55 - 3 - HG2 LYS 13 - HB3 PHE 35 lone 1 61 - 2 - HB3 ARG 69 - HB3 PHE 35 lone 1 30 - 3 - ~5595=1 QB ALA 30 - HB3 PHE 35 lone 1 41 - 2 - HB3 ARG 69 - HB2 PHE 35 lone 1 27 - 3 - ~5595=1 QB ALA 30 - HB2 PHE 35 lone 1 37 - 2 - Peak 4477 from cnoeabs.peaks (1.02, 2.88, 38.68 ppm; 6.34 A): 3 out of 9 assignments used, quality = 0.98: QD1 ILE 40 + HB3 PHE 48 OK 91 99 - 92 - 4316/4.4=40, 5619/2.5=34...(15) QD1 ILE 40 + HB3 PHE 35 OK 55 58 - 96 - 4318/2.6=49, ~4322=38...(16) QD1 ILE 40 + HB2 PHE 35 OK 50 53 - 96 - 4318/2.6=49, ~4322=38...(16) HG3 PRO 34 - HB3 PHE 35 OK 41 42 - 98 - ~4242=41, 4243/2.6=40...(20) HG3 PRO 34 - HB2 PHE 35 OK 37 38 - 99 - ~4242=41, 4243/2.6=40...(21) HG3 PRO 34 - HB3 PHE 48 OK 23 81 - 28 - 4611/4.4=12, 4244/5.8=5...(7) QD1 LEU 57 - HB3 PHE 35 OK 22 33 - 67 - ~5742=36, 4577/4.5=20...(6) QD1 LEU 57 - HB2 PHE 35 OK 20 29 - 70 - ~5742=36, 4577/4.5=20...(7) QD1 LEU 57 - HB3 PHE 48 poor 10 65 - 15 - 4482/4.3=5, 4616/5.8=4 Peak 4478 from cnoeabs.peaks (0.84, 2.88, 38.68 ppm; 4.92 A): 3 out of 15 assignments used, quality = 0.96: QD1 LEU 43 + HB3 PHE 48 OK 90 96 - 94 - 4370/2.5=29, 4913=21...(24) QD2 LEU 29 + HB3 PHE 48 OK 35 100 - 35 - 4468/3.0=5, 4461/4.0=5...(13) QG2 ILE 89 + HB3 PHE 48 OK 34 100 - 34 - 4461/4.0=5, 4468/3.0=4...(14) QD2 LEU 64 - HB3 PHE 48 OK 33 100 - 33 - 4461/4.0=5, 4468/3.0=5...(12) QD2 LEU 86 - HB3 PHE 48 OK 19 98 - 19 - 4468/3.0=3, 4935/1.8=3...(7) QD1 LEU 43 - HB3 PHE 35 OK 14 54 - 25 - 4913=7, ~4382=4...(8) QD1 LEU 43 - HB2 PHE 35 OK 13 49 - 26 - 4917/4516=6, 4913/1.8=6...(6) QD2 LEU 64 - HB3 PHE 35 poor 6 60 - 10 - ~5020=5 QD2 LEU 64 - HB2 PHE 35 poor 6 55 - 10 - 2.1/5020=3, 3.9/5288=2 QD2 LEU 86 - HB3 PHE 35 lone 4 57 - 7 - ~4564=2 QD2 LEU 29 - HB2 PHE 35 lone 4 55 - 7 - ~4564=1 QD2 LEU 29 - HB3 PHE 35 lone 4 60 - 6 - ~4564=1 QD2 LEU 86 - HB2 PHE 35 lone 4 52 - 7 - ~4564=2, 4520/4516=1 QG2 ILE 89 - HB3 PHE 35 lone 2 61 - 4 - QG2 ILE 89 - HB2 PHE 35 lone 2 55 - 4 - Peak 4483 from cnoeabs.peaks (1.47, 4.14, 55.66 ppm; 3.83 A): 3 out of 8 assignments used, quality = 0.79: HB3 LEU 52 + HA ASN 49 OK 73 100 - 73 - 3.1/4486=29, 3.0/4485=18...(9) HB3 LEU 57 + HA ASN 49 OK 13 100 - 13 - 2282/4486=4, ~4482=2...(6) QB ALA 30 + HA ASN 49 OK 11 68 - 15 - 3.6/3848=3, ~2168=2...(7) QB ALA 63 - HA ASN 49 poor 10 92 - 11 - 3.6/4494=5, 3913/4494=2 HG12 ILE 33 - HA ASN 49 lone 5 65 - 8 - 1.8/4485=2, 4.5/5179=1 HG2 LYS 73 - HA ASN 49 lone 3 99 - 3 - HG3 LYS 13 - HA ASN 49 lone 2 92 - 2 - HG3 LYS 85 - HA ASN 49 lone 1 87 - 1 - Peak 4484 from cnoeabs.peaks (1.33, 4.14, 55.66 ppm; 4.13 A): 3 out of 8 assignments used, quality = 0.89: HB2 LEU 52 + HA ASN 49 OK 79 100 - 79 - 3.1/4486=33, 1.8/4483=26...(10) HB2 LEU 51 + HA ASN 49 OK 39 97 - 41 - 4.6/4494=15, 3.9/4495=10...(8) QB ALA 28 + HA ASN 49 OK 14 99 - 14 - 5532/4485=3, 4838/3.6=2...(4) HG2 ARG 54 - HA ASN 49 poor 8 68 - 12 - 4.9/4495=4, 659/4495=1...(4) HG3 LYS 32 - HA ASN 49 lone 7 100 - 7 - 4.9/4205=2, 2281/4486=1 QG2 THR 58 - HA ASN 49 lone 2 83 - 3 - QB ALA 12 - HA ASN 49 lone 2 100 - 2 - QB ALA 16 - HA ASN 49 lone 1 65 - 2 - Peak 4485 from cnoeabs.peaks (1.20, 4.14, 55.66 ppm; 4.17 A): 2 out of 5 assignments used, quality = 0.84: HG LEU 52 + HA ASN 49 OK 80 100 - 80 - 2.1/4486=41, 3.0/4483=21...(9) QG2 VAL 65 + HA ASN 49 OK 18 89 - 20 - 5315/4486=7, 4726/4548=4...(6) HG13 ILE 33 - HA ASN 49 poor 8 73 - 11 - 2283/4486=2, 1.8/4483=2...(5) QG2 THR 15 - HA ASN 49 lone 6 100 - 6 - QG2 THR 37 - HA ASN 49 lone 4 73 - 6 - 6128/4484=1, 2283/4486=1 Peak 4486 from cnoeabs.peaks (0.45, 4.14, 55.66 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.70: QD1 LEU 52 + HA ASN 49 OK 70 99 - 71 - 2.1/4485=20, 4546=17...(9) Peak 4488 from cnoeabs.peaks (4.49, 2.90, 37.13 ppm; 4.27 A): 3 out of 3 assignments used, quality = 0.90: HA ASP 46 + HB2 ASN 49 OK 71 100 - 72 - 5360/1.8=18, 4489/4.0=15...(16) HA ASP 67 + HB2 ASN 49 OK 52 95 - 55 - 5360/1.8=13, 5359/3.5=8...(13) HA ASP 24 + HB2 ASN 49 OK 28 100 - 27 - 5360/1.8=7, 5359/3.5=5...(5) Peak 4492 from cnoeabs.peaks (7.05, 4.14, 55.66 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.77: QD PHE 48 + HA ASN 49 OK 77 83 - 94 - 2.2/4493=42, ~177=27...(17) Peak 4493 from cnoeabs.peaks (7.18, 4.14, 55.66 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.47: QE PHE 48 + HA ASN 49 OK 47 60 - 78 - 2.2/4492=35, ~180=22...(11) Peak 4494 from cnoeabs.peaks (7.42, 4.14, 55.66 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.82: H LEU 52 + HA ASN 49 OK 76 100 - 76 - 4.8/4486=23, 4542=20...(11) H LEU 64 + HA ASN 49 OK 23 99 - 23 - 2279/4486=5, 5672/3.6=4...(9) Peak 4495 from cnoeabs.peaks (7.54, 4.14, 55.66 ppm; 4.82 A): 4 out of 4 assignments used, quality = 0.86: H LEU 51 + HA ASN 49 OK 69 100 - 69 - 4947/3.0=35, 187/3.6=24...(7) H ARG 54 + HA ASN 49 OK 36 100 - 36 - 923/3.6=9, 4490/3.0=6...(13) H LEU 43 + HA ASN 49 OK 22 96 - 23 - 149/3.6=8, 4490/3.0=6...(5) HD21 ASN 80 + HA ASN 49 OK 11 95 - 11 - 4490/3.0=2, 923/3.6=2 Peak 4502 from cnoeabs.peaks (1.39, 3.96, 59.12 ppm; 3.60 A): 6 out of 24 assignments used, quality = 0.83: QB ALA 53 + HA GLU 50 OK 53 100 - 53 - 4962=20, 2.9/4509=11...(13) HB3 ARG 69 + HA GLU 50 OK 26 100 - 26 - 1.8/5047=3, 4766=3...(12) HG3 ARG 69 + HA GLU 50 OK 23 92 - 25 - 3.0/5047=2, 3.0/4766=2...(13) QB ALA 53 + HA GLN 61 OK 19 97 - 19 - 4962=7, 2.9/4509=5...(5) HG2 LYS 75 + HA GLN 61 OK 11 97 - 11 - 2.9/2527=2, 2.9/2527=2 HG3 LYS 75 + HA GLN 61 OK 11 97 - 11 - 2.9/2527=2, 2.9/2527=2 HB3 ARG 69 - HA GLN 61 lone 8 96 - 8 - 1.8/5047=1 HG3 ARG 69 - HA GLN 61 lone 7 86 - 8 - HG2 LYS 75 - HA GLU 50 lone 6 100 - 6 - HG3 LYS 75 - HA GLU 50 lone 6 100 - 6 - HG3 LYS 73 - HA GLN 61 lone 6 96 - 6 - ~4657=1 HG3 LYS 39 - HA GLU 50 lone 5 95 - 5 - QB ALA 77 - HA GLU 50 lone 5 90 - 5 - 2.9/349=1 QB ALA 20 - HA GLU 50 lone 4 93 - 5 - HG3 LYS 73 - HA GLU 50 lone 4 100 - 4 - HG3 LYS 39 - HA GLN 61 lone 4 89 - 5 - QB ALA 78 - HA GLU 50 lone 4 100 - 4 - QB ALA 20 - HA GLN 61 lone 4 87 - 4 - 3.6/5758=2 QB ALA 77 - HA GLN 61 lone 2 84 - 2 - HG2 LYS 85 - HA GLU 50 lone 2 93 - 2 - QB ALA 78 - HA GLN 61 lone 1 96 - 2 - HG2 LYS 85 - HA GLN 61 lone 1 87 - 2 - HG2 LYS 83 - HA GLU 50 lone 1 76 - 1 - HG2 LYS 83 - HA GLN 61 lone 1 70 - 1 - Peak 4503 from cnoeabs.peaks (0.71, 3.96, 59.12 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 57 + HA GLN 61 OK 80 96 - 83 - 4663/3.0=16, 4662/3.0=14...(24) QD1 ILE 33 + HA GLN 61 OK 77 97 - 80 - 4225/3.0=15, 4663/3.0=14...(23) QD1 ILE 33 - HA GLU 50 OK 19 100 - 19 - 4227=3, 5550/3.0=2 QD2 LEU 57 - HA GLU 50 OK 14 100 - 14 - 4.8/5757=2 Peak 4504 from cnoeabs.peaks (0.85, 3.96, 59.12 ppm; 4.90 A): 8 out of 14 assignments used, quality = 0.91: QD2 LEU 64 + HA GLN 61 OK 56 95 - 60 - 5311/3.0=12, 4.4/4941=9...(17) QD1 LEU 62 + HA GLN 61 OK 28 70 - 40 - 723/3.6=12, 2600/4.7=8...(7) QD2 LEU 64 + HA GLU 50 OK 26 99 - 27 - 4.4/4941=6, 4384=3...(8) QD2 LEU 29 + HA GLN 61 OK 23 95 - 24 - 2.1/2527=3, ~5778=3...(6) QD1 LEU 43 + HA GLU 50 OK 18 78 - 23 - 2030/3.6=9, 4.8/3851=3...(4) QD1 LEU 43 + HA GLN 61 OK 18 72 - 25 - 5356/4.0=4, 2.1/4505=3...(10) QD1 LEU 29 + HA GLN 61 OK 15 55 - 27 - 723/3.6=7, 2600/4.7=4...(8) QD2 LEU 29 + HA GLU 50 OK 11 99 - 11 - 4.8/77=2, ~5670=1 QG2 ILE 89 - HA GLN 61 poor 9 92 - 10 - 6122/4503=1 QD1 LEU 62 - HA GLU 50 poor 9 76 - 12 - 4.8/3901=3, 5239/3.7=2...(4) QD2 LEU 86 - HA GLN 61 lone 6 79 - 8 - QG2 ILE 89 - HA GLU 50 lone 6 97 - 6 - QD1 LEU 29 - HA GLU 50 lone 6 60 - 9 - 4.8/77=2, ~5670=1, 661/3.6=1 QD2 LEU 86 - HA GLU 50 lone 5 85 - 6 - Peak 4505 from cnoeabs.peaks (0.94, 3.96, 59.12 ppm; 5.29 A): 5 out of 16 assignments used, quality = 0.93: QD1 LEU 64 + HA GLN 61 OK 53 89 - 60 - 2.1/4504=10, 4.4/4941=10...(16) QD2 LEU 62 + HA GLN 61 OK 51 90 - 57 - 2592/3.6=21, 2593/4.7=18...(9) QG2 VAL 41 + HA GLU 50 OK 41 99 - 41 - 3823/3.0=8, ~3822=5...(9) QD2 LEU 43 + HA GLN 61 OK 30 96 - 32 - 4389/4.0=5, 722/3.6=4...(12) QD2 LEU 43 + HA GLU 50 OK 26 100 - 26 - 2037/3.6=12, 2.1/4504=3...(4) QD1 LEU 64 - HA GLU 50 OK 25 95 - 27 - 4.4/4941=7, 2.1/4504=5...(6) QG2 ILE 40 - HA GLN 61 OK 24 90 - 27 - 4310/4.7=6, 722/3.6=5...(6) QG2 VAL 41 - HA GLN 61 OK 19 95 - 21 - 722/3.6=3, 4336=3...(5) QG2 ILE 40 - HA GLU 50 OK 19 96 - 19 - 4.0/4509=6, 4.4/4905=2...(4) QD2 LEU 62 - HA GLU 50 OK 16 96 - 17 - 5001/3.7=4, 4.8/3901=3...(4) QG2 VAL 76 - HA GLU 50 OK 15 81 - 18 - 3.9/812=2, 4.3/349=2...(6) QG1 VAL 76 - HA GLU 50 OK 15 81 - 18 - 3.9/812=2, 4.3/349=2...(6) HG12 ILE 68 - HA GLN 61 OK 14 74 - 19 - 722/3.6=3, 2569/4.7=3...(8) QG2 VAL 76 - HA GLN 61 OK 14 74 - 19 - 3.9/812=2, 722/3.6=2...(8) QG1 VAL 76 - HA GLN 61 OK 14 74 - 19 - 3.9/812=2, 722/3.6=2...(9) HG12 ILE 68 - HA GLU 50 lone 8 81 - 9 - 5.0/5379=2 Peak 4509 from cnoeabs.peaks (7.22, 3.96, 59.12 ppm; 4.32 A): 3 out of 4 assignments used, quality = 0.80: H ALA 53 + HA GLU 50 OK 65 100 - 65 - 4549=20, 2.9/4962=16...(11) H ALA 53 + HA GLN 61 OK 30 97 - 31 - 4549=9, 2.9/4962=5...(8) H ILE 40 + HA GLU 50 OK 19 78 - 24 - 4943/3.6=7, 4508/3.0=5...(4) H ILE 40 - HA GLN 61 poor 10 72 - 13 - 4308/4.7=2, 4.0/4505=1 Peak 4510 from cnoeabs.peaks (4.40, 2.04, 29.07 ppm; 3.68 A): 6 out of 12 assignments used, quality = 0.90: HA ASP 47 + HB2 GLU 50 OK 56 98 - 57 - 4506/3.9=14, 4511/3.0=12...(15) HA ASP 47 + HB3 GLU 50 OK 56 98 - 57 - 4506/3.9=14, 4511/3.0=12...(15) HA MET 31 + HB2 GLU 50 OK 19 73 - 25 - 4506/3.9=3, 3.0/2191=2...(12) HA MET 31 + HB3 GLU 50 OK 19 73 - 25 - 4506/3.9=3, 3.0/2191=2...(12) HA MET 11 + HB3 GLU 50 OK 12 83 - 15 - 4511/3.0=5, 4506/3.9=3...(4) HA MET 11 + HB2 GLU 50 OK 12 83 - 15 - 4511/3.0=5, 4506/3.9=3...(4) HA ASP 47 - HB2 GLU 25 lone 5 72 - 7 - 4439=1 HA ASP 47 - HB3 GLU 25 lone 5 70 - 7 - 4439=1 HA MET 31 - HB2 GLU 25 lone 4 48 - 9 - 1527/1.8=1, ~5518=1 HA MET 31 - HB3 GLU 25 lone 4 47 - 9 - 1527/1.8=1, ~5518=1 HA MET 11 - HB2 GLU 25 lone 1 56 - 1 - HA MET 11 - HB3 GLU 25 lone 1 55 - 1 - Peak 4511 from cnoeabs.peaks (4.38, 2.37, 36.01 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.68: HA ASP 47 + HG2 GLU 50 OK 59 100 - 59 - 4506/4.9=19, 4934=17...(10) HA MET 11 + HG2 GLU 50 OK 23 98 - 23 - 6110=4, 4506/4.9=4...(7) HA MET 11 - HG2 GLU 59 lone 3 59 - 5 - 6110=1 HA ASP 47 - HG2 GLU 59 lone 3 63 - 5 - 4934=1 Peak 4512 from cnoeabs.peaks (4.40, 2.21, 36.01 ppm; 5.83 A): 3 out of 15 assignments used, quality = 0.79: HA ASP 47 + HG3 GLU 50 OK 64 93 - 69 - 4511/1.8=26, 4506/4.9=26...(9) HA MET 31 + HG3 GLU 50 OK 27 85 - 31 - 4506/4.9=6, 4510/3.0=5...(9) HA MET 11 + HG3 GLU 50 OK 21 71 - 29 - 4511/1.8=10, 4506/4.9=5...(8) HA ASP 47 - HG2 GLU 87 poor 10 90 - 11 - 4506/656=3, 4526/192=3 HA ASP 47 - HG3 GLU 87 poor 10 89 - 11 - 4506/656=3, 4526/192=3 HA MET 11 - HG2 GLU 87 lone 5 68 - 8 - HA MET 11 - HG3 GLU 87 lone 5 67 - 8 - HA MET 31 - HG2 GLU 87 lone 4 81 - 5 - HA MET 31 - HG3 GLU 87 lone 4 81 - 5 - HA ASP 47 - HG3 GLU 19 lone 4 63 - 6 - HA ASP 47 - HG2 GLU 19 lone 4 63 - 6 - HA MET 31 - HG3 GLU 19 lone 2 56 - 4 - HA MET 31 - HG2 GLU 19 lone 2 56 - 4 - HA MET 11 - HG3 GLU 19 lone 2 45 - 4 - HA MET 11 - HG2 GLU 19 lone 2 45 - 4 - Peak 4513 from cnoeabs.peaks (3.02, 3.89, 57.93 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.96: HD2 ARG 54 + HA LEU 51 OK 80 99 - 81 - 3.6/5220=15, 4573/4.0=13...(29) HD3 ARG 54 + HA LEU 51 OK 79 98 - 81 - 3.6/5220=15, 4573/4.0=13...(29) HB2 TYR 81 - HA LEU 51 OK 11 95 - 12 - 4519/4.0=3, 4.4/4945=2 Peak 4515 from cnoeabs.peaks (1.78, 0.19, 24.73 ppm; 4.50 A): 3 out of 16 assignments used, quality = 0.99: HB3 LYS 39 + QD2 LEU 51 OK 83 100 - 84 - 1.8/5204=25, 2.9/6087=24...(24) HB2 ARG 54 + QD2 LEU 51 OK 83 90 - 92 - ~5145=23, 5144/2.1=21...(37) HB ILE 33 + QD2 LEU 51 OK 47 95 - 50 - 3.0/2238=7, 4219/3.1=7...(16) HB2 LYS 32 - QD2 LEU 51 OK 44 99 - 44 - 2.9/2239=4, 4517/2.1=3...(22) HB3 LYS 32 - QD2 LEU 51 OK 44 99 - 44 - 2.9/2239=4, 4517/2.1=3...(22) HG2 PRO 34 - QD2 LEU 51 OK 36 78 - 46 - 4242/4568=10...(13) HB3 LYS 75 - QD2 LEU 51 OK 35 99 - 35 - 1.8/5204=9, 5205=8...(11) HB2 PRO 34 - QD2 LEU 51 OK 34 100 - 34 - 4247/4665=5, 5707/4568=5...(11) HB2 LEU 57 - QD2 LEU 51 OK 28 92 - 31 - ~5177=7, 4598/2.1=6...(11) HB3 LYS 73 - QD2 LEU 51 OK 25 100 - 25 - 5205=6, ~5255=2, ~6094=2...(7) HB2 ARG 69 - QD2 LEU 51 OK 17 81 - 21 - 5979/6095=4, 3.0/5680=4...(9) HB2 LYS 13 - QD2 LEU 51 OK 14 99 - 14 - 5205=3, 4.8/5680=2, 5109/4917=1 HB3 ARG 82 - QD2 LEU 51 lone 5 90 - 6 - HB3 ARG 84 - QD2 LEU 51 lone 4 81 - 5 - HB2 LYS 85 - QD2 LEU 51 lone 4 81 - 5 - 5205=1 HB2 LYS 83 - QD2 LEU 51 lone 4 100 - 4 - Peak 4516 from cnoeabs.peaks (2.87, 0.19, 24.73 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.97: HB3 PHE 48 + QD2 LEU 51 OK 88 99 - 90 - 2.5/4625=33, 3.0/4470=30...(21) HB2 PHE 35 + QD2 LEU 51 OK 76 81 - 95 - 2.6/4568=38, 1.8/4865=34...(19) HB2 ASN 49 - QD2 LEU 51 OK 13 73 - 17 - ~4484=4, 4549/4625=3...(7) HB2 ASP 67 - QD2 LEU 51 poor 8 73 - 10 - 4537/4568=2, 4518/2.1=1...(5) Peak 4517 from cnoeabs.peaks (1.77, 0.62, 23.89 ppm; 4.22 A): 3 out of 19 assignments used, quality = 0.99: HB2 ARG 54 + QD1 LEU 51 OK 90 98 - 92 - 5144=21, 1.8/5145=21...(34) HB3 LYS 39 + QD1 LEU 51 OK 75 99 - 76 - ~5204=16, 5205/2.1=15...(25) HB ILE 33 + QD1 LEU 51 OK 46 99 - 47 - 3.0/2245=8, 4219/3.1=6...(14) HB3 LYS 32 - QD1 LEU 51 OK 43 100 - 43 - 2.9/2246=4, 4515/2.1=3...(22) HB2 LYS 32 - QD1 LEU 51 OK 43 100 - 43 - 2.9/2246=4, 4515/2.1=3...(22) HG2 PRO 34 - QD1 LEU 51 OK 40 92 - 43 - 4242/4534=10...(12) HB2 LEU 57 - QD1 LEU 51 OK 32 99 - 33 - 3.1/5177=9, 4598/2.1=6...(11) HB2 PRO 34 - QD1 LEU 51 OK 31 100 - 31 - 5707/4534=5, 5144=4...(9) HB2 LEU 62 - QD1 LEU 51 OK 29 63 - 46 - 3.1/2248=5, 3.0/6093=4...(21) HB3 LYS 75 - QD1 LEU 51 OK 28 95 - 30 - 5205/2.1=6, ~5204=5...(9) HB3 LYS 73 - QD1 LEU 51 OK 22 100 - 22 - 5205/2.1=4, 2.9/6094=2...(6) HB2 LYS 13 - QD1 LEU 51 lone 7 92 - 8 - 5205/2.1=2 HB2 ARG 69 - QD1 LEU 51 poor 7 63 - 11 - ~5680=2, 1.8/6094=1, 4515/2.1=1 HB3 ARG 82 - QD1 LEU 51 lone 6 98 - 6 - HB2 LYS 83 - QD1 LEU 51 lone 3 99 - 3 - HB3 ARG 84 - QD1 LEU 51 lone 3 63 - 4 - HG3 ARG 71 - QD1 LEU 51 lone 3 76 - 3 - HG3 ARG 26 - QD1 LEU 51 lone 2 68 - 3 - HB2 LYS 85 - QD1 LEU 51 lone 2 63 - 4 - Peak 4518 from cnoeabs.peaks (2.88, 0.62, 23.89 ppm; 4.02 A): 3 out of 5 assignments used, quality = 0.96: HB3 PHE 48 + QD1 LEU 51 OK 79 100 - 79 - 3.0/4469=20, ~4625=18...(18) HB2 PHE 35 + QD1 LEU 51 OK 58 63 - 92 - 2.6/4534=33, 1.8/5353=27...(17) HB3 PHE 35 + QD1 LEU 51 OK 53 57 - 92 - 2.6/4534=33, 3.0/5682=23...(19) HB2 ASN 49 - QD1 LEU 51 poor 10 89 - 11 - ~4484=3, 2140/4469=2...(5) HB2 ASP 67 - QD1 LEU 51 lone 7 89 - 8 - 4537/4534=2, 2737/5574=1 Peak 4519 from cnoeabs.peaks (3.02, 0.62, 23.89 ppm; 3.85 A): 3 out of 3 assignments used, quality = 0.95: HD2 ARG 54 + QD1 LEU 51 OK 75 93 - 80 - 4573=17, 1.8/4573=15...(30) HD3 ARG 54 + QD1 LEU 51 OK 74 92 - 80 - 4573=17, 1.8/4573=15...(30) HB2 TYR 81 + QD1 LEU 51 OK 21 85 - 25 - 2.5/5686=7, ~4527=6...(6) Peak 4520 from cnoeabs.peaks (0.83, 0.19, 24.73 ppm; 3.75 A): 5 out of 7 assignments used, quality = 0.93: QD1 LEU 43 + QD2 LEU 51 OK 77 100 - 77 - 4917=48, 2.1/4916=24...(12) QD2 LEU 86 + QD2 LEU 51 OK 35 100 - 35 - 2.1/2241=5, ~2248=3...(15) QD2 LEU 29 + QD2 LEU 51 OK 29 97 - 29 - 2.1/2241=4, 4839/3.1=3...(10) QD2 LEU 64 + QD2 LEU 51 OK 25 97 - 26 - 4.4/3860=4, 2640/4.6=4...(10) QG2 ILE 68 + QD2 LEU 51 OK 12 68 - 18 - 5249/5173=4, 2760/4301=2...(5) QG2 ILE 89 - QD2 LEU 51 lone 10 99 - 10 - 3617/4917=3, 2042/4916=1 QD1 ILE 89 - QD2 LEU 51 lone 6 73 - 9 - 3635/4917=3, 2042/4916=1 Peak 4521 from cnoeabs.peaks (4.02, 0.19, 24.73 ppm; 4.67 A): 3 out of 6 assignments used, quality = 0.99: HA PHE 48 + QD2 LEU 51 OK 94 99 - 94 - 4470=49, 4469/2.1=31...(18) HA ARG 54 + QD2 LEU 51 OK 83 92 - 91 - ~5145=20, ~5144=16...(31) HB2 SER 22 + QD2 LEU 51 OK 52 96 - 55 - 1.8/2238=9, 4522/2.1=7...(14) HD2 PRO 44 - QD2 LEU 51 OK 36 92 - 40 - 5295/4917=6, 5646/4.5=5...(14) HA GLU 59 - QD2 LEU 51 OK 13 78 - 17 - 4639/2.1=2, 4523/3.1=2...(9) HA ARG 70 - QD2 LEU 51 OK 12 81 - 14 - 4522/2.1=1, 5222/2.1=1...(6) Peak 4522 from cnoeabs.peaks (4.02, 0.62, 23.89 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.99: HA PHE 48 + QD1 LEU 51 OK 87 100 - 87 - 4470/2.1=36, 4469=32...(15) HA ARG 54 + QD1 LEU 51 OK 82 90 - 91 - 3.0/5144=21, 3.0/5145=21...(27) HB2 SER 22 + QD1 LEU 51 OK 50 95 - 53 - 1.8/2245=9, 4521/2.1=6...(14) HD2 PRO 44 - QD1 LEU 51 OK 27 93 - 29 - 5646/4.5=5, 4521/2.1=4...(12) HA GLU 59 - QD1 LEU 51 OK 11 81 - 14 - 4639/2.1=2, 4523/3.1=2...(5) HA ARG 70 - QD1 LEU 51 poor 10 78 - 12 - 4521/2.1=1, 5222/2.1=1...(5) Peak 4523 from cnoeabs.peaks (4.03, 1.60, 41.26 ppm; 3.84 A): 3 out of 6 assignments used, quality = 0.94: HA PHE 48 + HB3 LEU 51 OK 73 100 - 73 - 4470/3.1=22, 4469/3.1=17...(15) HA ARG 54 + HB3 LEU 51 OK 67 83 - 81 - 3.0/2223=10, ~5145=10...(30) HB2 SER 22 + HB3 LEU 51 OK 36 89 - 40 - 1.8/2224=8, 1255/3.0=4...(13) HD2 PRO 44 - HB3 LEU 51 OK 21 97 - 22 - 5646/3.9=4, 4521/3.1=3...(11) HA GLU 59 - HB3 LEU 51 OK 12 89 - 13 - 4638=2, 4639/3.0=2, ~235=2 HA ARG 70 - HB3 LEU 51 lone 6 68 - 9 - Peak 4524 from cnoeabs.peaks (4.01, 1.32, 41.26 ppm; 4.43 A): 3 out of 10 assignments used, quality = 0.98: HA ARG 54 + HB2 LEU 51 OK 91 100 - 91 - ~5145=14, 2303=13...(35) HA PHE 48 + HB2 LEU 51 OK 67 87 - 77 - 4470/3.1=25, 4466=22...(13) HB2 SER 22 + HB2 LEU 51 OK 50 100 - 50 - 1.8/2217=7, ~2224=7...(14) HA ARG 54 - HB2 LEU 52 OK 35 60 - 58 - ~4966=13, 5695/3.1=8...(16) HD2 PRO 44 - HB2 LEU 51 OK 16 65 - 25 - 4525/3.9=4, 4523/1.8=3...(10) HA PHE 48 - HB2 LEU 52 OK 13 47 - 27 - 5224/3.9=8, 4466=6...(6) HA ARG 70 - HB2 LEU 51 OK 11 98 - 11 - 2845/1.8=1, 5222/3.0=1...(5) HB2 SER 22 - HB2 LEU 52 poor 10 61 - 16 - 5224/3.9=4, 5695/3.1=3...(4) HA ARG 70 - HB2 LEU 52 poor 6 57 - 10 - 5695/3.1=3, 5694/3.1=2 HD2 PRO 44 - HB2 LEU 52 lone 2 33 - 7 - 5224/3.9=2 Peak 4527 from cnoeabs.peaks (7.06, 0.19, 24.73 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 48 + QD2 LEU 51 OK 93 100 - 93 - 4625=49, 2.2/6095=30...(21) QD TYR 81 + QD2 LEU 51 OK 55 95 - 58 - 5686/2.1=11, 2.2/4648=9...(23) Peak 4528 from cnoeabs.peaks (6.95, 0.19, 24.73 ppm; 4.28 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD2 LEU 51 OK 95 99 - 96 - 4584=48, 2.2/4568=39...(20) HZ PHE 35 + QD2 LEU 51 OK 89 100 - 89 - 2.2/4584=38, 3.8/4568=28...(19) HZ PHE 48 + QD2 LEU 51 OK 71 100 - 71 - 2.2/6095=26, 3.8/4625=24...(15) HD22 ASN 42 - QD2 LEU 51 OK 13 95 - 14 - 4366/4301=2, 4365/5947=2...(6) Peak 4529 from cnoeabs.peaks (6.81, 0.19, 24.73 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 55 + QD2 LEU 51 OK 97 99 - 98 - 2.2/4665=41, 4647/2.1=41...(22) HE22 GLN 61 + QD2 LEU 51 OK 48 78 - 62 - 5223/2.1=12, 4533/2.1=10...(16) QE TYR 81 - QD2 LEU 51 OK 42 78 - 54 - 2.2/4527=15, 4648=11...(14) Peak 4530 from cnoeabs.peaks (6.66, 0.19, 24.73 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + QD2 LEU 51 OK 99 100 - 99 - 4568=47, 4534/2.1=41...(29) Peak 4531 from cnoeabs.peaks (7.32, 0.62, 23.89 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.84: QD TYR 55 + QD1 LEU 51 OK 84 87 - 97 - 2.2/5727=34, 4637=31...(26) Peak 4532 from cnoeabs.peaks (6.94, 0.62, 23.89 ppm; 4.22 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 51 OK 97 100 - 97 - 4580=43, 4584/2.1=39...(21) HZ PHE 35 + QD1 LEU 51 OK 86 99 - 86 - 2.2/4580=32, 3.8/4534=28...(17) HZ PHE 48 + QD1 LEU 51 OK 54 99 - 55 - ~6095=18, 3.8/5686=12...(10) HD22 ASN 42 - QD1 LEU 51 lone 8 100 - 8 - 4528/2.1=2, 4366/5175=2 Peak 4533 from cnoeabs.peaks (6.81, 0.62, 23.89 ppm; 3.42 A): 3 out of 3 assignments used, quality = 0.92: QE TYR 55 + QD1 LEU 51 OK 85 99 - 85 - 5727=35, 2.2/4531=23...(17) HE22 GLN 61 + QD1 LEU 51 OK 29 78 - 36 - 5223/2.1=5, 4529/2.1=4...(15) QE TYR 81 + QD1 LEU 51 OK 26 78 - 34 - 5727=8, 4648/2.1=6...(10) Peak 4534 from cnoeabs.peaks (6.65, 0.62, 23.89 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 35 + QD1 LEU 51 OK 95 100 - 95 - 4568/2.1=38, 2.2/4580=28...(25) Peak 4536 from cnoeabs.peaks (6.94, 3.81, 57.23 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.95: QE PHE 35 + HA LEU 52 OK 78 100 - 78 - 4570=36, 4581/3.9=30...(11) HZ PHE 35 + HA LEU 52 OK 61 100 - 61 - 2.2/4570=27, 4594/3.9=17...(10) HZ PHE 48 + HA LEU 52 OK 41 100 - 42 - 4618/3.9=17, 4619/3.9=17...(7) HD22 ASN 42 - HA LEU 52 lone 6 99 - 6 - Peak 4537 from cnoeabs.peaks (7.06, 1.20, 26.33 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 48 + HG LEU 52 OK 95 99 - 96 - 5361/2.1=40, 4959/2.1=39...(14) QD TYR 81 - HG LEU 52 OK 16 89 - 17 - 4959/2.1=7, 5361/2.1=6 Peak 4538 from cnoeabs.peaks (7.15, 0.44, 24.59 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.92: QE PHE 48 + QD1 LEU 52 OK 92 100 - 92 - 4614=38, 4540/2.1=31...(23) Peak 4539 from cnoeabs.peaks (6.94, 0.44, 24.59 ppm; 3.69 A): 3 out of 4 assignments used, quality = 0.99: QE PHE 35 + QD1 LEU 52 OK 86 100 - 86 - 4581/2.1=34, 4582=27...(20) HZ PHE 48 + QD1 LEU 52 OK 83 100 - 83 - 2.2/4538=32, 4619=27...(14) HZ PHE 35 + QD1 LEU 52 OK 77 100 - 77 - 2.2/4582=24, 4595=24...(14) HD22 ASN 42 - QD1 LEU 52 lone 6 99 - 6 - Peak 4540 from cnoeabs.peaks (7.14, 0.51, 22.90 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.88: QE PHE 48 + QD2 LEU 52 OK 88 95 - 93 - 4538/2.1=35, 4613=33...(20) Peak 4541 from cnoeabs.peaks (6.96, 0.51, 22.90 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.98: QE PHE 35 + QD2 LEU 52 OK 78 97 - 80 - 4581=33, 4582/2.1=18...(19) HZ PHE 48 + QD2 LEU 52 OK 74 99 - 75 - 2.2/4540=24, 4618=23...(14) HZ PHE 35 + QD2 LEU 52 OK 73 97 - 75 - 2.2/4581=26, 4594=23...(16) HD22 ASN 42 - QD2 LEU 52 lone 5 87 - 5 - Peak 4543 from cnoeabs.peaks (4.13, 1.33, 40.92 ppm; 4.45 A): 3 out of 16 assignments used, quality = 0.95: HA ASN 49 + HB2 LEU 52 OK 86 100 - 86 - 4486/3.1=37, 4483/1.8=28...(10) HA ALA 53 + HB2 LEU 52 OK 50 60 - 84 - 3.0/3863=18, ~3864=17...(16) HA ALA 30 + HB2 LEU 52 OK 33 100 - 33 - 3.0/5535=6, 4544/1.8=5...(12) HA ASN 49 - HB2 LEU 51 OK 29 60 - 48 - 4494/4.6=18, 4484=13...(9) HA LEU 29 - HB2 LEU 52 OK 26 68 - 38 - 3.6/5535=5, 3.0/78=5...(14) HA ARG 27 - HB2 LEU 52 OK 13 85 - 16 - 3.0/5520=4, 3.6/543=4...(6) HA ALA 53 - HB2 LEU 51 OK 13 30 - 43 - ~5674=10, 3.0/202=9...(11) HA LEU 29 - HB2 LEU 51 OK 12 34 - 34 - 4.0/4839=4, 3.0/78=4...(11) HA ALA 30 - HB2 LEU 51 OK 10 61 - 17 - 3.0/5535=4, 3.6/5086=4...(5) HA ARG 23 - HB2 LEU 52 lone 4 99 - 4 - HA GLN 91 - HB2 LEU 52 lone 4 100 - 4 - HA ARG 27 - HB2 LEU 51 lone 3 45 - 7 - 3.0/5520=1, 3.6/543=1 HB THR 88 - HB2 LEU 52 lone 3 92 - 3 - HA GLN 91 - HB2 LEU 51 lone 2 61 - 3 - HA ARG 23 - HB2 LEU 51 lone 1 58 - 2 - HB THR 88 - HB2 LEU 51 lone 1 51 - 2 - Peak 4544 from cnoeabs.peaks (4.14, 1.47, 40.92 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.93: HA ASN 49 + HB3 LEU 52 OK 84 100 - 84 - 4486/3.1=34, 4483=31...(9) HA ALA 53 + HB3 LEU 52 OK 59 73 - 80 - 3.0/3864=23, ~205=13...(15) HA ALA 30 - HB3 LEU 52 OK 27 100 - 27 - 4543/1.8=4, ~5535=4...(10) HA LEU 29 - HB3 LEU 52 OK 23 81 - 28 - 4183/1.8=4, ~78=3...(10) HA ARG 27 - HB3 LEU 52 poor 9 73 - 12 - 5.0/2267=3, ~5520=3...(6) HB THR 15 - HB3 LEU 52 poor 9 63 - 13 - 2.1/2269=3, 1135/3.0=2...(7) HA GLN 91 - HB3 LEU 52 lone 4 99 - 4 - HA ARG 23 - HB3 LEU 52 lone 3 95 - 4 - HB THR 88 - HB3 LEU 52 lone 2 83 - 2 - HA ILE 89 - HB3 LEU 52 lone 1 57 - 2 - Peak 4545 from cnoeabs.peaks (4.14, 1.20, 26.33 ppm; 4.94 A): 2 out of 9 assignments used, quality = 0.97: HA ASN 49 + HG LEU 52 OK 91 100 - 91 - 4486/2.1=48, 4485=34...(13) HA ALA 53 + HG LEU 52 OK 64 71 - 91 - ~205=24, ~206=24...(16) HA ALA 30 - HG LEU 52 OK 31 100 - 31 - 4548/2.1=5, 4544/3.0=5...(11) HA LEU 29 - HG LEU 52 OK 29 78 - 38 - 4.9/5532=10, 4548/2.1=4...(12) HA ARG 27 - HG LEU 52 OK 15 76 - 20 - 5.0/5532=9, ~5520=3...(6) HB THR 15 - HG LEU 52 OK 13 60 - 21 - 3.0/1131=3, 4.4/20=2...(10) HA ARG 23 - HG LEU 52 lone 5 96 - 5 - HA GLN 91 - HG LEU 52 lone 5 100 - 5 - HB THR 88 - HG LEU 52 lone 3 85 - 3 - Peak 4546 from cnoeabs.peaks (4.14, 0.44, 24.59 ppm; 3.93 A): 2 out of 11 assignments used, quality = 0.94: HA ASN 49 + QD1 LEU 52 OK 85 100 - 85 - 4486=49, 4485/2.1=22...(11) HA ALA 53 + QD1 LEU 52 OK 58 78 - 74 - 3.0/205=24, ~206=15...(15) HA ALA 30 - QD1 LEU 52 OK 21 99 - 22 - 4548/2.1=3, 4544/3.1=3...(9) HA LEU 29 - QD1 LEU 52 OK 19 85 - 22 - 4548/2.1=3, 4545/2.1=3...(10) HB THR 15 - QD1 LEU 52 poor 8 68 - 11 - 2.1/2283=2, 1135/2.1=2...(6) HA ARG 27 - QD1 LEU 52 lone 7 68 - 10 - 5.0/2281=3, ~5520=2...(6) HA GLN 91 - QD1 LEU 52 lone 3 99 - 3 - HA ARG 23 - QD1 LEU 52 lone 3 92 - 3 - HA LYS 73 - QD1 LEU 52 lone 3 52 - 6 - 3.8/2282=1 HB THR 88 - QD1 LEU 52 lone 2 78 - 2 - HA ILE 89 - QD1 LEU 52 lone 1 63 - 1 - Peak 4547 from cnoeabs.peaks (3.92, 0.51, 22.90 ppm; 4.42 A): 5 out of 6 assignments used, quality = 0.95: HA LEU 62 + QD2 LEU 52 OK 79 100 - 79 - 4.0/5237=30, 5309=28...(14) HA LEU 51 + QD2 LEU 52 OK 51 65 - 77 - 3.6/670=33, 3.0/2264=12...(20) HA THR 37 + QD2 LEU 52 OK 40 90 - 44 - 4267/6096=8, 4957/2.1=5...(16) HA2 GLY 18 + QD2 LEU 52 OK 10 99 - 10 - 2593/5237=2, 4957/2.1=2...(5) HA3 GLY 18 + QD2 LEU 52 OK 10 98 - 10 - 2593/5237=2, 4957/2.1=2...(5) HB3 SER 22 - QD2 LEU 52 poor 9 68 - 13 - 1.8/5695=4, 194/4.8=2...(4) Peak 4548 from cnoeabs.peaks (4.13, 0.51, 22.90 ppm; 4.58 A): 2 out of 8 assignments used, quality = 0.94: HA ASN 49 + QD2 LEU 52 OK 87 100 - 87 - 4486/2.1=45, 4485/2.1=28...(12) HA ALA 53 + QD2 LEU 52 OK 54 63 - 86 - 3.0/206=31, ~205=21...(15) HA ALA 30 - QD2 LEU 52 OK 27 100 - 27 - 4546/2.1=4, 4544/3.1=4...(9) HA LEU 29 - QD2 LEU 52 OK 22 71 - 31 - 4546/2.1=4, 4545/2.1=4...(13) HA ARG 27 - QD2 LEU 52 OK 11 83 - 13 - 5.0/2288=4, ~5520=2...(6) HA GLN 91 - QD2 LEU 52 lone 4 100 - 4 - HA ARG 23 - QD2 LEU 52 lone 4 98 - 4 - HB THR 88 - QD2 LEU 52 lone 2 90 - 3 - Peak 4550 from cnoeabs.peaks (0.89, 3.81, 57.23 ppm; 4.66 A): 2 out of 6 assignments used, quality = 0.94: HG LEU 51 + HA LEU 52 OK 85 100 - 85 - ~198=22, 5684/3.0=15...(26) QD1 LEU 62 + HA LEU 52 OK 60 93 - 64 - 2.1/5957=26, 4952/3.9=11...(13) QD1 LEU 29 - HA LEU 52 OK 19 99 - 19 - 197/3.0=4, 4952/3.9=3...(7) QD1 LEU 86 - HA LEU 52 OK 17 100 - 17 - 197/3.0=4, 4952/3.9=2...(9) QG2 VAL 90 - HA LEU 52 OK 11 97 - 11 - 197/3.0=2, ~197=1...(4) QG1 VAL 90 - HA LEU 52 OK 11 96 - 11 - 197/3.0=2, ~197=2...(4) Peak 4551 from cnoeabs.peaks (0.99, 3.81, 57.23 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.86: QD1 LEU 57 + HA LEU 52 OK 81 99 - 83 - 4607=32, 4613/3.9=25...(19) QG1 VAL 45 + HA LEU 52 OK 23 100 - 23 - 6098/3.0=5, 4554/3.9=5...(6) Peak 4552 from cnoeabs.peaks (0.97, 1.20, 26.33 ppm; 4.63 A): 4 out of 4 assignments used, quality = 0.83: QD1 LEU 57 + HG LEU 52 OK 52 60 - 87 - 4554/2.1=28, ~5751=24...(21) QD1 LEU 64 + HG LEU 52 OK 46 96 - 48 - 4.4/2272=10, 4554/2.1=9...(12) QG1 VAL 45 + HG LEU 52 OK 24 85 - 28 - 4554/2.1=8, 4551/3.7=5...(6) QD2 LEU 43 + HG LEU 52 OK 11 78 - 14 - 4919/4537=3, 4.8/5690=2...(4) Peak 4553 from cnoeabs.peaks (0.93, 0.44, 24.59 ppm; 4.04 A): 2 out of 8 assignments used, quality = 0.94: QD2 LEU 62 + QD1 LEU 52 OK 90 100 - 90 - 4680=50, 5237/2.1=38...(22) QG2 ILE 40 + QD1 LEU 52 OK 34 100 - 34 - 4323/4538=13, 4.0/3866=6...(8) QD1 LEU 64 - QD1 LEU 52 OK 24 71 - 33 - 4.4/2279=7, ~5162=5...(12) HG12 ILE 68 - QD1 LEU 52 OK 19 98 - 20 - ~4757=4, ~4758=3...(8) QD2 LEU 43 - QD1 LEU 52 OK 14 92 - 15 - 4919/4959=4, 4612/4538=2 QG2 VAL 41 - QD1 LEU 52 OK 11 100 - 11 - 4329/4582=2, 5034/5314=1 QG2 VAL 76 - QD1 LEU 52 lone 6 98 - 6 - QG1 VAL 76 - QD1 LEU 52 lone 6 98 - 6 - Peak 4554 from cnoeabs.peaks (0.98, 0.51, 22.90 ppm; 3.36 A): 3 out of 3 assignments used, quality = 0.79: QD1 LEU 57 + QD2 LEU 52 OK 67 87 - 77 - 4613=29, 2.1/5751=15...(25) QD1 LEU 64 + QD2 LEU 52 OK 21 76 - 28 - 4552/2.1=6, 4.4/2286=5...(13) QG1 VAL 45 + QD2 LEU 52 OK 19 99 - 20 - 4551/3.9=3, 5656/5361=3...(8) Peak 4555 from cnoeabs.peaks (1.96, 0.51, 22.90 ppm; 5.06 A): 2 out of 10 assignments used, quality = 0.98: HG LEU 57 + QD2 LEU 52 OK 95 100 - 96 - 2.1/4613=45, 2.1/5751=38...(24) HB2 LEU 64 + QD2 LEU 52 OK 57 96 - 59 - 4.0/2286=12, 3.1/4554=9...(17) HB3 ARG 66 - QD2 LEU 52 OK 36 87 - 42 - ~5970=21, 3.0/5695=7...(8) HG3 PRO 14 - QD2 LEU 52 OK 28 71 - 39 - 2.3/2287=10, ~2280=8...(8) HG2 PRO 14 - QD2 LEU 52 OK 28 71 - 39 - 2.3/2287=10, ~2280=8...(8) HB2 ARG 70 - QD2 LEU 52 OK 16 100 - 16 - 3.0/5695=5, ~5694=2...(5) HB3 ARG 70 - QD2 LEU 52 OK 16 100 - 16 - 3.0/5695=5, ~5694=2...(5) HB2 MET 31 - QD2 LEU 52 OK 13 73 - 18 - 6120/5751=5, 2467/4613=4...(4) HG LEU 43 - QD2 LEU 52 poor 7 60 - 12 - ~4552=3, ~4553=2...(4) HB2 GLN 79 - QD2 LEU 52 lone 4 99 - 4 - Peak 4560 from cnoeabs.peaks (7.69, 4.16, 52.94 ppm; 4.90 A): 4 out of 4 assignments used, quality = 0.84: H TYR 55 + HA ALA 53 OK 68 100 - 69 - 4973/3.0=29, 927/3.6=26...(5) H GLN 61 + HA ALA 53 OK 33 99 - 33 - 927/3.6=9, 3870/4.8=6...(8) H MET 31 + HA ALA 53 OK 14 85 - 16 - 927/3.6=4, 4559/3.0=4...(4) H ASN 42 + HA ALA 53 OK 11 57 - 20 - 4559/3.0=4, 927/3.6=4...(6) Peak 4561 from cnoeabs.peaks (7.32, 1.76, 30.94 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.80: QD TYR 55 + HB2 ARG 54 OK 72 76 - 95 - 4563/1.8=35, 687/4.6=23...(24) QD TYR 55 + HB2 PRO 34 OK 30 32 - 92 - 4246/2.3=26, 5565/2.3=19...(30) QD TYR 55 - HB3 ARG 17 lone 1 31 - 4 - Peak 4562 from cnoeabs.peaks (6.80, 1.76, 30.94 ppm; 4.57 A): 3 out of 6 assignments used, quality = 0.95: QE TYR 55 + HB2 ARG 54 OK 82 90 - 90 - 2.2/4561=25, ~4563=24...(21) QE TYR 81 + HB2 ARG 54 OK 54 96 - 57 - ~4684=14, 4970/1.8=11...(12) QE TYR 55 + HB2 PRO 34 OK 35 41 - 84 - ~4246=23, ~5565=22...(18) QE TYR 81 - HB2 PRO 34 poor 9 45 - 20 - 5291/1.8=4, 2.2/4683=3...(6) QE TYR 55 - HB3 ARG 17 lone 1 40 - 4 - QE TYR 81 - HB3 ARG 17 lone 1 44 - 2 - Peak 4563 from cnoeabs.peaks (7.32, 1.55, 30.94 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.73: QD TYR 55 + HB3 ARG 54 OK 73 76 - 97 - 4561/1.8=30, 687/4.6=26...(29) Peak 4564 from cnoeabs.peaks (7.25, 3.03, 43.51 ppm; 5.15 A): 2 out of 6 assignments used, quality = 1.00: HE ARG 54 + HD2 ARG 54 OK 93 93 - 100 - 2.9=100 HE ARG 54 + HD3 ARG 54 OK 93 93 - 100 - 2.9=100 H ILE 40 - HD2 ARG 54 OK 30 99 - 31 - 5306/3.6=8, 5949/3.0=6...(7) H ILE 40 - HD3 ARG 54 OK 30 99 - 31 - 5306/3.6=8, 5949/3.0=6...(7) H ASP 47 - HD2 ARG 54 lone 4 89 - 5 - ~2125=3 H ASP 47 - HD3 ARG 54 lone 4 89 - 5 - ~2125=3 Peak 4565 from cnoeabs.peaks (6.81, 3.03, 43.51 ppm; 4.31 A): 3 out of 6 assignments used, quality = 0.97: QE TYR 55 + HD2 ARG 54 OK 76 99 - 76 - ~4968=15, 4640=14...(15) QE TYR 55 + HD3 ARG 54 OK 76 99 - 76 - ~4968=15, 4640=13...(15) QE TYR 81 + HD2 ARG 54 OK 41 78 - 53 - 2.2/4676=10, 4969/3.0=7...(13) QE TYR 81 - HD3 ARG 54 OK 41 78 - 53 - 2.2/4676=10, 4969/3.0=7...(13) HE22 GLN 61 - HD2 ARG 54 OK 17 78 - 21 - 4969/3.0=4, 4970/3.6=3...(9) HE22 GLN 61 - HD3 ARG 54 OK 17 78 - 21 - 4969/3.0=4, 4970/3.6=3...(9) Peak 4566 from cnoeabs.peaks (6.80, 1.58, 27.15 ppm; 6.07 A): 2 out of 15 assignments used, quality = 0.98: QE TYR 55 + HG3 ARG 54 OK 94 97 - 98 - ~4968=35, ~4563=33...(24) QE TYR 81 + HG3 ARG 54 OK 66 89 - 74 - ~4684=18, 4969/1.8=16...(13) QE TYR 55 - HG LEU 62 OK 37 84 - 44 - 2.2/5950=10, 4646/2.1=7...(13) HE22 GLN 61 - HG3 ARG 54 OK 32 65 - 49 - 5713/4.8=10, 4969/1.8=8...(13) QE TYR 55 - HG LEU 86 OK 14 64 - 23 - 2.2/5950=4, ~4655=4...(6) QE TYR 55 - HG2 ARG 84 poor 8 75 - 11 - 2.2/5950=2, ~5950=2 QE TYR 55 - HG3 ARG 84 poor 8 75 - 11 - 2.2/5950=2, ~5950=2 QE TYR 81 - HG LEU 62 lone 7 75 - 9 - HE22 GLN 61 - HG LEU 62 poor 7 53 - 13 - 6.6/5706=4, 4672/5325=1 QE TYR 81 - HG2 ARG 84 lone 5 66 - 7 - 4678/3.9=3 QE TYR 81 - HG3 ARG 84 lone 5 66 - 7 - 4678/3.9=3 QE TYR 81 - HG LEU 86 lone 3 56 - 5 - HE22 GLN 61 - HG LEU 86 lone 2 38 - 6 - HE22 GLN 61 - HG2 ARG 84 lone 2 46 - 4 - HE22 GLN 61 - HG3 ARG 84 lone 2 46 - 4 - Peak 4568 from cnoeabs.peaks (3.89, 1.76, 30.94 ppm; 4.41 A): 4 out of 12 assignments used, quality = 0.99: HA LEU 51 + HB2 ARG 54 OK 92 99 - 92 - 5220/1.8=23, 4.0/5144=17...(32) HB3 SER 22 + HB2 ARG 54 OK 51 99 - 52 - 1.8/2308=9, 4569/1.8=8...(14) HA ILE 33 + HB2 PRO 34 OK 47 51 - 92 - 4216/3.0=32, 4217/3.0=28...(30) HA ILE 33 + HB2 ARG 54 OK 46 100 - 46 - 4569/1.8=7, 4570/3.0=4...(23) HD2 PRO 36 - HB2 PRO 34 OK 33 42 - 78 - 4236/3.0=12, 4250/4.0=11...(29) HD2 PRO 36 - HB2 ARG 54 OK 23 92 - 25 - 5578/5707=4, 4569/1.8=3...(10) HA LEU 51 - HB2 PRO 34 OK 19 50 - 39 - 4862/2.3=6, 4236/3.0=5...(12) HB3 SER 22 - HB2 PRO 34 poor 9 49 - 18 - 4862/2.3=3, 5497/1.8=3...(7) HA LEU 51 - HB3 ARG 17 lone 2 48 - 4 - HA ILE 33 - HB3 ARG 17 lone 1 49 - 3 - HB3 SER 22 - HB3 ARG 17 lone 1 47 - 3 - HD2 PRO 36 - HB3 ARG 17 lone 1 41 - 2 - Peak 4569 from cnoeabs.peaks (3.89, 1.55, 30.94 ppm; 4.49 A): 2 out of 5 assignments used, quality = 0.97: HA LEU 51 + HB3 ARG 54 OK 93 100 - 93 - 5220=25, 4.0/5145=22...(32) HB3 SER 22 + HB3 ARG 54 OK 52 100 - 52 - 1.8/2316=11, ~2308=7...(13) HA ILE 33 - HB3 ARG 54 OK 42 99 - 42 - 4568/1.8=5, 4570/3.0=5...(20) HA LEU 62 - HB3 ARG 54 OK 26 60 - 44 - 4570/3.0=4, 3.0/2317=4...(25) HD2 PRO 36 - HB3 ARG 54 OK 21 76 - 27 - 4568/1.8=3, 4261=3...(13) Peak 4570 from cnoeabs.peaks (3.90, 1.31, 27.15 ppm; 4.75 A): 2 out of 7 assignments used, quality = 0.96: HA LEU 51 + HG2 ARG 54 OK 91 99 - 92 - 5220/3.0=20, 4513/3.0=17...(32) HB3 SER 22 + HG2 ARG 54 OK 57 99 - 57 - 1.8/2324=11, 4569/3.0=8...(16) HA ILE 33 - HG2 ARG 54 OK 42 96 - 44 - 3.0/99=7, 4569/3.0=6...(15) HA LEU 62 - HG2 ARG 54 OK 36 76 - 48 - 4.0/5004=4, 4569/3.0=4...(21) HD2 PRO 36 - HG2 ARG 54 OK 14 60 - 23 - 4569/3.0=3, 4568/3.0=2...(9) HA2 GLY 18 - HG2 ARG 54 lone 2 65 - 3 - HA3 GLY 18 - HG2 ARG 54 lone 2 63 - 3 - Peak 4571 from cnoeabs.peaks (3.90, 3.03, 43.51 ppm; 4.09 A): 2 out of 10 assignments used, quality = 0.97: HA LEU 51 + HD3 ARG 54 OK 82 100 - 83 - 4513=20, 4513/1.8=17...(29) HA LEU 51 + HD2 ARG 54 OK 82 100 - 83 - 4513=21, 4513/1.8=17...(29) HB3 SER 22 - HD3 ARG 54 OK 41 100 - 41 - 4570/3.0=6, 4569/3.6=5...(14) HB3 SER 22 - HD2 ARG 54 OK 41 100 - 41 - 4570/3.0=6, 4569/3.6=5...(14) HA ILE 33 - HD2 ARG 54 OK 28 99 - 28 - 4570/3.0=4, 4569/3.6=4...(10) HA ILE 33 - HD3 ARG 54 OK 28 99 - 28 - 4570/3.0=4, 4569/3.6=4...(10) HA LEU 62 - HD3 ARG 54 OK 17 63 - 28 - 4570/3.0=4, 4569/3.6=3...(13) HA LEU 62 - HD2 ARG 54 OK 17 63 - 28 - 4570/3.0=4, 4569/3.6=3...(13) HD2 PRO 36 - HD3 ARG 54 poor 10 73 - 13 - 4569/3.6=2, 4568/3.6=2...(6) HD2 PRO 36 - HD2 ARG 54 poor 10 73 - 13 - 4569/3.6=2, 4568/3.6=2...(6) Peak 4572 from cnoeabs.peaks (3.89, 1.58, 27.15 ppm; 4.11 A): 3 out of 25 assignments used, quality = 0.95: HA LEU 51 + HG3 ARG 54 OK 83 100 - 83 - 5220/3.0=17, 4513/3.0=14...(30) HB3 SER 22 + HG3 ARG 54 OK 48 100 - 48 - ~2324=7, 4570/1.8=7...(14) HA LEU 62 + HG LEU 62 OK 47 49 - 98 - 4.3=89, 3.0/2575=11...(25) HA ILE 33 - HG3 ARG 54 OK 36 99 - 37 - 4570/1.8=5, 4569/3.0=5...(12) HA LEU 51 - HG LEU 62 OK 34 90 - 38 - 2213/2.1=5, ~5004=4...(15) HA LEU 51 - HG LEU 86 OK 24 70 - 35 - 2213/2.1=6, 5220/3.0=3...(15) HA LEU 62 - HG3 ARG 54 OK 22 60 - 37 - 4570/1.8=4, 3.0/2585=3...(20) HD2 PRO 36 - HG3 ARG 54 OK 18 76 - 23 - 4569/3.0=2, 4261=2...(8) HA LEU 62 - HG LEU 86 OK 16 35 - 45 - 2570/2.1=4, ~2577=3...(20) HA ILE 33 - HG LEU 62 lone 8 88 - 9 - HD2 PRO 36 - HG LEU 62 poor 7 63 - 12 - 3.0/4875=1, 4261=1...(4) HA LEU 51 - HG2 ARG 84 lone 5 81 - 6 - HA LEU 51 - HG3 ARG 84 lone 5 81 - 6 - HA LEU 62 - HG3 ARG 84 poor 5 42 - 11 - HA LEU 62 - HG2 ARG 84 poor 5 42 - 11 - HB3 SER 22 - HG LEU 62 lone 3 90 - 4 - HB3 SER 22 - HG3 ARG 84 lone 3 81 - 4 - HB3 SER 22 - HG2 ARG 84 lone 3 81 - 4 - HA ILE 33 - HG LEU 86 lone 3 68 - 4 - HB3 SER 22 - HG LEU 86 lone 2 70 - 2 - HD2 PRO 36 - HG LEU 86 lone 2 46 - 4 - HA ILE 33 - HG3 ARG 84 lone 2 79 - 2 - HA ILE 33 - HG2 ARG 84 lone 2 79 - 2 - HD2 PRO 36 - HG2 ARG 84 lone 1 55 - 2 - HD2 PRO 36 - HG3 ARG 84 lone 1 55 - 2 - Peak 4573 from cnoeabs.peaks (0.61, 3.03, 43.51 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 51 + HD3 ARG 54 OK 72 87 - 83 - 5145/3.6=19, 4519=17...(30) QD1 LEU 51 + HD2 ARG 54 OK 72 87 - 83 - 5145/3.6=19, 4519=18...(30) Peak 4574 from cnoeabs.peaks (7.69, 3.70, 50.06 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: H TYR 55 + HD3 PRO 56 OK 99 100 - 99 - 4.8=95, 687/4.6=31...(10) H TYR 55 + HD2 PRO 56 OK 99 100 - 99 - 4.8=95, 687/4.6=31...(10) H GLN 61 - HD3 PRO 56 OK 22 97 - 23 - 4627/4.6=7, 2355/3.8=6...(4) H GLN 61 - HD2 PRO 56 OK 22 97 - 23 - 4627/4.6=7, 2355/3.8=6...(4) H ASN 42 - HD2 PRO 56 OK 21 71 - 29 - ~2414=4, ~2400=4...(12) H ASN 42 - HD3 PRO 56 OK 21 71 - 29 - ~2414=4, ~2400=4...(12) H MET 31 - HD2 PRO 56 OK 13 93 - 14 - 2355/3.8=3, 2373/4.6=3...(4) H MET 31 - HD3 PRO 56 OK 13 93 - 14 - 2355/3.8=3, 2373/4.6=3...(4) Peak 4575 from cnoeabs.peaks (7.34, 3.70, 50.06 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 55 + HD3 PRO 56 OK 93 100 - 93 - 4.6=68, 4555/3.8=29...(12) QD TYR 55 + HD2 PRO 56 OK 93 100 - 93 - 4.6=68, 4555/3.8=29...(12) Peak 4576 from cnoeabs.peaks (3.69, 4.90, 55.12 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.96: HD2 PRO 56 + HA TYR 55 OK 80 99 - 81 - 3.8=51, 1.8/4977=16...(14) HD3 PRO 56 + HA TYR 55 OK 80 99 - 81 - 3.8=51, 1.8/4977=16...(14) HA VAL 45 - HA TYR 55 lone 9 99 - 9 - ~5730=2, 4580/3.0=1...(4) HD3 PRO 44 - HA TYR 55 lone 2 89 - 2 - Peak 4578 from cnoeabs.peaks (3.70, 2.80, 40.22 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 56 + HB2 TYR 55 OK 96 99 - 97 - 4.8=74, 4977/3.0=20...(16) HD2 PRO 56 + HB2 TYR 55 OK 96 99 - 97 - 4.8=74, 4977/3.0=20...(16) HA VAL 45 - HB2 TYR 55 OK 20 97 - 20 - 3.2/4586=6, 4579/1.8=3...(7) Peak 4579 from cnoeabs.peaks (3.71, 2.94, 40.22 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.99: HD3 PRO 56 + HB3 TYR 55 OK 90 95 - 95 - 4.8=66, 4977/3.0=19...(16) HD2 PRO 56 + HB3 TYR 55 OK 90 95 - 95 - 4.8=66, 4977/3.0=19...(16) HA VAL 45 - HB3 TYR 55 OK 17 92 - 18 - 3.2/5149=5, ~4586=4...(6) Peak 4584 from cnoeabs.peaks (1.95, 2.80, 40.22 ppm; 4.57 A): 4 out of 9 assignments used, quality = 0.94: HG LEU 57 + HB2 TYR 55 OK 91 100 - 91 - 2.1/4587=22, 2.1/4586=21...(21) HB2 MET 31 + HB2 TYR 55 OK 17 93 - 19 - 5733/3.8=4, 6120/4587=3...(6) HB2 LEU 64 + HB2 TYR 55 OK 10 78 - 13 - 3.0/5287=2, 5025/5152=2...(5) HB VAL 41 + HB2 TYR 55 OK 10 83 - 12 - 4588/1.8=2, 4688/4572=2...(6) HB3 ARG 66 - HB2 TYR 55 lone 8 99 - 9 - 4688/4572=2, ~4662=1, 4588/1.8=1 HB3 ARG 70 - HB2 TYR 55 lone 5 100 - 5 - 5733/3.8=1 HB2 ARG 70 - HB2 TYR 55 lone 5 100 - 5 - 5733/3.8=1 HG13 ILE 68 - HB2 TYR 55 lone 4 68 - 6 - ~4588=1, 4688/4572=1 HB2 GLN 79 - HB2 TYR 55 lone 2 89 - 2 - Peak 4585 from cnoeabs.peaks (1.77, 2.80, 40.22 ppm; 5.01 A): 5 out of 17 assignments used, quality = 1.00: HB2 LEU 57 + HB2 TYR 55 OK 91 100 - 91 - 3.0/4584=22, 3.1/4587=21...(19) HG2 PRO 34 + HB2 TYR 55 OK 91 98 - 93 - 4246/2.5=39, 4859=38...(21) HB2 ARG 54 + HB2 TYR 55 OK 90 100 - 90 - 4561/2.5=28, ~4563=27...(14) HB2 PRO 34 + HB2 TYR 55 OK 85 97 - 88 - 2.3/4859=30, ~4246=26...(19) HB ILE 33 + HB2 TYR 55 OK 53 100 - 53 - 3.2/4587=14, ~4590=10...(14) HB2 LYS 32 - HB2 TYR 55 OK 36 100 - 37 - 4247/2.5=5, ~4247=4...(16) HB3 LYS 32 - HB2 TYR 55 OK 36 100 - 37 - 4247/2.5=5, ~4247=4...(16) HB3 LYS 39 - HB2 TYR 55 OK 25 93 - 27 - ~4666=6, ~4634=6...(9) HB2 LEU 62 - HB2 TYR 55 OK 22 78 - 29 - 5777/3.8=7, ~5950=4...(8) HB3 LYS 73 - HB2 TYR 55 OK 12 98 - 12 - 4.3/797=2, 212/3.8=1...(4) HB3 LYS 75 - HB2 TYR 55 OK 11 85 - 13 - 4.6/5855=3, ~4666=2, 4.0/334=2 HB2 LYS 13 - HB2 TYR 55 poor 10 81 - 12 - 4.8/5229=7 HB3 ARG 82 - HB2 TYR 55 lone 8 100 - 7 - 4247/2.5=2 HG3 ARG 71 - HB2 TYR 55 lone 5 89 - 5 - HG3 ARG 26 - HB2 TYR 55 lone 4 83 - 5 - HB3 ARG 17 - HB2 TYR 55 lone 3 71 - 4 - HB2 LYS 83 - HB2 TYR 55 lone 3 95 - 3 - Peak 4586 from cnoeabs.peaks (1.00, 2.80, 40.22 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 57 + HB2 TYR 55 OK 93 98 - 95 - 5149/1.8=25, 2.1/4584=24...(22) QG1 VAL 45 + HB2 TYR 55 OK 33 85 - 39 - 5730/3.8=8, 5149/1.8=7...(13) QD1 ILE 40 - HB2 TYR 55 OK 30 68 - 44 - 4635/2.5=10, ~4588=10...(8) Peak 4587 from cnoeabs.peaks (0.71, 2.80, 40.22 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 57 + HB2 TYR 55 OK 94 100 - 94 - 6132/3.0=29, 4989/2.5=26...(22) QD1 ILE 33 + HB2 TYR 55 OK 64 100 - 64 - 4636/2.5=17, 4590/1.8=15...(17) Peak 4588 from cnoeabs.peaks (1.92, 2.94, 40.22 ppm; 5.15 A): 3 out of 9 assignments used, quality = 0.51: HG12 ILE 40 + HB3 TYR 55 OK 32 87 - 37 - 4322/5716=12...(7) HB2 MET 31 + HB3 TYR 55 OK 17 95 - 18 - 1530/3.8=4, 6120/4590=4...(5) HB VAL 41 + HB3 TYR 55 OK 14 99 - 14 - 2.1/6092=2, 3821/3.8=2...(6) HB3 ARG 66 - HB3 TYR 55 lone 6 85 - 8 - ~4662=1, 4688/4571=1...(4) HG13 ILE 68 - HB3 TYR 55 lone 6 100 - 6 - HB ILE 68 - HB3 TYR 55 lone 5 68 - 7 - 5246/5149=2 HB2 GLU 19 - HB3 TYR 55 lone 2 95 - 2 - HB3 GLU 87 - HB3 TYR 55 lone 2 92 - 2 - HB2 GLN 91 - HB3 TYR 55 lone 1 68 - 2 - Peak 4589 from cnoeabs.peaks (1.76, 2.94, 40.22 ppm; 4.69 A): 5 out of 17 assignments used, quality = 1.00: HB2 LEU 57 + HB3 TYR 55 OK 90 100 - 91 - 3.1/4590=19, 3.1/5149=19...(20) HG2 PRO 34 + HB3 TYR 55 OK 90 100 - 90 - 4246/2.5=35, 4859/1.8=29...(20) HB2 ARG 54 + HB3 TYR 55 OK 82 100 - 83 - 4561/2.5=25, ~4563=24...(12) HB2 PRO 34 + HB3 TYR 55 OK 74 89 - 84 - ~4246=23, ~5565=22...(17) HB ILE 33 + HB3 TYR 55 OK 49 99 - 49 - 3.2/4590=13, ~4587=9...(12) HB2 LYS 32 - HB3 TYR 55 OK 28 97 - 29 - 4247/2.5=4, ~4247=4...(12) HB3 LYS 32 - HB3 TYR 55 OK 28 97 - 29 - 4247/2.5=4, ~4247=4...(12) HB2 LEU 62 - HB3 TYR 55 OK 23 90 - 26 - 5777/3.8=7, ~5950=4...(8) HB3 LYS 39 - HB3 TYR 55 OK 19 83 - 23 - ~4666=6, ~4634=5...(8) HB3 ARG 82 - HB3 TYR 55 lone 7 100 - 6 - 4247/2.5=1 HB2 LYS 13 - HB3 TYR 55 lone 6 65 - 10 - 4.8/5227=6 HB3 LYS 73 - HB3 TYR 55 lone 6 92 - 7 - 212/3.8=1 HB3 LYS 75 - HB3 TYR 55 lone 5 71 - 6 - ~4666=2 HG3 ARG 71 - HB3 TYR 55 lone 4 97 - 4 - HG3 ARG 26 - HB3 TYR 55 lone 3 93 - 4 - HB3 ARG 17 - HB3 TYR 55 lone 3 85 - 3 - HB2 LYS 83 - HB3 TYR 55 lone 2 85 - 2 - Peak 4590 from cnoeabs.peaks (0.70, 2.94, 40.22 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 57 + HB3 TYR 55 OK 86 92 - 94 - 6132/3.0=26, 4989/2.5=23...(25) QD1 ILE 33 + HB3 TYR 55 OK 59 97 - 61 - 4636/2.5=16, 4587/1.8=14...(18) Peak 4593 from cnoeabs.peaks (1.76, 7.34, 134.10 ppm; 5.16 A): 7 out of 16 assignments used, quality = 1.00: HG2 PRO 34 + QD TYR 55 OK 98 100 - 98 - 4246=50, 1.8/5565=43...(32) HB2 ARG 54 + QD TYR 55 OK 97 99 - 98 - 4.6/687=36, 4.1/5703=34...(25) HB2 LEU 57 + QD TYR 55 OK 89 99 - 91 - 3.1/4989=25, ~4584=15...(23) HB2 PRO 34 + QD TYR 55 OK 79 81 - 98 - 2.3/4246=42, 2.3/5565=40...(31) HB ILE 33 + QD TYR 55 OK 74 97 - 76 - 3.2/4636=17, 3.0/4632=12...(19) HB2 LYS 32 + QD TYR 55 OK 50 92 - 55 - 1.8/4247=6, 3.0/4662=6...(28) HB3 LYS 32 + QD TYR 55 OK 50 92 - 55 - 1.8/4247=6, 3.0/4662=6...(28) HB2 LEU 62 - QD TYR 55 OK 42 96 - 44 - 5777/4.4=8, 3.0/5950=7...(18) HB3 LYS 39 - QD TYR 55 OK 35 73 - 48 - 2.9/4634=10, 1.8/4666=10...(18) HB3 LYS 73 - QD TYR 55 OK 14 85 - 16 - 5205/4665=2, 4.7/2376=1...(4) HB3 ARG 82 - QD TYR 55 OK 13 99 - 13 - 4247=2, 2.9/4634=1 HG3 ARG 71 - QD TYR 55 OK 10 99 - 10 - 2.8/4666=2, 2.8/4666=2 HB3 LYS 75 - QD TYR 55 poor 10 60 - 16 - 1.8/4666=3, 5205/4665=2 HG3 ARG 26 - QD TYR 55 lone 7 97 - 7 - 3.0/4666=1 HB3 ARG 17 - QD TYR 55 lone 6 92 - 6 - HB2 LYS 83 - QD TYR 55 lone 3 76 - 4 - Peak 4595 from cnoeabs.peaks (2.80, 3.70, 50.06 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: HB2 TYR 55 + HD3 PRO 56 OK 97 100 - 97 - 4.8=71, 3.0/4977=20...(16) HB2 TYR 55 + HD2 PRO 56 OK 97 100 - 97 - 4.8=71, 3.0/4977=20...(16) HB2 ASN 74 - HD3 PRO 56 OK 17 99 - 18 - 2357/3.8=5, 2375/4.6=4...(4) HB2 ASN 74 - HD2 PRO 56 OK 17 99 - 18 - 2357/3.8=5, 2375/4.6=4...(4) HB3 ASN 74 - HD3 PRO 56 OK 11 78 - 14 - 2357/3.8=3, 2375/4.6=3...(4) HB3 ASN 74 - HD2 PRO 56 OK 11 78 - 14 - 2357/3.8=3, 2375/4.6=3...(4) Peak 4596 from cnoeabs.peaks (2.94, 3.70, 50.06 ppm; 3.89 A): 2 out of 18 assignments used, quality = 0.99: HB3 TYR 55 + HD2 PRO 56 OK 92 100 - 92 - 4.8=54, 3.0/4977=18...(15) HB3 TYR 55 + HD3 PRO 56 OK 92 100 - 92 - 4.8=54, 3.0/4977=18...(15) HB3 PHE 35 - HD2 PRO 56 OK 14 65 - 21 - 4557/4.6=5, 2364/4.8=4...(6) HB3 PHE 35 - HD3 PRO 56 OK 14 65 - 21 - 4557/4.6=5, 2364/4.8=4...(6) HE2 LYS 32 - HD3 PRO 56 lone 6 90 - 7 - 2376/4.6=2, 2358/3.8=2...(4) HE2 LYS 32 - HD2 PRO 56 lone 6 90 - 7 - 2376/4.6=2, 2358/3.8=2...(4) HE3 LYS 32 - HD2 PRO 56 lone 6 89 - 7 - 2376/4.6=2, 2358/3.8=2...(4) HE3 LYS 32 - HD3 PRO 56 lone 6 89 - 7 - 2376/4.6=2, 2358/3.8=2...(4) HE3 LYS 73 - HD2 PRO 56 lone 4 92 - 5 - HE3 LYS 73 - HD3 PRO 56 lone 4 92 - 5 - HE2 LYS 73 - HD3 PRO 56 lone 4 90 - 5 - HE2 LYS 73 - HD2 PRO 56 lone 4 90 - 5 - HE3 LYS 75 - HD3 PRO 56 lone 3 76 - 4 - HE3 LYS 75 - HD2 PRO 56 lone 3 76 - 4 - HE2 LYS 75 - HD3 PRO 56 lone 3 73 - 3 - HE2 LYS 75 - HD2 PRO 56 lone 3 73 - 3 - HE3 LYS 13 - HD3 PRO 56 lone 1 60 - 2 - HE3 LYS 13 - HD2 PRO 56 lone 1 60 - 2 - Peak 4598 from cnoeabs.peaks (0.90, 1.77, 44.00 ppm; 4.54 A): 5 out of 11 assignments used, quality = 0.78: QD2 LEU 62 + HB2 LEU 57 OK 38 63 - 61 - 4599/1.8=12, 4.8/4618=11...(15) QD1 LEU 62 + HB2 LEU 57 OK 37 63 - 59 - 4.8/4618=11, ~4599=10...(15) HG LEU 51 + HB2 LEU 57 OK 30 97 - 31 - ~5177=7, 4599/1.8=4...(12) QG2 ILE 40 + HB2 LEU 57 OK 10 63 - 17 - ~5954=3, 4599/1.8=3...(4) QD1 LEU 86 + HB2 LEU 57 OK 10 93 - 11 - 4597/3.8=2, 3.1/4982=1 QG2 VAL 76 - HB2 LEU 57 poor 10 85 - 12 - 4597/3.8=3, 4599/1.8=2, ~4599=2 QG1 VAL 76 - HB2 LEU 57 poor 10 85 - 12 - 4597/3.8=3, 4599/1.8=2, ~4599=2 QD1 LEU 29 - HB2 LEU 57 lone 8 78 - 10 - 4597/3.8=1, 3.1/4982=1 HG12 ILE 68 - HB2 LEU 57 lone 7 85 - 9 - 4599/1.8=2, 4597/3.8=1 QG1 VAL 90 - HB2 LEU 57 lone 5 100 - 5 - 4597/3.8=1 QG2 VAL 90 - HB2 LEU 57 lone 5 100 - 5 - 4597/3.8=1 Peak 4599 from cnoeabs.peaks (0.92, 1.47, 44.00 ppm; 4.70 A): 6 out of 11 assignments used, quality = 0.86: QD2 LEU 62 + HB3 LEU 57 OK 67 95 - 71 - 4.8/4619=12, 5005=10...(24) HG LEU 51 + HB3 LEU 57 OK 20 71 - 29 - ~5177=7, 4598/1.8=6...(10) QG2 VAL 41 + HB3 LEU 57 OK 17 87 - 19 - 2.1/4904=5, 2.1/2446=2...(5) QG2 ILE 40 + HB3 LEU 57 OK 15 95 - 16 - ~5954=4, 4598/1.8=2...(4) QG2 VAL 76 + HB3 LEU 57 OK 12 100 - 12 - 4597/3.8=3, 4598/1.8=2, ~4598=2 QG1 VAL 76 + HB3 LEU 57 OK 12 100 - 12 - 4597/3.8=3, 4598/1.8=2, ~4598=2 HG12 ILE 68 - HB3 LEU 57 lone 9 100 - 9 - 4598/1.8=1, 4597/3.8=1, ~5246=1 QD1 LEU 86 - HB3 LEU 57 poor 6 60 - 10 - 4597/3.8=2, 4598/1.8=2 QG1 VAL 90 - HB3 LEU 57 lone 4 89 - 5 - 4597/3.8=1, 4598/1.8=1 QG2 VAL 90 - HB3 LEU 57 lone 4 87 - 5 - 4597/3.8=1 QD2 LEU 43 - HB3 LEU 57 lone 3 63 - 5 - Peak 4600 from cnoeabs.peaks (2.51, 1.77, 44.00 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.93: HB2 GLN 61 + HB2 LEU 57 OK 77 83 - 93 - 4653/4.2=24, 4601/1.8=21...(24) HG3 MET 31 + HB2 LEU 57 OK 69 87 - 79 - 4601/1.8=18, 4848/3.1=14...(22) HB2 PRO 44 - HB2 LEU 57 lone 6 65 - 9 - ~5954=3, 5215/3.1=2, ~4846=1 Peak 4601 from cnoeabs.peaks (2.52, 1.47, 44.00 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.98: HB2 GLN 61 + HB3 LEU 57 OK 91 97 - 93 - 4653/4.2=27, 5771/3.1=19...(25) HG3 MET 31 + HB3 LEU 57 OK 80 99 - 81 - 4600/1.8=16, 4602/3.1=15...(23) Peak 4602 from cnoeabs.peaks (2.52, 0.71, 23.03 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLN 61 + QD2 LEU 57 OK 95 99 - 95 - 4662=25, 1.8/4985=23...(25) HG3 MET 31 + QD2 LEU 57 OK 87 100 - 87 - 4848=18, 1.8/4847=17...(26) HB3 ASP 46 - QD2 LEU 57 OK 13 65 - 19 - 1.8/4603=5, 4445/2.1=5...(6) Peak 4603 from cnoeabs.peaks (2.72, 0.71, 23.03 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.87: HD2 PRO 34 + QD2 LEU 57 OK 85 100 - 85 - 1.8/4605=26, 4231=24...(24) HB2 ASP 46 + QD2 LEU 57 OK 13 78 - 16 - ~4445=5, ~5749=2...(4) HB2 ASN 80 - QD2 LEU 57 lone 6 87 - 7 - 4215/4612=1, 1698/4605=1 Peak 4604 from cnoeabs.peaks (2.95, 0.71, 23.03 ppm; 4.67 A): 1 out of 10 assignments used, quality = 0.94: HB3 TYR 55 + QD2 LEU 57 OK 94 99 - 95 - 3.0/6132=29, 4590=27...(26) HE2 LYS 32 - QD2 LEU 57 OK 19 99 - 19 - 3.9/5750=2, 5151/2.1=2...(6) HE3 LYS 32 - QD2 LEU 57 OK 19 99 - 19 - 3.9/5750=2, 5151/2.1=2...(6) HE3 LYS 73 - QD2 LEU 57 OK 17 100 - 17 - 5745/4.7=3, 3.7/2459=2...(4) HE2 LYS 73 - QD2 LEU 57 OK 16 99 - 16 - 5745/4.7=2, 3.7/2459=2...(4) HE3 LYS 13 - QD2 LEU 57 OK 13 85 - 16 - 2.9/4985=4, 2.9/4985=4 HE2 LYS 13 - QD2 LEU 57 OK 13 83 - 16 - 2.9/4985=4, 2.9/4985=4 HE3 LYS 75 - QD2 LEU 57 OK 12 95 - 13 - 2.9/4985=2, 2.9/4985=2 HE2 LYS 75 - QD2 LEU 57 OK 12 93 - 13 - 2.9/4985=2, 2.9/4985=2 HE2 LYS 39 - QD2 LEU 57 lone 5 57 - 9 - 3.6/5325=3 Peak 4605 from cnoeabs.peaks (3.54, 0.71, 23.03 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.92: HD3 PRO 34 + QD2 LEU 57 OK 88 100 - 88 - 1.8/4603=34, 4.1/4612=25...(23) HD3 PRO 36 + QD2 LEU 57 OK 31 71 - 43 - 4.8/5576=8, 1.8/4606=8...(15) Peak 4606 from cnoeabs.peaks (3.89, 0.71, 23.03 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 33 + QD2 LEU 57 OK 95 100 - 95 - 3.2/4612=33, 3.8/4603=26...(35) HA LEU 51 + QD2 LEU 57 OK 44 100 - 44 - 3.6/4988=9, 5142/4989=8...(16) HD2 PRO 36 - QD2 LEU 57 OK 42 89 - 48 - 1.8/4605=11, 4.8/5576=9...(15) HB3 SER 22 - QD2 LEU 57 OK 11 100 - 11 - Peak 4607 from cnoeabs.peaks (3.81, 1.00, 27.02 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.90: HA LEU 52 + QD1 LEU 57 OK 89 100 - 89 - 4551=38, 3.9/4613=31...(19) HD2 PRO 14 + QD1 LEU 57 OK 11 71 - 16 - 2287/4613=3, 2280/5154=3...(6) Peak 4608 from cnoeabs.peaks (3.92, 1.00, 27.02 ppm; 4.14 A): 2 out of 6 assignments used, quality = 0.92: HA LEU 62 + QD1 LEU 57 OK 85 100 - 85 - 6069=46, 6070/2.1=13...(26) HA THR 37 + QD1 LEU 57 OK 49 96 - 51 - 4279=15, 3.0/5739=7...(16) HA2 GLY 18 - QD1 LEU 57 lone 8 100 - 8 - 4981/3.1=1 HA3 GLY 18 - QD1 LEU 57 lone 8 100 - 8 - 4981/3.1=1 HA3 GLY 21 - QD1 LEU 57 lone 4 65 - 7 - HA2 GLY 21 - QD1 LEU 57 lone 4 63 - 7 - Peak 4610 from cnoeabs.peaks (3.94, 1.47, 44.00 ppm; 5.65 A): 4 out of 11 assignments used, quality = 0.99: HA GLN 61 + HB3 LEU 57 OK 79 83 - 95 - 3.0/4601=23, 5757/4.2=22...(22) HA LEU 62 + HB3 LEU 57 OK 75 81 - 94 - 6069/3.1=34, 3.0/4619=23...(24) HA THR 37 + HB3 LEU 57 OK 64 98 - 65 - 4279/3.1=17, 3.0/4619=14...(13) HA ALA 28 + HB3 LEU 57 OK 57 95 - 60 - 4174/3.1=16, ~4178=12...(12) HA GLU 50 - HB3 LEU 57 OK 15 85 - 17 - 5757/4.2=5, 4503/3.1=3...(4) HA VAL 76 - HB3 LEU 57 OK 14 76 - 19 - 3.2/4599=3, 3.2/4599=3...(5) HA3 GLY 21 - HB3 LEU 57 OK 13 99 - 13 - 4981/1.8=2, ~4981=2...(4) HA2 GLY 21 - HB3 LEU 57 OK 13 99 - 13 - 4981/1.8=2, ~4981=2...(4) HA2 GLY 72 - HB3 LEU 57 OK 13 87 - 15 - 3.6/789=5, ~5842=1...(4) HA3 GLY 18 - HB3 LEU 57 OK 12 90 - 14 - 4981/1.8=2, ~4981=2...(5) HA2 GLY 18 - HB3 LEU 57 OK 12 89 - 14 - 4981/1.8=2, ~4981=2...(5) Peak 4611 from cnoeabs.peaks (1.22, 0.71, 23.03 ppm; 4.21 A): 4 out of 7 assignments used, quality = 1.00: HG13 ILE 33 + QD2 LEU 57 OK 96 100 - 96 - 3.2/4612=28, 1678=22...(36) QG2 VAL 65 + QD2 LEU 57 OK 81 99 - 83 - 4725=24, 2.1/4729=20...(21) QG1 VAL 65 + QD2 LEU 57 OK 77 96 - 80 - 4729=24, 2.1/4725=21...(18) HG LEU 52 + QD2 LEU 57 OK 63 71 - 90 - 2.1/5751=28, ~4613=26...(24) HG13 ILE 40 - QD2 LEU 57 OK 27 97 - 28 - 4320/5742=7, 2.9/5954=4...(9) HG2 ARG 69 - QD2 LEU 57 lone 7 83 - 8 - 1675/4612=1 QG2 THR 15 - QD2 LEU 57 lone 2 60 - 3 - Peak 4612 from cnoeabs.peaks (0.30, 0.71, 23.03 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 33 + QD2 LEU 57 OK 97 99 - 98 - 4614/2.1=28, 1664=23...(44) Peak 4613 from cnoeabs.peaks (0.50, 1.00, 27.02 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.80: QD2 LEU 52 + QD1 LEU 57 OK 80 93 - 86 - 4554=25, 5751/2.1=21...(25) Peak 4614 from cnoeabs.peaks (0.30, 1.00, 27.02 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 33 + QD1 LEU 57 OK 97 99 - 98 - 4612/2.1=46, 3.2/4221=29...(41) Peak 4615 from cnoeabs.peaks (6.83, 0.71, 23.03 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.98: HE22 GLN 61 + QD2 LEU 57 OK 92 100 - 92 - 4672=25, 1.7/4669=23...(30) QE TYR 55 + QD2 LEU 57 OK 72 90 - 80 - 2.2/4989=31, 5.6/6132=20...(20) Peak 4616 from cnoeabs.peaks (6.95, 0.71, 23.03 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.97: QE PHE 35 + QD2 LEU 57 OK 86 100 - 86 - 4579=24, 2.2/5742=22...(26) HZ PHE 35 + QD2 LEU 57 OK 79 100 - 79 - 2.2/4579=19, 4591/2.1=19...(22) HZ PHE 48 - QD2 LEU 57 OK 34 100 - 34 - 4591/2.1=8, 4618/5751=5...(9) HD22 ASN 42 - QD2 LEU 57 OK 12 97 - 12 - 4.4/4990=2, 4617/2.1=2, ~4906=1 Peak 4617 from cnoeabs.peaks (6.94, 1.00, 27.02 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.95: QE PHE 35 + QD1 LEU 57 OK 83 100 - 83 - 4577=19, 4579/2.1=18...(25) HZ PHE 35 + QD1 LEU 57 OK 72 100 - 72 - 4591=24, 2.2/4577=15...(19) HZ PHE 48 - QD1 LEU 57 OK 35 100 - 35 - 4591=10, 4618/4613=6...(11) HD22 ASN 42 - QD1 LEU 57 lone 8 99 - 8 - 4616/2.1=2 Peak 4618 from cnoeabs.peaks (8.83, 1.77, 44.00 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.98: H LEU 62 + HB2 LEU 57 OK 94 100 - 94 - 5368/4.2=34, 4619/1.8=25...(21) H THR 37 + HB2 LEU 57 OK 62 96 - 65 - 4619/1.8=15, 5739/3.1=13...(12) Peak 4619 from cnoeabs.peaks (8.83, 1.47, 44.00 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.98: H LEU 62 + HB3 LEU 57 OK 95 99 - 96 - 5368/4.2=35, 4618/1.8=25...(24) H THR 37 + HB3 LEU 57 OK 57 89 - 64 - 4618/1.8=17, 5738/3.1=13...(12) Peak 4623 from cnoeabs.peaks (7.67, 1.31, 21.61 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.90: H GLN 61 + QG2 THR 58 OK 86 99 - 86 - 4648/4.0=33, 4636/3.2=18...(15) H TYR 55 + QG2 THR 58 OK 30 93 - 32 - 4620/4.0=8, 214=6...(10) Peak 4626 from cnoeabs.peaks (2.09, 1.31, 21.61 ppm; 4.72 A): 4 out of 9 assignments used, quality = 0.94: HB3 GLU 59 + QG2 THR 58 OK 62 100 - 62 - 4.0/3892=32, 4.6/4643=12...(6) HB2 GLU 59 + QG2 THR 58 OK 62 100 - 62 - 4.0/3892=32, 4.6/4643=12...(6) HB3 MET 31 + QG2 THR 58 OK 49 81 - 62 - 3.0/4627=14, 3.0/5230=10...(13) HB3 PRO 44 + QG2 THR 58 OK 13 100 - 13 - 4628/3.2=3, 702/4.0=3...(4) HG2 PRO 36 - QG2 THR 58 lone 6 100 - 6 - HG3 PRO 36 - QG2 THR 58 lone 6 100 - 6 - HG3 PRO 56 - QG2 THR 58 lone 3 100 - 3 - HB2 PRO 56 - QG2 THR 58 lone 3 100 - 3 - HB VAL 45 - QG2 THR 58 lone 1 68 - 2 - Peak 4627 from cnoeabs.peaks (2.54, 1.31, 21.61 ppm; 4.58 A): 2 out of 4 assignments used, quality = 0.91: HB2 GLN 61 + QG2 THR 58 OK 76 97 - 78 - 4653/4.0=27, 3.0/5230=19...(12) HG3 MET 31 + QG2 THR 58 OK 62 96 - 65 - 1549/3.2=13, 4625/4.0=13...(15) HB2 ASP 24 - QG2 THR 58 lone 5 87 - 6 - 1.8/5230=2 HB3 ASP 46 - QG2 THR 58 lone 5 97 - 5 - 4625/4.0=2 Peak 4628 from cnoeabs.peaks (2.10, 4.43, 60.59 ppm; 4.41 A): 3 out of 9 assignments used, quality = 0.77: HB2 GLU 59 + HA THR 58 OK 48 95 - 51 - 4.0/3890=32, 3.0/4991=16...(4) HB3 GLU 59 + HA THR 58 OK 48 95 - 51 - 4.0/3890=32, 3.0/4991=16...(4) HB3 PRO 44 + HA THR 58 OK 13 93 - 14 - 3.0/4631=4, ~5753=3...(5) HG3 PRO 36 - HA THR 58 lone 3 98 - 3 - HG2 PRO 36 - HA THR 58 lone 3 97 - 4 - HG3 PRO 56 - HA THR 58 lone 2 93 - 2 - HB2 PRO 56 - HA THR 58 lone 2 90 - 2 - HB2 PRO 36 - HA THR 58 lone 2 83 - 2 - HB ILE 40 - HA THR 58 lone 1 85 - 1 - Peak 4631 from cnoeabs.peaks (4.03, 4.43, 60.59 ppm; 5.41 A): 2 out of 6 assignments used, quality = 0.89: HA GLU 59 + HA THR 58 OK 87 97 - 90 - 2.9/3890=49, 4991=34...(8) HD2 PRO 44 + HA THR 58 OK 21 100 - 21 - 700/3.6=8, ~5753=5...(4) HA ARG 54 - HA THR 58 poor 8 68 - 12 - 3.7/2473=3, ~227=2...(6) HA PHE 48 - HA THR 58 lone 8 100 - 7 - 4466/3.2=2, 700/3.6=2 HB2 SER 22 - HA THR 58 lone 7 76 - 8 - 4.4/39=1, ~2475=1 HA ALA 63 - HA THR 58 lone 5 63 - 8 - 700/3.6=3, ~228=2 Peak 4633 from cnoeabs.peaks (3.84, 1.31, 21.61 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.61: HB3 SER 60 + QG2 THR 58 OK 37 100 - 37 - 4.4/4623=22, 3.8/4643=17 HB2 SER 60 + QG2 THR 58 OK 37 100 - 37 - 4.4/4623=22, 3.8/4643=17 Peak 4634 from cnoeabs.peaks (5.46, 1.31, 21.61 ppm; 4.32 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4636 from cnoeabs.peaks (7.66, 4.43, 60.59 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.49: H GLN 61 + HA THR 58 OK 49 71 - 70 - 4648/3.0=33, ~5757=21...(8) Peak 4637 from cnoeabs.peaks (1.74, 4.04, 60.18 ppm; 3.70 A): 3 out of 16 assignments used, quality = 0.76: HB2 LEU 62 + HA GLU 59 OK 66 100 - 66 - 4678=20, 3.1/5364=15...(9) HB2 LEU 43 + HA GLU 59 OK 18 85 - 21 - 3.1/5364=4, 1.8/4377=3...(7) HB2 LEU 29 + HA GLU 59 OK 16 65 - 25 - 3.1/4639=6, 1.8/4638=5...(7) HB2 LEU 57 - HA GLU 59 lone 7 76 - 9 - ~234=3, 719/4645=2 HB2 ARG 54 - HA GLU 59 lone 4 78 - 5 - HG3 ARG 26 - HA GLU 59 lone 3 100 - 3 - HG3 ARG 71 - HA GLU 59 lone 2 99 - 2 - HB2 ARG 84 - HA GLU 59 lone 2 89 - 3 - HB2 LYS 32 - HA GLU 59 lone 2 57 - 4 - 4.0/6099=1 HB3 LYS 32 - HA GLU 59 lone 2 57 - 4 - 4.0/6099=1 HB3 ARG 17 - HA GLU 59 lone 2 100 - 2 - HB ILE 33 - HA GLU 59 lone 2 71 - 2 - HG2 PRO 34 - HA GLU 59 lone 1 90 - 1 - HB3 LYS 85 - HA GLU 59 lone 1 81 - 1 - HB3 ARG 82 - HA GLU 59 lone 1 78 - 1 - HB3 LYS 83 - HA GLU 59 lone 1 68 - 1 - Peak 4638 from cnoeabs.peaks (1.58, 4.04, 60.18 ppm; 3.79 A): 4 out of 16 assignments used, quality = 0.89: HB3 LEU 62 + HA GLU 59 OK 63 100 - 63 - 1.8/4637=19, 3.1/5364=15...(8) HG LEU 62 + HA GLU 59 OK 51 87 - 59 - 2.1/5364=19, 2.1/4639=17...(8) HB3 LEU 29 + HA GLU 59 OK 30 100 - 30 - 3.1/4639=7, 1.8/4637=5...(9) HB3 LEU 51 + HA GLU 59 OK 12 92 - 13 - 4523=2, 3.0/4639=2, ~235=1 HG LEU 86 - HA GLU 59 lone 9 93 - 9 - 2.1/4639=3 HB3 LEU 86 - HA GLU 59 lone 7 81 - 9 - 3.1/4639=3 HG3 ARG 54 - HA GLU 59 lone 6 99 - 6 - ~235=1 HD2 LYS 39 - HA GLU 59 lone 4 100 - 4 - HD3 LYS 39 - HA GLU 59 lone 4 100 - 4 - HD2 LYS 32 - HA GLU 59 lone 3 68 - 4 - HG2 ARG 84 - HA GLU 59 lone 2 98 - 2 - HG3 ARG 84 - HA GLU 59 lone 2 98 - 2 - HD3 LYS 32 - HA GLU 59 lone 2 63 - 4 - HG3 ARG 70 - HA GLU 59 lone 1 63 - 2 - HD3 LYS 73 - HA GLU 59 lone 1 68 - 1 - HD2 LYS 73 - HA GLU 59 lone 1 68 - 1 - Peak 4639 from cnoeabs.peaks (0.87, 4.04, 60.18 ppm; 3.67 A): 4 out of 8 assignments used, quality = 0.80: QD1 LEU 62 + HA GLU 59 OK 62 100 - 62 - 2.1/5364=18, 3.1/4637=14...(10) QD1 LEU 29 + HA GLU 59 OK 30 98 - 31 - 5365=5, 3.1/4638=4...(13) QD2 LEU 29 + HA GLU 59 OK 16 65 - 24 - 3.1/4638=4, 2.1/5365=4...(10) QD1 LEU 86 + HA GLU 59 OK 12 89 - 13 - 5365=2, 2.1/4638=1...(5) HG LEU 51 - HA GLU 59 poor 8 81 - 10 - 3.0/4638=2, 4640/2.9=1 QD2 LEU 64 - HA GLU 59 lone 3 65 - 5 - 4.4/262=2 QG2 VAL 90 - HA GLU 59 lone 1 63 - 2 - QG1 VAL 90 - HA GLU 59 lone 1 60 - 2 - Peak 4642 from cnoeabs.peaks (0.87, 2.40, 36.01 ppm; 5.55 A): 4 out of 16 assignments used, quality = 0.69: QD1 LEU 62 + HG2 GLU 59 OK 46 100 - 46 - 4639/4.2=19, 4640/4.9=11...(7) QD1 LEU 29 + HG2 GLU 59 OK 25 98 - 26 - 4639/4.2=9, 4640/4.9=5...(5) QD2 LEU 29 + HG2 GLU 59 OK 14 65 - 22 - 4639/4.2=5, 4640/4.9=5...(6) QD1 LEU 62 + HG2 GLU 50 OK 11 62 - 18 - 2.1/5001=4, 4.0/4998=3...(6) QD1 LEU 86 - HG2 GLU 59 poor 10 89 - 11 - 4639/4.2=4, 4640/4.9=2...(4) HG LEU 51 - HG2 GLU 50 poor 7 44 - 16 - ~4949=5, 5.2/4942=5, ~4950=3 HG LEU 51 - HG2 GLU 59 lone 7 81 - 8 - 4639/4.2=3, 4640/4.9=2 QD2 LEU 64 - HG2 GLU 59 lone 5 65 - 7 - 4.4/4698=1, 4639/4.2=1 QD1 LEU 29 - HG2 GLU 50 lone 5 59 - 8 - 5239=1 QD2 LEU 64 - HG2 GLU 50 poor 4 34 - 11 - 4.4/4698=4, 4504/3.7=3 QD1 LEU 86 - HG2 GLU 50 lone 3 50 - 6 - QD2 LEU 29 - HG2 GLU 50 lone 2 34 - 7 - 4504/3.7=1, 2.1/5239=1 QG2 VAL 90 - HG2 GLU 59 lone 2 63 - 3 - QG1 VAL 90 - HG2 GLU 59 lone 2 60 - 3 - QG2 VAL 90 - HG2 GLU 50 lone 1 32 - 4 - QG1 VAL 90 - HG2 GLU 50 lone 1 31 - 4 - Peak 4645 from cnoeabs.peaks (8.81, 4.04, 60.18 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.67: H LEU 62 + HA GLU 59 OK 61 97 - 63 - 4676=16, 4.0/4637=15...(8) H THR 37 + HA GLU 59 OK 17 100 - 17 - 2571/4637=3, 2592/5364=2...(7) Peak 4647 from cnoeabs.peaks (7.97, 4.28, 61.17 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.58: H ALA 63 + HA SER 60 OK 54 99 - 54 - 2.9/4995=24, 4690=14...(8) H ALA 30 + HA SER 60 OK 10 96 - 11 - 5759/3.6=5, 4.5/3898=2 H LYS 32 - HA SER 60 lone 5 57 - 9 - 4.7/4997=3, 89/3.6=2, 4.6/3898=2 H ARG 69 - HA SER 60 lone 5 96 - 5 - 5759/3.6=2 H LEU 29 - HA SER 60 lone 4 85 - 5 - H LYS 73 - HA SER 60 lone 4 68 - 6 - 5759/3.6=2, 4.9/4995=1 H GLY 72 - HA SER 60 lone 3 83 - 4 - 5759/3.6=2 H VAL 76 - HA SER 60 lone 3 97 - 3 - 5759/3.6=1 H ARG 70 - HA SER 60 lone 2 87 - 3 - Peak 4651 from cnoeabs.peaks (1.98, 3.84, 62.16 ppm; 3.99 A): 2 out of 18 assignments used, quality = 0.73: QE MET 31 + HB2 SER 60 OK 48 100 - 48 - 5078=21, 5078/1.8=20...(4) QE MET 31 + HB3 SER 60 OK 48 100 - 48 - 5078=21, 5078/1.8=20...(4) HB2 LEU 64 - HB3 SER 60 lone 9 95 - 10 - 4656/4.4=3, 3.0/2521=2 HB2 LEU 64 - HB2 SER 60 lone 9 95 - 10 - 4656/4.4=3, 3.0/2521=2 HG LEU 43 - HB3 SER 60 lone 2 100 - 2 - 4656/4.4=1 HG LEU 43 - HB2 SER 60 lone 2 100 - 2 - 4656/4.4=1 HB3 GLN 79 - HB3 SER 60 lone 2 97 - 2 - HB3 GLN 79 - HB2 SER 60 lone 2 97 - 2 - HG2 PRO 14 - HB2 SER 60 lone 1 100 - 1 - HG3 PRO 14 - HB3 SER 60 lone 1 100 - 1 - HG3 PRO 14 - HB2 SER 60 lone 1 100 - 1 - HG2 PRO 14 - HB3 SER 60 lone 1 100 - 1 - HG2 ARG 66 - HB3 SER 60 lone 1 68 - 2 - HG2 ARG 66 - HB2 SER 60 lone 1 68 - 2 - HB3 MET 11 - HB2 SER 60 lone 1 78 - 1 - HB3 MET 11 - HB3 SER 60 lone 1 78 - 1 - HB2 GLN 79 - HB2 SER 60 lone 1 87 - 1 - HB2 GLN 79 - HB3 SER 60 lone 1 87 - 1 - Peak 4652 from cnoeabs.peaks (9.04, 2.60, 34.98 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.82: H THR 58 + HG2 GLN 61 OK 82 87 - 95 - 4654/3.0=42, 4653/3.0=42...(14) Peak 4653 from cnoeabs.peaks (9.05, 2.53, 30.35 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.93: H THR 58 + HB2 GLN 61 OK 93 99 - 94 - 4654/1.8=34, 4625=26...(17) Peak 4654 from cnoeabs.peaks (9.04, 1.66, 30.35 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.90: H THR 58 + HB3 GLN 61 OK 90 96 - 94 - 4653/1.8=43, 4624=30...(15) Peak 4660 from cnoeabs.peaks (1.23, 3.96, 59.26 ppm; 6.19 A): 3 out of 10 assignments used, quality = 0.98: HG13 ILE 33 + HA GLN 61 OK 89 99 - 89 - ~4225=20, ~4663=19...(18) QG1 VAL 65 + HA GLN 61 OK 62 99 - 62 - 4.0/5758=15, 4723/4.7=14...(13) QG2 VAL 65 + HA GLN 61 OK 60 95 - 64 - 4722/4.7=16, 4.0/5758=15...(14) HG2 ARG 69 - HA GLU 50 OK 43 86 - 50 - ~4501=7, 3.0/4766=6...(18) QG1 VAL 65 - HA GLU 50 OK 28 95 - 30 - 4.0/5758=7, 2.1/2183=3...(7) HG13 ILE 40 - HA GLN 61 OK 27 99 - 27 - 4897/4.7=4, 4.6/4509=3...(9) QG2 VAL 65 - HA GLU 50 OK 26 89 - 29 - 4.0/5758=7, 2.1/2183=3...(8) HG2 ARG 69 - HA GLN 61 OK 22 92 - 23 - 5773/3.0=2, 3.0/4766=2...(9) HG13 ILE 33 - HA GLU 50 OK 20 95 - 21 - 2.1/4503=5, ~5550=3...(5) HG13 ILE 40 - HA GLU 50 OK 19 95 - 20 - 4.6/4509=6, 3.2/4505=2 Peak 4661 from cnoeabs.peaks (1.46, 2.53, 30.35 ppm; 4.59 A): 3 out of 10 assignments used, quality = 0.99: HB3 LEU 57 + HB2 GLN 61 OK 92 99 - 94 - 4.2/4653=27, 4601=25...(24) HG12 ILE 33 + HB2 GLN 61 OK 74 90 - 82 - 2.1/4225=21, ~4663=15...(21) QB ALA 30 + HB2 GLN 61 OK 47 92 - 51 - 5305=16, 3.6/559=13...(10) HB3 LEU 52 - HB2 GLN 61 OK 27 95 - 28 - 5235/4.6=4, 6098/5771=4...(12) HG3 LYS 13 - HB2 GLN 61 OK 22 100 - 22 - 2.9/2535=4, 2.9/2535=4...(6) HB3 LEU 43 - HB2 GLN 61 OK 19 76 - 25 - ~4381=5, 4380/3.0=4...(10) QB ALA 63 - HB2 GLN 61 OK 15 68 - 22 - 5787/4.6=11, 4657/4.0=6 HG2 LYS 73 - HB2 GLN 61 lone 8 87 - 9 - 4657/4.0=1, 5235/4.6=1 HG13 ILE 89 - HB2 GLN 61 lone 6 81 - 8 - 1671/4225=2 HG3 LYS 85 - HB2 GLN 61 lone 3 99 - 3 - Peak 4662 from cnoeabs.peaks (0.70, 2.53, 30.35 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 57 + HB2 GLN 61 OK 90 97 - 92 - 4663/1.8=22, 4.8/4653=19...(24) QD1 ILE 33 + HB2 GLN 61 OK 87 99 - 87 - 4225=24, 4663/1.8=20...(27) Peak 4663 from cnoeabs.peaks (0.70, 1.66, 30.35 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 57 + HB3 GLN 61 OK 86 97 - 89 - 4985=21, 4662/1.8=17...(24) QD1 ILE 33 + HB3 GLN 61 OK 78 99 - 78 - 4225/1.8=18, 4224/3.0=13...(22) Peak 4664 from cnoeabs.peaks (1.30, 2.60, 34.98 ppm; 5.40 A): 3 out of 5 assignments used, quality = 0.95: QG2 THR 58 + HG2 GLN 61 OK 83 96 - 87 - 4.0/4652=28, 5230=27...(11) HB2 LEU 51 + HG2 GLN 61 OK 52 81 - 65 - 4668/3.5=8, 4671/3.5=8...(18) HG2 ARG 54 + HG2 GLN 61 OK 41 99 - 41 - 4.8/2548=7, 5705/5.0=7...(14) HG2 LYS 32 - HG2 GLN 61 OK 35 89 - 40 - ~6065=6, 4668/3.5=4...(14) HG3 LYS 32 - HG2 GLN 61 OK 27 63 - 43 - ~6065=6, 4668/3.5=5...(15) Peak 4665 from cnoeabs.peaks (0.70, 2.60, 34.98 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 57 + HG2 GLN 61 OK 90 97 - 92 - 4666/1.8=20, 4663/3.0=20...(26) QD1 ILE 33 + HG2 GLN 61 OK 87 99 - 87 - 5322=24, 4224/1.8=21...(21) Peak 4666 from cnoeabs.peaks (0.69, 2.16, 34.98 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.96: QD1 ILE 33 + HG3 GLN 61 OK 80 96 - 83 - 4224=20, 5322/1.8=20...(19) QD2 LEU 57 + HG3 GLN 61 OK 79 90 - 87 - 5955/1.8=19, 4663/3.0=18...(21) Peak 4674 from cnoeabs.peaks (8.38, 3.92, 57.93 ppm; 4.27 A): 4 out of 5 assignments used, quality = 0.79: H VAL 65 + HA LEU 62 OK 66 98 - 67 - 3.8/4998=18, 4.6/4675=17...(12) H ARG 17 + HA LEU 62 OK 17 100 - 17 - 5779/3.6=5, 486/3.0=2...(6) H GLY 21 + HA LEU 62 OK 17 96 - 18 - 5779/3.6=4, 5758/4.7=2...(6) H GLY 18 + HA LEU 62 OK 11 65 - 17 - 5779/3.6=4, 4823=2...(7) H ALA 16 - HA LEU 62 lone 3 83 - 3 - Peak 4675 from cnoeabs.peaks (8.60, 3.92, 57.93 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.55: H ARG 66 + HA LEU 62 OK 55 97 - 57 - 4.4/4998=20, 4.6/4674=16...(8) H VAL 45 - HA LEU 62 lone 5 76 - 6 - 4.0/6069=3, 630/6069=2 Peak 4677 from cnoeabs.peaks (4.06, 3.92, 57.93 ppm; 4.19 A): 5 out of 6 assignments used, quality = 0.93: HA ALA 63 + HA LEU 62 OK 67 100 - 67 - 4676/3.0=12, ~5787=12...(18) HA GLU 59 + HA LEU 62 OK 61 93 - 65 - 4645/3.0=22, 4637/3.0=16...(8) HA ARG 26 + HA LEU 62 OK 22 97 - 23 - 4676/3.0=3, 4678/3.0=3...(10) HA ARG 71 + HA LEU 62 OK 17 89 - 19 - 725/3.6=3, 4676/3.0=3...(10) HD2 PRO 44 + HA LEU 62 OK 13 81 - 16 - 4678/3.0=3, 4679/4.0=3...(7) HA VAL 90 - HA LEU 62 lone 8 89 - 9 - 725/3.6=2, 4676/3.0=1 Peak 4678 from cnoeabs.peaks (4.04, 1.75, 41.88 ppm; 3.70 A): 5 out of 5 assignments used, quality = 0.91: HA GLU 59 + HB2 LEU 62 OK 68 100 - 68 - 4637=25, 5364/3.1=15...(9) HA ALA 63 + HB2 LEU 62 OK 48 87 - 55 - 3.0/3907=13, 4677/3.0=7...(19) HD2 PRO 44 + HB2 LEU 62 OK 19 99 - 19 - 4679/3.1=3, 5366/1.8=2...(8) HA ARG 26 + HB2 LEU 62 OK 18 71 - 25 - ~5962=3, 3.0/530=2...(12) HA PHE 48 + HB2 LEU 62 OK 15 92 - 17 - 4679/3.1=3, 4464/1.8=3...(6) Peak 4679 from cnoeabs.peaks (4.04, 0.93, 24.73 ppm; 4.49 A): 4 out of 5 assignments used, quality = 0.96: HA GLU 59 + QD2 LEU 62 OK 77 100 - 78 - 5364=29, 4639/2.1=21...(10) HA ALA 63 + QD2 LEU 62 OK 58 83 - 70 - 2.1/5005=12, 4678/3.1=11...(21) HD2 PRO 44 + QD2 LEU 62 OK 37 100 - 37 - 4401=6, 1.8/4404=5...(15) HA PHE 48 + QD2 LEU 62 OK 33 95 - 35 - 4467=6, 4678/3.1=3...(11) HA ARG 26 - QD2 LEU 62 OK 24 65 - 37 - 3.0/5962=7, ~5516=4...(13) Peak 4680 from cnoeabs.peaks (0.45, 0.93, 24.73 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.80: QD1 LEU 52 + QD2 LEU 62 OK 80 100 - 80 - 2.1/5237=34, 4553=18...(22) Peak 4681 from cnoeabs.peaks (0.83, 1.49, 17.50 ppm; 4.91 A): 4 out of 7 assignments used, quality = 0.95: QD2 LEU 29 + QB ALA 63 OK 72 95 - 76 - ~5348=9, 2.1/5008=9...(27) QD2 LEU 64 + QB ALA 63 OK 57 95 - 61 - 4.4/3913=24, 3.9/4689=14...(14) QD1 LEU 43 + QB ALA 63 OK 35 100 - 35 - 5357/4.9=10, 732/3.6=8...(11) QD2 LEU 86 + QB ALA 63 OK 29 100 - 29 - ~260=4, 732/3.6=4...(12) QG2 ILE 68 - QB ALA 63 OK 24 76 - 31 - 3.2/5009=4, ~4684=3...(13) QG2 ILE 89 - QB ALA 63 lone 8 97 - 8 - 732/3.6=2, 2617/4.9=2 QD1 ILE 89 - QB ALA 63 lone 3 81 - 3 - Peak 4682 from cnoeabs.peaks (0.93, 1.49, 17.50 ppm; 6.11 A): 3 out of 10 assignments used, quality = 0.97: QD2 LEU 62 + QB ALA 63 OK 89 100 - 89 - 4.8/5787=26, 5005=15...(27) QD1 LEU 64 + QB ALA 63 OK 48 65 - 74 - 4.4/3913=32, 3.9/4689=18...(13) QG2 VAL 41 + QB ALA 63 OK 45 99 - 45 - 2.1/4904=12, 4337/4.9=8...(11) HG12 ILE 68 - QB ALA 63 OK 41 99 - 42 - 259/2.9=6, ~4684=6...(13) QD2 LEU 43 - QB ALA 63 OK 38 89 - 43 - 733/3.6=8, 2.1/4681=7...(13) QG2 ILE 40 - QB ALA 63 OK 27 100 - 27 - 4326/2.9=5, 5212/4.9=5...(9) QG2 VAL 76 - QB ALA 63 OK 17 99 - 17 - 259/2.9=3, ~259=2...(4) QG1 VAL 76 - QB ALA 63 OK 17 99 - 17 - 259/2.9=3, ~259=2...(4) QG1 VAL 90 - QB ALA 63 OK 12 63 - 19 - ~5370=3, ~3645=3...(7) QG2 VAL 90 - QB ALA 63 OK 11 60 - 19 - ~5370=3, ~3645=3...(7) Peak 4683 from cnoeabs.peaks (1.70, 4.06, 55.02 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.98: HB2 LEU 29 + HA ALA 63 OK 74 95 - 79 - 5348=16, 3764/3.0=11...(30) HG3 ARG 66 + HA ALA 63 OK 72 99 - 73 - 4.9/4691=24, 1.8/5370=17...(12) HB3 LEU 64 + HA ALA 63 OK 66 99 - 67 - 2626/3.6=24, 4.4/5796=14...(14) HG LEU 29 - HA ALA 63 OK 44 60 - 73 - 3.0/5348=14, 2.1/5349=8...(24) HG2 ARG 70 - HA ALA 63 OK 36 100 - 36 - 2.9/4684=5, 2.9/4684=5...(14) HB2 LEU 43 - HA ALA 63 OK 21 81 - 26 - 4376=4, 730/3.6=4...(8) HB2 ARG 82 - HA ALA 63 lone 7 98 - 7 - 730/3.6=2 HB2 ARG 84 - HA ALA 63 lone 5 76 - 6 - HB3 LYS 13 - HA ALA 63 lone 4 78 - 5 - HB3 LYS 83 - HA ALA 63 lone 3 93 - 3 - HB3 LYS 85 - HA ALA 63 lone 3 85 - 4 - Peak 4684 from cnoeabs.peaks (1.93, 4.06, 55.02 ppm; 3.98 A): 6 out of 10 assignments used, quality = 0.83: HB3 ARG 66 + HA ALA 63 OK 57 93 - 61 - 4.0/4691=20, 2.8/5370=10...(11) HG13 ILE 68 + HA ALA 63 OK 21 100 - 21 - 5009/2.1=3, 2.9/5369=2...(12) HB2 ARG 70 + HA ALA 63 OK 19 65 - 29 - 5372=4, 1.8/5372=3...(11) HB3 ARG 70 + HA ALA 63 OK 19 65 - 29 - 5372=4, 1.8/5372=3...(11) HB VAL 41 + HA ALA 63 OK 16 100 - 16 - ~4904=5, 5009/2.1=3...(6) HB2 MET 31 + HA ALA 63 OK 12 99 - 12 - 5932/3.6=4, 4.3/5370=2 HG LEU 57 - HA ALA 63 poor 9 65 - 14 - 3.0/2608=3, 5009/2.1=2...(6) HG12 ILE 40 - HA ALA 63 lone 4 76 - 6 - ~4326=1, ~259=1, ~4901=1 HB2 GLU 19 - HA ALA 63 lone 2 87 - 2 - HB3 GLU 87 - HA ALA 63 lone 1 83 - 1 - Peak 4686 from cnoeabs.peaks (3.17, 4.06, 55.02 ppm; 4.48 A): 5 out of 14 assignments used, quality = 0.83: HD3 ARG 66 + HA ALA 63 OK 48 89 - 54 - 6.2/4691=15, 3.0/5370=13...(9) HD2 ARG 66 + HA ALA 63 OK 46 85 - 54 - 6.2/4691=15, 3.0/5370=13...(9) HD2 ARG 26 + HA ALA 63 OK 16 100 - 16 - 3.5/5369=3, 3.5/5369=3...(5) HD3 ARG 26 + HA ALA 63 OK 16 100 - 16 - 3.5/5369=3, 3.5/5369=3...(5) HD2 ARG 71 + HA ALA 63 OK 11 57 - 19 - 3.0/2929=3, 3.5/5369=3...(6) HD3 ARG 17 - HA ALA 63 lone 6 97 - 6 - 5.6/5783=3 HD2 ARG 17 - HA ALA 63 lone 6 97 - 6 - 5.6/5783=3 HD3 ARG 27 - HA ALA 63 lone 6 100 - 6 - HD2 ARG 27 - HA ALA 63 lone 6 100 - 6 - HD2 ARG 23 - HA ALA 63 lone 4 100 - 4 - HD3 ARG 23 - HA ALA 63 lone 4 100 - 4 - HD3 ARG 84 - HA ALA 63 lone 3 81 - 3 - HD2 ARG 84 - HA ALA 63 lone 3 76 - 3 - HD2 ARG 82 - HA ALA 63 lone 1 78 - 2 - Peak 4688 from cnoeabs.peaks (3.82, 1.49, 17.50 ppm; 5.05 A): 3 out of 3 assignments used, quality = 0.89: HB3 SER 60 + QB ALA 63 OK 56 89 - 63 - 3.0/4995=30, 5756=14...(7) HB2 SER 60 + QB ALA 63 OK 56 89 - 63 - 3.0/4995=30, 5756=14...(7) HA LEU 52 + QB ALA 63 OK 44 85 - 51 - 3.0/3913=11, 2251/3.6=9...(14) Peak 4689 from cnoeabs.peaks (4.28, 1.49, 17.50 ppm; 3.40 A): 3 out of 10 assignments used, quality = 0.80: HA LEU 64 + QB ALA 63 OK 53 81 - 65 - 4.9=33, 3.0/3913=18...(14) HA SER 60 + QB ALA 63 OK 52 100 - 52 - 4995=32, 4647/2.9=12...(8) HA ARG 17 + QB ALA 63 OK 13 100 - 13 - 4690/2.9=2, 3.0/5785=2...(6) HA ASP 38 - QB ALA 63 lone 8 100 - 8 - 3802/3.6=2, 4690/2.9=1 HA ALA 20 - QB ALA 63 lone 5 83 - 6 - 3.6/5785=2, 4690/2.9=1 HA LEU 86 - QB ALA 63 lone 5 81 - 6 - 4.0/4681=2 HA ALA 16 - QB ALA 63 lone 2 60 - 3 - 3.6/5785=2 HA GLU 19 - QB ALA 63 lone 2 73 - 2 - HA THR 88 - QB ALA 63 lone 1 100 - 1 - HA ALA 12 - QB ALA 63 lone 1 76 - 1 - Peak 4691 from cnoeabs.peaks (8.57, 4.06, 55.02 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.67: H ARG 66 + HA ALA 63 OK 67 87 - 78 - 5786/2.1=27, 5018/3.6=23...(13) Peak 4693 from cnoeabs.peaks (7.93, 4.26, 57.87 ppm; 4.20 A): 5 out of 6 assignments used, quality = 0.92: H ASP 67 + HA LEU 64 OK 78 100 - 78 - 4737=23, 3.9/5287=23...(12) H LEU 29 + HA LEU 64 OK 28 87 - 32 - 550/3.9=5, 548/3.0=5...(12) H ARG 70 + HA LEU 64 OK 27 85 - 31 - 4709/3.6=4, 770/3.0=3...(13) H LYS 32 + HA LEU 64 OK 18 99 - 18 - 5014/3.9=4, 4.9/5240=4 H VAL 76 + HA LEU 64 OK 12 68 - 17 - 339=2, ~6044=2...(8) H ILE 33 - HA LEU 64 lone 4 63 - 6 - 5559/3.9=3 Peak 4694 from cnoeabs.peaks (7.51, 4.26, 57.87 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.65: H LEU 43 + HA LEU 64 OK 57 92 - 62 - 4371=11, 4.8/2618=10...(16) H LEU 51 + HA LEU 64 OK 18 68 - 26 - 4.6/2612=8, 924/3.0=8...(6) H ARG 54 - HA LEU 64 poor 9 71 - 12 - 4.1/2616=2, 193/2612=1 Peak 4695 from cnoeabs.peaks (3.96, 1.97, 41.01 ppm; 4.41 A): 5 out of 10 assignments used, quality = 0.97: HA ALA 28 + HB2 LEU 64 OK 57 100 - 58 - 4173/3.1=11, ~5162=8...(17) HA GLN 61 + HB2 LEU 64 OK 56 100 - 56 - 5232=8, 4941/4.0=8...(18) HA ARG 66 + HB2 LEU 64 OK 49 92 - 54 - ~5789=13, 2679/1.8=8...(17) HA2 GLY 21 + HB2 LEU 64 OK 47 97 - 48 - 2.9/3915=7, ~3916=5...(17) HA3 GLY 21 + HB2 LEU 64 OK 46 97 - 48 - 2.9/3915=7, ~3916=5...(17) HA VAL 76 - HB2 LEU 64 OK 28 99 - 28 - 6044=6, 3.0/5016=3...(11) HA GLU 50 - HB2 LEU 64 OK 23 100 - 23 - 4941/4.0=5, 5758/4.4=4...(6) HA LYS 32 - HB2 LEU 64 OK 17 92 - 19 - ~5014=3, 4384/3.1=2...(8) HA2 GLY 72 - HB2 LEU 64 OK 14 100 - 14 - 3.0/5842=3, 5794/3.1=1...(5) HA THR 37 - HB2 LEU 64 poor 9 68 - 13 - 5603/4.0=3, 4720/4.4=2...(4) Peak 4696 from cnoeabs.peaks (3.96, 1.70, 41.01 ppm; 4.70 A): 5 out of 12 assignments used, quality = 0.98: HA ALA 28 + HB3 LEU 64 OK 61 100 - 61 - 4173/3.1=12, ~5162=10...(16) HA2 GLY 21 + HB3 LEU 64 OK 52 100 - 52 - 2.9/3916=8, ~3915=6...(17) HA3 GLY 21 + HB3 LEU 64 OK 52 100 - 52 - 2.9/3916=8, ~3915=6...(17) HA ARG 66 + HB3 LEU 64 OK 51 81 - 63 - ~5789=15, 3.0/744=10...(17) HA GLN 61 + HB3 LEU 64 OK 51 98 - 52 - 5758/4.4=9, 4941/4.0=9...(12) HA VAL 76 - HB3 LEU 64 OK 26 96 - 27 - 6044/1.8=6, 4384/3.1=3...(11) HA GLU 50 - HB3 LEU 64 OK 22 99 - 22 - 4941/4.0=6, 5758/4.4=4...(5) HA LYS 32 - HB3 LEU 64 OK 16 81 - 20 - ~5014=4, 4384/3.1=3...(8) HA3 GLY 18 - HB3 LEU 64 OK 15 65 - 23 - 3.0/3916=4, ~3915=3...(10) HA2 GLY 72 - HB3 LEU 64 OK 15 99 - 15 - ~5842=3, 4695/1.8=2...(6) HA2 GLY 18 - HB3 LEU 64 OK 14 63 - 23 - 3.0/3916=4, ~3915=3...(10) HA THR 37 - HB3 LEU 64 OK 12 83 - 15 - 5603/4.0=4, 4720/4.4=2...(5) Peak 4700 from cnoeabs.peaks (1.22, 1.97, 41.01 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 65 + HB2 LEU 64 OK 79 97 - 81 - 2669/4.4=23, 4715/4.0=21...(20) QG1 VAL 65 + HB2 LEU 64 OK 77 97 - 79 - 2664/4.4=21, 5799/4.0=12...(22) HG13 ILE 33 + HB2 LEU 64 OK 67 100 - 67 - 2.1/5025=18, ~5026=14...(15) HG13 ILE 40 - HB2 LEU 64 OK 40 98 - 41 - 737/4.4=6, 5791/1.8=5...(16) HG LEU 52 - HB2 LEU 64 OK 34 65 - 52 - 4552/3.1=8, 2272/4.0=8...(15) HG2 ARG 69 - HB2 LEU 64 OK 12 87 - 14 - 737/4.4=3, 5791/1.8=2...(5) Peak 4703 from cnoeabs.peaks (3.65, 0.83, 26.57 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.95: HA ILE 40 + QD1 LEU 43 OK 66 96 - 69 - 4296=10, 5125/2.1=10...(21) HD3 PRO 44 + QD1 LEU 43 OK 60 73 - 81 - 4388/2.1=21, 4378/3.1=17...(20) HA VAL 65 + QD1 LEU 43 OK 42 93 - 45 - 3.0/269=8, 4388/2.1=6...(15) HD3 PRO 14 + QD1 LEU 43 OK 36 63 - 58 - 3.8/2031=10, 4372/4.8=7...(23) HA ARG 69 - QD1 LEU 43 OK 18 90 - 20 - 3.6/5831=2, 2.9/291=2...(7) Peak 4704 from cnoeabs.peaks (1.90, 3.63, 67.03 ppm; 3.65 A): 3 out of 12 assignments used, quality = 0.95: HG12 ILE 40 + HA VAL 65 OK 74 99 - 75 - 2.1/5033=24, 1944=9...(27) HB ILE 68 + HA VAL 65 OK 67 100 - 67 - 3.9/5313=13, 2.1/4706=12...(20) HG13 ILE 68 + HA VAL 65 OK 43 71 - 61 - 2.1/4706=14, 4.5/5313=11...(18) HB2 MET 11 - HA VAL 65 OK 33 93 - 35 - 3.0/2656=8, 967/3.0=5...(15) HB3 PRO 14 - HA VAL 65 OK 23 96 - 23 - 1113=5, 1.8/1106=3...(9) HB2 ARG 66 - HA VAL 65 OK 22 76 - 29 - 741/3.6=6, 4.6/5807=4...(11) HB3 PRO 34 - HA VAL 65 poor 8 71 - 11 - 2.3/5033=5, ~5035=2, 1718/5033=1 HB3 ARG 26 - HA VAL 65 lone 5 87 - 6 - 2682/3.6=2 HB2 ARG 26 - HA VAL 65 lone 5 85 - 6 - 2682/3.6=2 HB2 GLU 19 - HA VAL 65 lone 4 97 - 4 - 4.6/5313=2 HB3 GLU 87 - HA VAL 65 lone 4 98 - 4 - 4.0/5313=2 HB2 GLN 91 - HA VAL 65 lone 1 100 - 1 - Peak 4705 from cnoeabs.peaks (0.93, 3.63, 67.03 ppm; 3.99 A): 5 out of 8 assignments used, quality = 0.99: QG2 ILE 40 + HA VAL 65 OK 83 100 - 83 - 3.0/5033=24, 1937=13...(36) HG12 ILE 68 + HA VAL 65 OK 64 95 - 68 - 2.1/4706=16, 4.5/5313=14...(18) QD1 LEU 64 + HA VAL 65 OK 53 81 - 66 - 2.1/5032=10, 3919/3.0=8...(22) QD2 LEU 62 + HA VAL 65 OK 52 100 - 52 - 5001/3.0=10, 5002/3.2=8...(14) QG2 VAL 41 + HA VAL 65 OK 49 100 - 49 - 5130=10, 2.1/4706=9...(18) QD2 LEU 43 - HA VAL 65 OK 42 97 - 44 - 2.1/4703=6, 270/3.0=5...(18) QG2 VAL 76 - HA VAL 65 OK 11 95 - 12 - 3.9/4710=2, 4732/3.6=1 QG1 VAL 76 - HA VAL 65 OK 11 95 - 12 - 3.9/4710=2, 4732/3.6=1 Peak 4706 from cnoeabs.peaks (0.79, 3.63, 67.03 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.86: QD1 ILE 68 + HA VAL 65 OK 59 98 - 60 - 4761=11, 5.0/5313=10...(18) QG2 ILE 68 + HA VAL 65 OK 51 85 - 60 - 4.0/5313=13, 4751=9...(19) QG1 VAL 41 + HA VAL 65 OK 31 99 - 32 - 2.1/5130=7, 4.0/138=4...(10) QD1 ILE 89 - HA VAL 65 lone 5 81 - 6 - Peak 4707 from cnoeabs.peaks (1.00, 2.39, 31.50 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.76: QD1 LEU 57 + HB VAL 65 OK 73 100 - 73 - 5956=22, ~4725=17...(14) QD1 LEU 57 + HG3 MET 11 OK 14 100 - 14 - 5956=5, 4613/5963=3...(4) QG1 VAL 45 - HB VAL 65 lone 5 97 - 5 - 4554/5963=1, 4591/4689=1 QG1 VAL 45 - HG3 MET 11 lone 2 97 - 2 - Peak 4708 from cnoeabs.peaks (0.91, 2.39, 31.50 ppm; 4.45 A): 4 out of 20 assignments used, quality = 0.93: QG2 ILE 40 + HB VAL 65 OK 58 71 - 82 - 3.0/4304=16, ~5035=14...(26) HG12 ILE 68 + HB VAL 65 OK 57 90 - 63 - ~4706=9, ~5964=8...(17) QD2 LEU 62 + HB VAL 65 OK 45 71 - 64 - 4.0/4998=19, 5001=10...(15) HG LEU 51 + HB VAL 65 OK 31 95 - 33 - ~6104=18, ~5680=5...(6) QG1 VAL 90 - HG3 MET 11 OK 11 100 - 11 - 2.1/972=2, ~971=2...(4) QG2 VAL 90 - HG3 MET 11 OK 11 99 - 11 - 2.1/972=2, ~971=2...(4) QD2 LEU 62 - HG3 MET 11 OK 11 71 - 15 - 4.0/4998=5, 5001=2...(5) QG2 ILE 40 - HG3 MET 11 OK 11 71 - 15 - 3.0/4304=4, 3.2/2660=1 QD1 LEU 29 - HB VAL 65 poor 9 71 - 13 - ~6105=2, ~5965=2...(7) QD1 LEU 86 - HB VAL 65 lone 9 89 - 10 - ~5965=1, ~5964=1, ~5032=1 QG1 VAL 76 - HB VAL 65 lone 8 90 - 8 - 4732/4.4=1, 5034/2.1=1...(4) QG2 VAL 76 - HB VAL 65 lone 8 90 - 8 - 4732/4.4=1, 5034/2.1=1...(4) HG12 ILE 68 - HG3 MET 11 lone 6 90 - 7 - QG1 VAL 90 - HB VAL 65 lone 4 100 - 4 - 4732/4.4=1 QG2 VAL 90 - HB VAL 65 lone 4 99 - 4 - 4732/4.4=1 HG LEU 51 - HG3 MET 11 lone 4 94 - 4 - QD1 LEU 86 - HG3 MET 11 lone 2 88 - 2 - QG2 VAL 76 - HG3 MET 11 lone 2 90 - 2 - QG1 VAL 76 - HG3 MET 11 lone 2 90 - 2 - QD1 LEU 29 - HG3 MET 11 lone 2 71 - 2 - Peak 4710 from cnoeabs.peaks (7.97, 3.63, 67.03 ppm; 4.73 A): 3 out of 9 assignments used, quality = 0.92: H ARG 69 + HA VAL 65 OK 73 95 - 77 - 4.7/5313=19, 4.1/4706=12...(26) H ARG 70 + HA VAL 65 OK 49 89 - 55 - 296=11, 5829/3.2=8...(12) H ALA 63 + HA VAL 65 OK 44 99 - 45 - 5779/3.0=15, ~5796=10...(6) H GLY 72 - HA VAL 65 OK 20 81 - 25 - 5492=7, 4.7/5837=4...(7) H VAL 76 - HA VAL 65 OK 19 97 - 20 - 4709/3.0=3, 5797/3.2=2...(5) H LEU 29 - HA VAL 65 OK 14 87 - 16 - 4709/3.0=5, 5797/3.2=2...(4) H ALA 30 - HA VAL 65 OK 10 95 - 11 - 4709/3.0=1, 5797/3.2=1 H LYS 73 - HA VAL 65 poor 9 65 - 14 - 4.5/5492=4, 939/5313=1 H LYS 32 - HA VAL 65 poor 8 60 - 13 - ~5244=2, 4709/3.0=2...(5) Peak 4713 from cnoeabs.peaks (6.95, 2.39, 31.50 ppm; 4.89 A): 3 out of 8 assignments used, quality = 0.98: HZ PHE 48 + HB VAL 65 OK 81 99 - 82 - ~4718=34, ~4716=25...(11) QE PHE 35 + HB VAL 65 OK 76 97 - 78 - ~5031=25, 4717/2.1=18...(14) HZ PHE 35 + HB VAL 65 OK 64 98 - 66 - 4689=16, 4719/2.1=13...(10) QE PHE 35 - HG3 MET 11 OK 15 97 - 16 - 4581/5963=3, 2.2/4689=3...(5) HZ PHE 48 - HG3 MET 11 OK 14 99 - 14 - 4689=3, 4719/2666=2...(4) HZ PHE 35 - HG3 MET 11 OK 14 98 - 14 - 4689=3, 4594/5963=2...(5) HD22 ASN 42 - HB VAL 65 poor 9 89 - 10 - 4719/2.1=2, 4717/2.1=2 HD22 ASN 42 - HG3 MET 11 lone 3 88 - 3 - Peak 4714 from cnoeabs.peaks (7.94, 1.21, 23.08 ppm; 5.17 A): 5 out of 5 assignments used, quality = 0.95: H ASP 67 + QG2 VAL 65 OK 67 93 - 72 - 276/4.1=36, 3.6/5244=15...(10) H ARG 70 + QG2 VAL 65 OK 60 99 - 61 - 5829/2.1=13, 2.9/5244=10...(16) H LEU 29 + QG2 VAL 65 OK 31 99 - 31 - 3.6/4172=6, 4709/4.0=5...(9) H LYS 32 + QG2 VAL 65 OK 29 100 - 30 - 4.6/575=7, 3.0/5244=5...(7) H VAL 76 + QG2 VAL 65 OK 15 92 - 16 - 4709/4.0=3, 3.0/5244=2...(4) Peak 4715 from cnoeabs.peaks (7.39, 1.21, 23.08 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.61: H LEU 64 + QG2 VAL 65 OK 54 73 - 74 - 4.6/2669=23, 5018/4.1=20...(11) H LYS 39 + QG2 VAL 65 OK 15 100 - 15 - 4.6/606=4, 264/4.0=3...(5) Peak 4716 from cnoeabs.peaks (7.14, 1.21, 23.08 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.74: QE PHE 48 + QG2 VAL 65 OK 74 89 - 84 - 4540/4726=18...(24) Peak 4717 from cnoeabs.peaks (6.95, 1.21, 23.08 ppm; 3.45 A): 3 out of 4 assignments used, quality = 0.92: QE PHE 35 + QG2 VAL 65 OK 65 100 - 65 - ~5031=12, 4576=11...(23) HZ PHE 48 + QG2 VAL 65 OK 58 100 - 58 - ~4718=17, 2.2/4716=15...(12) HZ PHE 35 + QG2 VAL 65 OK 48 100 - 48 - 2.2/4576=8, 4594/4726=6...(15) HD22 ASN 42 - QG2 VAL 65 lone 7 97 - 7 - Peak 4718 from cnoeabs.peaks (7.14, 1.23, 22.65 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.67: QE PHE 48 + QG1 VAL 65 OK 67 96 - 70 - 2.2/4719=14...(27) Peak 4719 from cnoeabs.peaks (6.95, 1.23, 22.65 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.89: HZ PHE 48 + QG1 VAL 65 OK 56 100 - 56 - 2.2/4718=25, ~4716=9...(14) QE PHE 35 + QG1 VAL 65 OK 55 99 - 56 - 2.2/5031=12, 4581/4728=8...(21) HZ PHE 35 + QG1 VAL 65 OK 43 99 - 43 - 3.8/5031=10, 4594/4728=5...(15) HD22 ASN 42 - QG1 VAL 65 lone 7 92 - 8 - Peak 4721 from cnoeabs.peaks (3.93, 2.39, 31.50 ppm; 3.80 A): 7 out of 14 assignments used, quality = 0.93: HA LEU 62 + HB VAL 65 OK 69 98 - 71 - 4998=30, 4722/2.1=14...(12) HA THR 37 + HB VAL 65 OK 24 100 - 24 - 4722/2.1=6, 4723/2.1=6...(6) HA3 GLY 18 + HB VAL 65 OK 22 100 - 21 - 4722/2.1=4, 4723/2.1=3...(9) HA2 GLY 18 + HB VAL 65 OK 22 100 - 21 - 4722/2.1=4, 4723/2.1=3...(9) HA3 GLY 21 + HB VAL 65 OK 20 87 - 23 - 2.9/2659=4, 4722/2.1=4...(9) HA2 GLY 21 + HB VAL 65 OK 20 85 - 23 - 2.9/2659=4, 4722/2.1=3...(9) HA LEU 62 + HG3 MET 11 OK 19 98 - 19 - 4998=8, 4675/3921=2...(8) HA ALA 28 - HB VAL 65 poor 9 71 - 12 - 4722/2.1=3, 4723/2.1=3...(4) HA THR 37 - HG3 MET 11 lone 6 100 - 6 - ~114=1 HA3 GLY 18 - HG3 MET 11 lone 2 100 - 2 - HA2 GLY 18 - HG3 MET 11 lone 2 100 - 2 - HA3 GLY 21 - HG3 MET 11 lone 2 87 - 3 - HA2 GLY 21 - HG3 MET 11 lone 2 85 - 3 - HA ALA 28 - HG3 MET 11 lone 1 71 - 2 - Peak 4722 from cnoeabs.peaks (3.93, 1.21, 23.08 ppm; 3.49 A): 7 out of 7 assignments used, quality = 0.87: HA LEU 62 + QG2 VAL 65 OK 62 98 - 63 - 4998/2.1=18, 4999=14...(15) HA THR 37 + QG2 VAL 65 OK 25 100 - 25 - 5597/4727=6, 4721/2.1=3...(7) HA3 GLY 18 + QG2 VAL 65 OK 15 100 - 15 - 4721/2.1=3, 3.0/2669=3...(6) HA2 GLY 18 + QG2 VAL 65 OK 15 100 - 15 - 3.0/2669=3, 4721/2.1=3...(6) HA3 GLY 21 + QG2 VAL 65 OK 15 87 - 17 - 2.9/2669=4, 4721/2.1=3...(7) HA2 GLY 21 + QG2 VAL 65 OK 15 85 - 17 - 2.9/2669=4, 4721/2.1=3...(7) HA ALA 28 + QG2 VAL 65 OK 15 71 - 21 - 4172=3, 2.1/5532=2...(9) Peak 4723 from cnoeabs.peaks (3.93, 1.23, 22.65 ppm; 3.84 A): 7 out of 8 assignments used, quality = 0.91: HA LEU 62 + QG1 VAL 65 OK 66 97 - 68 - 4998/2.1=22, 4675/4.1=15...(15) HA THR 37 + QG1 VAL 65 OK 32 100 - 33 - 4267/5031=7, 4279/5035=5...(11) HA3 GLY 18 + QG1 VAL 65 OK 19 100 - 19 - 4721/2.1=3, 3.0/2664=3...(7) HA2 GLY 18 + QG1 VAL 65 OK 19 99 - 19 - 4721/2.1=3, 3.0/2664=3...(7) HA3 GLY 21 + QG1 VAL 65 OK 18 89 - 20 - 2.9/2664=5, 4721/2.1=3...(7) HA2 GLY 21 + QG1 VAL 65 OK 18 87 - 20 - 2.9/2664=5, 4721/2.1=3...(7) HA ALA 28 + QG1 VAL 65 OK 16 73 - 22 - 4172/2.1=4, ~5532=3...(9) HA2 GLY 72 - QG1 VAL 65 lone 5 60 - 9 - ~5492=2 Peak 4724 from cnoeabs.peaks (0.96, 1.21, 23.08 ppm; 3.65 A): 5 out of 6 assignments used, quality = 0.92: QD1 LEU 64 + QG2 VAL 65 OK 54 100 - 55 - 4.4/4715=11, 2.1/5030=9...(17) QG2 ILE 40 + QG2 VAL 65 OK 49 65 - 74 - ~5035=9, ~5033=8...(31) QD2 LEU 62 + QG2 VAL 65 OK 37 65 - 56 - 4.0/4722=8, 5002=8...(17) QD2 LEU 43 + QG2 VAL 65 OK 27 96 - 29 - 2.1/5965=5, 4388/3.2=4...(9) QG2 VAL 41 + QG2 VAL 65 OK 27 78 - 34 - 5130/3.2=4, 2.1/5965=4...(11) QG1 VAL 45 - QG2 VAL 65 lone 2 60 - 4 - 4554/4726=1 Peak 4725 from cnoeabs.peaks (0.71, 1.21, 23.08 ppm; 3.39 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 33 + QG2 VAL 65 OK 64 100 - 64 - 3.2/4727=23, 1684=10...(18) QD2 LEU 57 + QG2 VAL 65 OK 59 100 - 59 - ~4707=10, 4612/4727=7...(16) Peak 4726 from cnoeabs.peaks (0.50, 1.21, 23.08 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.71: QD2 LEU 52 + QG2 VAL 65 OK 71 96 - 75 - 2.1/5315=22, ~5314=18...(20) Peak 4727 from cnoeabs.peaks (0.31, 1.21, 23.08 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.63: QG2 ILE 33 + QG2 VAL 65 OK 63 100 - 63 - 3.2/4725=15, 1663=10...(24) Peak 4728 from cnoeabs.peaks (0.50, 1.23, 22.65 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.72: QD2 LEU 52 + QG1 VAL 65 OK 72 96 - 75 - 2.1/5314=26, ~5315=15...(19) Peak 4729 from cnoeabs.peaks (0.72, 1.23, 22.65 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.88: QD1 ILE 33 + QG1 VAL 65 OK 66 97 - 68 - ~4727=16, 5795/4.0=11...(22) QD2 LEU 57 + QG1 VAL 65 OK 65 99 - 65 - ~4707=13, 2.1/5035=11...(16) Peak 4730 from cnoeabs.peaks (1.97, 1.23, 22.65 ppm; 4.88 A): 3 out of 11 assignments used, quality = 0.96: HB2 LEU 64 + QG1 VAL 65 OK 80 100 - 80 - 4.4/2664=22, 4.0/5799=12...(21) HG LEU 57 + QG1 VAL 65 OK 70 93 - 75 - 2.1/4729=23, ~4707=21...(12) HG LEU 43 + QG1 VAL 65 OK 38 83 - 46 - 2.1/5964=9, 5641/6104=6...(13) HB3 ARG 66 - QG1 VAL 65 OK 36 65 - 55 - 4.0/274=14, ~5244=10...(12) HG2 PRO 14 - QG1 VAL 65 OK 30 90 - 33 - 2.3/2665=4, ~1113=3...(15) HG3 PRO 14 - QG1 VAL 65 OK 30 90 - 33 - 2.3/2665=4, ~1113=3...(15) HB3 ARG 70 - QG1 VAL 65 OK 26 93 - 28 - 4.1/5829=8, ~5244=6...(6) HB2 ARG 70 - QG1 VAL 65 OK 26 93 - 28 - 4.1/5829=8, ~5244=6...(6) QE MET 31 - QG1 VAL 65 OK 17 81 - 22 - 266/4.0=4, 5075/4729=3...(5) HB2 GLN 79 - QG1 VAL 65 lone 5 100 - 4 - HB3 GLN 79 - QG1 VAL 65 lone 3 68 - 4 - 5038/4.1=1 Peak 4731 from cnoeabs.peaks (1.75, 1.21, 23.08 ppm; 5.61 A): 3 out of 16 assignments used, quality = 0.99: HB2 LEU 62 + QG2 VAL 65 OK 86 100 - 86 - ~4998=22, 3.0/4722=19...(21) HB ILE 33 + QG2 VAL 65 OK 78 87 - 90 - 2.1/4727=50, 3.2/4725=25...(22) HB2 LEU 57 + QG2 VAL 65 OK 74 90 - 82 - 3.1/4725=23, ~4707=23...(16) HG2 PRO 34 - QG2 VAL 65 OK 38 98 - 38 - ~5033=6, ~5035=6...(14) HB2 LEU 43 - QG2 VAL 65 OK 32 68 - 46 - 3.1/5965=8, 3.1/4724=7...(16) HB2 LYS 32 - QG2 VAL 65 OK 20 76 - 26 - 4.3/575=9, 3.0/5244=6...(4) HB3 LYS 32 - QG2 VAL 65 OK 20 76 - 26 - 4.3/575=9, 3.0/5244=6...(4) HB2 ARG 54 - QG2 VAL 65 OK 19 92 - 21 - 3.0/5244=4, 5707/4562=2...(6) HB2 PRO 34 - QG2 VAL 65 OK 18 60 - 31 - 4.0/4249=7, ~5033=5...(11) HB3 ARG 17 - QG2 VAL 65 OK 12 99 - 12 - 4.3/2669=4, 4.0/2669=3 HB3 ARG 82 - QG2 VAL 65 OK 11 92 - 11 - 1.8/6105=2, ~5032=1...(4) HG3 ARG 26 - QG2 VAL 65 lone 6 100 - 6 - HG3 ARG 71 - QG2 VAL 65 lone 5 100 - 5 - HB3 LYS 73 - QG2 VAL 65 lone 4 65 - 5 - HB2 ARG 84 - QG2 VAL 65 lone 3 73 - 4 - HB3 LYS 85 - QG2 VAL 65 lone 2 63 - 4 - Peak 4733 from cnoeabs.peaks (1.40, 3.98, 60.19 ppm; 4.53 A): 2 out of 13 assignments used, quality = 0.70: HB3 ARG 69 + HA ARG 66 OK 49 100 - 50 - 4766=8, 1.8/5047=7...(15) HG3 ARG 69 + HA ARG 66 OK 40 85 - 47 - 1.8/4734=6, 3.0/5047=6...(14) HG3 LYS 75 - HA ARG 66 lone 8 99 - 8 - 4.9/812=2, 4.8/5851=1 HG2 LYS 75 - HA ARG 66 lone 8 99 - 8 - 4.9/812=2, 4.8/5851=1 HG3 LYS 73 - HA ARG 66 lone 7 99 - 7 - 4.9/5987=1 HG3 LYS 39 - HA ARG 66 lone 6 98 - 7 - QB ALA 53 - HA ARG 66 lone 5 100 - 5 - 2.9/4549=2, 4962=1 QB ALA 20 - HA ARG 66 lone 4 87 - 4 - ~5037=2 QB ALA 77 - HA ARG 66 lone 3 83 - 4 - 2.9/349=1 HG2 LYS 85 - HA ARG 66 lone 3 87 - 3 - QB ALA 78 - HA ARG 66 lone 3 99 - 3 - HG2 LYS 13 - HA ARG 66 lone 2 63 - 4 - HG2 LYS 83 - HA ARG 66 lone 2 65 - 2 - Peak 4734 from cnoeabs.peaks (1.21, 3.98, 60.19 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.92: QG2 VAL 65 + HA ARG 66 OK 71 100 - 71 - 5244=16, 275/3.0=15...(18) QG1 VAL 65 + HA ARG 66 OK 58 85 - 68 - ~3921=14, ~273=14...(18) HG2 ARG 69 + HA ARG 66 OK 32 65 - 49 - 3.0/4733=11, 1.8/4733=10...(12) HG13 ILE 40 - HA ARG 66 OK 21 87 - 25 - 5620/6072=6, 274/3.0=4...(7) HG13 ILE 33 - HA ARG 66 OK 19 99 - 19 - 1672/3.6=5, 275/3.0=3...(6) HG LEU 52 - HA ARG 66 OK 17 87 - 19 - 2.1/5695=5, 2.1/5694=3...(5) QG2 THR 15 - HA ARG 66 lone 2 78 - 3 - Peak 4735 from cnoeabs.peaks (6.95, 3.98, 60.19 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.82: HZ PHE 48 + HA ARG 66 OK 56 100 - 57 - 2.2/6072=32, 4605=14...(7) QE PHE 35 + HA ARG 66 OK 39 99 - 40 - 2.2/4605=8, 4688/3.0=7...(11) HZ PHE 35 + HA ARG 66 OK 33 99 - 33 - 4605=9, 5967/4.1=6...(8) HD22 ASN 42 - HA ARG 66 lone 6 92 - 7 - ~4906=1 Peak 4738 from cnoeabs.peaks (4.25, 2.90, 41.70 ppm; 4.04 A): 3 out of 14 assignments used, quality = 0.81: HA LEU 64 + HB2 ASP 67 OK 71 99 - 72 - 5288=32, 5287/1.8=32...(8) HA ALA 20 + HB2 ASP 67 OK 22 99 - 22 - 3.0/3932=6, 4739/1.8=5...(6) HA GLU 19 + HB2 ASP 67 OK 16 100 - 16 - 3.6/3932=5, 4739/1.8=4...(6) HA LYS 39 - HB2 ASP 67 lone 7 100 - 7 - 4739/1.8=2, 4737/3.9=1 HA LYS 75 - HB2 ASP 67 lone 5 97 - 5 - 4739/1.8=1, 4737/3.9=1 HA ASP 38 - HB2 ASP 67 lone 5 71 - 7 - 5810/4.6=2, 4739/1.8=2 HA THR 15 - HB2 ASP 67 lone 4 99 - 4 - HA LYS 83 - HB2 ASP 67 lone 4 97 - 4 - HA ARG 17 - HB2 ASP 67 lone 3 73 - 4 - HA ALA 12 - HB2 ASP 67 lone 2 100 - 2 - HA SER 60 - HB2 ASP 67 lone 2 73 - 3 - HA ALA 77 - HB2 ASP 67 lone 2 81 - 2 - HA THR 88 - HB2 ASP 67 lone 2 68 - 2 - HA LYS 85 - HB2 ASP 67 lone 1 71 - 2 - Peak 4739 from cnoeabs.peaks (4.26, 2.84, 41.70 ppm; 4.14 A): 3 out of 13 assignments used, quality = 0.85: HA LEU 64 + HB3 ASP 67 OK 75 100 - 75 - 5287=33, 5288/1.8=32...(8) HA ALA 20 + HB3 ASP 67 OK 24 100 - 24 - 3.0/3933=6, 4738/1.8=6...(6) HA GLU 19 + HB3 ASP 67 OK 18 100 - 18 - 3.6/3933=5, 4738/1.8=4...(5) HA LYS 39 - HB3 ASP 67 lone 8 98 - 9 - 2648/5020=2, 4738/1.8=2...(4) HA ASP 38 - HB3 ASP 67 lone 7 83 - 9 - 5810/4.6=3, 4738/1.8=1 HA LYS 75 - HB3 ASP 67 lone 6 92 - 6 - 4738/1.8=1, 4737/3.9=1 HA THR 15 - HB3 ASP 67 lone 4 95 - 5 - 4738/1.8=1 HA ARG 17 - HB3 ASP 67 lone 4 85 - 4 - 2648/5020=1 HA LYS 83 - HB3 ASP 67 lone 4 90 - 4 - HA SER 60 - HB3 ASP 67 lone 3 85 - 3 - HA ALA 12 - HB3 ASP 67 lone 3 100 - 3 - HA THR 88 - HB3 ASP 67 lone 2 81 - 2 - HA ALA 77 - HB3 ASP 67 lone 2 68 - 2 - Peak 4742 from cnoeabs.peaks (1.95, 4.48, 57.73 ppm; 3.46 A): 4 out of 18 assignments used, quality = 0.92: HB3 ARG 70 + HA ASP 67 OK 53 100 - 53 - 4.1/4792=9, 2.9/5052=9...(19) HB2 ARG 70 + HA ASP 67 OK 53 100 - 53 - 4.1/4792=9, 2.9/5052=9...(19) HB3 ARG 66 + HA ASP 67 OK 45 99 - 46 - 279/3.0=7, 5051=7...(17) HB2 LEU 64 + HA ASP 67 OK 37 78 - 47 - ~5287=8, ~5020=7...(14) HG13 ILE 68 - HA ASP 67 OK 19 68 - 28 - 2770/3.6=8, 5.0/5819=5...(9) HG LEU 57 - HA ASP 46 OK 12 88 - 13 - ~166=3, 2.1/4433=3...(6) HB2 MET 31 - HA ASP 67 OK 11 93 - 12 - 3772/3.0=2, ~3774=1...(5) HB VAL 41 - HA ASP 67 OK 11 83 - 14 - 756/3.6=2, ~5803=2...(7) HB2 ARG 70 - HA ASP 46 lone 8 88 - 9 - 2.9/5052=2, 4.4/5838=1...(4) HB3 ARG 70 - HA ASP 46 lone 8 88 - 9 - 2.9/5052=2, 4.4/5838=1...(4) HB2 MET 31 - HA ASP 46 lone 6 79 - 8 - HB3 ARG 66 - HA ASP 46 lone 5 86 - 6 - 4.6/748=2 HG13 ILE 68 - HA ASP 46 lone 4 55 - 8 - 4.5/285=2, ~4760=1 HG LEU 57 - HA ASP 67 lone 3 100 - 3 - HB2 GLN 79 - HA ASP 67 lone 3 89 - 3 - HB VAL 41 - HA ASP 46 lone 1 68 - 2 - HB2 LEU 64 - HA ASP 46 lone 1 64 - 2 - HB2 GLN 79 - HA ASP 46 lone 1 74 - 2 - Peak 4743 from cnoeabs.peaks (1.94, 2.90, 41.70 ppm; 4.87 A): 5 out of 9 assignments used, quality = 0.94: HB3 ARG 66 + HB2 ASP 67 OK 58 100 - 59 - 4.0/5811=25, 4.6/749=22...(10) HG13 ILE 68 + HB2 ASP 67 OK 46 95 - 48 - 4.5/286=21, 5975/1.8=15...(8) HB2 ARG 70 + HB2 ASP 67 OK 42 87 - 48 - ~5052=11, 5051/3.0=8...(11) HB3 ARG 70 + HB2 ASP 67 OK 42 87 - 48 - ~5052=11, 5051/3.0=8...(11) HB VAL 41 + HB2 ASP 67 OK 24 99 - 24 - 756/4.6=5, 4745/1.8=4...(7) HB2 MET 31 - HB2 ASP 67 OK 17 100 - 17 - 3772/3.9=5, 4745/1.8=3...(6) HB2 GLU 19 - HB2 ASP 67 OK 12 65 - 18 - 4.6/3932=6, 3.0/4738=4...(4) HB3 GLU 87 - HB2 ASP 67 lone 5 60 - 8 - 4.0/3932=3, 4745/1.8=1 HG LEU 57 - HB2 ASP 67 lone 4 87 - 5 - Peak 4744 from cnoeabs.peaks (0.96, 2.90, 41.70 ppm; 4.39 A): 5 out of 6 assignments used, quality = 0.82: QD1 LEU 64 + HB2 ASP 67 OK 64 100 - 64 - 5020/1.8=36, 3.9/5288=20...(7) QD2 LEU 43 + HB2 ASP 67 OK 22 92 - 24 - 2.1/4913=5, 4741/3.9=4...(8) QG1 VAL 45 + HB2 ASP 67 OK 16 68 - 24 - 4417/3.0=5, 2.1/4408=4...(7) QG2 VAL 41 + HB2 ASP 67 OK 12 71 - 18 - 4741/3.9=4, 2.1/4743=3...(6) QG2 ILE 40 + HB2 ASP 67 OK 12 57 - 21 - 5616/4.6=7, 4741/3.9=4...(5) QD2 LEU 62 - HB2 ASP 67 lone 3 57 - 6 - 4741/3.9=1 Peak 4745 from cnoeabs.peaks (1.92, 2.84, 41.70 ppm; 4.72 A): 7 out of 9 assignments used, quality = 0.92: HB3 ARG 66 + HB3 ASP 67 OK 51 89 - 57 - 4.6/750=25, 4.0/5813=22...(10) HG13 ILE 68 + HB3 ASP 67 OK 51 100 - 51 - 4.5/287=23, 5975=12...(8) HB ILE 68 + HB3 ASP 67 OK 28 63 - 45 - 3.9/287=27, 2.9/5975=11...(6) HB VAL 41 + HB3 ASP 67 OK 24 100 - 24 - 2.1/4746=5, 756/4.6=5...(7) HG12 ILE 40 + HB3 ASP 67 OK 16 83 - 20 - 3.2/4746=5, 2.1/4305=4...(6) HB2 MET 31 + HB3 ASP 67 OK 16 97 - 16 - 3772/3.9=4, 6102/5020=3...(5) HB2 GLU 19 + HB3 ASP 67 OK 16 92 - 17 - 4.6/3933=5, 3.0/4739=4...(5) HB3 GLU 87 - HB3 ASP 67 lone 7 89 - 8 - 4.0/3933=3, 3567/4.6=1 HB2 GLN 91 - HB3 ASP 67 lone 1 63 - 2 - Peak 4746 from cnoeabs.peaks (0.94, 2.84, 41.70 ppm; 4.46 A): 5 out of 8 assignments used, quality = 0.88: QD1 LEU 64 + HB3 ASP 67 OK 58 87 - 67 - 5020=37, 3.9/5287=19...(7) HG12 ILE 68 + HB3 ASP 67 OK 35 90 - 39 - 4.5/287=21, 1.8/5975=10...(6) QG2 ILE 40 + HB3 ASP 67 OK 27 99 - 27 - 5616/4.6=13, 4741/3.9=3...(6) QD2 LEU 43 + HB3 ASP 67 OK 22 99 - 22 - ~4913=4, 4744/1.8=4...(9) QG2 VAL 41 + HB3 ASP 67 OK 22 100 - 21 - 755/4.6=4, 2.1/4745=4...(7) QD2 LEU 62 - HB3 ASP 67 lone 7 99 - 7 - 755/4.6=1, 4732/5813=1 QG2 VAL 76 - HB3 ASP 67 lone 4 90 - 5 - 755/4.6=2 QG1 VAL 76 - HB3 ASP 67 lone 4 90 - 5 - 755/4.6=2 Peak 4748 from cnoeabs.peaks (1.79, 3.51, 65.41 ppm; 4.62 A): 6 out of 15 assignments used, quality = 0.80: HB2 ARG 69 + HA ILE 68 OK 46 97 - 48 - 760/3.6=14, ~4767=6...(13) HB3 LYS 75 + HA ILE 68 OK 21 100 - 21 - 760/3.6=5, 4.0/5815=5...(7) HB3 LYS 73 + HA ILE 68 OK 21 93 - 23 - 4.0/3934=4, 760/3.6=3...(11) HB2 PRO 34 + HA ILE 68 OK 20 96 - 21 - ~5249=5, ~5246=4...(9) HB3 LYS 39 + HA ILE 68 OK 16 98 - 17 - ~5818=3, ~5111=2...(7) HB2 LYS 85 + HA ILE 68 OK 10 97 - 11 - 4.0/5815=3, 760/3.6=2, ~4763=1 HB ILE 33 - HA ILE 68 poor 10 76 - 13 - 2.1/4214=3, ~4749=2...(6) HB3 ARG 84 - HA ILE 68 lone 6 97 - 6 - 4.6/5815=2, 760/3.6=1 HB2 LYS 13 - HA ILE 68 lone 6 100 - 6 - 760/3.6=2 HB2 LYS 32 - HA ILE 68 lone 6 87 - 6 - 760/3.6=1, ~5809=1 HB3 LYS 32 - HA ILE 68 lone 6 87 - 6 - 760/3.6=1, ~5809=1 HB2 LYS 83 - HA ILE 68 lone 5 97 - 5 - HB2 LEU 57 - HA ILE 68 lone 3 71 - 4 - HB2 ARG 54 - HA ILE 68 lone 2 68 - 3 - HB3 ARG 82 - HA ILE 68 lone 2 68 - 3 - Peak 4749 from cnoeabs.peaks (1.21, 1.90, 38.07 ppm; 4.71 A): 3 out of 6 assignments used, quality = 0.97: HG13 ILE 40 + HB ILE 68 OK 76 78 - 97 - 2.1/5246=29, ~5249=26...(38) QG2 VAL 65 + HB ILE 68 OK 72 100 - 73 - 5965/2.1=13, ~5964=11...(21) QG1 VAL 65 + HB ILE 68 OK 57 76 - 75 - 5964/2.1=12, 3.2/4750=11...(23) HG13 ILE 33 - HB ILE 68 OK 36 97 - 37 - ~5376=15, 4853/2.1=4...(8) HG LEU 52 - HB ILE 68 OK 20 93 - 21 - 4757/3.2=3, ~4758=3...(7) QG2 THR 15 - HB ILE 68 lone 8 87 - 9 - 3.9/12=2, 4757/3.2=1...(5) Peak 4750 from cnoeabs.peaks (3.64, 1.90, 38.07 ppm; 3.97 A): 3 out of 4 assignments used, quality = 0.99: HA ILE 40 + HB ILE 68 OK 83 100 - 83 - 4.1/5246=14, 4751/2.1=12...(27) HA VAL 65 + HB ILE 68 OK 73 100 - 73 - 5313/3.9=16, 4706/2.1=14...(21) HA ARG 69 + HB ILE 68 OK 69 99 - 70 - 4767/2.1=12, 2.9/3935=11...(22) HD3 PRO 14 - HB ILE 68 OK 30 87 - 35 - 1088=5, 4751/2.1=4...(13) Peak 4751 from cnoeabs.peaks (3.63, 0.81, 17.06 ppm; 3.87 A): 3 out of 4 assignments used, quality = 0.99: HA ILE 40 + QG2 ILE 68 OK 85 100 - 85 - 4.1/5249=19, 3.0/4753=16...(30) HA ARG 69 + QG2 ILE 68 OK 76 100 - 76 - 4767=16, 2.9/291=13...(29) HA VAL 65 + QG2 ILE 68 OK 73 100 - 73 - 5313/4.0=15, 4706=15...(21) HD3 PRO 14 - QG2 ILE 68 OK 30 93 - 31 - 4750/2.1=4, 4761/2.9=4...(9) Peak 4752 from cnoeabs.peaks (2.58, 0.81, 17.06 ppm; 4.81 A): 3 out of 5 assignments used, quality = 0.91: HB3 ASP 24 + QG2 ILE 68 OK 74 96 - 77 - ~4760=24, 1.8/5507=16...(12) HB2 ASP 24 + QG2 ILE 68 OK 56 81 - 70 - 4760/2.9=23, 5507=15...(11) HB3 ASP 47 + QG2 ILE 68 OK 19 93 - 20 - 1.8/4447=3, 3.0/5662=2...(8) HG2 GLN 61 - QG2 ILE 68 lone 7 71 - 9 - 4276/4754=2, ~4760=1, ~5976=1 HB3 ASP 46 - QG2 ILE 68 poor 7 63 - 10 - 4760/2.9=2, 5976/3.2=2...(4) Peak 4753 from cnoeabs.peaks (2.10, 0.81, 17.06 ppm; 4.18 A): 4 out of 9 assignments used, quality = 0.88: HB ILE 40 + QG2 ILE 68 OK 82 87 - 94 - 3.2/5249=28, 2.1/4298=15...(43) HG3 PRO 36 + QG2 ILE 68 OK 12 97 - 13 - 5042/2.9=2, 4274/4754=2...(4) HB2 PRO 36 + QG2 ILE 68 OK 12 85 - 14 - 1959/5249=2, 5042/2.9=2...(5) HB3 PRO 44 + QG2 ILE 68 OK 10 92 - 11 - 5042/2.9=2, 3.0/4402=2 HG2 PRO 36 - QG2 ILE 68 lone 9 96 - 9 - 4274/4754=2, 5042/2.9=2, ~5042=2 HB2 GLU 59 - QG2 ILE 68 lone 4 93 - 4 - HB3 GLU 59 - QG2 ILE 68 lone 4 93 - 4 - HG3 PRO 56 - QG2 ILE 68 lone 3 92 - 3 - HB2 PRO 56 - QG2 ILE 68 lone 2 89 - 3 - Peak 4754 from cnoeabs.peaks (1.18, 0.81, 17.06 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.72: QG2 THR 37 + QG2 ILE 68 OK 68 100 - 68 - 2.1/4763=16, 4284=15...(18) HG LEU 52 + QG2 ILE 68 OK 11 83 - 13 - 4757/2.9=4, ~4758=2...(4) QG2 THR 15 - QG2 ILE 68 lone 6 90 - 6 - 4757/2.9=2, 3.2/4763=1 QG2 THR 88 - QG2 ILE 68 lone 1 60 - 2 - Peak 4755 from cnoeabs.peaks (1.36, 0.81, 17.06 ppm; 5.13 A): 5 out of 13 assignments used, quality = 0.94: HG3 ARG 69 + QG2 ILE 68 OK 55 97 - 57 - 4.7/291=14, 3.9/4767=13...(19) QB ALA 28 + QG2 ILE 68 OK 45 65 - 69 - 5302/2.9=25, 2.1/5928=19...(12) HB3 ARG 69 + QG2 ILE 68 OK 43 60 - 72 - 4.0/291=16, 3.0/4767=14...(19) QB ALA 20 + QG2 ILE 68 OK 38 96 - 40 - 2.9/2756=9, ~2749=6...(11) HG3 LYS 73 + QG2 ILE 68 OK 31 78 - 39 - 4.9/5264=7, 1.8/5256=5...(17) HG2 LYS 75 - QG2 ILE 68 OK 24 73 - 33 - 3.9/4763=5, 763/4.1=4...(12) HG3 LYS 75 - QG2 ILE 68 OK 24 73 - 33 - 3.9/4763=5, 763/4.1=4...(12) HG2 LYS 85 - QG2 ILE 68 OK 14 96 - 14 - 3.8/4763=2, 763/4.1=2...(5) QB ALA 77 - QG2 ILE 68 OK 11 97 - 11 - 2.1/4763=2, ~352=1, ~351=1 HG2 LYS 83 - QG2 ILE 68 lone 7 100 - 7 - 3.7/4763=1 QB ALA 16 - QG2 ILE 68 lone 5 99 - 5 - 5.0/4763=2 QB ALA 78 - QG2 ILE 68 lone 5 78 - 6 - QB ALA 53 - QG2 ILE 68 lone 3 65 - 4 - Peak 4756 from cnoeabs.peaks (2.56, 0.92, 28.80 ppm; 5.31 A): 4 out of 4 assignments used, quality = 0.94: HB2 ASP 24 + HG12 ILE 68 OK 80 98 - 82 - 4760/2.1=40, 5976/1.8=28...(11) HB3 ASP 24 + HG12 ILE 68 OK 58 73 - 79 - ~4760=33, ~5976=23...(11) HB3 ASP 47 + HG12 ILE 68 OK 14 68 - 20 - 4752/3.2=4, 3.0/4450=3...(8) HB3 ASP 46 + HG12 ILE 68 OK 11 90 - 12 - 4760/2.1=4, 5976/1.8=4 Peak 4757 from cnoeabs.peaks (1.19, 0.78, 13.95 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.81: QG2 THR 37 + QD1 ILE 68 OK 66 92 - 72 - 4284=20, 4754/2.9=19...(19) QG2 VAL 65 + QD1 ILE 68 OK 33 68 - 48 - 3.2/4706=10, ~5964=5...(18) HG LEU 52 + QD1 ILE 68 OK 19 98 - 19 - 3.0/4758=4, 4754/2.9=3...(7) QG2 THR 15 - QD1 ILE 68 lone 8 100 - 8 - 4754/2.9=2, 3.9/5377=1 Peak 4758 from cnoeabs.peaks (1.34, 0.78, 13.95 ppm; 3.73 A): 2 out of 8 assignments used, quality = 0.74: QB ALA 28 + QD1 ILE 68 OK 69 100 - 69 - 5302=42, 4837/3.2=7...(15) HB2 LEU 52 + QD1 ILE 68 OK 16 100 - 16 - 3.0/4757=4, 5195/5376=2...(8) HB2 LEU 51 - QD1 ILE 68 lone 7 87 - 8 - 5195/5376=1 HG3 LYS 32 - QD1 ILE 68 lone 4 97 - 4 - QB ALA 16 - QD1 ILE 68 lone 2 83 - 3 - QB ALA 12 - QD1 ILE 68 lone 2 99 - 2 - HG2 LYS 83 - QD1 ILE 68 lone 2 60 - 3 - QG2 THR 58 - QD1 ILE 68 lone 1 65 - 2 - Peak 4759 from cnoeabs.peaks (1.55, 0.78, 13.95 ppm; 3.56 A): 4 out of 8 assignments used, quality = 0.66: HG LEU 64 + QD1 ILE 68 OK 41 98 - 43 - 5242=18, 3.0/5252=6...(10) HG LEU 62 + QD1 ILE 68 OK 17 89 - 19 - 5242=6, 2.1/2781=2...(5) HG2 LYS 39 + QD1 ILE 68 OK 17 100 - 17 - 2.9/5974=3, 5119/2.1=2...(5) HG3 ARG 23 + QD1 ILE 68 OK 15 99 - 15 - 5242=6, 1.8/5251=2...(4) HB3 LEU 86 - QD1 ILE 68 lone 9 93 - 9 - 4.6/2777=3 HG2 ARG 82 - QD1 ILE 68 lone 5 81 - 6 - 5242=2 HB3 ARG 54 - QD1 ILE 68 lone 3 100 - 3 - HG3 ARG 54 - QD1 ILE 68 lone 1 65 - 1 - Peak 4760 from cnoeabs.peaks (2.56, 0.78, 13.95 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.68: HB2 ASP 24 + QD1 ILE 68 OK 68 100 - 68 - 5507=18, 5508/2.1=14...(15) HB3 ASP 46 - QD1 ILE 68 lone 7 98 - 7 - 5976/2.1=2, 4756/2.1=2 HB2 GLN 61 - QD1 ILE 68 lone 5 57 - 8 - 5533/5302=2, 5976/2.1=1...(4) Peak 4761 from cnoeabs.peaks (3.63, 0.78, 13.95 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.97: HA ILE 40 + QD1 ILE 68 OK 75 98 - 76 - 4.1/5247=18, 3.0/5042=9...(26) HA VAL 65 + QD1 ILE 68 OK 68 99 - 68 - 4706=20, 5313/5.0=11...(20) HA ARG 69 + QD1 ILE 68 OK 67 100 - 67 - 2.9/294=10, 4767/2.9=9...(21) HD3 PRO 14 - QD1 ILE 68 OK 31 99 - 31 - 2.3/5252=6, 2.3/5252=6...(9) Peak 4762 from cnoeabs.peaks (3.94, 0.81, 17.06 ppm; 4.34 A): 3 out of 11 assignments used, quality = 0.97: HA THR 37 + QG2 ILE 68 OK 82 99 - 83 - 3.2/4754=27, 3.0/4763=18...(22) HA ALA 28 + QG2 ILE 68 OK 63 90 - 69 - ~5302=19, 5928=18...(14) HA2 GLY 72 + QG2 ILE 68 OK 60 81 - 74 - ~5845=14, 1.8/4795=12...(23) HA LEU 62 - QG2 ILE 68 OK 22 87 - 26 - 3.6/3936=3, 2569/3.2=2...(12) HA VAL 76 - QG2 ILE 68 OK 22 68 - 32 - 4.7/4763=3, 3156/4.1=3...(15) HA3 GLY 21 - QG2 ILE 68 lone 9 98 - 10 - 4.8/4755=2 HA2 GLY 21 - QG2 ILE 68 lone 9 97 - 9 - 4.8/4755=2 HA GLN 61 - QG2 ILE 68 poor 9 76 - 12 - 4764/2.9=1 HA3 GLY 18 - QG2 ILE 68 lone 7 95 - 7 - 4313/5249=1 HA2 GLY 18 - QG2 ILE 68 lone 7 93 - 7 - 4313/5249=1 HA GLU 50 - QG2 ILE 68 lone 5 78 - 7 - Peak 4763 from cnoeabs.peaks (4.22, 0.81, 17.06 ppm; 4.09 A): 3 out of 9 assignments used, quality = 0.87: HB THR 37 + QG2 ILE 68 OK 80 100 - 80 - 2.1/4754=31, 4283=19...(19) HA LYS 75 + QG2 ILE 68 OK 19 78 - 24 - 3975/4.1=2, 3.6/3936=2...(12) HA LYS 39 + QG2 ILE 68 OK 16 63 - 26 - 3.6/4295=8, 4765/2.9=2...(10) HA THR 15 - QG2 ILE 68 poor 9 73 - 12 - 3.2/4754=2, 4.9/2758=1...(6) HA LYS 85 - QG2 ILE 68 lone 9 99 - 9 - ~5815=1 HA ALA 77 - QG2 ILE 68 lone 6 97 - 6 - HA LYS 83 - QG2 ILE 68 lone 5 81 - 6 - HA ALA 78 - QG2 ILE 68 lone 3 90 - 3 - HA GLN 79 - QG2 ILE 68 lone 2 71 - 2 - Peak 4764 from cnoeabs.peaks (3.95, 0.78, 13.95 ppm; 4.89 A): 3 out of 13 assignments used, quality = 0.99: HA ALA 28 + QD1 ILE 68 OK 77 100 - 77 - 2.1/5302=40, 5928/2.9=16...(14) HA2 GLY 72 + QD1 ILE 68 OK 75 98 - 77 - 4797=12, 4797/2.9=12...(20) HA THR 37 + QD1 ILE 68 OK 75 87 - 86 - 3.2/4757=22, ~4754=17...(23) HA VAL 76 - QD1 ILE 68 OK 35 93 - 38 - ~5817=3, 3.0/3939=3...(17) HA ARG 66 - QD1 ILE 68 OK 34 76 - 45 - 4.1/5251=6, ~4732=5...(17) HA GLN 61 - QD1 ILE 68 OK 16 97 - 17 - 3.0/4760=2, 4854/5376=2...(7) HA LEU 62 - QD1 ILE 68 OK 16 57 - 28 - 4.3/4759=6, 3.6/3939=4...(11) HA3 GLY 21 - QD1 ILE 68 OK 11 100 - 11 - 4762/2.9=1 HA2 GLY 21 - QD1 ILE 68 OK 11 100 - 11 - 4762/2.9=1 HA LYS 32 - QD1 ILE 68 poor 10 76 - 13 - 1559/5302=3, ~5817=2...(5) HA GLU 50 - QD1 ILE 68 lone 8 97 - 9 - HA3 GLY 18 - QD1 ILE 68 lone 5 71 - 8 - 4313/5247=1 HA2 GLY 18 - QD1 ILE 68 lone 5 68 - 8 - 4313/5247=1 Peak 4765 from cnoeabs.peaks (4.24, 0.78, 13.95 ppm; 4.83 A): 5 out of 11 assignments used, quality = 0.95: HB THR 37 + QD1 ILE 68 OK 76 89 - 86 - 2.1/4757=25, ~4754=22...(19) HA LEU 64 + QD1 ILE 68 OK 44 83 - 53 - 4.3/5242=14, 6071=13...(6) HA LYS 39 + QD1 ILE 68 OK 30 97 - 31 - 4.1/4759=6, 3.0/5974=4...(9) HA ALA 20 + QD1 ILE 68 OK 28 81 - 35 - 3.0/2777=8, ~2770=5...(9) HA LYS 75 + QD1 ILE 68 OK 28 100 - 28 - 4763/2.9=4, 3.0/5974=4...(10) HA THR 15 - QD1 ILE 68 OK 19 99 - 19 - 3.0/5377=3, 3.2/4757=3...(7) HA GLU 19 - QD1 ILE 68 OK 18 89 - 20 - 3.6/2777=7, 3720/5.0=2...(6) HA LYS 83 - QD1 ILE 68 OK 10 100 - 10 - 3.6/5377=2 HA ALA 77 - QD1 ILE 68 lone 10 99 - 10 - 5437/2.1=1, 4763/2.9=1...(4) HA LYS 85 - QD1 ILE 68 lone 9 97 - 9 - 4763/2.9=2 HA ALA 12 - QD1 ILE 68 lone 4 87 - 4 - Peak 4766 from cnoeabs.peaks (3.97, 1.39, 29.46 ppm; 4.66 A): 3 out of 9 assignments used, quality = 0.98: HA VAL 76 + HB3 ARG 69 OK 82 100 - 82 - 5047/1.8=11, 3.0/3942=9...(37) HA2 GLY 72 + HB3 ARG 69 OK 68 98 - 69 - ~15492=18, 5844/1.8=14...(18) HA ARG 66 + HB3 ARG 69 OK 58 100 - 59 - 4733=18, 4733/3.0=10...(15) HA GLU 50 - HB3 ARG 69 OK 42 99 - 43 - 4502=6, 5047/1.8=5...(20) HA LYS 32 - HB3 ARG 69 OK 37 100 - 37 - 5047/1.8=5, 1554/4.3=4...(15) HA ALA 28 - HB3 ARG 69 OK 19 93 - 20 - 5379/4.0=3, 3.6/3942=2...(8) HA GLN 61 - HB3 ARG 69 OK 14 99 - 14 - 4502=2, 5047/1.8=2...(6) HA2 GLY 21 - HB3 ARG 69 OK 11 83 - 13 - 2.9/34=1, 5047/1.8=1 HA3 GLY 21 - HB3 ARG 69 OK 10 81 - 13 - 2.9/34=1, 5047/1.8=1 Peak 4767 from cnoeabs.peaks (0.80, 3.63, 59.20 ppm; 3.92 A): 3 out of 5 assignments used, quality = 0.96: QG2 ILE 68 + HA ARG 69 OK 75 99 - 76 - 4751=14, 291/2.9=13...(28) QG1 VAL 41 + HA ARG 69 OK 64 99 - 65 - 2.1/5130=12, 4903/3.9=8...(20) QD1 ILE 68 + HA ARG 69 OK 56 81 - 70 - 4761=11, 294/2.9=9...(22) QD1 ILE 89 - HA ARG 69 OK 17 98 - 17 - 5274/3.0=3, 291/2.9=2...(5) QD1 LEU 43 - HA ARG 69 OK 11 63 - 18 - 5831/3.6=2, 4703=2...(5) Peak 4768 from cnoeabs.peaks (2.04, 3.63, 59.20 ppm; 4.30 A): 3 out of 16 assignments used, quality = 0.99: HD2 ARG 69 + HA ARG 69 OK 87 95 - 92 - 4.6=80, 3.0/2789=11...(18) HD3 ARG 69 + HA ARG 69 OK 87 95 - 92 - 4.6=80, 3.0/2789=11...(18) HB VAL 76 + HA ARG 69 OK 55 100 - 55 - 2.1/4769=7, 2.1/4769=7...(22) HB2 GLU 50 - HA ARG 69 OK 24 100 - 24 - 2807/3.0=2, 2799/3.0=2...(13) HB3 GLU 50 - HA ARG 69 OK 24 100 - 24 - 2807/3.0=2, 2799/3.0=2...(13) HB3 GLU 19 - HA ARG 69 lone 7 100 - 7 - 5820/2.9=1 HB2 GLU 87 - HA ARG 69 lone 6 96 - 6 - 5820/2.9=1, ~290=1 HB3 MET 31 - HA ARG 69 lone 6 65 - 8 - 4.7/3940=2, 3773/3.6=1 HG2 PRO 44 - HA ARG 69 lone 5 100 - 5 - HB VAL 90 - HA ARG 69 lone 5 71 - 7 - HB2 GLU 25 - HA ARG 69 lone 5 97 - 5 - HB3 GLU 25 - HA ARG 69 lone 5 97 - 5 - HG2 PRO 56 - HA ARG 69 lone 4 99 - 4 - HB3 PRO 56 - HA ARG 69 lone 4 96 - 4 - HB3 GLN 91 - HA ARG 69 lone 3 100 - 3 - HB VAL 45 - HA ARG 69 lone 1 78 - 1 - Peak 4769 from cnoeabs.peaks (0.91, 3.63, 59.20 ppm; 3.48 A): 5 out of 10 assignments used, quality = 0.96: QG2 ILE 40 + HA ARG 69 OK 58 87 - 67 - 1937=11, 4303/3.0=8...(27) HG12 ILE 68 + HA ARG 69 OK 57 98 - 58 - 2.1/4761=8, 3.2/4767=7...(19) QG2 VAL 41 + HA ARG 69 OK 43 76 - 56 - 5130=10, 2.1/4767=8...(21) QG2 VAL 76 + HA ARG 69 OK 42 98 - 43 - 3.9/3940=4, 2.1/4768=4...(26) QG1 VAL 76 + HA ARG 69 OK 42 98 - 43 - 3.9/3940=4, 2.1/4768=4...(25) QD2 LEU 62 - HA ARG 69 OK 14 87 - 16 - 292/2.9=2, 2.1/5960=2 QG1 VAL 90 - HA ARG 69 lone 4 96 - 4 - QG2 VAL 90 - HA ARG 69 lone 4 95 - 4 - HG LEU 51 - HA ARG 69 lone 4 83 - 5 - 2.1/5680=2 QD1 LEU 86 - HA ARG 69 lone 3 73 - 3 - Peak 4773 from cnoeabs.peaks (0.92, 1.80, 29.46 ppm; 4.29 A): 5 out of 9 assignments used, quality = 1.00: QG2 ILE 40 + HB2 ARG 69 OK 83 99 - 84 - 4303=21, 4302/1.8=15...(30) QG2 VAL 41 + HB2 ARG 69 OK 69 96 - 72 - 5130/3.0=11, ~5253=10...(23) QG1 VAL 76 + HB2 ARG 69 OK 64 100 - 64 - 3.2/5047=7, 3.9/3941=7...(28) QG2 VAL 76 + HB2 ARG 69 OK 64 100 - 64 - 3.2/5047=7, 3.9/3941=7...(28) HG12 ILE 68 + HB2 ARG 69 OK 57 100 - 57 - 5.0/760=9, 4769/3.0=7...(17) QD2 LEU 62 - HB2 ARG 69 OK 19 99 - 19 - 3910/4.0=3, ~5960=2...(6) QD2 LEU 43 - HB2 ARG 69 OK 13 78 - 16 - ~4703=2, 5830/4.3=1...(6) QG1 VAL 90 - HB2 ARG 69 lone 7 76 - 8 - QG2 VAL 90 - HB2 ARG 69 lone 6 73 - 8 - Peak 4774 from cnoeabs.peaks (0.92, 1.39, 29.46 ppm; 4.31 A): 5 out of 9 assignments used, quality = 1.00: QG2 ILE 40 + HB3 ARG 69 OK 82 99 - 82 - 4303/1.8=18, 4302=14...(30) QG2 VAL 41 + HB3 ARG 69 OK 72 97 - 74 - 5130/3.0=11, ~5253=10...(23) QG2 VAL 76 + HB3 ARG 69 OK 67 100 - 67 - 3.9/3942=7, 4773/1.8=7...(33) QG1 VAL 76 + HB3 ARG 69 OK 67 100 - 67 - 3.9/3942=7, 4773/1.8=7...(33) HG12 ILE 68 + HB3 ARG 69 OK 57 100 - 57 - 5.0/2800=8, 4769/3.0=7...(18) QD2 LEU 62 - HB3 ARG 69 OK 18 99 - 18 - 3910/4.0=3, 5830/4.3=2...(6) QD2 LEU 43 - HB3 ARG 69 OK 13 81 - 15 - 2.1/5821=2, ~4703=2...(5) QG1 VAL 90 - HB3 ARG 69 lone 6 73 - 8 - QG2 VAL 90 - HB3 ARG 69 lone 6 71 - 8 - Peak 4776 from cnoeabs.peaks (3.96, 1.24, 27.02 ppm; 4.12 A): 5 out of 20 assignments used, quality = 0.97: HA VAL 76 + HG2 ARG 69 OK 69 100 - 69 - 3.0/3943=8, 5047/3.0=7...(31) HA ARG 66 + HG2 ARG 69 OK 45 97 - 47 - 4733/3.0=9, 4733/1.8=9...(12) HA2 GLY 72 + HG2 ARG 69 OK 45 100 - 45 - 5844/3.0=9, 3.0/2808=5...(13) HA ALA 28 + HG13 ILE 33 OK 42 60 - 70 - 4174/2.1=18, ~4179=17...(13) HA GLN 61 + HG13 ILE 33 OK 40 63 - 64 - 4503/2.1=15, ~4225=9...(18) HA GLU 50 - HG2 ARG 69 OK 32 100 - 32 - 4502/1.8=5, 4502/3.0=4...(16) HA LYS 32 - HG2 ARG 69 OK 26 97 - 27 - 3.0/3943=3, 5047/3.0=3...(10) HA LYS 32 - HG13 ILE 33 OK 25 57 - 44 - 3776/4.5=23, 5543/1.8=7...(11) HA ALA 28 - HG2 ARG 69 OK 15 99 - 15 - 3.6/3943=2, 5379/4.7=2...(5) HA GLN 61 - HG2 ARG 69 OK 13 100 - 13 - 4502/1.8=2, 4502/3.0=1...(4) HA THR 37 - HG13 ILE 33 OK 12 29 - 41 - ~4285=12, 5597/3.2=11...(8) HA ARG 66 - HG13 ILE 33 OK 10 57 - 18 - 3.6/5804=3, 4734=2...(7) HA2 GLY 21 - HG2 ARG 69 poor 10 93 - 10 - HA3 GLY 21 - HG2 ARG 69 poor 10 92 - 10 - HA2 GLY 21 - HG13 ILE 33 poor 9 54 - 16 - ~4211=3, 4227/2.1=2...(8) HA3 GLY 21 - HG13 ILE 33 poor 9 53 - 16 - ~4211=3, 4227/2.1=2...(8) HA GLU 50 - HG13 ILE 33 poor 7 63 - 11 - 4503/2.1=4, ~5550=1 HA VAL 76 - HG13 ILE 33 lone 5 63 - 8 - 4227/2.1=1 HA2 GLY 72 - HG13 ILE 33 lone 4 63 - 6 - HA THR 37 - HG2 ARG 69 lone 4 57 - 6 - Peak 4777 from cnoeabs.peaks (3.98, 1.38, 27.02 ppm; 5.26 A): 4 out of 11 assignments used, quality = 0.99: HA VAL 76 + HG3 ARG 69 OK 82 96 - 86 - 3.0/3944=12, 5047/3.0=10...(36) HA ARG 66 + HG3 ARG 69 OK 64 100 - 64 - 4733/3.0=14, 4733=12...(15) HA2 GLY 72 + HG3 ARG 69 OK 55 89 - 62 - 5844/3.0=12, 3.0/2816=9...(17) HA ARG 70 + HG3 ARG 69 OK 51 78 - 65 - 2.9/3944=11, ~3941=10...(16) HA GLU 50 - HG3 ARG 69 OK 43 90 - 48 - 3.0/4501=7, 4502/3.0=5...(20) HA LYS 32 - HG3 ARG 69 OK 40 100 - 39 - 3.0/3944=5, 5047/3.0=4...(13) HA ALA 28 - HG3 ARG 69 OK 17 78 - 21 - 3.6/3944=3, 5379/4.7=3...(6) HA GLN 61 - HG3 ARG 69 OK 16 92 - 18 - 5379/4.7=2, 4766/3.0=2...(8) HA2 GLY 21 - HG3 ARG 69 OK 11 63 - 17 - 2.9/34=2, 1.8/4149=1...(6) HA3 GLY 21 - HG3 ARG 69 OK 10 60 - 17 - 2.9/34=2, 1.8/4149=1...(6) HA ARG 54 - HG3 ARG 69 poor 7 63 - 11 - 4604/4784=2, 3.0/209=1 Peak 4778 from cnoeabs.peaks (0.94, 1.38, 27.02 ppm; 4.42 A): 4 out of 8 assignments used, quality = 0.98: QG2 VAL 41 + HG3 ARG 69 OK 76 97 - 78 - 3.2/5253=21, 4347=11...(22) QG2 ILE 40 + HG3 ARG 69 OK 71 92 - 77 - 4303/3.0=14, 4302/3.0=12...(27) QG2 VAL 76 + HG3 ARG 69 OK 48 73 - 65 - 3.9/3944=8, 3.2/5435=6...(33) QG1 VAL 76 + HG3 ARG 69 OK 48 73 - 65 - 3.9/3944=8, 3.2/5435=6...(33) HG12 ILE 68 - HG3 ARG 69 OK 24 73 - 33 - 5.0/2816=7, 3.2/4755=4...(10) QD2 LEU 62 - HG3 ARG 69 OK 12 92 - 13 - 3910/4.7=2, 5002/1.8=1 QD1 LEU 64 - HG3 ARG 69 OK 12 97 - 12 - 5012/4.7=2, 4779/1.8=1 QD2 LEU 43 - HG3 ARG 69 OK 12 100 - 11 - 4612/4784=1, 4779/1.8=1, ~5821=1 Peak 4779 from cnoeabs.peaks (0.95, 1.24, 27.02 ppm; 4.55 A): 4 out of 16 assignments used, quality = 0.98: QG2 VAL 41 + HG2 ARG 69 OK 73 97 - 76 - ~5253=15, 3.2/5254=15...(19) QG2 ILE 40 + HG2 ARG 69 OK 73 90 - 81 - 4303/3.0=14, 4302/3.0=12...(29) QG2 VAL 76 + HG2 ARG 69 OK 46 71 - 65 - 3.9/3943=8, 4778/1.8=6...(29) QG1 VAL 76 + HG2 ARG 69 OK 46 71 - 65 - 3.9/3943=8, 4778/1.8=6...(29) QD1 LEU 64 - HG13 ILE 33 OK 34 59 - 58 - ~5026=10, ~5025=9...(14) QG2 ILE 40 - HG13 ILE 33 OK 32 51 - 62 - ~4300=17, ~4224=7...(19) HG12 ILE 68 - HG2 ARG 69 OK 25 71 - 36 - 5.0/762=8, ~5821=4...(10) QD2 LEU 43 - HG13 ILE 33 OK 18 63 - 29 - ~6122=4, 2040/1.8=3...(11) QD1 LEU 64 - HG2 ARG 69 OK 14 98 - 14 - 5012/4.7=2, 4778/1.8=2...(4) QD2 LEU 62 - HG2 ARG 69 OK 13 90 - 15 - 3910/4.7=3, 4778/1.8=2 QD2 LEU 43 - HG2 ARG 69 OK 13 100 - 13 - 4778/1.8=2, ~5821=1, 4612/5981=1 HG12 ILE 68 - HG13 ILE 33 OK 12 37 - 32 - ~5376=17, ~4223=2...(9) QG2 VAL 41 - HG13 ILE 33 poor 9 57 - 15 - 4.0/142=2, 3.2/5254=1, ~4223=1 QD2 LEU 62 - HG13 ILE 33 poor 8 51 - 16 - 4.0/4999=4, 5002=2, 2594/3.0=1 QG2 VAL 76 - HG13 ILE 33 lone 2 37 - 6 - QG1 VAL 76 - HG13 ILE 33 lone 2 37 - 6 - Peak 4780 from cnoeabs.peaks (0.93, 2.03, 42.48 ppm; 4.52 A): 8 out of 20 assignments used, quality = 1.00: QG2 ILE 40 + HD3 ARG 69 OK 67 100 - 67 - 4303/3.9=13, 4302/3.9=11...(23) QG2 ILE 40 + HD2 ARG 69 OK 67 100 - 67 - 4303/3.9=13, 4302/3.9=11...(23) QG2 VAL 41 + HD3 ARG 69 OK 64 97 - 66 - ~5253=11, 3.2/6073=10...(16) QG2 VAL 41 + HD2 ARG 69 OK 64 97 - 66 - ~5253=11, 3.2/6073=10...(16) QG2 VAL 76 + HD2 ARG 69 OK 59 100 - 60 - 3.9/813=6, 3.2/3158=6...(30) QG2 VAL 76 + HD3 ARG 69 OK 59 100 - 60 - 3.9/813=6, 3.2/3158=6...(30) QG1 VAL 76 + HD2 ARG 69 OK 59 100 - 59 - 3.9/813=6, 3.2/3158=6...(30) QG1 VAL 76 + HD3 ARG 69 OK 59 100 - 59 - 3.9/813=6, 3.2/3158=6...(30) HG12 ILE 68 - HD2 ARG 69 OK 27 100 - 28 - 5.0/5820=5, 4769/4.6=5...(8) HG12 ILE 68 - HD3 ARG 69 OK 27 100 - 28 - 5.0/5820=5, 4769/4.6=5...(8) QD2 LEU 62 - HD3 ARG 69 OK 14 100 - 14 - 3910/6.3=2, 4773/3.9=1...(5) QD2 LEU 62 - HD2 ARG 69 OK 14 100 - 14 - 3910/6.3=2, 4773/3.9=1...(5) QD2 LEU 43 - HD3 ARG 69 poor 9 83 - 11 - 4919/5823=2, 4612/4789=1 QD2 LEU 43 - HD2 ARG 69 poor 9 83 - 11 - 4919/5823=2, 4612/4789=1 QG1 VAL 90 - HD3 ARG 69 lone 6 71 - 9 - QG1 VAL 90 - HD2 ARG 69 lone 6 71 - 9 - QG2 VAL 90 - HD3 ARG 69 lone 6 68 - 8 - QG2 VAL 90 - HD2 ARG 69 lone 6 68 - 8 - QD1 LEU 64 - HD2 ARG 69 lone 5 57 - 8 - QD1 LEU 64 - HD3 ARG 69 lone 5 57 - 8 - Peak 4784 from cnoeabs.peaks (7.14, 1.38, 27.02 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.88: QE PHE 48 + HG3 ARG 69 OK 88 97 - 91 - 5979/3.0=31, 5981/1.8=28...(23) Peak 4785 from cnoeabs.peaks (4.81, 1.38, 27.02 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4787 from cnoeabs.peaks (7.16, 2.03, 42.48 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.95: QE PHE 48 + HD3 ARG 69 OK 77 99 - 78 - 4784/3.0=17, 5981/3.0=17...(20) QE PHE 48 + HD2 ARG 69 OK 77 99 - 78 - 4784/3.0=17, 5981/3.0=17...(20) Peak 4789 from cnoeabs.peaks (7.16, 2.03, 42.48 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.95: QE PHE 48 + HD3 ARG 69 OK 78 100 - 78 - 4784/3.0=19, 5981/3.0=16...(21) QE PHE 48 + HD2 ARG 69 OK 78 100 - 78 - 4784/3.0=19, 5981/3.0=16...(21) Peak 4790 from cnoeabs.peaks (6.96, 2.03, 42.48 ppm; 4.76 A): 2 out of 8 assignments used, quality = 0.96: HZ PHE 48 + HD2 ARG 69 OK 80 96 - 83 - 2.2/4789=20, ~4784=18...(16) HZ PHE 48 + HD3 ARG 69 OK 80 96 - 83 - 2.2/4789=20, ~4784=18...(16) HZ PHE 35 - HD3 ARG 69 OK 25 93 - 27 - 5978/3.9=5, 4652/3.0=4...(10) HZ PHE 35 - HD2 ARG 69 OK 25 93 - 27 - 5978/3.9=5, 4652/3.0=4...(10) QE PHE 35 - HD3 ARG 69 OK 23 92 - 25 - 5978/3.9=5, 2.2/4660=3...(9) QE PHE 35 - HD2 ARG 69 OK 23 92 - 25 - 5978/3.9=5, 2.2/4660=3...(9) HD22 ASN 42 - HD2 ARG 69 lone 5 78 - 6 - 5978/3.9=1 HD22 ASN 42 - HD3 ARG 69 lone 5 78 - 6 - 5978/3.9=1 Peak 4794 from cnoeabs.peaks (0.93, 3.74, 46.02 ppm; 4.08 A): 2 out of 8 assignments used, quality = 0.94: QG2 VAL 41 + HA3 GLY 72 OK 85 100 - 85 - 4335=49, 2.1/4338=37...(13) HG12 ILE 68 + HA3 GLY 72 OK 58 97 - 60 - 2.1/4795=9, 3.2/4795=9...(17) QG2 ILE 40 - HA3 GLY 72 OK 27 100 - 27 - 4326/3.0=5, 4796/1.8=4...(10) QG2 VAL 76 - HA3 GLY 72 OK 24 97 - 25 - 5263/3.6=5, 4796/1.8=4...(10) QG1 VAL 76 - HA3 GLY 72 OK 24 97 - 25 - 5263/3.6=5, 4796/1.8=4...(10) QD2 LEU 62 - HA3 GLY 72 OK 14 100 - 14 - 5055/3.0=3, 5263/3.6=2...(4) QD1 LEU 64 - HA3 GLY 72 poor 8 73 - 11 - 5055/3.0=2, ~5842=1...(4) QD2 LEU 43 - HA3 GLY 72 lone 6 93 - 7 - 5055/3.0=1 Peak 4795 from cnoeabs.peaks (0.80, 3.74, 46.02 ppm; 3.99 A): 3 out of 4 assignments used, quality = 0.97: QG1 VAL 41 + HA3 GLY 72 OK 85 100 - 85 - 4338=49, 2.1/4335=36...(12) QG2 ILE 68 + HA3 GLY 72 OK 61 96 - 64 - ~5845=11, 4797/1.8=11...(19) QD1 ILE 68 + HA3 GLY 72 OK 51 90 - 56 - 4797/1.8=10, 2.1/4794=8...(16) QD1 ILE 89 - HA3 GLY 72 OK 15 93 - 16 - 5264/3.6=5, 4797/1.8=3...(5) Peak 4796 from cnoeabs.peaks (0.93, 3.96, 46.02 ppm; 4.29 A): 3 out of 10 assignments used, quality = 0.96: QG2 VAL 41 + HA2 GLY 72 OK 84 99 - 85 - 4335/1.8=42, ~4338=28...(15) HG12 ILE 68 + HA2 GLY 72 OK 63 99 - 63 - 2.1/4797=10, 4794/1.8=10...(16) QG2 ILE 40 + HA2 GLY 72 OK 32 100 - 33 - 4326/3.0=5, 4794/1.8=4...(13) QG2 VAL 76 - HA2 GLY 72 OK 31 99 - 31 - 5263/3.6=5, 4794/1.8=4...(12) QG1 VAL 76 - HA2 GLY 72 OK 31 99 - 31 - 5263/3.6=5, 4794/1.8=4...(12) QD2 LEU 62 - HA2 GLY 72 OK 17 100 - 17 - 5055/3.0=3, 5263/3.6=3...(5) QD1 LEU 64 - HA2 GLY 72 poor 10 63 - 15 - 5055/3.0=2, 2.1/4384=2...(7) QD2 LEU 43 - HA2 GLY 72 lone 7 87 - 8 - 5055/3.0=1, 4794/1.8=1 QG1 VAL 90 - HA2 GLY 72 lone 1 65 - 2 - QG2 VAL 90 - HA2 GLY 72 lone 1 63 - 2 - Peak 4797 from cnoeabs.peaks (0.79, 3.96, 46.02 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.97: QG1 VAL 41 + HA2 GLY 72 OK 82 100 - 82 - 4338/1.8=39, ~4335=25...(13) QG2 ILE 68 + HA2 GLY 72 OK 65 93 - 69 - ~5845=11, 4795/1.8=11...(22) QD1 ILE 68 + HA2 GLY 72 OK 57 93 - 61 - 4795/1.8=9, 2.1/4796=7...(18) QD1 ILE 89 - HA2 GLY 72 OK 15 90 - 17 - 5264/3.6=5, 4795/1.8=3...(5) Peak 4799 from cnoeabs.peaks (1.91, 3.74, 46.02 ppm; 5.50 A): 3 out of 11 assignments used, quality = 0.99: HB VAL 41 + HA3 GLY 72 OK 83 90 - 92 - 2.1/4335=49, 2.1/4338=49...(14) HG13 ILE 68 + HA3 GLY 72 OK 77 97 - 80 - 3.2/4795=13, 2.1/4795=12...(18) HB ILE 68 + HA3 GLY 72 OK 77 89 - 86 - ~5845=24, 2.1/4795=14...(21) HG12 ILE 40 - HA3 GLY 72 OK 32 98 - 33 - 6108/1.8=5, 3.2/4794=5...(11) HB3 ARG 66 - HA3 GLY 72 OK 12 63 - 19 - ~5378=3, ~783=2...(6) HB2 MET 31 - HA3 GLY 72 lone 8 78 - 10 - 6108/1.8=1, 1981/4335=1 HB3 PRO 14 - HA3 GLY 72 lone 5 65 - 7 - ~5492=2, ~5842=1 HB2 GLU 19 - HA3 GLY 72 lone 4 100 - 4 - HB3 GLU 87 - HA3 GLY 72 lone 3 99 - 3 - HB2 GLN 91 - HA3 GLY 72 lone 2 89 - 2 - HB2 MET 11 - HA3 GLY 72 lone 2 60 - 3 - Peak 4800 from cnoeabs.peaks (4.25, 3.95, 45.26 ppm; 4.07 A): 12 out of 44 assignments used, quality = 0.92: HA LEU 64 + HA2 GLY 21 OK 34 95 - 36 - 33/2.9=6, 3.0/4695=4...(13) HA LEU 64 + HA3 GLY 21 OK 34 94 - 36 - 33/2.9=6, 3.0/4695=3...(13) HA GLU 19 + HA3 GLY 18 OK 22 62 - 35 - 3.0/25=12, ~24=10...(7) HA GLU 19 + HA2 GLY 18 OK 21 60 - 35 - 3.0/25=12, ~24=10...(6) HA ALA 77 + HA2 GLY 21 OK 18 93 - 20 - 3.0/349=2, 5494/1.8=2...(12) HA ALA 77 + HA3 GLY 21 OK 18 93 - 20 - 3.0/349=2, 5494=2...(12) HA ALA 20 + HA2 GLY 21 OK 17 93 - 18 - 2.1/6114=6, ~6114=4...(4) HA ALA 20 + HA3 GLY 21 OK 17 93 - 18 - 2.1/6114=6, ~6114=4...(4) HA GLU 19 + HA2 GLY 21 OK 13 97 - 14 - 4.5/6114=3, 33/2.9=3...(4) HA GLU 19 + HA3 GLY 21 OK 13 97 - 13 - 4.5/6114=3, 33/2.9=3...(4) HA ALA 20 + HA3 GLY 18 OK 11 58 - 20 - 5494=4, 5494/1.8=4...(5) HA ALA 20 + HA2 GLY 18 OK 11 56 - 20 - 5494=4, 5494/1.8=4...(5) HA LYS 39 - HA3 GLY 21 lone 10 100 - 10 - 3.6/4308=1, 33/2.9=1 HA LYS 39 - HA2 GLY 21 lone 10 100 - 10 - 3.6/4308=1, 33/2.9=1 HA LYS 75 - HA2 GLY 21 lone 8 100 - 8 - HA LYS 75 - HA3 GLY 21 lone 8 100 - 8 - HA LEU 64 - HA3 GLY 18 poor 8 59 - 14 - 3914/3.0=3, 3.6/4720=2...(6) HA LEU 64 - HA2 GLY 18 poor 8 57 - 14 - 3914/3.0=3, 3.6/4720=2...(6) HA THR 15 - HA3 GLY 21 lone 6 100 - 6 - 1128/3.5=2 HA THR 15 - HA2 GLY 21 lone 6 100 - 6 - 1128/3.5=2 HA LYS 39 - HA3 GLY 18 lone 5 67 - 8 - 3.6/4308=2 HA LYS 39 - HA2 GLY 18 lone 5 64 - 8 - 3.6/4308=2 HB THR 37 - HA3 GLY 21 lone 5 73 - 6 - 2.1/1817=1 HB THR 37 - HA2 GLY 21 lone 5 73 - 6 - HA LYS 83 - HA2 GLY 21 lone 4 100 - 4 - HA LYS 83 - HA3 GLY 21 lone 4 100 - 4 - HB THR 37 - HA3 GLY 18 lone 3 42 - 8 - HB THR 37 - HA2 GLY 18 lone 3 40 - 8 - HA LYS 83 - HA3 GLY 18 lone 2 66 - 3 - 492/3.6=2 HA LYS 83 - HA2 GLY 18 lone 2 64 - 3 - 492/3.6=2 HA ALA 77 - HA3 GLY 18 lone 2 58 - 4 - HA ALA 77 - HA2 GLY 18 lone 2 56 - 4 - HA ALA 12 - HA2 GLY 21 lone 2 97 - 2 - HA ALA 12 - HA3 GLY 21 lone 2 97 - 2 - HA LYS 85 - HA2 GLY 21 lone 2 87 - 2 - HA LYS 75 - HA3 GLY 18 lone 2 67 - 2 - HA LYS 85 - HA3 GLY 21 lone 2 87 - 2 - HA LYS 75 - HA2 GLY 18 lone 2 64 - 2 - HA THR 15 - HA3 GLY 18 lone 2 67 - 2 - HA THR 15 - HA2 GLY 18 lone 1 65 - 2 - HA ALA 12 - HA3 GLY 18 lone 1 61 - 2 - HA ALA 12 - HA2 GLY 18 lone 1 59 - 2 - HA LYS 85 - HA3 GLY 18 lone 1 52 - 1 - HA LYS 85 - HA2 GLY 18 lone 1 50 - 1 - Peak 4801 from cnoeabs.peaks (4.54, 3.79, 50.51 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.83: HA LYS 13 + HD2 PRO 14 OK 71 100 - 71 - 3.8=58, 4802/1.8=16...(9) HA LEU 43 + HD2 PRO 14 OK 42 98 - 43 - 4817=16, 4802/1.8=10...(13) HA PRO 44 - HD2 PRO 14 lone 4 68 - 6 - 4.8/4817=4 Peak 4802 from cnoeabs.peaks (4.52, 3.62, 50.51 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.85: HA LYS 13 + HD3 PRO 14 OK 73 92 - 79 - 3.8=67, 4817/1.8=21...(8) HA LEU 43 + HD3 PRO 14 OK 43 99 - 44 - 4817/1.8=11, 4816=10...(14) Peak 4804 from cnoeabs.peaks (0.86, 2.30, 36.07 ppm; 4.58 A): 6 out of 14 assignments used, quality = 0.70: QD2 LEU 29 + HG3 GLU 25 OK 27 95 - 29 - 4165/1.8=8, ~4165=5...(8) QD1 LEU 62 + HG3 GLU 59 OK 21 62 - 33 - 4639/4.2=12, 4640/4.9=8...(6) QD1 LEU 29 + HG3 GLU 25 OK 18 76 - 24 - 4165/1.8=7, ~4165=6...(7) QG2 ILE 89 + HG3 GLU 25 OK 17 90 - 19 - 4165/1.8=5, 3.2/5513=4...(6) QD2 LEU 64 + HG3 GLU 25 OK 14 95 - 15 - 4165/1.8=4, 5015/5.0=2...(6) QD2 LEU 29 + HG3 GLU 59 OK 12 68 - 17 - ~4642=4, 4640/4.9=3...(6) QD1 LEU 62 - HG3 GLU 25 poor 9 89 - 10 - 4165/1.8=3, 5304=1 QD1 LEU 29 - HG3 GLU 59 poor 9 51 - 18 - 4639/4.2=6, 4642/1.8=4...(5) QD2 LEU 86 - HG3 GLU 25 lone 6 71 - 9 - ~4165=2, 2.1/5304=1 QD2 LEU 64 - HG3 GLU 59 lone 3 68 - 4 - QD2 LEU 86 - HG3 GLU 59 lone 2 47 - 5 - ~4642=1 QD1 LEU 43 - HG3 GLU 25 lone 2 63 - 4 - QG2 ILE 89 - HG3 GLU 59 lone 1 64 - 2 - QD1 LEU 43 - HG3 GLU 59 lone 1 41 - 3 - 5295/4.2=1 Peak 4805 from cnoeabs.peaks (0.86, 4.07, 58.59 ppm; 4.25 A): 12 out of 21 assignments used, quality = 0.93: QD1 LEU 62 + HA ARG 26 OK 32 98 - 32 - 5516/3.0=5, ~5962=5...(12) QD1 LEU 29 + HA ARG 26 OK 28 92 - 31 - 3.1/5348=6, 5516/3.0=5...(8) QD2 LEU 29 + HA ARG 26 OK 27 81 - 33 - 3.1/5348=6, 5349=4...(10) QD1 LEU 29 + HA ARG 71 OK 24 78 - 30 - 3.1/5348=6, 4.8/4184=4...(9) QD1 LEU 62 + HA ARG 71 OK 20 86 - 23 - 2.1/5394=2, 4.0/4677=2...(9) QD2 LEU 29 + HA ARG 71 OK 19 67 - 28 - 3.1/5348=6, 4.8/4184=4...(9) QD1 LEU 29 + HA GLU 25 OK 18 67 - 27 - 5516/3.6=5, 4165/4.1=4...(10) QD2 LEU 29 + HA GLU 25 OK 16 57 - 29 - 4165/4.1=5, 4804/4.1=4...(11) QD2 LEU 64 + HA ARG 26 OK 14 81 - 17 - 5521/3.6=4, 4.4/262=2...(6) QD2 LEU 64 + HA ARG 71 OK 13 67 - 20 - 4.4/262=2, 3.1/5395=2...(8) QD1 LEU 86 + HA ARG 26 OK 11 76 - 14 - 5516/3.0=2, 2.1/5349=2 QG2 ILE 89 + HA ARG 26 OK 10 73 - 14 - 5521/3.6=5, 4.4/883=1 QD1 LEU 62 - HA GLU 25 poor 10 75 - 13 - 5516/3.6=5, 4165/4.1=2 QD2 LEU 64 - HA GLU 25 poor 10 57 - 17 - 4165/4.1=3, 5015/2.9=2...(8) QD1 LEU 86 - HA ARG 71 poor 9 63 - 15 - 5367/2.9=1, 2.1/5349=1...(4) QG2 ILE 89 - HA GLU 25 poor 8 51 - 16 - 4165/4.1=3, 4804/4.1=3...(6) QD1 LEU 86 - HA GLU 25 lone 5 53 - 10 - 5516/3.6=2, 4165/4.1=1 QG2 ILE 89 - HA ARG 71 lone 5 60 - 8 - ~5835=1 HG LEU 51 - HA ARG 26 lone 3 65 - 4 - HG LEU 51 - HA GLU 25 lone 3 45 - 6 - HG LEU 51 - HA ARG 71 lone 2 53 - 4 - Peak 4807 from cnoeabs.peaks (1.44, 4.12, 58.29 ppm; 3.40 A): 2 out of 24 assignments used, quality = 0.54: QB ALA 30 + HA ARG 27 OK 44 100 - 45 - 5388=24, 2.9/5386=6...(7) HG13 ILE 89 + HA ARG 27 OK 17 100 - 18 - 5519/3.0=4, 4.5/409=2...(6) QB ALA 30 - HA GLU 25 poor 9 55 - 17 - 5388=8, 2.9/5387=4...(5) QB ALA 30 - HA ARG 23 poor 8 74 - 11 - 5388=5, 2.9/5386=1 HB3 LEU 43 - HA ARG 27 lone 5 100 - 5 - 5519/3.0=1 HG12 ILE 33 - HA ARG 27 lone 3 100 - 3 - HB3 LEU 57 - HA ARG 27 lone 3 68 - 4 - HG13 ILE 89 - HA ARG 23 lone 3 74 - 3 - HG3 LYS 13 - HA ARG 27 lone 2 93 - 3 - HG13 ILE 89 - HA GLU 25 lone 2 55 - 4 - HG2 LYS 13 - HA ARG 27 lone 2 85 - 2 - HG3 LYS 85 - HA ARG 27 lone 2 97 - 2 - HG3 LYS 13 - HA ARG 23 lone 1 64 - 2 - HG2 LYS 13 - HA ARG 23 lone 1 56 - 2 - HB3 LEU 43 - HA ARG 23 lone 1 73 - 1 - HB3 LEU 43 - HA GLU 25 lone 1 55 - 1 - HG12 ILE 33 - HA ARG 23 lone 1 74 - 1 - HG3 LYS 85 - HA GLU 25 lone 1 50 - 1 - HG12 ILE 33 - HA GLU 25 lone 1 56 - 1 - HG3 LYS 85 - HA ARG 23 lone 1 68 - 1 - HG3 LYS 13 - HA GLU 25 lone 0 47 - 1 - HB3 LEU 57 - HA ARG 23 lone 0 43 - 1 - HB3 LEU 57 - HA GLU 25 lone 0 31 - 1 - HG2 LYS 13 - HA GLU 25 lone 0 41 - 1 - Peak 4813 from cnoeabs.peaks (1.79, 3.79, 50.51 ppm; 4.67 A): 1 out of 15 assignments used, quality = 0.98: HB2 LYS 13 + HD2 PRO 14 OK 98 100 - 98 - 4.8=93, 3.0/4801=27...(10) HB2 ARG 69 - HD2 PRO 14 OK 28 96 - 29 - 4820/1.8=7, ~2801=4...(12) HB2 PRO 34 - HD2 PRO 14 OK 20 97 - 20 - 4820/1.8=3, 1.8/1081=2...(8) HB3 LYS 75 - HD2 PRO 14 OK 14 100 - 14 - 1011/4.8=3, 4820/1.8=3...(6) HB2 LYS 85 - HD2 PRO 14 OK 11 96 - 12 - 468/4.8=2, 991/3.8=2...(4) HB3 LYS 39 - HD2 PRO 14 OK 11 99 - 11 - 4820/1.8=3, 1000/3.8=2...(4) HB3 LYS 73 - HD2 PRO 14 lone 8 95 - 9 - 1011/4.8=2, 1000/3.8=2...(4) HB2 ARG 54 - HD2 PRO 14 lone 6 71 - 9 - 4.6/4581=4, 4561/4631=1 HB2 LEU 57 - HD2 PRO 14 lone 6 73 - 9 - 3.1/4607=3 HB2 LYS 32 - HD2 PRO 14 lone 6 89 - 6 - HB3 LYS 32 - HD2 PRO 14 lone 6 89 - 6 - HB ILE 33 - HD2 PRO 14 lone 6 78 - 7 - 1011/4.8=1 HB2 LYS 83 - HD2 PRO 14 lone 5 98 - 5 - HB3 ARG 84 - HD2 PRO 14 lone 5 96 - 5 - 6058/3.6=1 HB3 ARG 82 - HD2 PRO 14 lone 3 71 - 4 - Peak 4816 from cnoeabs.peaks (3.63, 4.54, 54.13 ppm; 3.10 A): 5 out of 8 assignments used, quality = 0.89: HD3 PRO 14 + HA LYS 13 OK 70 98 - 71 - 3.8=56, 1.8/4801=20...(8) HD3 PRO 14 + HA LEU 43 OK 39 88 - 44 - 4802=14, 1.8/4801=12...(14) HA ILE 40 + HA LEU 43 OK 24 90 - 26 - 4372/3.0=7, 5125/4.3=3...(11) HA ILE 40 + HA LYS 13 OK 11 99 - 12 - 1085/3.8=2, 4819/3.0=2 HA ARG 69 + HA LYS 13 OK 10 100 - 10 - 4819/3.0=2, 1085/3.8=2...(4) HA VAL 65 - HA LEU 43 lone 7 91 - 8 - 4372/3.0=2, 4703/4.1=2 HA VAL 65 - HA LYS 13 lone 5 100 - 5 - 1085/3.8=1 HA ARG 69 - HA LEU 43 lone 4 92 - 4 - 4372/3.0=1 Peak 4817 from cnoeabs.peaks (3.79, 4.54, 54.13 ppm; 3.03 A): 2 out of 4 assignments used, quality = 0.78: HD2 PRO 14 + HA LYS 13 OK 65 97 - 67 - 3.8=52, 1.8/4802=17...(7) HD2 PRO 14 + HA LEU 43 OK 36 87 - 42 - 4801=16, 1.8/4802=10...(13) HA LEU 52 - HA LYS 13 lone 6 97 - 7 - 1091/3.8=1, 5922/3.0=1 HA LEU 52 - HA LEU 43 lone 5 87 - 5 - 5141/3.0=2 Peak 4818 from cnoeabs.peaks (3.62, 1.79, 32.38 ppm; 4.53 A): 2 out of 24 assignments used, quality = 0.97: HD3 PRO 14 + HB2 LYS 13 OK 95 100 - 95 - 4.8=85, 4802/3.0=26...(9) HA ARG 69 + HB3 LYS 73 OK 42 83 - 51 - 2786/1.8=4, 2784/4.0=4...(23) HA ARG 69 - HB3 LYS 75 OK 42 79 - 53 - 2786=5, 3940/4.6=5...(22) HA ILE 40 - HB3 LYS 39 OK 41 82 - 50 - ~129=13, 3.0/130=9...(16) HA ARG 69 - HB2 LYS 13 OK 29 92 - 32 - 4819/1.8=6, 2786=3...(12) HA ARG 69 - HB3 LYS 39 OK 26 89 - 29 - 602/4.4=5, 2786=3...(8) HA ARG 69 - HB2 LYS 85 OK 20 72 - 28 - 2786=3, 3.0/2802=3...(7) HA ILE 40 - HB3 LYS 75 OK 20 72 - 29 - ~129=4, ~3806=4...(12) HA ILE 40 - HB2 LYS 13 OK 20 85 - 24 - 4819/1.8=5, 4816/3.0=3...(8) HD3 PRO 14 - HB3 LYS 75 OK 15 91 - 17 - 4820=3, 4.8/1011=3...(7) HA VAL 65 - HB3 LYS 39 OK 15 86 - 18 - 602/4.4=6, ~268=3...(6) HD3 PRO 14 - HB3 LYS 39 OK 15 99 - 15 - 4820=3, 602/4.4=3...(6) HD3 PRO 14 - HB2 LYS 85 OK 11 84 - 13 - 4820=2, 4.8/468=2...(5) HA VAL 65 - HB2 LYS 13 OK 11 89 - 12 - 4819/1.8=3, 1085/4.8=2...(6) HD3 PRO 14 - HB3 LYS 73 poor 10 94 - 10 - 4.8/1011=2, 3.8/1000=2...(5) HA ILE 40 - HB3 LYS 73 poor 9 76 - 12 - ~4303=1, 3.0/3807=1 HA ARG 69 - HB2 LYS 83 poor 8 76 - 10 - HA ILE 40 - HB2 LYS 85 poor 7 65 - 10 - 3.2/4303=1, 5123/1.8=1 HA VAL 65 - HB3 LYS 75 lone 6 76 - 8 - 4710/4.6=2 HD3 PRO 14 - HB2 LYS 83 lone 5 87 - 6 - 4820=1 HA VAL 65 - HB3 LYS 73 lone 5 80 - 6 - HA ILE 40 - HB2 LYS 83 lone 4 69 - 6 - HA VAL 65 - HB2 LYS 85 lone 2 69 - 4 - HA VAL 65 - HB2 LYS 83 lone 2 73 - 3 - Peak 4819 from cnoeabs.peaks (3.62, 1.68, 32.38 ppm; 4.86 A): 1 out of 4 assignments used, quality = 1.00: HD3 PRO 14 + HB3 LYS 13 OK 100 100 - 100 - 4.8=100 HA ARG 69 - HB3 LYS 13 OK 27 95 - 29 - 2786/1.8=3, 4816/3.0=3...(10) HA ILE 40 - HB3 LYS 13 OK 22 89 - 25 - 4816/3.0=3, 5124/3.0=3...(9) HA VAL 65 - HB3 LYS 13 OK 12 92 - 13 - 1085/4.8=2, 3.2/6106=2...(7) Peak 4820 from cnoeabs.peaks (1.79, 3.62, 50.51 ppm; 3.95 A): 5 out of 16 assignments used, quality = 0.90: HB2 LYS 13 + HD3 PRO 14 OK 80 100 - 80 - 4.8=56, 3.0/4802=22...(9) HB2 ARG 69 + HD3 PRO 14 OK 30 98 - 30 - 2793=5, 1.8/2801=4...(13) HB2 PRO 34 + HD3 PRO 14 OK 13 93 - 14 - 4813/1.8=2, 1.8/1088=2...(4) HB3 LYS 75 + HD3 PRO 14 OK 12 99 - 12 - 1011/4.8=2, 991/3.8=2...(5) HB3 LYS 39 + HD3 PRO 14 OK 10 97 - 11 - 4.4/602=2, 1000/3.8=1...(6) HB2 LYS 85 - HD3 PRO 14 lone 9 98 - 9 - 991/3.8=2, 468/4.8=2...(4) HB3 LYS 73 - HD3 PRO 14 lone 6 90 - 7 - 1011/4.8=1, 1000/3.8=1 HB2 LYS 83 - HD3 PRO 14 lone 4 96 - 4 - HB2 LYS 32 - HD3 PRO 14 lone 4 83 - 4 - HB3 LYS 32 - HD3 PRO 14 lone 4 83 - 4 - HB ILE 33 - HD3 PRO 14 lone 4 71 - 5 - HB3 ARG 84 - HD3 PRO 14 lone 3 98 - 3 - HB2 LEU 57 - HD3 PRO 14 lone 3 65 - 5 - ~4607=2 HB3 ARG 82 - HD3 PRO 14 lone 2 63 - 3 - HB2 LYS 73 - HD3 PRO 14 lone 2 60 - 3 - HB2 ARG 54 - HD3 PRO 14 lone 2 63 - 3 - Peak 4821 from cnoeabs.peaks (1.67, 3.62, 50.51 ppm; 4.82 A): 3 out of 10 assignments used, quality = 0.97: HB3 LYS 13 + HD3 PRO 14 OK 92 92 - 100 - 4.8=100 HD3 LYS 13 + HD3 PRO 14 OK 42 100 - 42 - 5.4/4802=17, 3.5/4820=16...(5) HD2 LYS 13 + HD3 PRO 14 OK 42 100 - 42 - 5.4/4802=17, 3.5/4820=16...(5) HG3 ARG 66 - HD3 PRO 14 OK 23 60 - 38 - 2.8/1088=4, 5907/1.8=4...(20) HD2 LYS 75 - HD3 PRO 14 OK 11 100 - 11 - 1040/3.8=3, 3.5/4820=2...(5) HD3 LYS 75 - HD3 PRO 14 OK 11 100 - 11 - 1040/3.8=3, 3.5/4820=2...(5) HG LEU 29 - HD3 PRO 14 lone 7 99 - 7 - 2.1/5960=2 HB3 GLN 61 - HD3 PRO 14 lone 5 99 - 5 - HG2 ARG 23 - HD3 PRO 14 lone 4 100 - 3 - HB2 ARG 82 - HD3 PRO 14 lone 3 63 - 5 - Peak 4829 from cnoeabs.peaks (8.40, 3.93, 45.09 ppm; 4.45 A): 4 out of 20 assignments used, quality = 1.00: * H GLY 18 + HA2 GLY 18 OK 100 100 - 100 - 3.0=100 H GLY 18 + HA3 GLY 18 OK 100 100 - 100 - 3.0=100 H GLY 21 + HA3 GLY 21 OK 56 56 - 100 - 2.9=100 H GLY 21 + HA2 GLY 21 OK 54 54 - 100 - 2.9=100 H VAL 65 - HA3 GLY 18 OK 17 87 - 19 - 4.0/4722=3, 3.8/4721=3...(7) H VAL 65 - HA2 GLY 18 OK 17 87 - 19 - 4.0/4722=3, 3.8/4721=3...(7) H VAL 65 - HA3 GLY 21 OK 13 52 - 26 - 4720=4, 4720/1.8=4...(10) H VAL 65 - HA2 GLY 21 OK 13 50 - 25 - 4720=4, 4720/1.8=4...(10) H GLY 21 - HA3 GLY 18 lone 8 92 - 8 - 3.6/5494=4 H GLY 21 - HA2 GLY 18 lone 8 92 - 8 - 3.6/5494=4 H GLY 18 - HA3 GLY 21 lone 5 67 - 7 - 4824=1, 3726/4.8=1 H GLY 18 - HA2 GLY 21 lone 5 65 - 7 - 4824=1, 3726/4.8=1 H ARG 17 - HA3 GLY 21 lone 3 42 - 7 - 23/4.8=2 H ARG 17 - HA2 GLY 21 lone 3 40 - 7 - 23/4.8=2 H GLU 87 - HA3 GLY 18 lone 2 83 - 3 - H GLU 87 - HA2 GLY 18 lone 2 83 - 3 - H ARG 17 - HA3 GLY 18 lone 2 73 - 2 - H ARG 17 - HA2 GLY 18 lone 2 73 - 2 - H GLU 87 - HA3 GLY 21 lone 1 49 - 2 - H GLU 87 - HA2 GLY 21 lone 1 47 - 2 - Peak 4835 from cnoeabs.peaks (1.16, 2.59, 40.55 ppm; 5.55 A): 2 out of 6 assignments used, quality = 0.48: QG2 THR 37 + HB3 ASP 24 OK 41 93 - 44 - 4276/1.8=16, 4276=16...(6) HG12 ILE 89 + HB3 ASP 47 OK 13 50 - 25 - ~4442=7, ~4447=5...(7) HG12 ILE 89 - HB3 ASP 24 lone 8 92 - 9 - 2.1/4160=2, 3618/4.5=1, ~5507=1 QG2 THR 88 - HB3 ASP 24 lone 6 97 - 6 - 4037/4.5=2 QG2 THR 37 - HB3 ASP 47 poor 5 51 - 10 - 4276=4, 4754/4752=1 QG2 THR 88 - HB3 ASP 47 lone 2 54 - 3 - Peak 4836 from cnoeabs.peaks (1.77, 3.96, 54.22 ppm; 4.83 A): 4 out of 17 assignments used, quality = 0.99: HB ILE 33 + HA ALA 28 OK 83 100 - 83 - ~4179=30, 3.2/4174=20...(14) HB2 LYS 32 + HA ALA 28 OK 63 100 - 63 - 4.0/3761=8, 2.9/1472=8...(26) HB3 LYS 32 + HA ALA 28 OK 63 100 - 63 - 4.0/3761=8, 2.9/1472=8...(26) HB2 LEU 57 + HA ALA 28 OK 50 99 - 51 - 3.1/4174=13, ~4178=9...(10) HG3 ARG 26 - HA ALA 28 OK 17 73 - 23 - ~4837=4, 4180/2.1=3...(10) HB3 LYS 73 - HA ALA 28 OK 15 100 - 15 - 4.0/320=2, 2.9/4175=2, ~4183=1 HG2 PRO 34 - HA ALA 28 OK 14 95 - 15 - 4860/4174=2, 4180/2.1=1 HB2 LEU 62 - HA ALA 28 OK 13 68 - 20 - 3907/3.6=3, 4.0/247=3...(6) HB3 LYS 75 - HA ALA 28 OK 13 92 - 14 - 4.6/3761=4, 4.0/5851=1 HB2 PRO 34 - HA ALA 28 OK 12 99 - 13 - 1681/4174=1, ~4180=1, ~4837=1 HG3 ARG 71 - HA ALA 28 OK 12 81 - 15 - 5.0/783=2, 4180/2.1=1...(6) HB2 ARG 54 - HA ALA 28 OK 12 99 - 12 - 4.6/4182=3, ~5321=2 HB3 LYS 39 - HA ALA 28 OK 12 97 - 12 - 4.4/4308=2, ~5321=2 HB2 LYS 83 - HA ALA 28 lone 8 98 - 8 - 4.3/1470=2 HB2 LYS 13 - HA ALA 28 lone 6 89 - 6 - 3.0/4175=1 HB3 ARG 82 - HA ALA 28 lone 5 99 - 5 - HB3 ARG 17 - HA ALA 28 lone 3 60 - 6 - Peak 4837 from cnoeabs.peaks (1.89, 1.34, 17.80 ppm; 4.40 A): 5 out of 11 assignments used, quality = 0.89: HB ILE 68 + QB ALA 28 OK 62 100 - 62 - 3.2/5302=30, ~5928=10...(12) HB3 ARG 26 + QB ALA 28 OK 36 96 - 38 - 4.6/5520=11, 3.0/4181=8...(11) HB2 ARG 26 + QB ALA 28 OK 36 95 - 38 - 4.6/5520=11, 3.0/4181=8...(11) HG12 ILE 40 + QB ALA 28 OK 17 96 - 18 - 2779/5302=3, ~4313=2...(7) HB2 ARG 66 + QB ALA 28 OK 14 89 - 15 - 4.6/5303=2, ~4176=2...(4) HB3 PRO 14 - QB ALA 28 lone 8 99 - 8 - 4.0/1473=2, 2779/5302=1 HB3 PRO 34 - QB ALA 28 lone 7 85 - 8 - 2.3/4180=2 HB2 GLU 19 - QB ALA 28 lone 5 89 - 6 - HB2 GLN 91 - QB ALA 28 lone 4 100 - 3 - HB2 MET 11 - QB ALA 28 lone 3 99 - 3 - 4.1/465=2 HB3 GLU 87 - QB ALA 28 lone 3 92 - 4 - Peak 4838 from cnoeabs.peaks (7.71, 1.34, 17.80 ppm; 6.50 A): 3 out of 4 assignments used, quality = 0.94: H MET 31 + QB ALA 28 OK 86 100 - 86 - 5525/3.6=24, 4182/2.1=21...(15) H GLU 50 + QB ALA 28 OK 37 92 - 40 - 5525/3.6=7, 4182/2.1=6...(13) H ASN 42 + QB ALA 28 OK 37 99 - 37 - 5525/3.6=9, 4182/2.1=8...(8) H TYR 55 - QB ALA 28 OK 29 78 - 37 - 4182/2.1=5, 4582/4.9=5...(13) Peak 4839 from cnoeabs.peaks (1.34, 0.84, 23.57 ppm; 4.59 A): 7 out of 14 assignments used, quality = 0.92: QB ALA 28 + QD2 LEU 29 OK 53 100 - 53 - 78/4.8=17, 4177=9...(12) HB2 LEU 51 + QD2 LEU 29 OK 38 90 - 42 - 3.1/4520=6, ~2227=4...(16) HB2 LEU 51 + QD2 LEU 86 OK 34 74 - 46 - 3.1/4520=7, ~2227=5...(22) QB ALA 28 + QD2 LEU 86 OK 26 87 - 30 - 3.6/550=6, 4177=5...(6) HB2 LEU 52 + QD2 LEU 29 OK 24 100 - 25 - 78/4.8=4, 4183/4.0=3...(8) HG3 LYS 32 + QD2 LEU 29 OK 16 98 - 17 - 1594/4.8=5, 4183/4.0=3 HB2 LEU 52 + QD2 LEU 86 OK 12 87 - 14 - 5324/2.1=2, ~4550=2...(4) HG3 LYS 32 - QD2 LEU 86 lone 8 83 - 9 - QG2 THR 58 - QD2 LEU 29 lone 5 71 - 7 - 4.0/4640=3 QB ALA 16 - QD2 LEU 86 lone 4 62 - 7 - QB ALA 12 - QD2 LEU 29 lone 4 100 - 4 - QB ALA 12 - QD2 LEU 86 lone 4 86 - 5 - 3705/4.8=1 QB ALA 16 - QD2 LEU 29 lone 3 78 - 3 - QG2 THR 58 - QD2 LEU 86 lone 1 55 - 2 - Peak 4840 from cnoeabs.peaks (1.16, 0.84, 23.57 ppm; 4.46 A): 2 out of 8 assignments used, quality = 0.47: HG12 ILE 89 + QD2 LEU 29 OK 31 81 - 39 - 3621=6, 2.9/3607=6...(11) HG12 ILE 89 + QD2 LEU 86 OK 23 64 - 36 - 2.1/3635=6, 3621=5...(13) QG2 THR 37 - QD2 LEU 29 lone 8 99 - 9 - 6128/4177=2 QG2 THR 88 - QD2 LEU 86 lone 7 72 - 10 - 3.9/5268=3, 3594/4.0=1 QG2 THR 88 - QD2 LEU 29 lone 7 89 - 8 - 3.9/5268=3 QG2 THR 37 - QD2 LEU 86 lone 4 84 - 5 - 6128/4177=1 QG2 THR 15 - QD2 LEU 29 lone 4 63 - 5 - 1138/4.0=1 QG2 THR 15 - QD2 LEU 86 lone 1 49 - 2 - Peak 4842 from cnoeabs.peaks (1.68, 4.13, 53.99 ppm; 4.71 A): 7 out of 12 assignments used, quality = 0.92: HG LEU 29 + HA ALA 30 OK 70 99 - 71 - 3766/3.0=13, 2.1/4188=10...(19) HB3 LEU 64 + HA ALA 30 OK 25 92 - 27 - 3.1/4188=5, 83/3.0=4...(8) HB3 GLN 61 + HA ALA 30 OK 25 76 - 33 - ~5305=10, 2540/3.6=5...(7) HB3 LYS 13 + HA ALA 30 OK 18 100 - 18 - 83/3.0=3, 3.0/1520=2...(6) HD2 LYS 13 + HA ALA 30 OK 16 89 - 17 - 83/3.0=3, 2.9/1520=2...(6) HD3 LYS 13 + HA ALA 30 OK 16 89 - 17 - 83/3.0=3, 2.9/1520=2...(6) HG2 ARG 23 + HA ALA 30 OK 14 96 - 14 - 1285=3, 83/3.0=2...(5) HG3 ARG 66 - HA ALA 30 poor 10 95 - 10 - ~4194=2, 83/3.0=2, ~5537=1 HD3 LYS 75 - HA ALA 30 lone 5 87 - 6 - 83/3.0=2, ~83=1 HD2 LYS 75 - HA ALA 30 lone 5 87 - 6 - 83/3.0=2, ~83=1 HB2 ARG 82 - HA ALA 30 lone 4 96 - 5 - 83/3.0=1 HG2 ARG 70 - HA ALA 30 lone 2 68 - 3 - 81/3.0=1 Peak 4843 from cnoeabs.peaks (1.74, 1.45, 18.15 ppm; 4.37 A): 8 out of 14 assignments used, quality = 0.91: HB2 LEU 29 + QB ALA 30 OK 57 73 - 78 - 4.6/553=18, 3.0/1522=9...(27) HB2 LEU 62 + QB ALA 30 OK 37 99 - 38 - 3907/2.9=7, ~82=4...(15) HB2 LEU 43 + QB ALA 30 OK 27 90 - 30 - 81/2.9=3, 3.1/5536=3...(12) HG3 ARG 26 + QB ALA 30 OK 18 99 - 18 - 3.0/5537=4, 3.0/5537=4...(5) HG3 ARG 71 + QB ALA 30 OK 18 97 - 18 - 3.8/5388=5, 2.8/5537=3...(4) HB ILE 33 + QB ALA 30 OK 12 63 - 19 - 3.9/574=5, 6119/3.6=3...(8) HB2 LEU 57 + QB ALA 30 OK 11 68 - 16 - 6119/3.6=3, 4.2/228=2...(5) HB2 ARG 84 + QB ALA 30 OK 10 93 - 11 - 81/2.9=2, 3376/4.5=2, 4.0/5539=1 HB3 LYS 85 - QB ALA 30 poor 9 87 - 11 - 81/2.9=1, 3448=1, 6062/4.5=1 HB3 LYS 83 - QB ALA 30 lone 5 76 - 7 - 4.3/5539=1, 81/2.9=1 HB2 ARG 54 - QB ALA 30 lone 5 71 - 7 - 6119/3.6=2, 4.6/3770=2 HG2 PRO 34 - QB ALA 30 lone 5 85 - 6 - HB3 ARG 82 - QB ALA 30 lone 3 71 - 5 - HB3 ARG 17 - QB ALA 30 lone 3 100 - 3 - Peak 4845 from cnoeabs.peaks (0.84, 2.07, 32.66 ppm; 4.41 A): 5 out of 18 assignments used, quality = 0.95: QD2 LEU 64 + HB3 MET 31 OK 67 100 - 67 - 5021/3.0=18, 6121/1.8=16...(14) QD1 LEU 43 + HB3 MET 31 OK 57 97 - 59 - 6121/1.8=12, 4200/3.0=10...(14) QG2 ILE 89 + HB3 MET 31 OK 32 100 - 32 - 6121/1.8=6, 4200/3.0=5...(12) QD2 LEU 29 + HB3 MET 31 OK 30 100 - 30 - 6121/1.8=6, 4192/4.0=5...(7) QD1 LEU 43 + HB3 PRO 44 OK 29 42 - 69 - ~4388=14, 5295/3.0=13...(15) QD2 LEU 86 - HB3 MET 31 OK 15 99 - 15 - 6121/1.8=3, 4200/3.0=2...(5) QD1 ILE 89 - HB3 MET 31 OK 14 57 - 24 - ~6121=3, ~4195=3...(10) QD2 LEU 64 - HB3 PRO 44 OK 13 46 - 28 - 4405/3.0=5, ~5215=3...(9) QD2 LEU 64 - HB VAL 76 poor 10 64 - 15 - 4384/3.0=3, ~6044=2...(6) QD2 LEU 29 - HB3 PRO 44 poor 7 46 - 16 - 4405/3.0=3, ~4924=2...(6) QG2 ILE 89 - HB3 PRO 44 poor 7 47 - 15 - 4405/3.0=3, 4402/3.0=2...(6) QD2 LEU 29 - HB VAL 76 lone 4 64 - 7 - 1511/4.0=1 QD1 LEU 43 - HB VAL 76 lone 4 59 - 7 - QG2 ILE 89 - HB VAL 76 lone 3 65 - 5 - 3612/16037=2 QD1 ILE 89 - HB3 PRO 44 poor 3 21 - 14 - 4405/3.0=2, ~4403=2...(6) QD2 LEU 86 - HB3 PRO 44 lone 3 44 - 6 - 4405/3.0=2, 4402/3.0=1 QD2 LEU 86 - HB VAL 76 lone 2 62 - 3 - QD1 ILE 89 - HB VAL 76 lone 1 30 - 4 - Peak 4846 from cnoeabs.peaks (0.71, 2.07, 32.66 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.96: QD2 LEU 57 + HB3 MET 31 OK 84 100 - 84 - 6120/1.8=21, 4847/3.0=17...(24) QD1 ILE 33 + HB3 MET 31 OK 72 100 - 72 - 6120/1.8=19, 4225/3.0=16...(17) QD2 LEU 57 - HB3 PRO 44 poor 10 46 - 21 - 5954/2.3=5, ~5215=3...(5) QD1 ILE 33 - HB3 PRO 44 poor 8 46 - 18 - 4224/2.3=4, 4669/5931=1...(4) QD2 LEU 57 - HB VAL 76 poor 7 65 - 10 - ~4599=2, ~4598=1 QD1 ILE 33 - HB VAL 76 lone 6 65 - 9 - 4227/3.0=1 Peak 4847 from cnoeabs.peaks (0.71, 2.63, 32.57 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 57 + HG2 MET 31 OK 88 100 - 88 - 4848/1.8=20, 5075/3.3=20...(28) QD1 ILE 33 + HG2 MET 31 OK 81 100 - 81 - 4225/1.8=19, 5075/3.3=17...(22) Peak 4848 from cnoeabs.peaks (0.71, 2.52, 32.57 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 57 + HG3 MET 31 OK 92 100 - 92 - 4602=22, 4847/1.8=21...(28) QD1 ILE 33 + HG3 MET 31 OK 84 99 - 85 - 4847/1.8=20, 4225=18...(27) Peak 4849 from cnoeabs.peaks (2.73, 1.77, 36.30 ppm; 5.34 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 34 + HB ILE 33 OK 100 100 - 100 - 4.8=100 HB2 ASN 80 - HB ILE 33 OK 18 71 - 25 - 4216/3.0=5, 4215/2.1=5...(7) HB3 ASN 80 - HB ILE 33 poor 10 60 - 16 - ~4215=4, ~4216=4...(5) HB2 ASP 46 - HB ILE 33 poor 9 60 - 15 - 4851/3.2=3, 4215/2.1=3...(6) Peak 4850 from cnoeabs.peaks (3.54, 1.77, 36.30 ppm; 5.39 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + HB ILE 33 OK 100 100 - 100 - 4.8=100 HD3 PRO 36 + HB ILE 33 OK 54 63 - 86 - 4.8/5547=27, 4226/3.2=15...(24) Peak 4851 from cnoeabs.peaks (2.72, 0.71, 10.77 ppm; 4.30 A): 2 out of 3 assignments used, quality = 0.94: HD2 PRO 34 + QD1 ILE 33 OK 93 100 - 93 - 4.1/1682=32, 4231=26...(28) HB2 ASN 80 + QD1 ILE 33 OK 14 83 - 16 - 4215/3.2=4, 4216/4.1=3...(7) HB2 ASP 46 - QD1 ILE 33 poor 8 73 - 11 - 1.8/4225=3, 4215/3.2=2...(4) Peak 4852 from cnoeabs.peaks (1.03, 3.89, 56.86 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.97: HG3 PRO 34 + HA ILE 33 OK 87 90 - 96 - 2.3/4216=41, 2.3/4217=35...(30) QD1 ILE 40 + HA ILE 33 OK 77 100 - 77 - 4300/3.2=42, 1690/3.8=12...(20) Peak 4853 from cnoeabs.peaks (0.82, 1.22, 27.27 ppm; 4.07 A): 5 out of 16 assignments used, quality = 0.93: QD1 ILE 89 + HG13 ILE 33 OK 53 93 - 57 - 6122/2.1=7, 2.1/1676=7...(18) QG2 ILE 89 + HG13 ILE 33 OK 50 89 - 57 - 6122/2.1=10, 3616/1.8=6...(21) QD2 LEU 64 + HG13 ILE 33 OK 47 83 - 56 - 6122/2.1=11, 5030=9...(15) QG2 ILE 68 + HG13 ILE 33 OK 29 90 - 32 - ~5376=11, 2.1/4749=4...(11) QD1 LEU 43 + HG13 ILE 33 OK 23 100 - 23 - 6122/2.1=5, 2033/1.8=4...(8) QG2 ILE 68 - HG2 ARG 69 OK 20 51 - 39 - 291/4.7=8, 4751/3.9=7...(12) QG1 VAL 41 - HG2 ARG 69 OK 19 31 - 60 - ~5253=12, 3.2/4342=6...(19) QD2 LEU 29 - HG13 ILE 33 OK 12 83 - 14 - 6122/2.1=3, 5559/4.5=2...(6) QD1 ILE 89 - HG2 ARG 69 poor 8 54 - 14 - 5274/3.0=3, 3634/3.0=2...(4) QD1 LEU 43 - HG2 ARG 69 poor 7 62 - 11 - 4703/3.9=2, 291/4.7=1 QD2 LEU 86 - HG13 ILE 33 lone 7 99 - 7 - 6122/2.1=2 QG1 VAL 41 - HG13 ILE 33 poor 6 60 - 10 - 4.0/142=1, 3.2/4342=1 QG2 ILE 89 - HG2 ARG 69 poor 6 50 - 11 - ~5274=1, ~5821=1, 3613/3.0=1 QD2 LEU 64 - HG2 ARG 69 lone 4 46 - 8 - QD2 LEU 86 - HG2 ARG 69 lone 2 60 - 3 - QD2 LEU 29 - HG2 ARG 69 lone 2 46 - 3 - Peak 4854 from cnoeabs.peaks (3.94, 0.31, 17.04 ppm; 4.19 A): 4 out of 11 assignments used, quality = 0.96: HA THR 37 + QG2 ILE 33 OK 69 100 - 69 - 3.2/4285=29, 5597=22...(14) HA ALA 28 + QG2 ILE 33 OK 59 85 - 70 - 2.1/4179=26, 4174/3.2=14...(16) HA GLN 61 + QG2 ILE 33 OK 43 68 - 63 - 4503/3.2=9, 5.7/5549=8...(18) HA LEU 62 + QG2 ILE 33 OK 39 92 - 43 - 6069/4614=8, 6070/3.2=7...(12) HA3 GLY 21 - QG2 ILE 33 OK 18 96 - 19 - 4229/2.1=2, ~4211=2...(9) HA2 GLY 21 - QG2 ILE 33 OK 18 95 - 19 - 4229/2.1=2, ~4211=2...(9) HA3 GLY 18 - QG2 ILE 33 OK 12 97 - 12 - 4722/4727=2, 4229/2.1=1 HA2 GLY 18 - QG2 ILE 33 OK 12 97 - 12 - 4722/4727=1, 4229/2.1=1...(4) HA GLU 50 - QG2 ILE 33 poor 7 71 - 10 - 4503/3.2=2 HA2 GLY 72 - QG2 ILE 33 lone 5 73 - 7 - 4797/5376=2, 4313/4300=1 HA VAL 76 - QG2 ILE 33 lone 4 60 - 7 - Peak 4857 from cnoeabs.peaks (6.84, 3.54, 50.48 ppm; 5.70 A): 2 out of 8 assignments used, quality = 0.94: HE22 GLN 61 + HD3 PRO 34 OK 83 97 - 85 - 4655=33, 1.7/5764=24...(15) QE TYR 55 + HD3 PRO 34 OK 64 68 - 93 - ~4246=35, ~5565=33...(23) HE22 GLN 61 - HD3 PRO 36 OK 25 42 - 61 - 4655=16, 1.7/5764=15...(15) QE TYR 55 - HD3 PRO 36 OK 11 25 - 46 - 6080/4.8=16, ~4632=7...(12) HE22 GLN 79 - HD3 PRO 34 lone 3 81 - 4 - HD21 ASN 49 - HD3 PRO 34 lone 3 73 - 4 - HD21 ASN 49 - HD3 PRO 36 lone 2 27 - 7 - 6080/4.8=4 HE22 GLN 79 - HD3 PRO 36 lone 1 31 - 3 - Peak 4858 from cnoeabs.peaks (6.84, 2.72, 50.48 ppm; 5.91 A): 2 out of 4 assignments used, quality = 0.93: HE22 GLN 61 + HD2 PRO 34 OK 81 97 - 83 - 4655/1.8=33, ~5764=22...(15) QE TYR 55 + HD2 PRO 34 OK 64 68 - 94 - ~4246=37, ~5565=35...(21) HE22 GLN 79 - HD2 PRO 34 lone 3 81 - 4 - HD21 ASN 49 - HD2 PRO 34 lone 3 73 - 4 - Peak 4859 from cnoeabs.peaks (2.81, 1.76, 26.58 ppm; 5.09 A): 2 out of 3 assignments used, quality = 0.89: HB2 TYR 55 + HG2 PRO 34 OK 87 97 - 91 - 2.5/4246=40, ~5565=28...(22) HB2 ASN 74 + HG2 PRO 34 OK 12 100 - 12 - 2375/4246=3, 5152/4860=1 HB3 ASP 67 - HG2 PRO 34 lone 4 68 - 6 - 4536/4242=2 Peak 4860 from cnoeabs.peaks (0.69, 1.76, 26.58 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 33 + HG2 PRO 34 OK 78 87 - 90 - 4851/2.3=25, 5352/1.8=18...(36) QD2 LEU 57 + HG2 PRO 34 OK 62 78 - 79 - 4603/2.3=24, 4605/2.3=20...(28) Peak 4861 from cnoeabs.peaks (0.71, 1.00, 27.02 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + QD1 LEU 57 OK 100 100 - 100 - 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 84 100 - 84 - 4221=24, 2454/2.1=13...(37) Peak 4862 from cnoeabs.peaks (3.90, 1.76, 26.58 ppm; 4.92 A): 2 out of 6 assignments used, quality = 0.93: HA ILE 33 + HG2 PRO 34 OK 88 92 - 96 - 4216/2.3=37, 4217/2.3=31...(37) HA LEU 51 + HG2 PRO 34 OK 44 97 - 46 - 5142/4246=10, 5566/1.8=7...(13) HB3 SER 22 - HG2 PRO 34 OK 21 97 - 22 - 5566/1.8=4, 5497/2.3=3...(7) HA LEU 62 - HG2 PRO 34 OK 13 83 - 15 - 6069/2465=2, 3.0/719=1...(4) HA2 GLY 18 - HG2 PRO 34 lone 2 73 - 3 - HA3 GLY 18 - HG2 PRO 34 lone 2 71 - 3 - Peak 4863 from cnoeabs.peaks (2.94, 1.76, 26.58 ppm; 5.03 A): 2 out of 10 assignments used, quality = 0.97: HB3 TYR 55 + HG2 PRO 34 OK 93 100 - 93 - 2.5/4246=39, 1.8/4859=33...(21) HB3 PHE 35 + HG2 PRO 34 OK 58 60 - 97 - 2.6/4242=39, ~4243=31...(25) HE2 LYS 32 - HG2 PRO 34 OK 29 93 - 31 - 5567/1.8=4, ~5567=3...(7) HE3 LYS 32 - HG2 PRO 34 OK 28 92 - 31 - 5567/1.8=4, ~5567=3...(7) HE3 LYS 73 - HG2 PRO 34 OK 11 95 - 12 - 5567/1.8=2, ~5567=1 HE2 LYS 73 - HG2 PRO 34 OK 11 93 - 12 - 5567/1.8=2, ~5567=1 HE3 LYS 75 - HG2 PRO 34 lone 6 81 - 7 - HE2 LYS 75 - HG2 PRO 34 lone 6 78 - 7 - HE3 LYS 13 - HG2 PRO 34 lone 3 65 - 5 - HE2 LYS 13 - HG2 PRO 34 lone 3 63 - 5 - Peak 4864 from cnoeabs.peaks (6.83, 1.78, 30.55 ppm; 4.40 A): 3 out of 12 assignments used, quality = 0.93: QE TYR 55 + HB2 PRO 34 OK 75 90 - 83 - ~4246=21, ~5565=20...(17) HE22 GLN 61 + HB2 PRO 34 OK 57 100 - 57 - 4655/3.0=19, ~5764=10...(11) QE TYR 55 + HB2 ARG 54 OK 34 41 - 83 - ~4563=22, ~4634=16...(20) HE22 GLN 61 - HB2 LYS 32 OK 26 65 - 40 - ~6065=7, 1.7/6065=4...(15) HE22 GLN 61 - HB3 LYS 32 OK 26 65 - 40 - ~6065=7, 1.7/6065=4...(15) QE TYR 55 - HB2 LYS 32 OK 17 53 - 33 - 2.2/4247=5, ~4247=3...(15) QE TYR 55 - HB3 LYS 32 OK 17 53 - 33 - 2.2/4247=5, ~4247=3...(15) HE22 GLN 61 - HB2 ARG 54 OK 15 51 - 29 - 5713/4.6=6, 4671/3.0=4...(11) QE TYR 55 - HB3 ARG 82 lone 6 77 - 7 - 2.2/4247=1 HE22 GLN 61 - HB3 ARG 82 lone 3 91 - 3 - QE TYR 55 - HB3 ARG 84 lone 2 57 - 4 - HE22 GLN 61 - HB3 ARG 84 lone 1 70 - 2 - Peak 4865 from cnoeabs.peaks (0.20, 2.91, 38.77 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 51 + HB3 PHE 35 OK 95 100 - 95 - 4530/2.6=40, 2.1/5353=40...(19) Peak 4866 from cnoeabs.peaks (3.69, 2.88, 38.68 ppm; 4.18 A): 2 out of 12 assignments used, quality = 0.96: HA VAL 45 + HB3 PHE 48 OK 93 100 - 93 - 4407/1.8=43, 4418/2.5=26...(20) HD3 PRO 44 + HB3 PHE 48 OK 49 76 - 65 - 4.8/4382=10, 4455/1.8=10...(15) HD2 PRO 56 - HB3 PHE 48 OK 24 100 - 24 - 4455/1.8=5, ~4455=4...(8) HD3 PRO 56 - HB3 PHE 48 OK 24 100 - 24 - 4455/1.8=5, ~4455=4...(8) HA VAL 45 - HB3 PHE 35 poor 8 61 - 13 - 4406=2, 4407/2146=2...(5) HA VAL 45 - HB2 PHE 35 poor 7 55 - 12 - 4418/4549=2, 4406/1.8=2...(5) HD3 PRO 56 - HB2 PHE 35 poor 7 55 - 12 - 4596/1.8=2, ~4596=1...(7) HD2 PRO 56 - HB2 PHE 35 poor 7 55 - 12 - 4596/1.8=2, ~4596=1...(7) HD3 PRO 44 - HB2 PHE 35 poor 5 35 - 15 - 4.8/4382=2, ~5583=2...(7) HD3 PRO 56 - HB3 PHE 35 lone 5 61 - 8 - ~4265=1, ~5573=1, ~4872=1 HD2 PRO 56 - HB3 PHE 35 lone 5 61 - 8 - ~4265=1, ~5573=1, ~4872=1 HD3 PRO 44 - HB3 PHE 35 poor 5 39 - 12 - ~5583=2, ~5573=1...(4) Peak 4867 from cnoeabs.peaks (7.38, 2.12, 32.41 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.83: H LYS 39 + HB2 PRO 36 OK 83 93 - 89 - 4881/1.8=33, 4.6/6126=27...(17) Peak 4868 from cnoeabs.peaks (7.38, 2.10, 27.61 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.92: H LYS 39 + HG3 PRO 36 OK 73 92 - 79 - 4867/2.3=34, 4881/2.3=28...(18) H LYS 39 + HG2 PRO 36 OK 72 92 - 79 - 4867/2.3=34, 4881/2.3=28...(16) H LYS 39 - HG3 PRO 56 poor 7 63 - 12 - 4.9/4894=1, 4.9/4893=1 Peak 4869 from cnoeabs.peaks (1.56, 2.10, 27.61 ppm; 3.99 A): 6 out of 33 assignments used, quality = 1.00: HG2 LYS 39 + HG3 PRO 36 OK 78 96 - 81 - 5208/2.3=14, 4893=13...(32) HG2 LYS 39 + HG2 PRO 36 OK 78 95 - 81 - 5208/2.3=14, 4893=13...(32) HD3 LYS 39 + HG3 PRO 36 OK 58 78 - 74 - 3.0/4893=9, ~5208=9...(31) HD3 LYS 39 + HG2 PRO 36 OK 58 78 - 74 - 3.0/4893=9, ~5208=9...(31) HD2 LYS 39 + HG3 PRO 36 OK 56 76 - 74 - 3.0/4893=9, ~5208=9...(31) HD2 LYS 39 + HG2 PRO 36 OK 56 76 - 74 - 3.0/4893=9, ~5208=9...(31) HB3 ARG 54 - HG3 PRO 36 OK 16 96 - 16 - 4569/2.3=2, 4875/2.3=2...(5) HB3 ARG 54 - HG2 PRO 36 OK 16 95 - 16 - 4569/2.3=2, 4875/2.3=2...(5) HG3 ARG 54 - HG3 PRO 36 OK 15 90 - 16 - 4261/2.3=2, 4262/2.3=2...(8) HG3 ARG 54 - HG2 PRO 36 OK 15 90 - 16 - 4261/2.3=2, 4262/2.3=2...(8) HG LEU 62 - HG3 PRO 36 OK 11 99 - 11 - 5.0/3798=2, 4875/2.3=2...(4) HG LEU 62 - HG2 PRO 36 OK 11 99 - 11 - 5.0/3797=2, 4875/2.3=2...(4) HG2 LYS 39 - HG3 PRO 56 poor 8 67 - 12 - 4893=2, 4893/2.3=2...(4) HB3 LEU 62 - HG3 PRO 36 poor 6 63 - 10 - 4.0/3798=2, ~4875=1 HB3 LEU 62 - HG2 PRO 36 poor 6 63 - 10 - 4.0/3797=2, ~4875=1 HD3 LYS 39 - HG3 PRO 56 lone 5 51 - 9 - 3.0/4893=1, 3.0/4894=1 HD2 LYS 39 - HG3 PRO 56 lone 5 49 - 9 - 3.0/4893=1, 3.0/4894=1 HG LEU 64 - HG3 PRO 36 lone 4 83 - 5 - HG LEU 64 - HG2 PRO 36 lone 4 83 - 5 - HB3 LEU 86 - HG3 PRO 36 lone 4 100 - 4 - HB3 LEU 86 - HG2 PRO 36 lone 4 100 - 4 - HG3 ARG 23 - HG3 PRO 36 lone 2 85 - 3 - HG3 ARG 23 - HG2 PRO 36 lone 2 85 - 3 - HB3 LEU 29 - HG3 PRO 36 lone 2 83 - 2 - HB3 LEU 29 - HG2 PRO 36 lone 2 83 - 2 - HG LEU 62 - HG3 PRO 56 lone 2 72 - 2 - HB3 ARG 54 - HG3 PRO 56 lone 1 67 - 2 - HB3 LEU 86 - HG3 PRO 56 lone 1 74 - 1 - HG3 ARG 54 - HG3 PRO 56 lone 1 61 - 1 - HG LEU 64 - HG3 PRO 56 lone 1 54 - 2 - HB3 LEU 62 - HG3 PRO 56 lone 1 39 - 2 - HB3 LEU 29 - HG3 PRO 56 lone 1 54 - 1 - HG3 ARG 23 - HG3 PRO 56 lone 1 56 - 1 - Peak 4870 from cnoeabs.peaks (1.40, 2.10, 27.61 ppm; 4.66 A): 2 out of 36 assignments used, quality = 0.99: HG3 LYS 39 + HG3 PRO 36 OK 89 100 - 89 - 4894=18, ~5208=16...(29) HG3 LYS 39 + HG2 PRO 36 OK 89 100 - 89 - 4894=18, ~5208=16...(29) HB3 ARG 69 - HG3 PRO 36 OK 33 98 - 34 - ~5253=7, ~5254=5...(11) HB3 ARG 69 - HG2 PRO 36 OK 32 98 - 33 - ~5253=7, ~5254=5...(11) HG3 ARG 69 - HG3 PRO 36 OK 23 65 - 36 - 5253/2.3=8, ~5254=6...(12) HG3 ARG 69 - HG2 PRO 36 OK 23 65 - 35 - 5253/2.3=8, ~5254=6...(12) HG2 LYS 75 - HG3 PRO 36 OK 22 93 - 24 - 4876/2.3=3, ~4876=2...(13) HG3 LYS 75 - HG3 PRO 36 OK 22 93 - 24 - 4876/2.3=3, ~4876=2...(13) HG2 LYS 75 - HG2 PRO 36 OK 22 93 - 23 - 4876/2.3=3, ~4876=2...(14) HG3 LYS 75 - HG2 PRO 36 OK 22 93 - 23 - 4876/2.3=3, ~4876=2...(14) HG3 LYS 39 - HG3 PRO 56 OK 11 74 - 15 - 4894=3, 1.8/4893=2...(5) HG3 LYS 73 - HG3 PRO 36 poor 9 90 - 10 - 4876/2.3=1 HG3 LYS 73 - HG2 PRO 36 poor 9 90 - 10 - 4876/2.3=1 HG2 LYS 13 - HG3 PRO 36 lone 5 83 - 6 - HG2 LYS 13 - HG2 PRO 36 lone 5 83 - 6 - HB3 ARG 69 - HG3 PRO 56 lone 5 70 - 6 - QB ALA 53 - HG3 PRO 36 lone 3 97 - 3 - QB ALA 53 - HG2 PRO 36 lone 3 96 - 3 - HG2 LYS 85 - HG3 PRO 36 lone 3 68 - 4 - HG2 LYS 85 - HG2 PRO 36 lone 3 68 - 4 - HG3 ARG 69 - HG3 PRO 56 lone 2 41 - 6 - QB ALA 78 - HG3 PRO 36 lone 2 90 - 2 - QB ALA 78 - HG2 PRO 36 lone 2 90 - 2 - QB ALA 78 - HG3 PRO 56 lone 2 61 - 3 - HG3 LYS 75 - HG3 PRO 56 lone 2 64 - 3 - HG2 LYS 75 - HG3 PRO 56 lone 2 64 - 3 - QB ALA 77 - HG3 PRO 36 lone 2 63 - 3 - QB ALA 77 - HG2 PRO 36 lone 2 63 - 3 - QB ALA 53 - HG3 PRO 56 lone 2 68 - 2 - HG3 LYS 73 - HG3 PRO 56 lone 2 61 - 3 - QB ALA 20 - HG3 PRO 36 lone 2 68 - 2 - QB ALA 20 - HG2 PRO 36 lone 1 68 - 2 - HG2 LYS 13 - HG3 PRO 56 lone 1 54 - 2 - QB ALA 77 - HG3 PRO 56 lone 1 39 - 2 - QB ALA 20 - HG3 PRO 56 lone 1 43 - 1 - HG2 LYS 85 - HG3 PRO 56 lone 1 43 - 1 - Peak 4871 from cnoeabs.peaks (1.81, 2.10, 27.61 ppm; 4.42 A): 4 out of 30 assignments used, quality = 0.95: HB3 LYS 39 + HG3 PRO 36 OK 57 71 - 81 - ~5208=12, 2.9/4893=12...(28) HB3 LYS 39 + HG2 PRO 36 OK 57 71 - 81 - ~5208=12, 2.9/4893=12...(27) HB2 PRO 34 + HG3 PRO 36 OK 46 63 - 74 - ~1727=8, ~1734=8...(28) HB2 PRO 34 + HG2 PRO 36 OK 46 63 - 74 - ~1727=8, ~1734=8...(28) HB2 ARG 69 - HG3 PRO 36 OK 28 100 - 28 - ~5253=6, ~5254=4...(10) HB2 ARG 69 - HG2 PRO 36 OK 27 100 - 27 - ~5253=6, ~5254=4...(10) HB3 LYS 75 - HG3 PRO 36 OK 16 83 - 19 - 4877/2.3=2, ~4876=2...(11) HB3 LYS 75 - HG2 PRO 36 OK 15 83 - 19 - 4877/2.3=2, ~4876=2...(11) HB2 LYS 73 - HG3 PRO 36 lone 8 92 - 8 - HB2 LYS 73 - HG2 PRO 36 lone 8 92 - 8 - HB3 LYS 39 - HG3 PRO 56 poor 5 45 - 11 - 2.9/4893=2, 2.9/4894=2...(4) HB2 LYS 13 - HG3 PRO 36 lone 5 87 - 5 - HB2 LYS 13 - HG2 PRO 36 lone 4 87 - 5 - HB2 LYS 85 - HG3 PRO 36 lone 4 100 - 4 - HB2 ARG 69 - HG3 PRO 56 lone 4 73 - 6 - HB2 LYS 85 - HG2 PRO 36 lone 4 100 - 4 - HB3 ARG 84 - HG3 PRO 36 lone 2 100 - 2 - HB3 ARG 84 - HG2 PRO 36 lone 2 100 - 2 - HB ILE 89 - HG3 PRO 36 lone 2 90 - 2 - HB ILE 89 - HG2 PRO 36 lone 2 90 - 2 - HB2 LYS 83 - HG3 PRO 36 lone 2 68 - 3 - HB2 LYS 83 - HG2 PRO 36 lone 2 68 - 3 - HB2 LYS 73 - HG3 PRO 56 lone 2 63 - 2 - HB3 LYS 75 - HG3 PRO 56 lone 1 54 - 2 - HB2 LYS 85 - HG3 PRO 56 lone 1 73 - 1 - HB2 LYS 13 - HG3 PRO 56 lone 1 58 - 2 - HB3 ARG 84 - HG3 PRO 56 lone 1 73 - 1 - HB ILE 89 - HG3 PRO 56 lone 1 61 - 1 - HB2 PRO 34 - HG3 PRO 56 lone 1 39 - 2 - HB2 LYS 83 - HG3 PRO 56 lone 1 43 - 1 - Peak 4872 from cnoeabs.peaks (2.87, 2.10, 27.61 ppm; 4.73 A): 2 out of 12 assignments used, quality = 0.96: HB2 PHE 35 + HG3 PRO 36 OK 81 83 - 98 - 4260/2.3=28, ~4263=27...(23) HB2 PHE 35 + HG2 PRO 36 OK 81 83 - 98 - 4260/2.3=28, ~4263=27...(23) HB3 PHE 48 - HG3 PRO 36 OK 15 98 - 15 - 4874/2.3=5, 4260/2.3=4 HB3 PHE 48 - HG2 PRO 36 OK 15 98 - 15 - 4874/2.3=5, 4260/2.3=4 HB3 PHE 48 - HG3 PRO 56 OK 14 70 - 20 - 4866/2.3=4, 4866/2.3=4...(5) HB2 PHE 35 - HG3 PRO 56 OK 12 54 - 22 - 1.8/5572=3, 3.0/4265=2...(13) HB2 ASP 67 - HG3 PRO 36 poor 8 71 - 11 - ~4260=5, ~4874=2, 4874/2.3=2 HB2 ASP 67 - HG2 PRO 36 poor 8 71 - 11 - ~4260=5, ~4874=2, 4874/2.3=2 HB2 ASN 49 - HG2 PRO 36 lone 2 71 - 2 - HB2 ASN 49 - HG3 PRO 36 lone 2 71 - 2 - HB2 ASN 49 - HG3 PRO 56 lone 1 45 - 3 - HB2 ASP 67 - HG3 PRO 56 lone 1 45 - 2 - Peak 4873 from cnoeabs.peaks (2.96, 2.10, 27.61 ppm; 4.47 A): 4 out of 36 assignments used, quality = 0.97: HE2 LYS 39 + HG3 PRO 36 OK 60 97 - 62 - 3.6/4893=10, 3.6/4894=10...(21) HE2 LYS 39 + HG2 PRO 36 OK 59 96 - 62 - 3.6/4893=10, 3.6/4894=10...(21) HE3 LYS 39 + HG3 PRO 36 OK 58 95 - 62 - 3.6/4893=10, 3.6/4894=10...(21) HE3 LYS 39 + HG2 PRO 36 OK 58 94 - 62 - 3.6/4893=10, 3.6/4894=10...(21) HB3 TYR 55 - HG3 PRO 56 OK 31 41 - 74 - ~5292=20, ~4630=12...(11) HE2 LYS 75 - HG3 PRO 36 OK 15 100 - 15 - ~4876=1, 3.5/4870=1...(5) HE3 LYS 75 - HG3 PRO 36 OK 15 99 - 15 - ~4876=1, 3.5/4870=1...(5) HE2 LYS 75 - HG2 PRO 36 OK 15 100 - 15 - ~4876=1, 3.5/4870=1...(5) HE3 LYS 75 - HG2 PRO 36 OK 14 99 - 15 - ~4876=1, 3.5/4870=1...(5) HB3 TYR 55 - HG3 PRO 36 poor 9 65 - 14 - ~4632=4, 5716/4650=3...(6) HB3 TYR 55 - HG2 PRO 36 poor 9 65 - 13 - ~4632=4, 5716/4650=3...(6) HE2 LYS 73 - HG3 PRO 36 lone 6 95 - 7 - HE2 LYS 73 - HG2 PRO 36 lone 6 94 - 6 - HE3 LYS 73 - HG3 PRO 36 lone 6 93 - 6 - HE3 LYS 73 - HG2 PRO 36 lone 6 93 - 6 - HE2 LYS 39 - HG3 PRO 56 lone 6 68 - 8 - 3.6/4893=1, 3.6/4894=1 HE3 LYS 39 - HG3 PRO 56 lone 6 65 - 8 - 3.6/4893=1, 3.6/4894=1 HE2 LYS 13 - HG3 PRO 36 lone 5 100 - 4 - HE3 LYS 13 - HG3 PRO 36 lone 5 100 - 4 - HE2 LYS 13 - HG2 PRO 36 lone 4 100 - 4 - HE3 LYS 13 - HG2 PRO 36 lone 4 100 - 4 - HE3 LYS 32 - HG3 PRO 36 lone 4 96 - 4 - HE3 LYS 32 - HG2 PRO 36 lone 4 95 - 4 - HE2 LYS 32 - HG3 PRO 36 lone 4 95 - 4 - HE2 LYS 32 - HG2 PRO 36 lone 4 94 - 4 - HE3 LYS 32 - HG3 PRO 56 lone 2 67 - 4 - HE2 LYS 32 - HG3 PRO 56 lone 2 65 - 4 - HE2 LYS 73 - HG3 PRO 56 lone 2 65 - 4 - HE3 LYS 73 - HG3 PRO 56 lone 2 64 - 4 - HE2 LYS 75 - HG3 PRO 56 lone 2 73 - 3 - HE3 LYS 75 - HG3 PRO 56 lone 2 72 - 3 - HE3 LYS 13 - HG3 PRO 56 lone 1 74 - 2 - HE2 LYS 13 - HG3 PRO 56 lone 1 74 - 2 - HB3 TYR 81 - HG3 PRO 36 lone 1 95 - 1 - HB3 TYR 81 - HG2 PRO 36 lone 1 94 - 1 - HB3 TYR 81 - HG3 PRO 56 lone 1 65 - 1 - Peak 4874 from cnoeabs.peaks (2.87, 3.57, 50.78 ppm; 3.66 A): 4 out of 10 assignments used, quality = 0.92: HB2 PHE 35 + HD3 PRO 36 OK 85 90 - 94 - 4.8=45, 4260/1.8=24...(19) HB2 PHE 35 + HD3 PRO 34 OK 29 36 - 79 - ~4243=14, 1.8/4257=13...(19) HB3 PHE 48 + HD3 PRO 36 OK 15 95 - 16 - 4260/1.8=3, 1742/3.8=3...(7) HB3 ASP 67 + HD3 PRO 36 OK 11 60 - 19 - 4260/1.8=5, 1737/3.8=4...(5) HB2 ASP 67 - HD3 PRO 36 lone 5 60 - 9 - ~4260=3, 2737/4.8=3 HB3 PHE 48 - HD3 PRO 34 lone 3 39 - 9 - ~4651=2, ~4473=1 HB3 ASP 67 - HD3 PRO 34 lone 1 21 - 5 - HB2 ASN 49 - HD3 PRO 36 lone 1 60 - 1 - HB2 ASP 67 - HD3 PRO 34 lone 1 21 - 3 - HB2 ASN 49 - HD3 PRO 34 lone 0 21 - 1 - Peak 4875 from cnoeabs.peaks (1.56, 2.12, 32.41 ppm; 5.36 A): 3 out of 11 assignments used, quality = 0.99: HG2 LYS 39 + HB2 PRO 36 OK 89 96 - 93 - 4.9/4867=27, 5208/3.0=24...(30) HD3 LYS 39 + HB2 PRO 36 OK 68 78 - 87 - 6.2/4867=21, ~5208=15...(28) HD2 LYS 39 + HB2 PRO 36 OK 66 76 - 87 - 6.2/4867=21, ~5208=15...(28) HG LEU 62 - HB2 PRO 36 OK 28 99 - 28 - 2585/4.0=9, 5.0/3795=7...(7) HB3 ARG 54 - HB2 PRO 36 OK 26 96 - 27 - 4569/3.0=4, 5585/1.8=3...(14) HG3 ARG 54 - HB2 PRO 36 OK 24 90 - 27 - 4261/3.0=3, 5585/1.8=2...(11) HB3 LEU 62 - HB2 PRO 36 OK 15 63 - 24 - 4.0/3795=8, 2578/4.0=6...(6) HG LEU 64 - HB2 PRO 36 poor 10 83 - 12 - 595/4867=3, 2585/4.0=1 HB3 LEU 86 - HB2 PRO 36 lone 8 100 - 8 - HG3 ARG 23 - HB2 PRO 36 lone 5 85 - 6 - HB3 LEU 29 - HB2 PRO 36 lone 4 83 - 5 - Peak 4876 from cnoeabs.peaks (1.40, 2.12, 32.41 ppm; 5.81 A): 2 out of 13 assignments used, quality = 0.96: HG3 LYS 39 + HB2 PRO 36 OK 94 99 - 94 - 4.9/4867=31, ~5208=22...(27) HB3 ARG 69 + HB2 PRO 36 OK 45 100 - 45 - ~5253=9, ~5254=6...(14) HG3 ARG 69 - HB2 PRO 36 OK 37 78 - 48 - 5253/3.0=11, ~5254=8...(14) HG2 LYS 75 - HB2 PRO 36 OK 30 98 - 31 - 5586/1.8=4, 2.7/4877=3...(13) HG3 LYS 75 - HB2 PRO 36 OK 30 98 - 31 - 5586/1.8=4, 2.7/4877=3...(13) HG3 LYS 73 - HB2 PRO 36 OK 13 97 - 14 - 5586/1.8=2, 2.9/4877=1 HG2 LYS 13 - HB2 PRO 36 lone 6 71 - 9 - 3.0/4877=1 HG2 LYS 85 - HB2 PRO 36 lone 6 81 - 8 - QB ALA 53 - HB2 PRO 36 lone 6 99 - 6 - 596/4867=1 QB ALA 77 - HB2 PRO 36 lone 5 76 - 6 - 16041/1780=1 QB ALA 78 - HB2 PRO 36 lone 4 97 - 4 - QB ALA 20 - HB2 PRO 36 lone 3 81 - 4 - HG2 LYS 83 - HB2 PRO 36 lone 3 57 - 5 - Peak 4877 from cnoeabs.peaks (1.80, 2.12, 32.41 ppm; 4.31 A): 4 out of 14 assignments used, quality = 0.95: HB3 LYS 39 + HB2 PRO 36 OK 71 93 - 76 - 4.0/4867=21, ~5208=9...(25) HB2 PRO 34 + HB2 PRO 36 OK 60 89 - 68 - 3.0/1786=7, ~1734=7...(28) HB ILE 33 + HB2 PRO 36 OK 36 63 - 58 - 3.0/1785=8, ~1659=6...(20) HB2 ARG 69 + HB2 PRO 36 OK 28 99 - 28 - ~5253=5, ~5254=3...(10) HB3 LYS 75 - HB2 PRO 36 OK 17 98 - 18 - 2.7/4876=2, 2.7/4876=2...(9) HB3 LYS 73 - HB2 PRO 36 lone 7 85 - 8 - HB2 LYS 13 - HB2 PRO 36 lone 6 99 - 6 - HB2 LYS 85 - HB2 PRO 36 lone 5 99 - 5 - HB2 LYS 73 - HB2 PRO 36 lone 5 68 - 7 - HB3 LYS 32 - HB2 PRO 36 lone 3 76 - 5 - HB2 LYS 32 - HB2 PRO 36 lone 3 76 - 5 - HB2 LYS 83 - HB2 PRO 36 lone 3 92 - 4 - HB3 ARG 84 - HB2 PRO 36 lone 2 99 - 2 - HB ILE 89 - HB2 PRO 36 lone 1 65 - 2 - Peak 4879 from cnoeabs.peaks (8.69, 2.09, 27.61 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.98: H ASP 38 + HG3 PRO 36 OK 86 99 - 87 - 6126/2.3=41, 4291/2.3=36...(12) H ASP 38 + HG2 PRO 36 OK 86 99 - 86 - 6126/2.3=41, 4291/2.3=36...(12) H ASP 38 - HG3 PRO 56 poor 9 73 - 13 - 4.6/115=2, 4.1/4274=2...(4) Peak 4880 from cnoeabs.peaks (8.69, 2.45, 32.41 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.93: H ASP 38 + HB3 PRO 36 OK 92 99 - 92 - 6126/1.8=42, 4291=40...(7) H ASP 38 + HB2 PRO 44 OK 15 55 - 28 - 4291=6, 4.6/114=5...(7) Peak 4881 from cnoeabs.peaks (7.38, 2.45, 32.41 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.84: H LYS 39 + HB3 PRO 36 OK 82 100 - 82 - 4867/1.8=40, 4.6/4291=25...(10) H LYS 39 + HB2 PRO 44 OK 11 55 - 20 - 4867/1782=5, 4.6/4291=4...(8) Peak 4882 from cnoeabs.peaks (0.92, 4.22, 68.34 ppm; 4.48 A): 3 out of 9 assignments used, quality = 0.98: HG12 ILE 68 + HB THR 37 OK 81 100 - 81 - 3.2/4763=18, ~4754=17...(18) QG2 ILE 40 + HB THR 37 OK 79 99 - 80 - 3.0/4282=24, 4310/3.0=13...(19) QD2 LEU 62 + HB THR 37 OK 47 99 - 48 - 2593/3.0=10, 2592/3.8=10...(11) QG2 VAL 41 - HB THR 37 OK 40 95 - 42 - 2.1/4283=7, 4280/3.0=5...(13) QG2 VAL 76 - HB THR 37 OK 11 100 - 11 - 4885/2.1=1, 4280/3.0=1 QG1 VAL 76 - HB THR 37 OK 11 100 - 11 - 4885/2.1=1, 4280/3.0=1 QD2 LEU 43 - HB THR 37 poor 8 76 - 11 - 2.1/5357=1, 4280/3.0=1...(4) QG1 VAL 90 - HB THR 37 lone 3 78 - 3 - QG2 VAL 90 - HB THR 37 lone 3 76 - 3 - Peak 4884 from cnoeabs.peaks (2.11, 4.22, 68.34 ppm; 4.95 A): 4 out of 9 assignments used, quality = 0.96: HB ILE 40 + HB THR 37 OK 79 90 - 87 - 3.2/4282=27, 4309/3.0=15...(20) HB2 PRO 36 + HB THR 37 OK 52 89 - 59 - 6126/4.4=24, ~4269=15...(7) HG3 PRO 36 + HB THR 37 OK 42 96 - 45 - 4879/4.4=11, 4274/2.1=9...(7) HG2 PRO 36 + HB THR 37 OK 40 93 - 43 - 4879/4.4=11, 4274/2.1=9...(6) HB3 PRO 44 - HB THR 37 OK 22 89 - 25 - 115/3.8=6, ~4886=5...(7) HB2 GLU 59 - HB THR 37 OK 10 90 - 11 - 4274/2.1=2, 115/3.8=2...(5) HB3 GLU 59 - HB THR 37 OK 10 90 - 11 - 4274/2.1=2, 115/3.8=2...(5) HG3 PRO 56 - HB THR 37 lone 9 89 - 10 - 115/3.8=2, 4274/2.1=2...(4) HB2 PRO 56 - HB THR 37 lone 8 85 - 9 - 115/3.8=2, 4274/2.1=2, ~4274=2 Peak 4885 from cnoeabs.peaks (0.92, 1.17, 22.48 ppm; 4.14 A): 3 out of 11 assignments used, quality = 0.96: HG12 ILE 68 + QG2 THR 37 OK 75 100 - 75 - 3.2/4754=25, 2.1/4757=20...(16) QG2 ILE 40 + QG2 THR 37 OK 70 95 - 74 - ~4282=13, 3.2/5600=12...(20) QD2 LEU 62 + QG2 THR 37 OK 43 95 - 45 - 2593/3.2=9, 2592/4.0=8...(12) QG2 VAL 41 - QG2 THR 37 OK 33 87 - 38 - 2.1/4284=7, 4882/2.1=4...(13) QG1 VAL 76 - QG2 THR 37 lone 9 100 - 9 - 4882/2.1=1 QG2 VAL 76 - QG2 THR 37 lone 9 100 - 9 - 4882/2.1=1 HG LEU 51 - QG2 THR 37 poor 8 71 - 11 - 4564/4270=4, 3.0/6128=3 QD2 LEU 43 - QG2 THR 37 lone 6 63 - 9 - QG1 VAL 90 - QG2 THR 37 lone 3 89 - 4 - QG2 VAL 90 - QG2 THR 37 lone 3 87 - 4 - QD1 LEU 86 - QG2 THR 37 lone 2 60 - 4 - 2.1/4840=2 Peak 4886 from cnoeabs.peaks (4.59, 3.94, 64.91 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.75: HA PRO 36 + HA THR 37 OK 62 83 - 75 - 112/3.0=37, 4290/3.6=30...(7) HA PRO 44 + HA THR 37 OK 26 81 - 33 - ~115=6, ~114=5...(9) HA ASN 74 + HA THR 37 OK 11 60 - 17 - 4290/3.6=4, 4.4/5588=4...(5) Peak 4887 from cnoeabs.peaks (6.95, 4.28, 56.69 ppm; 5.57 A): 4 out of 4 assignments used, quality = 0.83: HD22 ASN 42 + HA ASP 38 OK 74 93 - 79 - 1.7/4287=24, 4357=20...(17) QE PHE 35 + HA ASP 38 OK 15 99 - 15 - 5122/5592=3, 4289/3.0=2...(6) HZ PHE 35 + HA ASP 38 OK 13 99 - 13 - 5122/5592=2, 4289/3.0=1...(6) HZ PHE 48 + HA ASP 38 OK 10 100 - 10 - 5122/5592=2, 4324/4890=1 Peak 4890 from cnoeabs.peaks (0.93, 4.28, 56.69 ppm; 4.11 A): 6 out of 10 assignments used, quality = 0.87: QG2 VAL 41 + HA ASP 38 OK 49 99 - 50 - 2.1/5355=14, 2.1/4891=11...(9) QG2 ILE 40 + HA ASP 38 OK 43 100 - 43 - 4.0/5592=13, 4.4/4287=10...(11) HG12 ILE 68 + HA ASP 38 OK 33 99 - 34 - 1.8/5355=10, 3.2/4891=7...(10) QD1 LEU 64 + HA ASP 38 OK 18 65 - 27 - 2647/3.6=4, 4.4/3802=3...(11) QD2 LEU 62 + HA ASP 38 OK 11 100 - 11 - 5598/3.0=3, 4.8/5775=3 QD2 LEU 43 + HA ASP 38 OK 11 89 - 12 - 4918/5592=2, 2.1/4891=2...(4) QG2 VAL 76 - HA ASP 38 lone 4 99 - 4 - QG1 VAL 76 - HA ASP 38 lone 4 99 - 4 - QG1 VAL 90 - HA ASP 38 lone 1 63 - 1 - QG2 VAL 90 - HA ASP 38 lone 1 60 - 1 - Peak 4891 from cnoeabs.peaks (0.80, 4.28, 56.69 ppm; 4.73 A): 3 out of 6 assignments used, quality = 0.78: QG1 VAL 41 + HA ASP 38 OK 53 99 - 54 - 2.1/5355=16, 4.0/4287=15...(11) QG2 ILE 68 + HA ASP 38 OK 37 100 - 37 - 3.2/5355=9, 3.2/4890=7...(12) QD1 ILE 68 + HA ASP 38 OK 26 76 - 34 - 2.1/5355=11, 2.1/4890=8...(9) QD1 LEU 43 - HA ASP 38 poor 8 68 - 12 - 2.1/4890=3, 4295/5592=2, ~5598=1 QD1 ILE 89 - HA ASP 38 lone 8 99 - 7 - 5904=2 QD2 LEU 86 - HA ASP 38 lone 3 60 - 4 - Peak 4893 from cnoeabs.peaks (2.09, 1.55, 25.35 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.98: HG2 PRO 36 + HG2 LYS 39 OK 87 100 - 87 - 2.3/5208=20, 4894/1.8=13...(34) HG3 PRO 36 + HG2 LYS 39 OK 87 100 - 87 - 2.3/5208=20, 4894/1.8=13...(34) HB3 PRO 44 - HG2 LYS 39 OK 14 100 - 14 - 4894/1.8=2, 1769/5208=1 HB2 PRO 56 - HG2 LYS 39 OK 14 100 - 13 - 4.0/5747=2, 4894/1.8=2, ~4894=1 HG3 PRO 56 - HG2 LYS 39 OK 12 100 - 12 - 4894/1.8=2, ~4894=1 HB2 GLU 59 - HG2 LYS 39 lone 8 100 - 8 - 4894/1.8=1, ~4894=1 HB3 GLU 59 - HG2 LYS 39 lone 8 100 - 8 - 4894/1.8=1, ~4894=1 HB3 MET 31 - HG2 LYS 39 lone 3 78 - 4 - HB VAL 45 - HG2 LYS 39 lone 1 65 - 2 - Peak 4894 from cnoeabs.peaks (2.09, 1.40, 25.35 ppm; 4.69 A): 2 out of 9 assignments used, quality = 0.98: HG3 PRO 36 + HG3 LYS 39 OK 87 100 - 87 - ~5208=17, 4893/1.8=15...(29) HG2 PRO 36 + HG3 LYS 39 OK 87 100 - 87 - ~5208=17, 4893/1.8=15...(29) HB3 PRO 44 - HG3 LYS 39 OK 15 100 - 15 - 4893/1.8=3, 4895/2.9=1...(4) HG3 PRO 56 - HG3 LYS 39 OK 12 100 - 12 - 4893/1.8=2, ~4893=2...(4) HB2 PRO 56 - HG3 LYS 39 OK 12 100 - 12 - 4893/1.8=2, ~4893=1 HB2 GLU 59 - HG3 LYS 39 lone 9 100 - 9 - 4893/1.8=2, ~4893=1 HB3 GLU 59 - HG3 LYS 39 lone 9 100 - 9 - 4893/1.8=2, ~4893=1 HB3 MET 31 - HG3 LYS 39 lone 3 76 - 4 - HB VAL 45 - HG3 LYS 39 lone 1 63 - 2 - Peak 4895 from cnoeabs.peaks (2.11, 1.85, 32.41 ppm; 4.58 A): 4 out of 18 assignments used, quality = 0.99: HG3 PRO 36 + HB2 LYS 39 OK 78 96 - 82 - ~5208=13, 4868/4.0=11...(29) HG2 PRO 36 + HB2 LYS 39 OK 76 93 - 81 - ~5208=13, 4868/4.0=11...(28) HB2 PRO 36 + HB2 LYS 39 OK 69 89 - 78 - 4867/4.0=21, ~5208=11...(25) HB ILE 40 + HB2 LYS 39 OK 50 90 - 56 - 1929/4.4=17, 5615/5940=6...(19) HB ILE 40 - HB2 LYS 75 OK 18 73 - 25 - 3.9/129=5, ~4303=3...(10) HG3 PRO 36 - HB2 LYS 75 OK 17 79 - 21 - ~4877=2, 2.3/5104=2...(11) HG2 PRO 36 - HB2 LYS 75 OK 16 77 - 21 - ~4877=2, 2.3/5104=2...(12) HB3 PRO 44 - HB2 LYS 39 OK 14 89 - 16 - 4393/4.4=5, 4894/2.9=2...(5) HB2 PRO 36 - HB2 LYS 75 OK 14 72 - 19 - 4877/1.8=3, 4867/593=2...(8) HB2 PRO 56 - HB2 LYS 39 poor 10 85 - 11 - 4893/2.9=2, 4894/2.9=1...(4) HG3 PRO 56 - HB2 LYS 39 poor 10 89 - 11 - 4894/2.9=1, 4893/2.9=1...(5) HB2 GLU 59 - HB2 LYS 39 lone 7 90 - 8 - 4894/2.9=1, 4893/2.9=1 HB3 GLU 59 - HB2 LYS 39 lone 7 90 - 8 - 4894/2.9=1, 4893/2.9=1 HB3 PRO 44 - HB2 LYS 75 lone 2 72 - 3 - HG3 PRO 56 - HB2 LYS 75 lone 2 72 - 3 - HB2 PRO 56 - HB2 LYS 75 lone 2 68 - 3 - HB3 GLU 59 - HB2 LYS 75 lone 1 73 - 2 - HB2 GLU 59 - HB2 LYS 75 lone 1 73 - 2 - Peak 4896 from cnoeabs.peaks (0.94, 1.40, 25.35 ppm; 4.80 A): 4 out of 8 assignments used, quality = 0.94: QD1 LEU 64 + HG3 LYS 39 OK 67 96 - 70 - 2.1/5206=12, 2651/1.8=8...(25) QD2 LEU 43 + HG3 LYS 39 OK 44 100 - 44 - 2.1/5206=7, 4909/3.6=6...(14) QG2 VAL 41 + HG3 LYS 39 OK 42 99 - 43 - 4337/4.1=8, ~5208=6...(12) QG2 ILE 40 + HG3 LYS 39 OK 40 95 - 42 - 4302=7, 4303/2.9=6...(12) QD2 LEU 62 - HG3 LYS 39 OK 22 95 - 23 - 2.1/1876=2, 2596/1.8=1...(8) HG12 ILE 68 - HG3 LYS 39 OK 16 78 - 21 - ~4759=6, ~5974=3...(5) QG2 VAL 76 - HG3 LYS 39 lone 8 78 - 10 - ~5119=1, ~5853=1 QG1 VAL 76 - HG3 LYS 39 lone 8 78 - 10 - ~5119=1, ~5853=1 Peak 4897 from cnoeabs.peaks (3.94, 1.23, 28.19 ppm; 5.29 A): 2 out of 10 assignments used, quality = 0.96: HA THR 37 + HG13 ILE 40 OK 94 100 - 94 - 4279/2.1=32, 4266/4.6=25...(25) HA LEU 62 + HG13 ILE 40 OK 43 93 - 46 - 4310/3.2=8, 4309/2.9=7...(15) HA3 GLY 18 - HG13 ILE 40 OK 39 98 - 40 - 4309/2.9=6, 4311/1.8=6...(11) HA2 GLY 18 - HG13 ILE 40 OK 39 97 - 40 - 4309/2.9=6, 4311/1.8=6...(11) HA ALA 28 - HG13 ILE 40 OK 23 83 - 28 - 4313/2.1=4, 4311/1.8=3...(9) HA2 GLY 72 - HG13 ILE 40 OK 22 71 - 31 - 4313/2.1=4, ~4326=4...(8) HA3 GLY 21 - HG13 ILE 40 OK 21 95 - 22 - 4311/1.8=3, 4309/2.9=3...(9) HA2 GLY 21 - HG13 ILE 40 OK 21 93 - 22 - 4311/1.8=3, 4313/2.1=3...(9) HA GLN 61 - HG13 ILE 40 OK 13 65 - 20 - 4.7/4999=4, 4313/2.1=2...(8) HA GLU 50 - HG13 ILE 40 poor 9 68 - 13 - 4509/4.6=3, 4313/2.1=1...(4) Peak 4899 from cnoeabs.peaks (0.81, 1.23, 28.19 ppm; 5.14 A): 3 out of 6 assignments used, quality = 1.00: QG2 ILE 68 + HG13 ILE 40 OK 98 100 - 98 - 5249/2.1=39, ~5247=25...(41) QG1 VAL 41 + HG13 ILE 40 OK 84 96 - 88 - 4299/2.1=12, 4298/3.2=12...(30) QD1 ILE 68 + HG13 ILE 40 OK 63 65 - 96 - 5247/2.1=26, ~5249=25...(36) QD1 LEU 43 - HG13 ILE 40 OK 44 78 - 56 - 4917/5946=8, 4703/4.0=8...(15) QD1 ILE 89 - HG13 ILE 40 OK 21 100 - 21 - 4298/3.2=3, 4296/4.0=3...(7) QD2 LEU 86 - HG13 ILE 40 lone 6 71 - 8 - 4295/4.6=1 Peak 4900 from cnoeabs.peaks (7.62, 1.03, 14.28 ppm; 5.33 A): 2 out of 3 assignments used, quality = 0.98: H VAL 41 + QD1 ILE 40 OK 92 99 - 94 - 143=33, 4.4/1942=29...(23) HD21 ASN 42 + QD1 ILE 40 OK 79 99 - 80 - 3816/3.0=15, 3815/3.2=15...(18) HD21 ASN 74 - QD1 ILE 40 OK 34 99 - 34 - 3817/2.1=6, 5621/2.1=6...(9) Peak 4901 from cnoeabs.peaks (7.96, 1.03, 14.28 ppm; 5.71 A): 6 out of 8 assignments used, quality = 0.94: H ARG 69 + QD1 ILE 40 OK 67 73 - 92 - 4.1/5249=35, 4.4/5246=25...(23) H ARG 70 + QD1 ILE 40 OK 51 99 - 52 - 3.6/1958=11, 5829/2.1=10...(9) H VAL 76 + QD1 ILE 40 OK 28 100 - 28 - 3.6/4314=4, 814/3.0=4...(10) H ASP 67 + QD1 ILE 40 OK 27 63 - 44 - 4.6/5622=16, 3.9/4305=5...(10) H ALA 63 + QD1 ILE 40 OK 22 85 - 26 - 3.6/4313=5, 259/3.0=4...(7) H LEU 29 + QD1 ILE 40 OK 12 99 - 12 - 3.6/4313=4 H ALA 30 - QD1 ILE 40 poor 8 73 - 11 - 4194/2.1=2, 4326/3.0=2 H LYS 32 - QD1 ILE 40 lone 7 87 - 9 - Peak 4903 from cnoeabs.peaks (1.26, 0.80, 21.38 ppm; 4.42 A): 4 out of 4 assignments used, quality = 0.88: HG2 ARG 69 + QG1 VAL 41 OK 63 87 - 73 - ~5253=14, 5254/3.2=12...(18) HG13 ILE 40 + QG1 VAL 41 OK 49 65 - 75 - 2.1/4299=12, 3.2/4298=10...(23) QG1 VAL 65 + QG1 VAL 41 OK 30 68 - 44 - 3.2/4706=8, 5964=7...(12) HG2 LYS 32 + QG1 VAL 41 OK 12 73 - 16 - 3.0/4345=3, 3.0/4345=3...(7) Peak 4904 from cnoeabs.peaks (1.49, 0.80, 21.38 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.73: HG2 LYS 73 + QG1 VAL 41 OK 58 99 - 59 - 3.8/5626=12, 5256=9...(15) QB ALA 63 + QG1 VAL 41 OK 25 100 - 25 - 4.9/6071=6, 5009/2.1=4...(8) HB3 LEU 57 + QG1 VAL 41 OK 13 89 - 14 - 4599/2.1=3, 1.8/4346=2...(5) HB3 LEU 52 - QG1 VAL 41 lone 6 96 - 6 - ~4553=1 HG3 LYS 13 - QG1 VAL 41 lone 4 60 - 7 - Peak 4907 from cnoeabs.peaks (2.67, 0.94, 22.80 ppm; 3.57 A): 3 out of 4 assignments used, quality = 0.83: HB2 ASP 47 + QD2 LEU 43 OK 75 97 - 77 - 4446=17, 1.8/4389=16...(18) HB3 ASN 49 + QD2 LEU 43 OK 23 100 - 23 - 4914/2.1=5, 4912/3.1=5...(7) HB2 ASP 46 + QD2 LEU 43 OK 10 76 - 14 - 4.6/4918=6, 4.0/5638=5 HB2 ASN 80 - QD2 LEU 43 lone 2 65 - 3 - Peak 4909 from cnoeabs.peaks (2.98, 0.94, 22.80 ppm; 4.75 A): 5 out of 7 assignments used, quality = 0.84: HE3 LYS 39 + QD2 LEU 43 OK 34 99 - 34 - 3.6/4896=5, 3.0/5213=4...(13) HE2 LYS 39 + QD2 LEU 43 OK 33 99 - 34 - 3.6/4896=5, 3.0/5213=4...(13) HB3 TYR 81 + QD2 LEU 43 OK 32 99 - 32 - 2.5/4919=11, ~4370=8...(6) HE2 LYS 13 + QD2 LEU 43 OK 28 87 - 33 - 6.5/2038=7, 3.8/2040=6...(11) HE3 LYS 13 + QD2 LEU 43 OK 28 85 - 32 - 6.5/2038=7, 3.8/2040=6...(11) HE2 LYS 75 - QD2 LEU 43 lone 5 73 - 7 - HE3 LYS 75 - QD2 LEU 43 lone 5 71 - 7 - Peak 4912 from cnoeabs.peaks (2.66, 1.44, 42.41 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.97: HB2 ASP 47 + HB3 LEU 43 OK 95 100 - 95 - 4907/3.1=26, 4442=25...(20) HB3 ASN 49 + HB3 LEU 43 OK 42 95 - 44 - 6129/1.8=10, 4914/3.1=9...(10) Peak 4913 from cnoeabs.peaks (2.90, 0.83, 26.57 ppm; 4.90 A): 3 out of 4 assignments used, quality = 0.94: HB3 PHE 48 + QD1 LEU 43 OK 85 92 - 93 - 2.5/4370=30, 3.0/4468=19...(24) HB2 ASN 49 + QD1 LEU 43 OK 40 100 - 40 - 1.8/4914=12, ~4907=8...(11) HB2 ASP 67 + QD1 LEU 43 OK 31 100 - 31 - 4744/2.1=7, ~4746=4...(9) HB3 PHE 35 - QD1 LEU 43 OK 28 93 - 29 - 4865/4917=11, ~4382=4...(9) Peak 4914 from cnoeabs.peaks (2.66, 0.83, 26.57 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.92: HB2 ASP 47 + QD1 LEU 43 OK 89 99 - 89 - 4907/2.1=24, 4447=19...(19) HB3 ASN 49 + QD1 LEU 43 OK 32 87 - 37 - 4912/3.1=8, 4907/2.1=8...(10) Peak 4916 from cnoeabs.peaks (0.17, 0.94, 22.80 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.64: QD2 LEU 51 + QD2 LEU 43 OK 64 89 - 73 - 4917/2.1=45, 5641/2.1=18...(12) Peak 4917 from cnoeabs.peaks (0.18, 0.83, 26.57 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.57: QD2 LEU 51 + QD1 LEU 43 OK 57 96 - 60 - 4916/2.1=23, 4520=16...(11) Peak 4918 from cnoeabs.peaks (7.26, 0.94, 22.80 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.93: H ASP 47 + QD2 LEU 43 OK 81 97 - 83 - 4.1/4907=25, 4.1/4389=17...(17) H ILE 40 + QD2 LEU 43 OK 59 92 - 65 - 3.0/4388=12, 4295/2.1=9...(18) HE ARG 54 + QD2 LEU 43 OK 17 99 - 17 - 7.4/2037=3, 5.9/4387=2...(7) Peak 4919 from cnoeabs.peaks (7.08, 0.94, 22.80 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 48 + QD2 LEU 43 OK 91 98 - 93 - 4370/2.1=31, 4921/3.1=20...(22) QD TYR 81 + QD2 LEU 43 OK 49 100 - 49 - 4370/2.1=13, 5639/3.1=10...(10) Peak 4921 from cnoeabs.peaks (7.07, 1.72, 42.41 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 48 + HB2 LEU 43 OK 94 100 - 94 - 4370/3.1=30, 2.5/4382=27...(20) QD TYR 81 + HB2 LEU 43 OK 46 96 - 48 - 4370/3.1=12, 5639/1.8=12...(10) Peak 4924 from cnoeabs.peaks (1.71, 3.67, 50.94 ppm; 5.44 A): 1 out of 10 assignments used, quality = 0.97: HB2 LEU 43 + HD3 PRO 44 OK 97 97 - 100 - 4.8=100 HB3 LEU 64 - HD3 PRO 44 OK 42 89 - 48 - 3.1/4405=7, 4925/1.8=7...(15) HB2 LEU 29 - HD3 PRO 44 OK 36 100 - 36 - 4925/1.8=5, 2018/4.8=5...(13) HB3 LYS 85 - HD3 PRO 44 OK 22 99 - 22 - 2018/4.8=4, 621/4.8=4...(7) HB3 LYS 83 - HD3 PRO 44 lone 9 100 - 9 - 621/4.8=1, 2018/4.8=1...(4) HB2 ARG 84 - HD3 PRO 44 lone 8 96 - 8 - 4925/1.8=1, 621/4.8=1 HG2 ARG 70 - HD3 PRO 44 lone 7 99 - 7 - 4925/1.8=1 HG3 ARG 66 - HD3 PRO 44 lone 6 85 - 7 - 4925/1.8=1 HB2 ARG 82 - HD3 PRO 44 lone 2 83 - 3 - HB3 ARG 17 - HD3 PRO 44 lone 2 60 - 3 - Peak 4925 from cnoeabs.peaks (1.71, 4.04, 50.94 ppm; 5.35 A): 2 out of 10 assignments used, quality = 0.96: HB2 LEU 43 + HD2 PRO 44 OK 93 93 - 100 - 4.8=100 HB3 LEU 64 + HD2 PRO 44 OK 45 95 - 48 - 4924/1.8=7, 3.1/4401=5...(16) HB3 LYS 13 - HD2 PRO 44 OK 41 60 - 68 - 3.0/4398=16, ~4399=12...(17) HB2 LEU 29 - HD2 PRO 44 OK 34 99 - 34 - 4924/1.8=6, 2018/4.8=4...(10) HB3 LYS 85 - HD2 PRO 44 OK 20 96 - 21 - 4924/1.8=4, 2018/4.8=3...(6) HB3 LYS 83 - HD2 PRO 44 lone 9 99 - 9 - 4924/1.8=2, 621/4.8=1 HB2 ARG 84 - HD2 PRO 44 lone 7 90 - 8 - 4924/1.8=1, 621/4.8=1 HG2 ARG 70 - HD2 PRO 44 lone 7 100 - 7 - 4924/1.8=1 HG3 ARG 66 - HD2 PRO 44 lone 6 92 - 7 - 4924/1.8=1 HB2 ARG 82 - HD2 PRO 44 lone 3 90 - 3 - Peak 4929 from cnoeabs.peaks (6.03, 1.07, 22.09 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4930 from cnoeabs.peaks (7.27, 3.69, 66.64 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.95: H ASP 47 + HA VAL 45 OK 92 100 - 92 - 919/3.5=36, 4424/3.2=27...(21) HE ARG 54 + HA VAL 45 OK 39 100 - 39 - 5651/3.0=11, 4424/3.2=10...(6) H ILE 40 - HA VAL 45 OK 10 73 - 14 - 4424/3.2=3, 919/3.5=3...(4) Peak 4934 from cnoeabs.peaks (2.37, 4.39, 56.46 ppm; 5.94 A): 2 out of 4 assignments used, quality = 0.84: HG2 GLU 50 + HA ASP 47 OK 77 100 - 77 - 4511=33, 4.9/4506=27...(10) HG3 MET 11 + HA ASP 47 OK 29 85 - 34 - 3.0/963=9, 1.8/973=9...(6) HB VAL 65 - HA ASP 47 lone 7 89 - 8 - 978=2, 655/4506=1 HG2 GLU 59 - HA ASP 47 lone 5 65 - 7 - 4511=2 Peak 4935 from cnoeabs.peaks (0.83, 3.13, 38.68 ppm; 5.23 A): 1 out of 7 assignments used, quality = 0.96: QD1 LEU 43 + HB2 PHE 48 OK 96 100 - 96 - 4370/2.5=32, 4468/3.0=20...(24) QD2 LEU 29 - HB2 PHE 48 OK 35 92 - 38 - 4468/3.0=6, 3.1/4471=6...(12) QG2 ILE 89 - HB2 PHE 48 OK 34 96 - 36 - 3.2/4472=6, 4478/1.8=5...(13) QD2 LEU 64 - HB2 PHE 48 OK 30 92 - 33 - 4468/3.0=5, 4478/1.8=5...(12) QD1 ILE 89 - HB2 PHE 48 OK 27 85 - 32 - 2.1/4472=7, 4624/2.5=4...(11) QD2 LEU 86 - HB2 PHE 48 OK 20 100 - 20 - 4468/3.0=4, 4478/1.8=3...(6) QG2 ILE 68 - HB2 PHE 48 OK 15 81 - 18 - 4624/2.5=6, ~5975=4...(5) Peak 4936 from cnoeabs.peaks (2.05, 3.13, 38.68 ppm; 5.88 A): 4 out of 16 assignments used, quality = 0.99: HG2 PRO 44 + HB2 PHE 48 OK 83 100 - 83 - 2.3/2144=16, 2084/3.0=14...(20) HB VAL 45 + HB2 PHE 48 OK 83 85 - 98 - 3.0/4407=44, 2.1/4409=43...(16) HD3 ARG 69 + HB2 PHE 48 OK 47 90 - 52 - 5823/2.5=18, 4789/4.4=17...(7) HD2 ARG 69 + HB2 PHE 48 OK 47 90 - 52 - 5823/2.5=18, 4789/4.4=17...(7) HG2 PRO 56 - HB2 PHE 48 OK 32 98 - 33 - 2.3/4455=6, 2.3/4455=6...(10) HB3 PRO 56 - HB2 PHE 48 OK 27 92 - 30 - 3.0/4455=6, 3.0/4455=6...(10) HB3 GLU 50 - HB2 PHE 48 OK 17 99 - 17 - 4480/4.3=6, 4457/4.0=4...(4) HB2 GLU 50 - HB2 PHE 48 OK 17 99 - 17 - 4480/4.3=6, 4457/4.0=4...(4) HB VAL 76 - HB2 PHE 48 lone 7 100 - 7 - ~4623=1 HB3 MET 31 - HB2 PHE 48 lone 7 73 - 9 - 4457/4.0=2, 4480/4.3=1 HB2 GLU 25 - HB2 PHE 48 lone 6 99 - 6 - HB3 GLU 25 - HB2 PHE 48 lone 6 99 - 6 - HB3 GLN 91 - HB2 PHE 48 lone 4 99 - 4 - HB3 GLU 19 - HB2 PHE 48 lone 4 99 - 4 - HB2 GLU 87 - HB2 PHE 48 lone 3 92 - 4 - HB VAL 90 - HB2 PHE 48 lone 2 63 - 3 - Peak 4937 from cnoeabs.peaks (7.16, 3.13, 38.68 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 48 + HB2 PHE 48 OK 99 99 - 100 - 4.4=100 Peak 4938 from cnoeabs.peaks (1.39, 2.37, 36.01 ppm; 5.44 A): 4 out of 26 assignments used, quality = 0.79: QB ALA 53 + HG2 GLU 50 OK 51 100 - 52 - 4962/3.7=18, 5699/3.0=12...(8) HB3 ARG 69 + HG2 GLU 50 OK 31 99 - 32 - 4502/3.7=5, 2807/3.0=4...(14) HG3 ARG 69 + HG2 GLU 50 OK 28 96 - 30 - 4502/3.7=5, 2822/3.0=4...(10) QB ALA 20 + HG2 GLU 50 OK 11 97 - 11 - 4.8/2198=1, 4.8/2198=1...(5) QB ALA 77 - HG2 GLU 50 lone 6 95 - 6 - ~350=1 QB ALA 78 - HG2 GLU 50 lone 5 100 - 5 - HG3 LYS 75 - HG2 GLU 50 lone 5 100 - 5 - 4502/3.7=1 HG2 LYS 75 - HG2 GLU 50 lone 5 100 - 5 - 4502/3.7=1 HG3 LYS 73 - HG2 GLU 50 lone 5 100 - 5 - HG3 LYS 39 - HG2 GLU 50 lone 4 90 - 4 - 4502/3.7=1 HG3 LYS 39 - HG2 GLU 59 lone 4 51 - 8 - 4894/3.0=1, 4894/3.0=1, ~4893=1 HG2 LYS 85 - HG2 GLU 50 lone 3 97 - 3 - HG2 LYS 83 - HG2 GLU 50 lone 2 83 - 3 - QB ALA 53 - HG2 GLU 59 lone 2 62 - 3 - HB3 ARG 69 - HG2 GLU 59 lone 2 61 - 3 - QB ALA 16 - HG2 GLU 50 lone 2 60 - 3 - HG3 ARG 69 - HG2 GLU 59 lone 2 56 - 3 - QB ALA 78 - HG2 GLU 59 lone 2 63 - 2 - HG3 LYS 75 - HG2 GLU 59 lone 1 63 - 2 - HG2 LYS 75 - HG2 GLU 59 lone 1 63 - 2 - HG3 LYS 73 - HG2 GLU 59 lone 1 63 - 2 - QB ALA 20 - HG2 GLU 59 lone 1 57 - 2 - QB ALA 77 - HG2 GLU 59 lone 1 55 - 2 - HG2 LYS 85 - HG2 GLU 59 lone 1 57 - 2 - HG2 LYS 83 - HG2 GLU 59 lone 1 45 - 2 - QB ALA 16 - HG2 GLU 59 lone 1 31 - 2 - Peak 4941 from cnoeabs.peaks (7.42, 3.96, 59.12 ppm; 4.15 A): 4 out of 6 assignments used, quality = 0.85: H LEU 64 + HA GLN 61 OK 47 97 - 49 - 5776/3.6=14, 4687=9...(11) H LEU 52 + HA GLU 50 OK 42 98 - 43 - 924/3.6=21, 5687/3.0=14 H LEU 64 + HA GLU 50 OK 31 100 - 31 - 924/3.6=8, 4687=6...(10) H LEU 52 + HA GLN 61 OK 30 93 - 32 - 5776/3.6=8, 5760/3.0=6...(7) H LYS 39 - HA GLU 50 poor 7 63 - 11 - ~5790=3, 4.6/4509=3 H LYS 39 - HA GLN 61 poor 7 57 - 12 - 5605/4.7=2, 4.6/4509=2 Peak 4942 from cnoeabs.peaks (7.54, 2.37, 36.01 ppm; 5.12 A): 3 out of 8 assignments used, quality = 0.79: H LEU 51 + HG2 GLU 50 OK 63 97 - 65 - 4.6/655=26, 192/1.8=19...(7) H ARG 54 + HG2 GLU 50 OK 31 97 - 32 - 3.6/4938=8, 923/4.9=7...(7) H LEU 43 + HG2 GLU 50 OK 18 81 - 22 - 923/4.9=6, 4.6/2197=4...(6) HD21 ASN 80 - HG2 GLU 50 lone 9 100 - 9 - 923/4.9=2, 3855/1.8=1 H LEU 51 - HG2 GLU 59 lone 5 58 - 8 - 4.6/655=1, 4525/4.2=1 H LEU 43 - HG2 GLU 59 lone 3 44 - 7 - 5640/4.2=3, 4.8/2501=2 H ARG 54 - HG2 GLU 59 lone 2 57 - 3 - HD21 ASN 80 - HG2 GLU 59 lone 1 62 - 2 - Peak 4944 from cnoeabs.peaks (7.72, 3.89, 57.93 ppm; 5.33 A): 3 out of 3 assignments used, quality = 0.85: H GLU 50 + HA LEU 51 OK 66 100 - 66 - 187/3.0=28, 5672/3.6=23...(8) H ASN 42 + HA LEU 51 OK 41 99 - 41 - 187/3.0=15, 5687/3.6=9...(9) H MET 31 + HA LEU 51 OK 25 85 - 29 - 5687/3.6=7, 187/3.0=6...(5) Peak 4945 from cnoeabs.peaks (6.81, 3.89, 57.93 ppm; 5.37 A): 2 out of 3 assignments used, quality = 0.96: QE TYR 55 + HA LEU 51 OK 90 100 - 90 - 2.2/5142=39, 4647/4.0=36...(18) HE22 GLN 61 + HA LEU 51 OK 63 89 - 71 - 5763=14, 1.7/5762=13...(21) QE TYR 81 - HA LEU 51 OK 23 65 - 35 - 4648/4.0=9, 5727/4.0=8...(12) Peak 4946 from cnoeabs.peaks (7.68, 0.62, 23.89 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.89: H TYR 55 + QD1 LEU 51 OK 84 95 - 89 - 4.4/4531=32, 5731=25...(16) H GLN 61 + QD1 LEU 51 OK 32 100 - 32 - 5760/4.6=8, 4658/3.1=5...(8) Peak 4948 from cnoeabs.peaks (2.98, 0.19, 24.73 ppm; 5.18 A): 3 out of 7 assignments used, quality = 0.97: HE3 LYS 39 + QD2 LEU 51 OK 77 99 - 78 - 3.6/6087=29, 4.7/5204=20...(15) HE2 LYS 39 + QD2 LEU 51 OK 76 98 - 78 - 3.6/6087=29, 4.7/5204=20...(14) HB3 TYR 81 + QD2 LEU 51 OK 39 99 - 39 - 2.5/4527=16, ~5686=10...(6) HE2 LYS 75 - QD2 LEU 51 OK 19 71 - 27 - 5.0/5204=6, 5.0/5205=5...(8) HE3 LYS 75 - QD2 LEU 51 OK 18 68 - 27 - 5.0/5204=6, 5.0/5205=5...(8) HE2 LYS 13 - QD2 LEU 51 OK 11 85 - 12 - 4909/4916=2, 5.2/5205=2...(4) HE3 LYS 13 - QD2 LEU 51 OK 10 83 - 12 - 4909/4916=2, 5.2/5205=2 Peak 4949 from cnoeabs.peaks (2.05, 0.62, 23.89 ppm; 5.48 A): 8 out of 15 assignments used, quality = 0.89: HB2 GLU 50 + QD1 LEU 51 OK 45 97 - 47 - 4.7/663=34, 5679/4.0=7...(5) HB3 GLU 50 + QD1 LEU 51 OK 45 97 - 47 - 4.7/663=34, 5679/4.0=7...(5) HG2 PRO 44 + QD1 LEU 51 OK 29 100 - 29 - 2084/4469=5, 2.3/4522=5...(9) HB2 GLU 25 + QD1 LEU 51 OK 13 100 - 13 - 5679/4.0=2, 190/4.5=1...(5) HB3 GLU 25 + QD1 LEU 51 OK 13 100 - 13 - 5679/4.0=2, 190/4.5=1...(5) HD3 ARG 69 + QD1 LEU 51 OK 12 83 - 15 - 5823/5686=3, 3.9/6094=2 HD2 ARG 69 + QD1 LEU 51 OK 12 83 - 15 - 5823/5686=3, 3.9/6094=2 HB VAL 76 + QD1 LEU 51 OK 12 99 - 11 - 5679/4.0=1, 189/4.5=1 HB VAL 45 - QD1 LEU 51 poor 10 92 - 10 - 2.1/5177=5, 190/4.5=1 HB3 MET 31 - QD1 LEU 51 lone 6 83 - 7 - HB2 GLU 87 - QD1 LEU 51 lone 5 85 - 6 - 189/4.5=2, 5679/4.0=1 HB3 GLU 19 - QD1 LEU 51 lone 5 96 - 5 - HG2 PRO 56 - QD1 LEU 51 lone 4 95 - 5 - HB3 PRO 56 - QD1 LEU 51 lone 4 85 - 4 - HB3 GLN 91 - QD1 LEU 51 lone 4 97 - 4 - Peak 4950 from cnoeabs.peaks (2.03, 1.32, 41.26 ppm; 5.53 A): 10 out of 32 assignments used, quality = 0.93: HB2 GLU 50 + HB2 LEU 51 OK 47 99 - 47 - 4.7/659=16, 5679/3.0=9...(9) HB3 GLU 50 + HB2 LEU 51 OK 47 99 - 47 - 4.7/659=16, 5679/3.0=9...(9) HG2 PRO 44 + HB2 LEU 51 OK 27 93 - 29 - ~4523=4, 5679/3.0=4...(9) HB VAL 90 + HB2 LEU 51 OK 18 92 - 19 - ~2227=3, 2.1/2220=2...(8) HB2 GLU 25 + HB2 LEU 51 OK 15 83 - 19 - 5679/3.0=2, ~5679=2...(9) HB3 GLU 50 + HB2 LEU 52 OK 15 59 - 26 - 4.7/659=8, 5698/4.6=8...(6) HB2 GLU 50 + HB2 LEU 52 OK 15 59 - 26 - 4.7/659=8, 5698/4.6=8...(6) HB3 GLU 25 + HB2 LEU 51 OK 15 81 - 19 - 5679/3.0=2, ~5679=2...(9) HB VAL 76 + HB2 LEU 51 OK 14 97 - 14 - 5679/3.0=2, 189/3.9=1...(4) HG2 ARG 66 + HB2 LEU 52 OK 12 39 - 30 - ~5970=25, ~4555=3, 4956/3.1=1 HD3 ARG 69 - HB2 LEU 51 lone 10 100 - 10 - 4949/3.1=1, ~4949=1...(4) HD2 ARG 69 - HB2 LEU 51 lone 10 100 - 10 - 4949/3.1=1, ~4949=1...(4) HB2 GLU 87 - HB2 LEU 51 lone 7 100 - 7 - 189/3.9=2, 5679/3.0=2 HG2 PRO 56 - HB2 LEU 51 lone 6 100 - 6 - HB2 GLU 25 - HB2 LEU 52 poor 6 44 - 13 - 3.0/5512=2, 4.0/5511=2 HB3 PRO 56 - HB2 LEU 51 lone 5 100 - 5 - HB3 GLU 19 - HB2 LEU 51 lone 5 100 - 5 - 189/3.9=1 HB3 GLU 25 - HB2 LEU 52 poor 5 42 - 13 - 3.0/5512=2, 4.0/5511=2 HB VAL 76 - HB2 LEU 52 lone 5 55 - 10 - 5698/4.6=2 HB VAL 90 - HB2 LEU 52 lone 5 51 - 9 - ~4951=2, ~4550=2, ~4952=1 HB3 MET 11 - HB2 LEU 52 poor 5 33 - 14 - ~5963=5, ~4955=5, 4.1/465=2 HG2 ARG 66 - HB2 LEU 51 lone 4 76 - 5 - HB3 GLN 91 - HB2 LEU 51 lone 4 99 - 4 - HG2 PRO 44 - HB2 LEU 52 lone 3 52 - 6 - HB3 GLN 91 - HB2 LEU 52 lone 3 59 - 5 - HD2 ARG 69 - HB2 LEU 52 lone 3 60 - 5 - 5698/4.6=2 HD3 ARG 69 - HB2 LEU 52 lone 3 60 - 5 - 5698/4.6=2 HB3 MET 11 - HB2 LEU 51 lone 3 65 - 4 - HB2 GLU 87 - HB2 LEU 52 lone 2 61 - 3 - HB3 GLU 19 - HB2 LEU 52 lone 2 60 - 3 - HB3 PRO 56 - HB2 LEU 52 lone 2 61 - 3 - HG2 PRO 56 - HB2 LEU 52 lone 2 60 - 3 - Peak 4951 from cnoeabs.peaks (0.91, 1.47, 40.92 ppm; 5.16 A): 2 out of 11 assignments used, quality = 0.94: HG LEU 51 + HB3 LEU 52 OK 78 90 - 86 - 4952/3.1=15, 5684/3.9=14...(25) QD2 LEU 62 + HB3 LEU 52 OK 71 78 - 90 - 4680/3.1=34, 5237/3.1=34...(19) HG12 ILE 68 - HB3 LEU 52 OK 24 95 - 25 - ~4758=6, ~4757=5...(7) QD1 LEU 29 - HB3 LEU 52 OK 17 63 - 28 - 197/3.9=4, 4.0/4544=4...(10) QD1 LEU 86 - HB3 LEU 52 OK 15 83 - 19 - 197/3.9=4, 4952/3.1=3...(6) QG2 ILE 40 - HB3 LEU 52 OK 14 78 - 18 - 4.0/3864=8, 4553/3.1=4 QG1 VAL 90 - HB3 LEU 52 OK 13 99 - 13 - 197/3.9=2, 4952/3.1=2...(7) QG2 VAL 90 - HB3 LEU 52 OK 13 98 - 13 - 197/3.9=2, 4952/3.1=2...(7) QG1 VAL 76 - HB3 LEU 52 lone 8 95 - 8 - QG2 VAL 76 - HB3 LEU 52 lone 8 95 - 8 - QG2 VAL 41 - HB3 LEU 52 lone 5 65 - 8 - 2.1/4904=2, 4553/3.1=1 Peak 4952 from cnoeabs.peaks (0.90, 0.51, 22.90 ppm; 3.40 A): 5 out of 9 assignments used, quality = 0.85: HG LEU 51 + QD2 LEU 52 OK 55 100 - 55 - 3.0/2264=7, 4550/3.9=6...(23) QD1 LEU 62 + QD2 LEU 52 OK 53 76 - 70 - 2.1/5237=28, ~4680=17...(18) QD1 LEU 29 + QD2 LEU 52 OK 13 89 - 14 - 197/4.8=1, 4.0/4548=1...(8) QD1 LEU 86 + QD2 LEU 52 OK 11 98 - 11 - 197/4.8=2, 4550/3.9=1 HG12 ILE 68 + QD2 LEU 52 OK 10 73 - 14 - ~4757=3, ~4758=2...(5) QG2 VAL 90 - QD2 LEU 52 lone 6 100 - 6 - QG1 VAL 90 - QD2 LEU 52 lone 6 100 - 6 - QG2 VAL 76 - QD2 LEU 52 lone 3 73 - 4 - QG1 VAL 76 - QD2 LEU 52 lone 3 73 - 4 - Peak 4953 from cnoeabs.peaks (1.60, 0.51, 22.90 ppm; 4.68 A): 2 out of 19 assignments used, quality = 0.98: HB3 LEU 51 + QD2 LEU 52 OK 87 100 - 87 - 4.6/670=28, 1.8/2264=15...(28) HB3 LEU 62 + QD2 LEU 52 OK 86 97 - 89 - 3.1/5237=39, 3.0/5309=26...(22) HB3 LEU 29 - QD2 LEU 52 OK 25 85 - 30 - 3.0/4548=3, 3.1/4952=3...(15) HD2 LYS 32 - QD2 LEU 52 OK 25 97 - 26 - 3.0/2288=3, 5.1/5695=3...(10) HD3 LYS 32 - QD2 LEU 52 OK 25 95 - 26 - 3.0/2288=3, 5.1/5695=3...(10) HG3 ARG 54 - QD2 LEU 52 OK 24 76 - 32 - 3.7/5695=9, 1.8/2288=3...(12) HG LEU 86 - QD2 LEU 52 OK 16 100 - 16 - 2.1/4952=3, 196/4.8=1...(7) HD3 LYS 73 - QD2 LEU 52 OK 15 97 - 15 - 2.9/2289=2, ~2282=1, ~2275=1 HD2 LYS 73 - QD2 LEU 52 OK 15 97 - 15 - 2.9/2289=2, ~2282=1, ~2275=1 HB2 LEU 86 - QD2 LEU 52 OK 13 92 - 14 - 3.1/4952=3, 196/4.8=1 HD2 LYS 39 - QD2 LEU 52 poor 10 90 - 11 - 5942/6096=3, 196/4.8=2 HD3 LYS 39 - QD2 LEU 52 poor 10 89 - 11 - 5942/6096=3, 196/4.8=1 HG3 ARG 70 - QD2 LEU 52 lone 9 95 - 10 - 4.0/5695=3, 2.9/4555=2 HG3 ARG 84 - QD2 LEU 52 lone 5 99 - 5 - HG2 ARG 84 - QD2 LEU 52 lone 5 99 - 5 - HG2 ARG 71 - QD2 LEU 52 lone 2 83 - 3 - HG2 ARG 17 - QD2 LEU 52 lone 2 85 - 2 - HG3 ARG 17 - QD2 LEU 52 lone 2 83 - 2 - HG2 ARG 26 - QD2 LEU 52 lone 2 78 - 2 - Peak 4954 from cnoeabs.peaks (1.75, 0.51, 22.90 ppm; 5.36 A): 3 out of 16 assignments used, quality = 0.99: HB2 LEU 62 + QD2 LEU 52 OK 94 100 - 94 - 3.1/5237=46, 3.0/5309=33...(22) HB2 LEU 57 + QD2 LEU 52 OK 77 81 - 96 - 3.1/4613=43, 3.1/5751=36...(27) HB ILE 33 + QD2 LEU 52 OK 54 76 - 71 - ~5197=13, 4219/3.1=8...(30) HB2 ARG 54 - QD2 LEU 52 OK 43 83 - 52 - 3.0/5695=13, ~5694=7...(18) HG2 PRO 34 - QD2 LEU 52 OK 29 93 - 32 - 4242/6096=12...(7) HB2 LYS 32 - QD2 LEU 52 OK 23 63 - 36 - 3.0/5695=6, 2.9/2288=4...(15) HB3 LYS 32 - QD2 LEU 52 OK 23 63 - 36 - 3.0/5695=6, 2.9/2288=4...(15) HB2 LEU 29 - QD2 LEU 52 OK 20 60 - 33 - 3.0/4548=4, 3.1/4952=4...(13) HB2 LEU 43 - QD2 LEU 52 OK 17 81 - 21 - 4921/5361=7, ~4552=2...(7) HG3 ARG 26 - QD2 LEU 52 lone 6 100 - 6 - 2594/5237=1 HG3 ARG 71 - QD2 LEU 52 lone 5 99 - 5 - 2594/5237=1 HB3 ARG 17 - QD2 LEU 52 lone 5 100 - 5 - HB2 ARG 84 - QD2 LEU 52 lone 5 85 - 6 - HB3 LYS 85 - QD2 LEU 52 lone 4 76 - 5 - HB3 ARG 82 - QD2 LEU 52 lone 4 83 - 4 - HB3 LYS 83 - QD2 LEU 52 lone 2 63 - 3 - Peak 4955 from cnoeabs.peaks (2.38, 0.51, 22.90 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.95: HB VAL 65 + QD2 LEU 52 OK 93 97 - 96 - 2.1/4728=47, 2.1/4726=47...(19) HG3 MET 11 + QD2 LEU 52 OK 28 95 - 30 - 5963=10, 2666/4728=5...(8) HG2 GLU 50 - QD2 LEU 52 OK 10 99 - 10 - 5001/5237=2, 4998/5309=1 HG2 GLU 59 - QD2 LEU 52 poor 8 81 - 10 - 5001/5237=3, 4998/5309=2 Peak 4956 from cnoeabs.peaks (2.00, 0.44, 24.59 ppm; 5.31 A): 7 out of 9 assignments used, quality = 0.93: HG2 ARG 66 + QD1 LEU 52 OK 45 96 - 48 - 1.8/5970=34, 4.1/5694=5...(7) HG3 PRO 14 + QD1 LEU 52 OK 39 93 - 41 - 2.3/2280=12, ~2273=8...(7) HG2 PRO 14 + QD1 LEU 52 OK 39 93 - 41 - 2.3/2280=12, ~2273=8...(7) HB2 LEU 64 + QD1 LEU 52 OK 36 65 - 55 - 4.0/2279=13, ~4552=9...(14) QE MET 31 + QD1 LEU 52 OK 26 98 - 26 - 5082/4.8=10, 5078/3.9=5...(4) HG LEU 43 + QD1 LEU 52 OK 16 97 - 16 - 2.1/4553=3, 4609/4538=3...(4) HB3 MET 11 + QD1 LEU 52 OK 14 99 - 15 - ~5963=6, ~4955=5, 2710/5970=1 HB VAL 90 - QD1 LEU 52 lone 6 83 - 7 - ~4952=1, ~4951=1 HB3 GLN 79 - QD1 LEU 52 lone 4 100 - 4 - Peak 4957 from cnoeabs.peaks (3.92, 0.44, 24.59 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.96: HA LEU 62 + QD1 LEU 52 OK 83 100 - 83 - 4.0/4680=40, 5309/2.1=40...(12) HA LEU 51 + QD1 LEU 52 OK 58 68 - 86 - 3.6/669=42, 3.0/2263=14...(19) HA THR 37 + QD1 LEU 52 OK 43 89 - 48 - 4547/2.1=9, ~6128=6...(17) HA2 GLY 18 - QD1 LEU 52 OK 13 98 - 13 - 4547/2.1=2, 2593/4680=2...(5) HA3 GLY 18 - QD1 LEU 52 OK 13 97 - 13 - 4547/2.1=2, 2593/4680=2...(5) HB3 SER 22 - QD1 LEU 52 OK 12 71 - 16 - 1.8/5694=4, ~5695=4...(4) Peak 4958 from cnoeabs.peaks (1.59, 0.44, 24.59 ppm; 5.56 A): 3 out of 17 assignments used, quality = 1.00: HB3 LEU 62 + QD1 LEU 52 OK 94 100 - 94 - 3.1/4680=47, ~5237=34...(21) HB3 LEU 51 + QD1 LEU 52 OK 90 97 - 93 - 4.6/669=37, 1.8/2263=15...(28) HG LEU 62 + QD1 LEU 52 OK 72 78 - 92 - 2.1/4680=50, ~5237=40...(17) HG3 ARG 54 - QD1 LEU 52 OK 38 96 - 40 - 3.7/5694=9, 5236=5...(14) HB3 LEU 29 - QD1 LEU 52 OK 36 99 - 37 - 3.0/4546=4, ~4545=3...(15) HD2 LYS 32 - QD1 LEU 52 OK 24 78 - 31 - 3.0/2281=3, 4953/2.1=3...(11) HD3 LYS 32 - QD1 LEU 52 OK 23 73 - 31 - 3.0/2281=3, ~2288=3...(10) HG LEU 86 - QD1 LEU 52 OK 19 97 - 19 - ~4952=3, 196/4.8=2...(9) HD2 LYS 73 - QD1 LEU 52 OK 16 78 - 20 - 2.9/2282=2, ~2289=2...(8) HD3 LYS 73 - QD1 LEU 52 OK 16 78 - 20 - 2.9/2282=2, ~2289=2...(8) HD3 LYS 39 - QD1 LEU 52 OK 11 99 - 11 - 196/4.8=2, 4953/2.1=1 HD2 LYS 39 - QD1 LEU 52 OK 11 100 - 11 - 196/4.8=2, 4953/2.1=1 HB2 LEU 86 - QD1 LEU 52 OK 11 68 - 16 - ~4952=2, 4953/2.1=1...(9) HB3 LEU 86 - QD1 LEU 52 poor 9 71 - 13 - ~4952=2, ~4839=1...(7) HG3 ARG 70 - QD1 LEU 52 lone 7 73 - 10 - 4.0/5694=3, ~4555=1, 4953/2.1=1 HG2 ARG 84 - QD1 LEU 52 lone 7 100 - 7 - HG3 ARG 84 - QD1 LEU 52 lone 7 100 - 7 - Peak 4959 from cnoeabs.peaks (7.07, 0.44, 24.59 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.93: QD PHE 48 + QD1 LEU 52 OK 92 100 - 92 - 2.2/4538=41, 5361/2.1=30...(18) QD TYR 81 + QD1 LEU 52 OK 16 98 - 16 - 5361/2.1=5, 4537/2.1=3...(5) Peak 4962 from cnoeabs.peaks (3.97, 1.39, 18.28 ppm; 3.27 A): 3 out of 20 assignments used, quality = 0.55: HA GLU 50 + QB ALA 53 OK 40 98 - 41 - 4549/2.9=9, 4502=9...(12) HA GLN 61 + QB ALA 53 OK 13 99 - 14 - 4509/2.9=4, 4502=3...(4) HA VAL 76 + QB ALA 78 OK 13 58 - 22 - 3984/3.6=4, 3.6/818=3...(7) HA VAL 76 - QB ALA 53 lone 6 100 - 6 - 4549/2.9=1, 3.0/5699=1 HA LYS 32 - QB ALA 53 lone 5 100 - 5 - 4549/2.9=3 HA ALA 28 - QB ALA 53 lone 4 92 - 5 - 4549/2.9=2, ~202=1 HA ARG 66 - QB ALA 53 lone 3 100 - 3 - HA2 GLY 72 - QB ALA 53 lone 2 97 - 2 - HA GLU 50 - QB ALA 78 lone 2 56 - 3 - HA ARG 70 - QB ALA 53 lone 1 60 - 2 - HA2 GLY 21 - QB ALA 53 lone 1 81 - 2 - HA3 GLY 21 - QB ALA 53 lone 1 78 - 2 - HA ARG 66 - QB ALA 78 lone 1 59 - 1 - HA2 GLY 72 - QB ALA 78 lone 1 55 - 2 - HA ALA 28 - QB ALA 78 lone 1 49 - 2 - HA2 GLY 21 - QB ALA 78 lone 1 41 - 2 - HA3 GLY 21 - QB ALA 78 lone 1 40 - 2 - HA GLN 61 - QB ALA 78 lone 1 56 - 1 - HA LYS 32 - QB ALA 78 lone 0 59 - 1 - HA ARG 70 - QB ALA 78 lone 0 29 - 1 - Peak 4967 from cnoeabs.peaks (1.40, 4.01, 57.13 ppm; 4.32 A): 2 out of 13 assignments used, quality = 0.93: QB ALA 53 + HA ARG 54 OK 85 100 - 85 - 4.9=68, 209/3.0=21...(9) HG3 LYS 39 + HA ARG 54 OK 50 98 - 52 - 209/3.0=7, 1.8/2302=7...(19) HG3 LYS 73 - HA ARG 54 OK 19 99 - 19 - 4.9/5987=4, 2.9/5061=3...(6) HG2 LYS 75 - HA ARG 54 OK 13 99 - 13 - 5732/3.6=2, 209/3.0=2...(4) HG3 LYS 75 - HA ARG 54 OK 13 99 - 13 - 5732/3.6=2, 209/3.0=2...(4) HB3 ARG 69 - HA ARG 54 lone 7 100 - 7 - 209/3.0=1, 4.3/767=1, 5732/3.6=1 HG3 ARG 69 - HA ARG 54 lone 6 85 - 7 - 4784/4604=1, 209/3.0=1 HG2 LYS 85 - HA ARG 54 lone 3 87 - 4 - QB ALA 78 - HA ARG 54 lone 3 99 - 3 - HG2 LYS 13 - HA ARG 54 lone 2 63 - 3 - QB ALA 77 - HA ARG 54 lone 2 83 - 2 - QB ALA 20 - HA ARG 54 lone 2 87 - 2 - HG2 LYS 83 - HA ARG 54 lone 1 65 - 2 - Peak 4968 from cnoeabs.peaks (7.33, 1.31, 27.15 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.98: QD TYR 55 + HG2 ARG 54 OK 98 99 - 99 - 687/4.8=38, 5703/4.9=33...(32) Peak 4969 from cnoeabs.peaks (6.80, 1.31, 27.15 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.96: QE TYR 55 + HG2 ARG 54 OK 91 96 - 95 - 2.2/4968=36, ~4563=26...(21) QE TYR 81 + HG2 ARG 54 OK 60 90 - 67 - ~4684=15, 4970/3.0=12...(13) HE22 GLN 61 - HG2 ARG 54 OK 31 63 - 50 - 5713/4.8=8, 1.7/4668=6...(16) Peak 4970 from cnoeabs.peaks (6.80, 1.55, 30.94 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.96: QE TYR 55 + HB3 ARG 54 OK 90 95 - 95 - 2.2/4563=41, ~4561=23...(21) QE TYR 81 + HB3 ARG 54 OK 59 92 - 65 - 2.2/4684=22, 4562/1.8=14...(12) HE22 GLN 61 - HB3 ARG 54 OK 25 60 - 42 - 5713/4.6=8, 4969/3.0=6...(15) Peak 4971 from cnoeabs.peaks (3.70, 7.34, 134.10 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + QD TYR 55 OK 100 100 - 100 - 4.6=100 HD3 PRO 56 + QD TYR 55 OK 100 100 - 100 - 4.6=100 HA VAL 45 - QD TYR 55 OK 23 100 - 23 - ~4586=5, ~5149=4...(6) HD3 PRO 44 - QD TYR 55 lone 3 65 - 4 - Peak 4972 from cnoeabs.peaks (6.94, 2.80, 40.22 ppm; 4.61 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + HB2 TYR 55 OK 97 100 - 97 - 4572=42, 4658/2.5=41...(20) HZ PHE 35 + HB2 TYR 55 OK 87 100 - 87 - 2.2/4572=34, ~4658=26...(17) HZ PHE 48 - HB2 TYR 55 OK 22 99 - 22 - 4628/2.5=4, 4974/3.8=4...(8) HD22 ASN 42 - HB2 TYR 55 OK 12 100 - 12 - 4975/1.8=2, 4974/3.8=2...(4) Peak 4975 from cnoeabs.peaks (6.93, 2.94, 40.22 ppm; 5.25 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + HB3 TYR 55 OK 97 98 - 98 - 2.2/5716=46, 4658/2.5=46...(23) HZ PHE 35 + HB3 TYR 55 OK 91 97 - 93 - 3.8/5716=37, ~4658=33...(20) HZ PHE 48 - HB3 TYR 55 OK 27 96 - 28 - 4534/5716=6, 4628/2.5=5...(9) HD22 ASN 42 - HB3 TYR 55 OK 17 100 - 17 - 4974/3.8=3, 4972/1.8=3...(6) Peak 4976 from cnoeabs.peaks (6.93, 7.34, 134.10 ppm; 5.89 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD TYR 55 OK 97 98 - 99 - 2.2/4629=50, 4658=48...(23) HZ PHE 35 + QD TYR 55 OK 94 97 - 96 - 2.2/4658=49, 3.8/4629=46...(20) HZ PHE 48 - QD TYR 55 OK 39 96 - 41 - 4534/4629=7, 4597/4665=5...(13) HD22 ASN 42 - QD TYR 55 OK 20 100 - 20 - 4975/2.5=3, 4974/4.4=3...(6) Peak 4977 from cnoeabs.peaks (4.89, 3.70, 50.06 ppm; 3.14 A): 2 out of 2 assignments used, quality = 0.97: HA TYR 55 + HD3 PRO 56 OK 84 98 - 85 - 3.8=58, 4576/1.8=17...(14) HA TYR 55 + HD2 PRO 56 OK 84 98 - 85 - 3.8=58, 4576/1.8=17...(14) Peak 4981 from cnoeabs.peaks (3.93, 1.77, 44.00 ppm; 5.08 A): 2 out of 8 assignments used, quality = 0.95: HA LEU 62 + HB2 LEU 57 OK 89 97 - 91 - 6069/3.1=38, 3.0/4618=19...(25) HA THR 37 + HB2 LEU 57 OK 58 100 - 58 - 4279/3.1=16, 3.0/4618=12...(12) HA ALA 28 - HB2 LEU 57 OK 35 73 - 48 - 4174/3.1=11, ~4178=10...(10) HA3 GLY 18 - HB2 LEU 57 OK 12 100 - 12 - 4608/3.1=2, ~4608=1, 4610/1.8=1 HA2 GLY 18 - HB2 LEU 57 OK 12 99 - 12 - 4608/3.1=2, ~4608=1, 4610/1.8=1 HA3 GLY 21 - HB2 LEU 57 poor 10 89 - 11 - 4150=1, 1.8/4150=1...(4) HA2 GLY 21 - HB2 LEU 57 poor 9 87 - 11 - 4150=1, 1.8/4150=1...(4) HA2 GLY 72 - HB2 LEU 57 lone 5 60 - 9 - 3.6/788=2, 3.0/5841=1 Peak 4982 from cnoeabs.peaks (1.56, 1.77, 44.00 ppm; 4.05 A): 7 out of 13 assignments used, quality = 0.93: HG LEU 62 + HB2 LEU 57 OK 56 100 - 56 - 5.0/4618=8, ~4599=8...(16) HB3 LEU 62 + HB2 LEU 57 OK 49 73 - 66 - ~6069=12, 4.0/4618=10...(21) HB3 ARG 54 + HB2 LEU 57 OK 27 90 - 30 - 5325/3.1=3, 4983/1.8=3...(16) HG LEU 64 + HB2 LEU 57 OK 27 73 - 37 - ~5025=6, ~5026=5...(14) HG3 ARG 54 + HB2 LEU 57 OK 27 96 - 28 - 4983/1.8=3, 4.8/212=3...(13) HG2 LYS 39 + HB2 LEU 57 OK 15 90 - 17 - 5325/3.1=2, 5747/3.8=2...(5) HD3 LYS 39 + HB2 LEU 57 OK 10 87 - 11 - 4983/1.8=2, ~5325=1, ~4983=1 HD2 LYS 39 - HB2 LEU 57 poor 10 85 - 11 - 4983/1.8=2, ~5325=1, ~4983=1 HB3 LEU 86 - HB2 LEU 57 lone 9 100 - 9 - 3.1/4598=2, 5747/3.8=1 HB3 LEU 29 - HB2 LEU 57 lone 8 90 - 9 - 4983/1.8=2, 3.1/4598=1 HG3 ARG 23 - HB2 LEU 57 lone 3 76 - 4 - HG3 ARG 84 - HB2 LEU 57 lone 1 60 - 2 - HG2 ARG 84 - HB2 LEU 57 lone 1 60 - 2 - Peak 4983 from cnoeabs.peaks (1.57, 1.47, 44.00 ppm; 4.29 A): 9 out of 13 assignments used, quality = 0.95: HB3 LEU 62 + HB3 LEU 57 OK 58 83 - 71 - ~6069=14, 4.0/4619=11...(22) HG LEU 62 + HB3 LEU 57 OK 55 100 - 56 - 2.1/4599=12, 5.0/4619=10...(16) HG LEU 64 + HB3 LEU 57 OK 26 63 - 42 - ~5025=6, ~5026=6...(15) HG3 ARG 54 + HB3 LEU 57 OK 25 99 - 25 - 4982/1.8=5, ~4982=2...(9) HB3 ARG 54 + HB3 LEU 57 OK 21 83 - 26 - 4982/1.8=5, 5325/3.1=3...(12) HG2 LYS 39 + HB3 LEU 57 OK 12 83 - 14 - 4982/1.8=3, 5325/3.1=2 HD3 LYS 39 + HB3 LEU 57 OK 11 93 - 12 - 4982/1.8=2, ~5325=2, ~4982=1 HB3 LEU 29 + HB3 LEU 57 OK 11 96 - 11 - 4.0/5534=1, 4982/1.8=1 HD2 LYS 39 + HB3 LEU 57 OK 11 92 - 12 - 4982/1.8=2, ~5325=2, ~4982=1 HB3 LEU 86 - HB3 LEU 57 lone 10 100 - 10 - 5747/3.8=2, 4982/1.8=2, ~4598=1 HG3 ARG 23 - HB3 LEU 57 lone 3 65 - 4 - HG3 ARG 84 - HB3 LEU 57 lone 2 71 - 2 - HG2 ARG 84 - HB3 LEU 57 lone 2 71 - 2 - Peak 4985 from cnoeabs.peaks (1.65, 0.71, 23.03 ppm; 4.13 A): 3 out of 13 assignments used, quality = 0.92: HB3 GLN 61 + QD2 LEU 57 OK 88 96 - 92 - 4663=25, 1.8/4662=19...(24) HD3 LYS 13 + QD2 LEU 57 OK 16 87 - 18 - 2.9/2459=2, 2.9/4604=2...(5) HD2 LYS 13 + QD2 LEU 57 OK 16 87 - 18 - 2.9/2459=2, 2.9/4604=2...(5) HD2 LYS 75 - QD2 LEU 57 poor 10 89 - 11 - 2.9/4604=1, 2.9/4604=1 HD3 LYS 75 - QD2 LEU 57 poor 10 89 - 11 - 2.9/4604=1, 2.9/4604=1 HG LEU 29 - QD2 LEU 57 lone 6 65 - 9 - 249/4673=1 HG2 ARG 23 - QD2 LEU 57 lone 4 76 - 5 - HG3 ARG 27 - QD2 LEU 57 lone 3 92 - 3 - HG2 ARG 27 - QD2 LEU 57 lone 3 90 - 3 - HG2 ARG 26 - QD2 LEU 57 lone 2 68 - 3 - HG2 ARG 71 - QD2 LEU 57 lone 2 63 - 2 - HG3 ARG 17 - QD2 LEU 57 lone 1 63 - 2 - HG2 ARG 17 - QD2 LEU 57 lone 1 60 - 2 - Peak 4986 from cnoeabs.peaks (1.35, 1.00, 27.02 ppm; 4.52 A): 2 out of 9 assignments used, quality = 0.94: HB2 LEU 52 + QD1 LEU 57 OK 89 97 - 92 - 3.1/4613=37, 3.0/4607=29...(22) QB ALA 28 + QD1 LEU 57 OK 50 99 - 51 - 4178/2.1=15, ~4174=10...(15) HB2 LEU 51 - QD1 LEU 57 OK 28 71 - 40 - 3.1/5177=10, ~4606=5...(13) HG3 LYS 32 - QD1 LEU 57 OK 17 87 - 19 - 5750/2.1=2, 2.9/2465=2...(8) QB ALA 12 - QD1 LEU 57 lone 3 93 - 3 - HG3 ARG 69 - QD1 LEU 57 lone 3 57 - 5 - QB ALA 77 - QD1 LEU 57 lone 2 60 - 4 - 3.6/2463=2 QB ALA 16 - QD1 LEU 57 lone 2 95 - 2 - HG2 LYS 83 - QD1 LEU 57 lone 2 78 - 2 - Peak 4987 from cnoeabs.peaks (1.21, 1.00, 27.02 ppm; 3.52 A): 4 out of 7 assignments used, quality = 0.99: HG13 ILE 33 + QD1 LEU 57 OK 82 99 - 82 - 2.1/4221=21, 3.2/4614=14...(32) HG LEU 52 + QD1 LEU 57 OK 70 89 - 79 - 2.1/4613=31, 2.1/5154=15...(20) QG2 VAL 65 + QD1 LEU 57 OK 65 100 - 65 - 4725/2.1=17, 2.1/4707=15...(16) QG1 VAL 65 + QD1 LEU 57 OK 48 83 - 58 - 2.1/4707=15, 4729/2.1=12...(15) HG13 ILE 40 - QD1 LEU 57 OK 11 85 - 13 - 4611/2.1=2, ~5954=2...(4) HG2 ARG 69 - QD1 LEU 57 lone 3 63 - 4 - QG2 THR 15 - QD1 LEU 57 lone 2 81 - 2 - Peak 4988 from cnoeabs.peaks (7.45, 0.71, 23.03 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.96: HE21 GLN 61 + QD2 LEU 57 OK 88 97 - 90 - 1.7/4672=25, 3.5/5955=24...(23) H LEU 52 + QD2 LEU 57 OK 68 85 - 81 - 4.8/5751=26, ~4607=24...(19) H LEU 64 - QD2 LEU 57 OK 34 60 - 57 - 4.0/5025=14, 4.0/5026=13...(16) HE21 GLN 79 - QD2 LEU 57 lone 4 63 - 6 - ~4498=1 Peak 4989 from cnoeabs.peaks (7.32, 0.71, 23.03 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.79: QD TYR 55 + QD2 LEU 57 OK 79 81 - 98 - 3.7/6132=35, 2.5/4587=27...(30) Peak 4990 from cnoeabs.peaks (4.67, 0.71, 23.03 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.65: HA PRO 56 + QD2 LEU 57 OK 60 99 - 61 - 218/4.7=41, 4.8/6132=31 HA ASN 42 + QD2 LEU 57 OK 11 95 - 12 - 218/4.7=3, 4.4/4616=2...(5) Peak 4991 from cnoeabs.peaks (4.43, 4.04, 60.18 ppm; 5.49 A): 2 out of 4 assignments used, quality = 0.92: HA THR 58 + HA GLU 59 OK 90 100 - 90 - 3890/2.9=49, 4631=31...(8) HA MET 31 + HA GLU 59 OK 26 99 - 27 - 233/2.9=8, ~4644=5...(9) HA SER 22 - HA GLU 59 lone 5 85 - 6 - 3729/3.6=2, 233/2.9=1 HA PRO 14 - HA GLU 59 lone 2 68 - 3 - Peak 4995 from cnoeabs.peaks (1.48, 4.28, 61.17 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.48: QB ALA 63 + HA SER 60 OK 42 100 - 42 - 4689=18, 2.9/4647=12...(8) HB3 LEU 57 + HA SER 60 OK 11 93 - 12 - 4657/3.6=5, ~5091=3...(4) HB3 LEU 52 - HA SER 60 lone 7 98 - 7 - 4657/3.6=3 HG2 LYS 73 - HA SER 60 lone 4 100 - 4 - 4657/3.6=1 HG3 LYS 13 - HA SER 60 lone 1 68 - 1 - HG3 LYS 85 - HA SER 60 lone 0 60 - 1 - Peak 4996 from cnoeabs.peaks (2.10, 3.84, 62.16 ppm; 5.46 A): 10 out of 20 assignments used, quality = 0.92: HB3 GLU 59 + HB2 SER 60 OK 28 99 - 29 - 238/3.8=14, ~4997=7...(4) HB3 GLU 59 + HB3 SER 60 OK 28 99 - 29 - 238/3.8=14, ~4997=7...(4) HB2 GLU 59 + HB3 SER 60 OK 28 99 - 29 - 238/3.8=14, ~4997=7...(4) HB2 GLU 59 + HB2 SER 60 OK 28 99 - 29 - 238/3.8=14, ~4997=7...(4) HG3 PRO 36 + HB2 SER 60 OK 18 100 - 18 - ~4997=3, 4997/3.0=3...(6) HG3 PRO 36 + HB3 SER 60 OK 18 100 - 18 - ~4997=3, 4997/3.0=3...(6) HG2 PRO 36 + HB2 SER 60 OK 18 99 - 18 - ~4997=3, 4997/3.0=3...(6) HG2 PRO 36 + HB3 SER 60 OK 18 99 - 18 - ~4997=3, 4997/3.0=3...(6) HB3 MET 31 + HB2 SER 60 OK 18 60 - 30 - 4.3/5078=18, 4997/3.0=4...(6) HB3 MET 31 + HB3 SER 60 OK 18 60 - 30 - 4.3/5078=18, 4997/3.0=4...(6) HB2 PRO 36 - HB3 SER 60 poor 9 71 - 13 - ~4997=3, 1785/1.8=1, ~1792=1 HB2 PRO 36 - HB2 SER 60 poor 9 71 - 13 - ~4997=3, 1785/1.8=1, ~1792=1 HB3 PRO 44 - HB2 SER 60 lone 7 98 - 7 - 239/3.8=2, 4997/3.0=1 HB3 PRO 44 - HB3 SER 60 lone 7 98 - 7 - 239/3.8=2, 4997/3.0=1 HB2 PRO 56 - HB2 SER 60 lone 4 97 - 4 - HB2 PRO 56 - HB3 SER 60 lone 4 97 - 4 - HG3 PRO 56 - HB2 SER 60 lone 4 98 - 4 - HG3 PRO 56 - HB3 SER 60 lone 4 98 - 4 - HB ILE 40 - HB2 SER 60 lone 1 73 - 2 - HB ILE 40 - HB3 SER 60 lone 1 73 - 2 - Peak 4997 from cnoeabs.peaks (2.08, 4.28, 61.17 ppm; 4.71 A): 5 out of 11 assignments used, quality = 0.72: HB2 GLU 59 + HA SER 60 OK 32 95 - 34 - 238/3.0=13, ~239=10...(6) HB3 GLU 59 + HA SER 60 OK 32 95 - 34 - 238/3.0=13, ~239=10...(6) HB3 MET 31 + HA SER 60 OK 22 99 - 23 - 4.3/5081=9, 1536/3.6=6...(7) HG2 PRO 36 + HA SER 60 OK 13 92 - 14 - 239/3.0=2, ~4996=1...(7) HG3 PRO 36 + HA SER 60 OK 12 89 - 14 - 239/3.0=2, ~4996=1...(7) HB3 PRO 44 - HA SER 60 lone 7 96 - 7 - 238/3.0=2, ~237=2 HB2 PRO 56 - HA SER 60 lone 4 97 - 4 - HG3 PRO 56 - HA SER 60 lone 3 96 - 3 - HB VAL 45 - HA SER 60 lone 1 95 - 1 - HB3 GLU 25 - HA SER 60 lone 1 73 - 2 - HB2 GLU 25 - HA SER 60 lone 1 71 - 2 - Peak 4998 from cnoeabs.peaks (2.38, 3.92, 57.93 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.73: HB VAL 65 + HA LEU 62 OK 63 100 - 63 - 4721=15, 2.1/4722=14...(12) HG3 MET 11 + HA LEU 62 OK 16 99 - 16 - 4721=4, 3921/4675=2...(8) HG2 GLU 59 + HA LEU 62 OK 14 93 - 15 - 4.2/4677=6, 4642/4.0=4...(4) HG2 GLU 50 - HA LEU 62 lone 8 93 - 9 - 5001/4.0=2, 2198/4.7=2 Peak 4999 from cnoeabs.peaks (1.22, 3.92, 57.93 ppm; 3.54 A): 5 out of 7 assignments used, quality = 0.95: QG2 VAL 65 + HA LEU 62 OK 66 100 - 67 - 2.1/4998=19, 4722=19...(16) QG1 VAL 65 + HA LEU 62 OK 59 92 - 64 - 2.1/4998=19, 2.1/4722=13...(15) HG LEU 52 + HA LEU 62 OK 31 78 - 40 - 2.1/5309=15, 5002/4.0=6...(10) HG13 ILE 33 + HA LEU 62 OK 30 100 - 30 - 2.1/6070=5, ~4673=5...(10) HG13 ILE 40 + HA LEU 62 OK 23 93 - 24 - 3.2/4310=4, 2.9/4309=3...(9) HG2 ARG 69 - HA LEU 62 lone 6 76 - 7 - 4.7/3906=1 QG2 THR 15 - HA LEU 62 lone 1 68 - 2 - Peak 5001 from cnoeabs.peaks (2.37, 0.93, 24.73 ppm; 5.29 A): 4 out of 4 assignments used, quality = 0.83: HB VAL 65 + QD2 LEU 62 OK 67 87 - 77 - 4998/4.0=21, 2.1/5002=14...(16) HG2 GLU 59 + QD2 LEU 62 OK 26 63 - 42 - 4.2/5364=21, 4642/2.1=7...(6) HG2 GLU 50 + QD2 LEU 62 OK 17 100 - 17 - 5239/2.1=3, 5238/2.1=3...(5) HG3 MET 11 + QD2 LEU 62 OK 17 83 - 20 - 4998/4.0=5, 5963/5237=3...(6) Peak 5002 from cnoeabs.peaks (1.21, 0.93, 24.73 ppm; 3.76 A): 3 out of 7 assignments used, quality = 0.95: HG LEU 52 + QD2 LEU 62 OK 72 89 - 81 - 2.1/4680=34, 2.1/5237=34...(16) QG2 VAL 65 + QD2 LEU 62 OK 65 100 - 65 - 4726/5237=11, 2.1/5001=9...(19) QG1 VAL 65 + QD2 LEU 62 OK 50 83 - 61 - 2.1/5001=9, 4728/5237=9...(20) HG13 ILE 40 - QD2 LEU 62 OK 20 85 - 24 - 2.1/1960=3, 4999/4.0=2...(9) HG13 ILE 33 - QD2 LEU 62 OK 17 99 - 17 - 4999/4.0=3, 5006/2.1=1...(5) HG2 ARG 69 - QD2 LEU 62 poor 7 63 - 12 - 4.7/3910=2, 3.0/4773=1...(5) QG2 THR 15 - QD2 LEU 62 lone 3 81 - 4 - Peak 5004 from cnoeabs.peaks (1.33, 0.93, 24.73 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.94: HB2 LEU 52 + QD2 LEU 62 OK 81 99 - 82 - 3.1/4680=32, 3.1/5237=32...(16) HB2 LEU 51 + QD2 LEU 62 OK 49 99 - 49 - 1.8/5221=5, 3.0/2598=4...(22) HG2 ARG 54 + QD2 LEU 62 OK 35 81 - 44 - 3.0/2594=4, 2326/2.1=4...(19) QB ALA 28 - QD2 LEU 62 OK 20 97 - 21 - 5321/2.1=4, 3.6/3910=2...(7) HG3 LYS 32 - QD2 LEU 62 OK 13 100 - 13 - 2288/5237=1, 2281/4680=1 QB ALA 12 - QD2 LEU 62 lone 3 100 - 3 - QG2 THR 58 - QD2 LEU 62 lone 2 92 - 2 - Peak 5005 from cnoeabs.peaks (1.49, 0.93, 24.73 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.97: HB3 LEU 52 + QD2 LEU 62 OK 80 96 - 84 - 3.1/4680=32, 3.1/5237=32...(19) QB ALA 63 + QD2 LEU 62 OK 64 100 - 64 - 5787/4.8=12, 2.1/4679=8...(24) HB3 LEU 57 + QD2 LEU 62 OK 54 89 - 61 - 4599=11, 4619/4.8=8...(23) HG2 LYS 73 - QD2 LEU 62 OK 17 99 - 17 - 4.9/5263=2, 5255/2.1=2...(4) HG3 LYS 13 - QD2 LEU 62 lone 4 60 - 7 - Peak 5006 from cnoeabs.peaks (1.20, 0.87, 24.45 ppm; 3.94 A): 3 out of 18 assignments used, quality = 0.92: HG LEU 52 + QD1 LEU 62 OK 74 99 - 75 - ~4680=23, ~5237=23...(18) QG2 VAL 65 + QD1 LEU 62 OK 55 98 - 56 - 5002/2.1=10, 4722/4.0=10...(16) QG1 VAL 65 + QD1 LEU 62 OK 31 60 - 52 - ~5001=8, 5002/2.1=8...(16) QG2 VAL 65 - QD1 LEU 29 OK 16 96 - 17 - 5965/2.1=2, 3.2/5960=2...(7) HG LEU 52 - QD1 LEU 29 OK 16 97 - 16 - 2.1/4952=2, 4545/4.0=2...(6) HG13 ILE 33 - QD1 LEU 62 OK 13 90 - 15 - 4999/4.0=3, 5002/2.1=3 HG13 ILE 40 - QD1 LEU 62 OK 12 63 - 19 - 5002/2.1=3, 4999/4.0=2...(8) HG13 ILE 33 - QD1 LEU 29 OK 11 88 - 12 - ~6122=2, 4.5/5559=1...(6) HG LEU 52 - QD1 LEU 86 OK 10 87 - 12 - 2.1/4952=2, 5.0/197=2...(4) QG2 VAL 65 - QD1 LEU 86 poor 9 86 - 11 - 5965/2.1=2, 3.2/5960=1 QG1 VAL 65 - QD1 LEU 29 poor 7 58 - 13 - 3.2/5960=2, 2.1/5239=2...(5) HG13 ILE 33 - QD1 LEU 86 lone 5 76 - 6 - ~6122=1 QG1 VAL 65 - QD1 LEU 86 lone 4 48 - 9 - 3.2/5960=1, ~5965=1, 2.1/5239=1 QG2 THR 15 - QD1 LEU 29 lone 4 94 - 4 - 1138/4.0=1 QG2 THR 15 - QD1 LEU 62 lone 3 96 - 3 - HG13 ILE 40 - QD1 LEU 29 lone 2 61 - 4 - HG13 ILE 40 - QD1 LEU 86 lone 2 51 - 4 - QG2 THR 15 - QD1 LEU 86 lone 1 82 - 2 - Peak 5007 from cnoeabs.peaks (2.05, 0.87, 24.45 ppm; 5.57 A): 6 out of 45 assignments used, quality = 0.92: HB2 GLU 25 + QD1 LEU 29 OK 50 99 - 50 - 3.0/4165=7, 4.7/5516=7...(18) HB3 GLU 25 + QD1 LEU 29 OK 49 99 - 50 - 3.0/4165=7, 4.7/5516=7...(18) HG2 PRO 44 + QD1 LEU 62 OK 33 99 - 33 - ~4679=6, ~4401=5...(11) HG2 PRO 44 + QD1 LEU 29 OK 25 98 - 26 - ~4924=4, ~4405=4...(8) HB3 MET 31 + QD1 LEU 29 OK 23 86 - 27 - ~6121=5, ~4200=5...(7) HB2 GLU 25 + QD1 LEU 62 OK 21 100 - 21 - 4.7/5516=7, 3.0/4165=4...(6) HB3 GLU 25 - QD1 LEU 62 OK 21 100 - 21 - 4.7/5516=7, 3.0/4165=4...(6) HB3 GLU 50 - QD1 LEU 62 OK 19 95 - 20 - 4.7/661=4, ~5001=4...(6) HB2 GLU 50 - QD1 LEU 62 OK 19 95 - 20 - 4.7/661=4, ~5001=4...(6) HB2 GLU 25 - QD1 LEU 86 OK 17 90 - 19 - 4.7/5516=3, 3.0/4165=3...(5) HB3 GLU 25 - QD1 LEU 86 OK 17 90 - 18 - 4.7/5516=3, 3.0/4165=3...(5) HB2 GLU 87 - QD1 LEU 86 OK 14 65 - 21 - ~3521=4, ~3528=4...(7) HB2 GLU 50 - QD1 LEU 29 OK 12 93 - 13 - 4.7/661=3, ~4504=1, 3.0/5239=1 HB3 GLU 50 - QD1 LEU 29 OK 12 93 - 13 - 4.7/661=3, ~4504=1, 3.0/5239=1 HB VAL 76 - QD1 LEU 62 OK 12 98 - 12 - ~2576=1 HB VAL 76 - QD1 LEU 29 OK 11 96 - 11 - 3161/4.8=2, 5432/4.0=2 HB3 MET 31 - QD1 LEU 86 poor 10 75 - 13 - ~6121=3, 4845/2.1=2...(4) HD3 ARG 69 - QD1 LEU 62 poor 10 76 - 13 - 4.6/5960=4, ~4778=1...(4) HD2 ARG 69 - QD1 LEU 62 poor 10 76 - 13 - 4.6/5960=4, ~4778=1...(4) HB3 GLU 50 - QD1 LEU 86 poor 9 81 - 11 - 4.7/661=4, 867/4.9=1 HB2 GLU 50 - QD1 LEU 86 poor 9 81 - 11 - 4.7/661=4, 867/4.9=1 HG2 PRO 44 - QD1 LEU 86 lone 9 88 - 10 - ~4405=2, ~4402=2 HB3 GLU 19 - QD1 LEU 86 poor 8 78 - 10 - 867/4.9=6, 3562/4.0=1 HB3 MET 31 - QD1 LEU 62 lone 6 89 - 7 - 4.0/4192=1 HB2 GLU 87 - QD1 LEU 29 lone 6 76 - 8 - 4.0/5919=2 HD2 ARG 69 - QD1 LEU 29 lone 5 74 - 7 - 4.6/5960=2 HD3 ARG 69 - QD1 LEU 29 lone 5 74 - 7 - 4.6/5960=2 HB2 GLU 87 - QD1 LEU 62 lone 5 78 - 7 - 4.0/5919=2 HB3 PRO 56 - QD1 LEU 62 lone 5 78 - 6 - 4.0/5367=3 HB VAL 76 - QD1 LEU 86 lone 5 86 - 5 - HB3 GLN 91 - QD1 LEU 86 lone 4 81 - 5 - 867/4.9=2 HB3 GLN 91 - QD1 LEU 29 lone 4 93 - 4 - HB3 GLU 19 - QD1 LEU 62 lone 4 92 - 4 - HB3 GLU 19 - QD1 LEU 29 lone 4 90 - 4 - HD3 ARG 69 - QD1 LEU 86 lone 3 62 - 5 - 4.6/5960=1 HD2 ARG 69 - QD1 LEU 86 lone 3 62 - 5 - 4.6/5960=1 HG2 PRO 56 - QD1 LEU 62 lone 3 90 - 3 - HB3 PRO 56 - QD1 LEU 29 lone 3 76 - 4 - HB3 PRO 56 - QD1 LEU 86 lone 3 65 - 4 - 4.0/4597=1 HB3 GLN 91 - QD1 LEU 62 lone 3 95 - 3 - HB VAL 45 - QD1 LEU 62 lone 3 96 - 3 - HG2 PRO 56 - QD1 LEU 29 lone 3 88 - 3 - HB VAL 45 - QD1 LEU 29 lone 2 94 - 3 - HG2 PRO 56 - QD1 LEU 86 lone 2 76 - 3 - HB VAL 45 - QD1 LEU 86 lone 2 82 - 2 - Peak 5008 from cnoeabs.peaks (1.69, 1.49, 17.50 ppm; 4.57 A): 3 out of 13 assignments used, quality = 0.96: HG LEU 29 + QB ALA 63 OK 67 95 - 71 - 2.1/4681=10, 3766/2.9=10...(27) HG3 ARG 66 + QB ALA 63 OK 65 99 - 66 - 4.9/5786=18, ~5370=11...(16) HB3 LEU 64 + QB ALA 63 OK 63 97 - 65 - 4.0/3913=23, 3.0/4689=16...(15) HB2 LEU 29 - QB ALA 63 OK 42 60 - 71 - 5348/2.1=9, 3.1/4681=9...(31) HG2 ARG 70 - QB ALA 63 OK 25 81 - 31 - 2.9/5009=4, 2.9/5009=4...(13) HB3 GLN 61 - QB ALA 63 OK 17 63 - 28 - 4.6/5787=16, 4.0/4657=10 HB2 ARG 82 - QB ALA 63 lone 7 99 - 7 - 730/3.6=2, 2615/4.9=2 HG2 ARG 23 - QB ALA 63 lone 7 89 - 7 - 730/3.6=2, 2615/4.9=1 HB3 LYS 13 - QB ALA 63 lone 5 99 - 5 - HD3 LYS 75 - QB ALA 63 lone 3 76 - 4 - HD2 LYS 75 - QB ALA 63 lone 3 76 - 4 - HD3 LYS 13 - QB ALA 63 lone 2 78 - 3 - HD2 LYS 13 - QB ALA 63 lone 2 78 - 3 - Peak 5009 from cnoeabs.peaks (1.94, 1.49, 17.50 ppm; 4.89 A): 5 out of 8 assignments used, quality = 0.94: HB3 ARG 66 + QB ALA 63 OK 74 100 - 74 - 4.0/5786=24, 4.6/5805=15...(18) HB2 ARG 70 + QB ALA 63 OK 32 92 - 35 - 4684/2.1=5, ~4684=4...(16) HB3 ARG 70 + QB ALA 63 OK 32 92 - 35 - 4684/2.1=5, ~4684=4...(16) HB VAL 41 + QB ALA 63 OK 32 97 - 32 - 2.1/4904=11, 4333/4.9=5...(8) HG13 ILE 68 + QB ALA 63 OK 30 90 - 33 - 4684/2.1=5, ~259=3...(14) HG LEU 57 - QB ALA 63 OK 26 92 - 29 - ~726=3, ~256=3, 2452=3...(13) HB2 MET 31 - QB ALA 63 OK 20 100 - 20 - 5932/3.6=7, 4684/2.1=3...(5) HB2 GLN 79 - QB ALA 63 lone 4 65 - 5 - ~5370=1 Peak 5012 from cnoeabs.peaks (7.96, 0.95, 23.35 ppm; 4.65 A): 6 out of 7 assignments used, quality = 0.94: H LEU 29 + QD1 LEU 64 OK 53 98 - 54 - 550/2.1=10, 4.6/5013=9...(16) H ALA 63 + QD1 LEU 64 OK 49 89 - 55 - 934/4.4=19, 4690/3.9=10...(13) H ARG 70 + QD1 LEU 64 OK 39 99 - 39 - 770/3.1=4, 5826/6134=4...(14) H ALA 30 + QD1 LEU 64 OK 30 78 - 38 - 85/2.1=6, 81/3.1=4...(13) H VAL 76 + QD1 LEU 64 OK 28 100 - 28 - 5016/3.1=3, 3.0/5794=3...(11) H LYS 32 + QD1 LEU 64 OK 27 83 - 32 - 4.9/5310=8, 4.7/6102=7...(8) H ARG 69 - QD1 LEU 64 OK 26 78 - 33 - 4.7/6134=14, 5.0/6102=5...(6) Peak 5013 from cnoeabs.peaks (8.21, 0.95, 23.35 ppm; 4.98 A): 6 out of 8 assignments used, quality = 0.85: H ALA 28 + QD1 LEU 64 OK 63 100 - 63 - 5015/2.1=14, ~5162=12...(14) H SER 22 + QD1 LEU 64 OK 21 100 - 21 - 4.5/3919=7, 3.5/5794=4...(4) H THR 15 + QD1 LEU 64 OK 20 99 - 21 - 5015/2.1=5, 5906/3.1=4...(8) H GLU 25 + QD1 LEU 64 OK 15 97 - 15 - 5015/2.1=5, 4.5/5508=2...(4) H ARG 84 + QD1 LEU 64 OK 13 95 - 14 - 5015/2.1=3, 3.6/2648=1 H ALA 77 + QD1 LEU 64 OK 13 93 - 14 - 4.5/5012=3, 5015/2.1=3 H GLN 79 - QD1 LEU 64 lone 9 100 - 9 - 5015/2.1=2, 824/3.1=1 H ALA 12 - QD1 LEU 64 lone 6 65 - 9 - 5015/2.1=1, ~5162=1, 3.0/2648=1 Peak 5014 from cnoeabs.peaks (7.93, 0.84, 25.67 ppm; 5.28 A): 4 out of 6 assignments used, quality = 0.96: H ASP 67 + QD2 LEU 64 OK 62 100 - 62 - 4741/2.1=20, 4737/3.9=18...(13) H LYS 32 + QD2 LEU 64 OK 62 97 - 64 - 4.9/5021=17, 4.9/5311=14...(14) H LEU 29 + QD2 LEU 64 OK 56 78 - 72 - 3.6/5162=17, 3.6/4173=13...(23) H ILE 33 + QD2 LEU 64 OK 34 73 - 47 - 3.9/5560=10, 5559=9...(9) H ARG 70 - QD2 LEU 64 OK 29 76 - 38 - 4693/3.9=6, 770/3.1=4...(13) H VAL 76 - QD2 LEU 64 OK 17 57 - 30 - 3.0/4384=3, ~6044=3...(12) Peak 5015 from cnoeabs.peaks (8.21, 0.84, 25.67 ppm; 5.08 A): 6 out of 8 assignments used, quality = 0.90: H ALA 28 + QD2 LEU 64 OK 70 100 - 70 - 2.9/5162=18, 5013/2.1=15...(16) H THR 15 + QD2 LEU 64 OK 24 99 - 24 - 5013/2.1=5, 5906/3.1=4...(10) H GLU 25 + QD2 LEU 64 OK 24 97 - 25 - 5013/2.1=4, 5.0/4165=3...(8) H SER 22 + QD2 LEU 64 OK 22 100 - 22 - 4.5/3918=6, 5013/2.1=5...(4) H ARG 84 + QD2 LEU 64 OK 17 95 - 17 - 5013/2.1=3, 4171=2, 3.6/5027=1 H ALA 77 + QD2 LEU 64 OK 14 93 - 15 - 5013/2.1=3, 3.6/4384=3 H GLN 79 - QD2 LEU 64 lone 10 100 - 10 - 5013/2.1=2, 824/3.1=1 H ALA 12 - QD2 LEU 64 poor 7 65 - 10 - 2.9/5162=2, 5013/2.1=1 Peak 5016 from cnoeabs.peaks (7.96, 1.97, 41.01 ppm; 5.46 A): 4 out of 7 assignments used, quality = 0.94: H ALA 63 + HB2 LEU 64 OK 66 89 - 75 - 934/4.0=26, 4690/3.0=14...(13) H LEU 29 + HB2 LEU 64 OK 56 98 - 58 - 550/3.1=10, 5012/3.1=8...(15) H ARG 70 + HB2 LEU 64 OK 43 99 - 44 - 4709/4.4=6, 5012/3.1=6...(12) H ALA 30 + HB2 LEU 64 OK 33 78 - 43 - 85/3.1=7, 261/4.0=5...(12) H VAL 76 - HB2 LEU 64 OK 32 100 - 31 - 3.0/6044=6, 5012/3.1=5...(10) H LYS 32 - HB2 LEU 64 OK 26 83 - 31 - 4.9/5190=5, 5012/3.1=4...(11) H ARG 69 - HB2 LEU 64 OK 18 78 - 23 - 5012/3.1=4, 4.6/768=3...(7) Peak 5019 from cnoeabs.peaks (3.17, 0.95, 23.35 ppm; 4.09 A): 5 out of 14 assignments used, quality = 0.90: HD2 ARG 23 + QD1 LEU 64 OK 46 99 - 47 - 2.9/2651=7, 3.5/5022=5...(22) HD3 ARG 23 + QD1 LEU 64 OK 46 99 - 47 - 2.9/2651=7, 3.5/5022=5...(22) HD3 ARG 66 + QD1 LEU 64 OK 35 93 - 38 - 3.4/6102=6, 3.0/2650=4...(11) HD2 ARG 66 + QD1 LEU 64 OK 34 90 - 38 - 3.4/6102=6, 3.0/2650=4...(11) HD2 ARG 27 + QD1 LEU 64 OK 15 100 - 15 - 3.5/5022=3, 3.5/5022=3...(5) HD3 ARG 27 - QD1 LEU 64 OK 15 100 - 15 - 3.5/5022=3, 3.5/5022=3...(5) HD3 ARG 17 - QD1 LEU 64 OK 15 95 - 16 - 5.6/3919=3, 3.6/5022=2...(5) HD2 ARG 17 - QD1 LEU 64 OK 15 95 - 16 - 5.6/3919=3, 3.6/5022=2...(5) HD2 ARG 26 - QD1 LEU 64 OK 10 100 - 10 - HD2 ARG 82 - QD1 LEU 64 OK 10 71 - 14 - 3.0/2651=3, 3.6/2650=2...(6) HD3 ARG 26 - QD1 LEU 64 OK 10 100 - 10 - HD3 ARG 71 - QD1 LEU 64 lone 5 65 - 7 - 3.5/5022=1, 3.5/5022=1 HD3 ARG 84 - QD1 LEU 64 lone 3 73 - 4 - HD2 ARG 84 - QD1 LEU 64 lone 3 68 - 4 - Peak 5020 from cnoeabs.peaks (2.85, 0.95, 23.35 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.52: HB3 ASP 67 + QD1 LEU 64 OK 52 98 - 53 - 1.8/4744=17, 4739/3.9=12...(8) HB2 PHE 35 - QD1 LEU 64 lone 9 100 - 9 - 2737/4744=2, 287/6134=1 Peak 5021 from cnoeabs.peaks (2.63, 0.84, 25.67 ppm; 4.00 A): 4 out of 4 assignments used, quality = 0.85: HG2 MET 31 + QD2 LEU 64 OK 70 100 - 70 - 4198=16, 1.8/5311=14...(21) HG2 GLN 61 + QD2 LEU 64 OK 22 63 - 34 - 3.0/5311=8, 3.0/5161=5...(13) HB3 ASP 38 + QD2 LEU 64 OK 21 99 - 21 - 4.7/2640=4, ~5310=3...(8) HB2 ASP 38 + QD2 LEU 64 OK 21 99 - 21 - 4.7/2640=4, ~5310=3...(8) Peak 5022 from cnoeabs.peaks (1.85, 0.95, 23.35 ppm; 3.53 A): 6 out of 14 assignments used, quality = 0.94: HB2 LYS 39 + QD1 LEU 64 OK 48 100 - 48 - 3.0/2648=6, 5111/2.1=6...(20) HB3 ARG 23 + QD1 LEU 64 OK 46 99 - 47 - 3.0/2651=6, 5028/2.1=4...(26) HB2 ARG 23 + QD1 LEU 64 OK 46 98 - 47 - 3.0/2651=6, 5028/2.1=4...(26) HB2 ARG 66 + QD1 LEU 64 OK 34 83 - 41 - 1.8/6102=7, 4.6/4741=6...(16) HB3 ARG 27 + QD1 LEU 64 OK 25 100 - 25 - 4.3/5013=5, 5028/2.1=3...(9) HB2 ARG 27 + QD1 LEU 64 OK 25 100 - 25 - 4.3/5013=5, 5028/2.1=3...(9) HB2 ARG 17 - QD1 LEU 64 OK 18 90 - 20 - 4.0/3919=3, 3.0/2648=3...(8) HB3 ARG 71 - QD1 LEU 64 OK 14 100 - 14 - 5028/2.1=1, 4.0/5834=1, 5095=1 HB2 ARG 71 - QD1 LEU 64 OK 14 100 - 14 - 5028/2.1=1, 4.0/5834=1, 5095=1 HB2 LYS 75 - QD1 LEU 64 OK 12 95 - 12 - 3.0/2648=2, 4.6/5012=1 HB2 ARG 26 - QD1 LEU 64 poor 8 73 - 11 - 5028/2.1=1 HB3 ARG 26 - QD1 LEU 64 poor 8 71 - 11 - 5028/2.1=1 HB3 PRO 34 - QD1 LEU 64 lone 2 87 - 2 - HB2 MET 11 - QD1 LEU 64 lone 1 60 - 2 - Peak 5023 from cnoeabs.peaks (1.97, 0.95, 23.35 ppm; 3.24 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 43 + QD1 LEU 64 OK 55 89 - 62 - 2.1/2652=9, 2642/2.1=6...(31) QE MET 31 - QD1 LEU 64 OK 44 87 - 50 - 5074/2.1=9, 5073=8...(14) HG LEU 57 - QD1 LEU 64 OK 23 89 - 26 - ~5025=4, ~5026=4...(15) HB2 ARG 70 - QD1 LEU 64 OK 20 89 - 22 - 2642/2.1=2, 4.1/5012=2...(8) HB3 ARG 70 - QD1 LEU 64 OK 20 89 - 22 - 2642/2.1=2, 4.1/5012=2...(8) HG3 PRO 14 - QD1 LEU 64 OK 16 95 - 17 - 2642/2.1=2, 2628/3.1=1...(4) HG2 PRO 14 - QD1 LEU 64 OK 16 95 - 17 - 2642/2.1=2, 2628/3.1=1...(4) HB2 GLN 79 - QD1 LEU 64 lone 6 100 - 6 - HB3 GLN 79 - QD1 LEU 64 lone 4 76 - 5 - Peak 5025 from cnoeabs.peaks (0.72, 1.97, 41.01 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 33 + HB2 LEU 64 OK 71 95 - 75 - 5026/1.8=21, 5795/4.4=17...(23) QD2 LEU 57 + HB2 LEU 64 OK 68 98 - 69 - 5026/1.8=18, 5795/4.4=13...(26) Peak 5026 from cnoeabs.peaks (0.71, 1.70, 41.01 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.90: QD1 ILE 33 + HB3 LEU 64 OK 74 99 - 75 - 5025/1.8=21, 5795/4.4=17...(19) QD2 LEU 57 + HB3 LEU 64 OK 63 100 - 63 - 5025/1.8=20, 5795/4.4=13...(20) Peak 5027 from cnoeabs.peaks (4.26, 0.84, 25.67 ppm; 4.53 A): 2 out of 13 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.9=100 HA LYS 39 + QD2 LEU 64 OK 66 97 - 68 - 2648/2.1=9, 1836/2.1=9...(24) HA ARG 17 - QD2 LEU 64 OK 36 87 - 41 - 3.0/3918=5, ~3919=4...(16) HA ASP 38 - QD2 LEU 64 OK 29 85 - 34 - 3.6/2640=6, 3.0/5021=6...(10) HA ALA 20 - QD2 LEU 64 OK 22 100 - 22 - 3.6/3918=5, ~6134=4...(7) HA LYS 75 - QD2 LEU 64 OK 21 90 - 24 - 2648/2.1=2, 2620/3.1=2...(8) HA THR 15 - QD2 LEU 64 OK 21 93 - 22 - 3.0/5015=4, ~5013=2...(10) HA LYS 83 - QD2 LEU 64 OK 13 89 - 14 - 3.6/5015=2, 2648/2.1=1...(4) HA GLU 19 - QD2 LEU 64 OK 13 100 - 12 - 2648/2.1=2, 3.0/6103=1...(5) HA SER 60 - QD2 LEU 64 OK 12 87 - 14 - 728/4.4=3, 4995/4681=2...(7) HA ALA 12 - QD2 LEU 64 OK 10 100 - 10 - 2.1/5162=2, 2648/2.1=1 HA ALA 77 - QD2 LEU 64 lone 5 65 - 8 - 3.0/5015=2, ~5013=2 HA THR 88 - QD2 LEU 64 lone 5 83 - 5 - 3.5/5268=1 Peak 5028 from cnoeabs.peaks (1.86, 0.84, 25.67 ppm; 3.65 A): 6 out of 15 assignments used, quality = 0.95: HB2 LYS 39 + QD2 LEU 64 OK 54 99 - 54 - 5111=7, 2.9/5206=6...(23) HB3 ARG 23 + QD2 LEU 64 OK 43 95 - 46 - 5022/2.1=5, 3.0/2644=5...(24) HB2 ARG 23 + QD2 LEU 64 OK 43 93 - 46 - 5022/2.1=5, 3.0/2644=5...(24) HB2 ARG 66 + QD2 LEU 64 OK 36 92 - 40 - 1.8/6103=6, ~6102=4...(16) HB3 ARG 27 + QD2 LEU 64 OK 29 99 - 30 - 4.3/5015=5, 4.1/5521=4...(11) HB2 ARG 27 + QD2 LEU 64 OK 29 99 - 30 - 4.3/5015=5, 4.1/5521=4...(11) HB2 ARG 17 - QD2 LEU 64 OK 17 81 - 21 - 4.0/3918=3, 5022/2.1=2...(8) HB3 ARG 71 - QD2 LEU 64 OK 13 99 - 13 - 5022/2.1=2, 3.0/4163=1, ~5022=1 HB2 ARG 71 - QD2 LEU 64 OK 13 99 - 13 - 5022/2.1=2, 3.0/4163=1, ~5022=1 HB2 LYS 75 - QD2 LEU 64 OK 13 87 - 14 - 5111=2, 5022/2.1=1, 3.0/5027=1 HB2 ARG 26 - QD2 LEU 64 OK 12 85 - 15 - 4.6/5521=3, 3.0/4163=1...(4) HB3 ARG 26 - QD2 LEU 64 OK 12 83 - 15 - 4.6/5521=3, 3.0/4163=1...(4) HB3 PRO 14 - QD2 LEU 64 OK 11 68 - 17 - 2.3/2642=2, 2.3/2642=2...(5) HB3 PRO 34 - QD2 LEU 64 lone 3 95 - 3 - HB2 MET 11 - QD2 LEU 64 lone 1 73 - 2 - Peak 5029 from cnoeabs.peaks (1.45, 0.84, 25.67 ppm; 4.00 A): 4 out of 10 assignments used, quality = 0.96: HB3 LEU 43 + QD2 LEU 64 OK 74 95 - 79 - 3.1/2646=10, 2021=8...(40) HG12 ILE 33 + QD2 LEU 64 OK 57 99 - 57 - 2.1/6122=11, 1.8/5030=9...(15) QB ALA 30 + QD2 LEU 64 OK 39 100 - 39 - 3.6/4192=6, 5536=5...(13) HB3 LEU 57 + QD2 LEU 64 OK 34 87 - 40 - ~5025=5, ~5026=5...(17) HB3 LEU 52 - QD2 LEU 64 OK 33 76 - 43 - 1.8/5162=11, 3.9/2640=6...(13) HG13 ILE 89 - QD2 LEU 64 OK 24 97 - 24 - 2.1/3635=3, 1.8/3621=3...(6) HG3 LYS 13 - QD2 LEU 64 OK 14 99 - 14 - 2.9/5161=1, 2.9/5161=1 HG2 LYS 13 - QD2 LEU 64 poor 9 65 - 13 - 2.9/5161=1, 2.9/5161=1 HG3 LYS 85 - QD2 LEU 64 lone 6 100 - 6 - 4.7/5916=1 HG2 LYS 73 - QD2 LEU 64 lone 3 63 - 5 - Peak 5030 from cnoeabs.peaks (1.22, 0.84, 25.67 ppm; 3.67 A): 5 out of 7 assignments used, quality = 0.94: QG2 VAL 65 + QD2 LEU 64 OK 58 100 - 58 - 4715/4.4=11, 4724/2.1=10...(17) HG13 ILE 33 + QD2 LEU 64 OK 50 100 - 50 - 2.1/6122=10, 1.8/5029=6...(16) QG1 VAL 65 + QD2 LEU 64 OK 44 87 - 51 - 4.0/269=7, 2.1/5965=6...(17) HG LEU 52 + QD2 LEU 64 OK 34 85 - 40 - 3.0/5162=7, 4552/2.1=7...(13) HG13 ILE 40 + QD2 LEU 64 OK 22 89 - 25 - 1.8/6103=4, 4700/3.1=2...(9) QG2 THR 15 - QD2 LEU 64 lone 7 76 - 9 - 3.9/5015=2, 3.2/5027=1 HG2 ARG 69 - QD2 LEU 64 lone 5 68 - 7 - Peak 5031 from cnoeabs.peaks (6.65, 1.23, 22.65 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.81: QD PHE 35 + QG1 VAL 65 OK 81 100 - 81 - 2.2/4719=17, ~4717=14...(22) Peak 5032 from cnoeabs.peaks (1.54, 3.63, 67.03 ppm; 5.04 A): 2 out of 7 assignments used, quality = 0.93: HG LEU 64 + HA VAL 65 OK 86 100 - 86 - 268/3.0=16, ~3915=11...(25) HG LEU 62 + HA VAL 65 OK 51 78 - 65 - ~5001=12, 2.1/5960=9...(17) HG2 LYS 39 - HA VAL 65 OK 16 100 - 16 - 268/3.0=6, 6087/5680=3...(5) HG3 ARG 23 - HA VAL 65 OK 15 100 - 15 - 268/3.0=5, 5793=2...(4) HB3 LEU 86 - HA VAL 65 OK 14 85 - 17 - 4.6/5313=3, 268/3.0=3...(6) HG2 ARG 82 - HA VAL 65 OK 11 90 - 12 - 268/3.0=4, 5793=2, ~267=1 HB3 ARG 54 - HA VAL 65 lone 9 100 - 9 - 268/3.0=2, ~5244=2 Peak 5033 from cnoeabs.peaks (1.03, 3.63, 67.03 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 40 + HA VAL 65 OK 82 100 - 82 - 5035/3.2=19, 1958=15...(30) HG3 PRO 34 + HA VAL 65 OK 17 95 - 18 - 5035/3.2=4, 1942/1937=2...(9) Peak 5034 from cnoeabs.peaks (0.92, 1.23, 22.65 ppm; 3.46 A): 3 out of 9 assignments used, quality = 0.96: QG2 ILE 40 + QG1 VAL 65 OK 78 99 - 79 - 3.0/5035=16, 1941=11...(36) QD2 LEU 62 + QG1 VAL 65 OK 56 99 - 57 - 5237/4728=9, 5002/2.1=8...(19) HG12 ILE 68 + QG1 VAL 65 OK 54 100 - 54 - 3.2/5964=7, ~4706=5...(21) QG2 VAL 41 - QG1 VAL 65 OK 32 95 - 34 - 2.1/5964=5, 5130/3.2=5...(13) QD2 LEU 43 - QG1 VAL 65 OK 21 76 - 27 - 2.1/5964=4, 4916/6104=3...(9) QG2 VAL 76 - QG1 VAL 65 lone 9 100 - 9 - 3.9/5797=1 QG1 VAL 76 - QG1 VAL 65 lone 9 100 - 9 - 3.9/5797=1 QG1 VAL 90 - QG1 VAL 65 lone 2 78 - 3 - QG2 VAL 90 - QG1 VAL 65 lone 2 76 - 3 - Peak 5035 from cnoeabs.peaks (1.02, 1.23, 22.65 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.87: QD1 ILE 40 + QG1 VAL 65 OK 75 97 - 77 - 5033/3.2=16, 1962=11...(34) QD1 LEU 57 + QG1 VAL 65 OK 37 71 - 52 - 2.1/4729=14, ~4725=9...(14) HG3 PRO 34 + QG1 VAL 65 OK 17 76 - 22 - 4243/5031=4, 5033/3.2=3...(6) Peak 5038 from cnoeabs.peaks (8.58, 2.01, 28.91 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.93: H ARG 66 + HG2 ARG 66 OK 92 97 - 94 - 4.9=73, 5039/1.8=38...(16) H ARG 66 + HB3 GLN 79 OK 15 84 - 18 - 743=3, 3.0/2678=2...(9) Peak 5039 from cnoeabs.peaks (8.58, 1.70, 28.91 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.93: H ARG 66 + HG3 ARG 66 OK 93 97 - 95 - 4.9=75, 5038/1.8=34...(21) Peak 5040 from cnoeabs.peaks (8.59, 3.19, 43.48 ppm; 5.15 A): 4 out of 13 assignments used, quality = 1.00: * H ARG 66 + HD2 ARG 66 OK 95 100 - 95 - 6.2=57, 5039/3.0=37...(17) H ARG 66 + HD3 ARG 66 OK 95 100 - 95 - 6.2=57, 5039/3.0=37...(17) H ARG 66 + HD3 ARG 70 OK 64 92 - 70 - 2690/3.5=10, 2690/3.5=10...(26) H ARG 66 + HD2 ARG 70 OK 62 89 - 70 - 2690/3.5=10, 2690/3.5=10...(26) H ARG 66 - HD3 ARG 26 OK 21 53 - 41 - 2682/3.5=6, 2682/3.5=6...(14) H ARG 66 - HD2 ARG 26 OK 21 52 - 41 - 2682/3.5=6, 2682/3.5=6...(14) H ARG 66 - HD3 ARG 71 OK 13 56 - 22 - 5036/4.7=7, 2682/3.5=2...(8) H ARG 66 - HD3 ARG 27 poor 5 45 - 11 - 3.0/2681=1 H ARG 66 - HD2 ARG 27 poor 5 45 - 11 - 3.0/2681=1 H ARG 66 - HD2 ARG 23 poor 5 38 - 12 - 744/2.9=1 H ARG 66 - HD3 ARG 23 poor 5 38 - 12 - 744/2.9=1 H ARG 66 - HD2 ARG 17 lone 3 30 - 9 - 271/5.6=3, 5037/5.0=1 H ARG 66 - HD3 ARG 17 lone 3 30 - 9 - 271/5.6=3, 5037/5.0=1 Peak 5041 from cnoeabs.peaks (7.61, 0.81, 17.06 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.95: H VAL 41 + QG2 ILE 68 OK 86 97 - 89 - 4.5/4753=21, 3.6/4751=14...(26) HD21 ASN 42 + QG2 ILE 68 OK 65 97 - 67 - 1.7/4367=16, 4364=14...(22) HD21 ASN 74 - QG2 ILE 68 OK 13 100 - 13 - 4900/5249=2, 3815/4753=1 Peak 5042 from cnoeabs.peaks (2.10, 0.78, 13.95 ppm; 5.10 A): 5 out of 9 assignments used, quality = 0.88: HB ILE 40 + QD1 ILE 68 OK 79 81 - 98 - 3.2/5247=35, 4753/2.9=25...(40) HG3 PRO 36 + QD1 ILE 68 OK 16 99 - 16 - 4753/2.9=4, ~4753=2...(4) HB3 PRO 44 + QD1 ILE 68 OK 13 96 - 14 - 4753/2.9=3, ~4404=1...(7) HB2 PRO 36 + QD1 ILE 68 OK 13 78 - 17 - 4753/2.9=4, 1959/5247=2...(6) HG2 PRO 36 + QD1 ILE 68 OK 13 98 - 13 - 4753/2.9=3, ~4753=3, 4274/4757=2 HB2 GLU 59 - QD1 ILE 68 lone 6 97 - 6 - ~5364=1, 4753/2.9=1 HB3 GLU 59 - QD1 ILE 68 lone 6 97 - 6 - ~5364=1, 4753/2.9=1 HG3 PRO 56 - QD1 ILE 68 lone 4 96 - 4 - HB2 PRO 56 - QD1 ILE 68 lone 4 93 - 4 - Peak 5044 from cnoeabs.peaks (3.63, 1.92, 28.80 ppm; 4.93 A): 3 out of 4 assignments used, quality = 1.00: HA ILE 40 + HG13 ILE 68 OK 88 97 - 90 - 4761/2.1=15, 4751/3.2=13...(29) HA ARG 69 + HG13 ILE 68 OK 84 99 - 85 - 2.9/293=13, 4767/3.2=13...(24) HA VAL 65 + HG13 ILE 68 OK 80 99 - 82 - 5313/4.5=21, 4706/2.1=19...(21) HD3 PRO 14 - HG13 ILE 68 OK 38 99 - 38 - 4761/2.1=6, ~5252=6...(13) Peak 5045 from cnoeabs.peaks (1.60, 3.51, 65.41 ppm; 5.83 A): 4 out of 21 assignments used, quality = 0.92: HG2 ARG 71 + HA ILE 68 OK 74 90 - 82 - 1.8/5985=43...(8) HG3 ARG 70 + HA ILE 68 OK 38 98 - 38 - 5.0/15389=34, 5840/5845=2 HD2 LYS 73 + HA ILE 68 OK 28 99 - 28 - 3.5/4748=5, 3.5/5973=4...(11) HD3 LYS 73 + HA ILE 68 OK 28 99 - 28 - 3.5/4748=5, 3.5/5973=4...(11) HB2 LEU 86 - HA ILE 68 OK 21 97 - 22 - 4.6/2742=8, ~5818=3...(4) HB3 LEU 62 - HA ILE 68 OK 20 92 - 22 - 4.6/3934=3, ~5818=3...(9) HD2 LYS 39 - HA ILE 68 OK 15 83 - 18 - ~5818=4, 3.5/4748=4...(4) HD3 LYS 39 - HA ILE 68 OK 14 81 - 18 - ~5818=4, 3.5/4748=4...(4) HG2 ARG 26 - HA ILE 68 OK 12 87 - 14 - 308/15389=2, 2932/5985=2...(4) HG LEU 86 - HA ILE 68 OK 12 100 - 12 - ~5818=2, 2.1/2745=1, ~754=1 HB3 LEU 51 - HA ILE 68 OK 11 100 - 11 - ~5178=2, ~4520=2, 5221/4.0=1 HD3 LYS 32 - HA ILE 68 OK 10 98 - 10 - 3.5/4748=1, 3.5/4748=1 HD2 LYS 32 - HA ILE 68 OK 10 99 - 10 - 3.5/4748=1, 3.5/4748=1 HB3 LEU 29 - HA ILE 68 lone 6 76 - 8 - 4.6/3934=2, 3765/3.6=1 HG2 ARG 17 - HA ILE 68 lone 6 92 - 7 - 2932/5985=1 HG3 ARG 17 - HA ILE 68 lone 6 90 - 7 - 2932/5985=1 HG2 ARG 84 - HA ILE 68 lone 6 97 - 6 - 3.0/4748=2 HG3 ARG 84 - HA ILE 68 lone 6 97 - 6 - 3.0/4748=2 HG2 ARG 27 - HA ILE 68 lone 5 63 - 8 - 2.9/5392=1, 2.9/5392=1 HG3 ARG 27 - HA ILE 68 lone 5 60 - 8 - 2.9/5392=1, 2.9/5392=1 HG3 ARG 54 - HA ILE 68 lone 3 65 - 5 - ~5818=1 Peak 5047 from cnoeabs.peaks (3.97, 1.80, 29.46 ppm; 4.28 A): 3 out of 9 assignments used, quality = 0.95: HA VAL 76 + HB2 ARG 69 OK 74 100 - 74 - 3.0/3941=9, 4766/1.8=8...(35) HA2 GLY 72 + HB2 ARG 69 OK 64 98 - 65 - ~15492=15, 5844=12...(18) HA ARG 66 + HB2 ARG 69 OK 50 100 - 50 - 4733/1.8=12, 4733/3.0=8...(15) HA GLU 50 - HB2 ARG 69 OK 31 99 - 32 - 4502/1.8=5, 4502/3.0=4...(16) HA LYS 32 - HB2 ARG 69 OK 31 100 - 31 - 1554/4.3=4, 4766/1.8=4...(11) HA ALA 28 - HB2 ARG 69 OK 15 93 - 16 - 3.6/3941=2, 5379/4.0=2...(6) HA GLN 61 - HB2 ARG 69 OK 11 99 - 11 - 4502/1.8=2, 5379/4.0=1...(4) HA2 GLY 21 - HB2 ARG 69 poor 9 83 - 10 - 4766/1.8=1 HA3 GLY 21 - HB2 ARG 69 poor 8 81 - 10 - 4766/1.8=1 Peak 5048 from cnoeabs.peaks (3.98, 3.63, 59.20 ppm; 4.93 A): 4 out of 11 assignments used, quality = 0.98: HA VAL 76 + HA ARG 69 OK 75 97 - 78 - 5047/3.0=10, 3.0/3940=9...(31) HA2 GLY 72 + HA ARG 69 OK 68 90 - 75 - 3.0/15492=38...(20) HA ARG 66 + HA ARG 69 OK 63 100 - 63 - 4733/3.0=13, 3.0/272=9...(18) HA ARG 70 + HA ARG 69 OK 47 76 - 62 - 3.6/5837=15, ~940=9...(13) HA LYS 32 - HA ARG 69 OK 38 100 - 38 - 1554/3.6=5, 5047/3.0=4...(12) HA GLU 50 - HA ARG 69 OK 29 92 - 32 - 4502/3.0=5, 5047/3.0=4...(13) HA ALA 28 - HA ARG 69 OK 20 81 - 25 - 5379/2.9=3, 3.6/3940=3...(8) HA GLN 61 - HA ARG 69 OK 15 93 - 16 - 5379/2.9=2, 4502/3.0=2...(6) HA2 GLY 21 - HA ARG 69 poor 8 65 - 11 - 5047/3.0=1, 4766/3.0=1 HA3 GLY 21 - HA ARG 69 poor 7 63 - 11 - 5047/3.0=1, 4766/3.0=1 HA ARG 54 - HA ARG 69 lone 5 60 - 8 - 767/3.6=1 Peak 5049 from cnoeabs.peaks (1.72, 4.48, 57.73 ppm; 4.51 A): 4 out of 22 assignments used, quality = 0.95: HG2 ARG 70 + HA ASP 67 OK 66 98 - 68 - 5052=23, 4.9/4792=13...(16) HB3 LEU 64 + HA ASP 67 OK 59 83 - 71 - ~5287=15, ~5020=14...(14) HG3 ARG 66 + HA ASP 67 OK 46 78 - 59 - 4.9/5814=9, 5802/3.0=7...(20) HB2 LEU 43 + HA ASP 46 OK 27 87 - 32 - 4368/3.0=9, ~4369=8...(8) HB2 LEU 43 - HA ASP 67 OK 23 99 - 24 - 4382/3.0=4, ~4744=3...(9) HG2 ARG 70 - HA ASP 46 OK 13 85 - 16 - 5052=5, 5.0/5838=2...(6) HB2 LEU 29 - HA ASP 67 OK 12 100 - 12 - 1483/3.0=2, 4.0/2730=1...(4) HB2 ARG 84 - HA ASP 67 lone 7 98 - 7 - 1.8/6058=2, 4.0/6057=1 HB3 LYS 83 - HA ASP 67 lone 5 100 - 5 - 4.3/6057=1 HB2 ARG 82 - HA ASP 67 lone 4 76 - 5 - HG3 ARG 66 - HA ASP 46 lone 3 64 - 5 - 4.9/5814=1 HB3 LYS 85 - HA ASP 67 lone 3 100 - 3 - HB2 LEU 62 - HA ASP 67 lone 3 60 - 5 - HB2 ARG 84 - HA ASP 46 lone 3 85 - 3 - HB3 ARG 17 - HA ASP 67 lone 3 68 - 4 - HB3 LEU 64 - HA ASP 46 lone 3 68 - 4 - HB2 LEU 29 - HA ASP 46 lone 3 90 - 3 - HB3 LYS 83 - HA ASP 46 lone 2 90 - 2 - HB3 LYS 85 - HA ASP 46 lone 1 88 - 2 - HB3 ARG 17 - HA ASP 46 lone 1 55 - 2 - HB2 ARG 82 - HA ASP 46 lone 1 62 - 1 - HB2 LEU 62 - HA ASP 46 lone 1 48 - 2 - Peak 5050 from cnoeabs.peaks (1.61, 4.48, 57.73 ppm; 4.72 A): 6 out of 40 assignments used, quality = 0.87: HG3 ARG 70 + HA ASP 67 OK 69 100 - 70 - 1.8/5052=22, 4.9/4792=14...(17) HG2 ARG 71 + HA ASP 67 OK 21 97 - 22 - 5.0/5838=10, 2.8/5187=2...(6) HD2 LYS 32 + HA ASP 67 OK 16 100 - 16 - 3.5/6058=2, 3.5/6058=2...(6) HD3 LYS 32 + HA ASP 67 OK 16 100 - 16 - 3.5/6058=2, 3.5/6058=2...(6) HG2 ARG 26 + HA ASP 67 OK 15 95 - 15 - 4.9/4169=4, ~278=2...(7) HG3 ARG 70 + HA ASP 46 OK 14 89 - 15 - 1.8/5052=5, 5.0/5838=3...(6) HG2 ARG 27 - HA ASP 67 poor 10 76 - 13 - 5.0/5383=3, 1.8/5346=2...(4) HG3 ARG 27 - HA ASP 67 poor 9 73 - 13 - 5.0/5383=3, 1.8/5346=2...(4) HB3 LEU 29 - HA ASP 67 poor 7 63 - 11 - 1.8/5049=2, ~1483=2...(5) HB2 LEU 86 - HA ASP 67 lone 6 99 - 6 - 4.6/3931=2 HG2 ARG 84 - HA ASP 67 lone 6 92 - 7 - 3.0/6058=2, 5.0/6057=1 HG3 ARG 84 - HA ASP 67 lone 6 92 - 7 - 3.0/6058=2, 5.0/6057=1 HD2 LYS 73 - HA ASP 67 lone 5 100 - 5 - ~5805=1 HD3 LYS 73 - HA ASP 67 lone 5 100 - 5 - ~5805=1 HG LEU 86 - HA ASP 67 lone 5 97 - 5 - ~5803=1 HG2 ARG 71 - HA ASP 46 lone 5 83 - 6 - 5.0/5838=3 HG2 ARG 26 - HA ASP 46 lone 5 81 - 6 - 4.9/4169=3 HG2 ARG 17 - HA ASP 67 lone 5 97 - 5 - HG3 ARG 17 - HA ASP 67 lone 5 97 - 5 - HB3 LEU 62 - HA ASP 67 lone 5 83 - 6 - HB3 LEU 51 - HA ASP 67 lone 4 98 - 4 - 5670/4507=1 HG2 ARG 27 - HA ASP 46 lone 4 62 - 6 - 5.0/5383=2 HG3 ARG 27 - HA ASP 46 lone 4 60 - 6 - 5.0/5383=2 HB3 LEU 51 - HA ASP 46 lone 3 85 - 3 - 5670/4507=2 HD2 LYS 32 - HA ASP 46 lone 2 89 - 3 - HD3 LYS 32 - HA ASP 46 lone 2 89 - 3 - HG2 ARG 84 - HA ASP 46 lone 2 78 - 3 - HG3 ARG 84 - HA ASP 46 lone 2 78 - 3 - HG2 ARG 17 - HA ASP 46 lone 2 84 - 2 - HG3 ARG 17 - HA ASP 46 lone 2 83 - 2 - HB2 LEU 86 - HA ASP 46 lone 2 88 - 2 - HD2 LYS 73 - HA ASP 46 lone 2 89 - 2 - HD3 LYS 73 - HA ASP 46 lone 2 89 - 2 - HD2 LYS 39 - HA ASP 67 lone 2 71 - 2 - HG LEU 86 - HA ASP 46 lone 2 84 - 2 - HD3 LYS 39 - HA ASP 67 lone 1 68 - 2 - HB3 LEU 62 - HA ASP 46 lone 1 68 - 2 - HB3 LEU 29 - HA ASP 46 lone 1 50 - 3 - HD2 LYS 39 - HA ASP 46 lone 1 57 - 2 - HD3 LYS 39 - HA ASP 46 lone 1 55 - 2 - Peak 5051 from cnoeabs.peaks (4.47, 1.95, 29.80 ppm; 3.72 A): 4 out of 18 assignments used, quality = 0.91: HA ASP 67 + HB2 ARG 70 OK 56 98 - 58 - 4792/4.1=11, 5052/2.9=10...(20) HA ASP 67 + HB3 ARG 70 OK 56 98 - 58 - 4792/4.1=11, 5052/2.9=10...(20) HA ASP 67 + HB3 ARG 66 OK 43 85 - 51 - 4742=8, 3.0/279=8...(18) HA PRO 14 + HB3 ARG 66 OK 14 80 - 18 - 1095/1.8=3, ~1102=2...(6) HA ASP 24 - HB2 ARG 70 poor 9 85 - 11 - 5052/2.9=2, 5838/4.4=2...(4) HA ASP 24 - HB3 ARG 70 poor 9 85 - 11 - 5052/2.9=2, 5838/4.4=2...(4) HA ASP 46 - HB2 ARG 70 poor 8 71 - 11 - 5052/2.9=2, 4792/4.1=2...(6) HA ASP 46 - HB3 ARG 70 poor 8 71 - 11 - 5052/2.9=2, 4792/4.1=2...(6) HA TYR 81 - HB3 ARG 70 lone 6 99 - 6 - 4792/4.1=2, 5052/2.9=1 HA TYR 81 - HB2 ARG 70 lone 6 99 - 6 - 4792/4.1=2, 5052/2.9=1 HA SER 22 - HB2 ARG 70 lone 5 83 - 5 - 4792/4.1=1 HA SER 22 - HB3 ARG 70 lone 5 83 - 5 - 4792/4.1=1 HA PRO 14 - HB2 ARG 70 lone 5 95 - 5 - 4792/4.1=2 HA PRO 14 - HB3 ARG 70 lone 5 95 - 5 - 4792/4.1=2 HA ASP 24 - HB3 ARG 66 lone 4 70 - 6 - HA ASP 46 - HB3 ARG 66 lone 4 57 - 7 - 748/4.6=3 HA TYR 81 - HB3 ARG 66 lone 2 86 - 2 - HA SER 22 - HB3 ARG 66 lone 2 68 - 2 - Peak 5052 from cnoeabs.peaks (4.48, 1.71, 27.11 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.76: HA ASP 67 + HG2 ARG 70 OK 67 100 - 67 - 4792/4.9=15, 5838/5.0=12...(18) HA ASP 24 + HG2 ARG 70 OK 16 99 - 16 - 5838/5.0=5, 4792/4.9=3...(5) HA ASP 46 + HG2 ARG 70 OK 14 95 - 15 - 5838/5.0=3, 5049=2...(6) HA TYR 81 - HG2 ARG 70 poor 9 83 - 11 - 4792/4.9=2, 5838/5.0=1...(4) HA PRO 14 - HG2 ARG 70 lone 6 71 - 8 - 4792/4.9=2 Peak 5057 from cnoeabs.peaks (1.38, 2.78, 38.52 ppm; 4.94 A): 5 out of 39 assignments used, quality = 0.93: QB ALA 77 + HB3 ASN 74 OK 57 99 - 58 - 16041/3.0=43, ~6039=9...(7) QB ALA 77 + HB3 ASN 80 OK 52 66 - 79 - ~15859=34, ~5859=24...(12) QB ALA 77 + HB2 ASN 74 OK 32 55 - 58 - 16041/3.0=43, ~6039=9...(6) HG3 LYS 75 + HB3 ASN 74 OK 28 99 - 28 - 4.8/335=14, 4.9/5855=6...(8) HG2 LYS 75 + HB3 ASN 74 OK 28 99 - 28 - 4.8/335=14, 4.9/5855=6...(8) QB ALA 78 - HB3 ASN 80 OK 20 67 - 29 - ~5859=6, 6040/3.0=5...(8) QB ALA 78 - HB3 ASN 74 OK 15 100 - 15 - 6040/3.0=6, 327/4.0=2...(5) HG2 LYS 75 - HB2 ASN 74 OK 14 55 - 26 - 4.9/5855=10, 4.8/334=9...(7) HG3 LYS 75 - HB2 ASN 74 OK 14 55 - 26 - 4.9/5855=10, 4.8/334=9...(7) HG3 LYS 73 - HB3 ASN 74 OK 14 100 - 14 - 327/4.0=4, 6041/3.0=2...(5) HG2 LYS 85 - HB3 ASN 74 OK 12 100 - 12 - ~6055=3, 5892/4.6=2...(4) HG2 LYS 83 - HB3 ASN 80 OK 10 59 - 18 - ~6055=6, 5874/1.8=2...(6) HG2 LYS 75 - HB3 ASN 80 poor 9 66 - 14 - 5874/1.8=2, 6019/3.5=2...(6) HG3 LYS 75 - HB3 ASN 80 poor 9 66 - 14 - 5874/1.8=2, 6019/3.5=2...(6) HG2 LYS 83 - HB3 ASN 74 lone 9 93 - 9 - ~6055=3, 6041/3.0=1 HG2 LYS 85 - HB3 ASN 80 poor 9 67 - 13 - ~6055=3, 5874/1.8=2...(4) HB3 ARG 69 - HB3 ASN 74 lone 9 96 - 9 - 327/4.0=2, 805/4.6=2 HG3 ARG 69 - HB3 ASN 74 lone 8 99 - 8 - 327/4.0=2, 806/4.6=1 QB ALA 78 - HB2 ASN 74 poor 8 56 - 14 - 6040/3.0=6, 327/4.0=2...(4) HG3 LYS 73 - HB2 ASN 74 poor 8 56 - 14 - 327/4.0=4, 6041/3.0=2...(5) HG3 LYS 39 - HB3 ASN 74 lone 6 78 - 8 - 4.1/5202=2, 806/4.6=2 HG2 LYS 85 - HB2 ASN 74 poor 6 56 - 11 - ~6055=3, 5892/4.6=2...(4) QB ALA 53 - HB3 ASN 80 lone 6 64 - 9 - 6019/3.5=3, 5874/1.8=2 QB ALA 20 - HB3 ASN 80 lone 6 67 - 8 - 5874/1.8=1, 6019/3.5=1...(4) HG3 ARG 69 - HB3 ASN 80 lone 5 67 - 7 - 6019/3.5=2, 5874/1.8=1 HG3 ARG 69 - HB2 ASN 74 lone 5 56 - 8 - 327/4.0=2, 3944/5855=2 HB3 ARG 69 - HB2 ASN 74 lone 5 51 - 9 - 327/4.0=2, 805/4.6=2 HG3 LYS 73 - HB3 ASN 80 lone 4 67 - 7 - 6019/3.5=2, 5874/1.8=1 QB ALA 53 - HB3 ASN 74 lone 4 97 - 5 - HB3 ARG 69 - HB3 ASN 80 lone 4 61 - 7 - 6019/3.5=2, 5874/1.8=1 HG2 LYS 83 - HB2 ASN 74 lone 4 49 - 9 - ~6055=3, 6041/3.0=1 QB ALA 20 - HB3 ASN 74 lone 4 100 - 3 - QB ALA 53 - HB2 ASN 74 lone 3 53 - 7 - 3.6/4965=3 HG3 LYS 39 - HB3 ASN 80 lone 3 46 - 6 - 4.1/5202=1, 6019/3.5=1 HG3 LYS 39 - HB2 ASN 74 lone 2 38 - 6 - 805/4.6=2 QB ALA 20 - HB2 ASN 74 lone 2 56 - 3 - QB ALA 16 - HB3 ASN 74 lone 2 76 - 2 - QB ALA 16 - HB3 ASN 80 lone 1 45 - 2 - QB ALA 16 - HB2 ASN 74 lone 1 37 - 2 - Peak 5058 from cnoeabs.peaks (1.38, 2.81, 38.52 ppm; 4.91 A): 9 out of 26 assignments used, quality = 0.93: QB ALA 77 + HB2 ASN 74 OK 58 99 - 58 - 16041/3.0=43, ~6039=9...(7) HG3 LYS 75 + HB2 ASN 74 OK 33 99 - 33 - 4.8/334=16, 4.9/5855=12...(7) HG2 LYS 75 + HB2 ASN 74 OK 33 99 - 33 - 4.8/334=16, 4.9/5855=12...(7) QB ALA 77 + HB3 ASN 74 OK 30 55 - 55 - 16041/3.0=43, ~6039=9...(5) QB ALA 78 + HB2 ASN 74 OK 15 100 - 15 - 6040/3.0=6, 327/4.0=2...(5) HG3 LYS 73 + HB2 ASN 74 OK 13 100 - 14 - 327/4.0=4, 6041/3.0=2...(5) HG2 LYS 75 + HB3 ASN 74 OK 13 55 - 23 - 4.8/334=9, 4.9/5855=7...(7) HG3 LYS 75 + HB3 ASN 74 OK 13 55 - 23 - 4.8/334=9, 4.9/5855=7...(7) HG2 LYS 85 + HB2 ASN 74 OK 11 100 - 12 - ~6055=3, 5892/4.6=2...(4) HB3 ARG 69 - HB2 ASN 74 lone 9 96 - 9 - 327/4.0=2, 806/4.6=2 HG3 ARG 69 - HB2 ASN 74 lone 9 99 - 9 - 3944/5855=2, 327/4.0=2 QB ALA 53 - HB2 ASN 74 lone 8 97 - 9 - 3.6/4965=5 HG2 LYS 83 - HB2 ASN 74 lone 8 93 - 9 - ~6055=3, 6041/3.0=1 QB ALA 78 - HB3 ASN 74 poor 8 56 - 14 - 6040/3.0=6, 327/4.0=2...(4) HG3 LYS 73 - HB3 ASN 74 poor 7 56 - 13 - 327/4.0=4, 6041/3.0=2...(5) HG2 LYS 85 - HB3 ASN 74 poor 6 56 - 11 - ~6055=3, 5892/4.6=2...(4) HG3 LYS 39 - HB2 ASN 74 lone 5 78 - 6 - 805/4.6=2 HG3 ARG 69 - HB3 ASN 74 lone 4 56 - 8 - 327/4.0=2, 805/4.6=1 HB3 ARG 69 - HB3 ASN 74 lone 4 51 - 8 - 327/4.0=2, 805/4.6=2 HG2 LYS 83 - HB3 ASN 74 lone 4 49 - 9 - ~6055=3, 6041/3.0=1 QB ALA 20 - HB2 ASN 74 lone 3 100 - 3 - HG3 LYS 39 - HB3 ASN 74 lone 2 38 - 6 - 806/4.6=2 QB ALA 53 - HB3 ASN 74 lone 2 53 - 4 - QB ALA 20 - HB3 ASN 74 lone 2 56 - 3 - QB ALA 16 - HB2 ASN 74 lone 2 76 - 2 - QB ALA 16 - HB3 ASN 74 lone 1 37 - 2 - Peak 5061 from cnoeabs.peaks (4.00, 1.82, 32.45 ppm; 4.68 A): 5 out of 18 assignments used, quality = 0.78: * HA ARG 70 + HB2 LYS 73 OK 42 100 - 42 - 5987/4.0=14, 5984/1.8=6...(14) HA ARG 70 + HB2 LYS 75 OK 27 77 - 35 - 5984/1.8=6, 5391/4.0=5...(12) HA LYS 32 + HB2 LYS 73 OK 22 71 - 32 - 5987/4.0=7, ~4205=2...(14) HA ARG 54 + HB2 LYS 73 OK 20 99 - 20 - 5987/4.0=6, 4967/2.9=3...(6) HA ARG 70 + HB2 LYS 85 OK 17 78 - 21 - 5391/4.0=4, 2844/1.8=3...(8) HA ARG 54 - HB2 LYS 75 poor 9 75 - 12 - 4967/2.7=2, 4967/2.7=2, ~209=1 HA ARG 66 - HB2 LYS 73 lone 5 71 - 7 - 5987/4.0=3, 4733/2.9=1 HA LYS 32 - HB2 LYS 75 poor 5 47 - 11 - 1554/4.6=2 HA PHE 48 - HB2 LYS 85 lone 4 44 - 10 - ~4458=2, 4463/1.8=1...(5) HB2 SER 22 - HB2 LYS 73 lone 4 98 - 4 - HA ARG 66 - HB2 LYS 75 lone 4 47 - 8 - 4733/2.7=1, 4733/2.7=1...(4) HA LYS 32 - HB2 LYS 85 lone 3 48 - 6 - HB2 SER 22 - HB2 LYS 75 lone 3 73 - 4 - 5499=1 HA ARG 54 - HB2 LYS 85 lone 3 76 - 3 - HA PHE 48 - HB2 LYS 73 lone 3 65 - 4 - HA ARG 66 - HB2 LYS 85 lone 2 48 - 4 - HB2 SER 22 - HB2 LYS 85 lone 1 74 - 2 - HA PHE 48 - HB2 LYS 75 lone 1 43 - 2 - Peak 5069 from cnoeabs.peaks (1.99, 1.99, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 31 + QE MET 31 OK 100 100 - 100 Peak 5070 from cnoeabs.peaks (1.67, 1.99, 16.73 ppm; 4.10 A): 4 out of 11 assignments used, quality = 0.89: HB3 GLN 61 + QE MET 31 OK 73 97 - 76 - 1.8/5076=15, 4.6/5930=14...(23) HB3 LEU 64 + QE MET 31 OK 42 65 - 64 - 4.0/5082=15, 3.1/5074=12...(17) HG LEU 29 + QE MET 31 OK 19 100 - 19 - 2.1/5074=5, 4.9/5087=4...(4) HG3 ARG 66 + QE MET 31 OK 12 71 - 17 - 4.1/5079=2, ~5191=2...(9) HD2 LYS 13 - QE MET 31 lone 8 100 - 8 - 2.9/5071=1 HD3 LYS 13 - QE MET 31 lone 8 100 - 8 - 2.9/5071=1 HB3 LYS 13 - QE MET 31 lone 7 97 - 7 - 3.0/5071=1 HD3 LYS 75 - QE MET 31 lone 4 99 - 4 - HD2 LYS 75 - QE MET 31 lone 4 99 - 4 - HG2 ARG 23 - QE MET 31 lone 4 100 - 4 - HB2 ARG 82 - QE MET 31 lone 2 73 - 2 - Peak 5071 from cnoeabs.peaks (1.46, 1.99, 16.73 ppm; 4.39 A): 4 out of 10 assignments used, quality = 0.95: HB3 LEU 57 + QE MET 31 OK 61 97 - 63 - 3.1/5075=16, 4601/3.3=12...(15) QB ALA 30 + QE MET 31 OK 54 95 - 57 - 6116/3.3=16, 5305/3.3=15...(8) HG12 ILE 33 + QE MET 31 OK 51 93 - 55 - 2.1/5075=17, ~4847=8...(12) HB3 LEU 43 + QE MET 31 OK 44 81 - 55 - 3.1/5074=11, 3.1/5073=10...(18) QB ALA 63 - QE MET 31 OK 24 63 - 39 - 3.6/5082=19, 4.9/5081=8...(9) HB3 LEU 52 - QE MET 31 OK 23 92 - 25 - 3.9/5082=8, 3.0/5078=5...(5) HG13 ILE 89 - QE MET 31 OK 19 85 - 22 - 3.2/5074=4, 2.1/5074=2...(10) HG3 LYS 13 - QE MET 31 OK 14 100 - 14 - 2.9/5070=1, 2.9/5070=1...(4) HG3 LYS 85 - QE MET 31 lone 5 100 - 5 - HG2 LYS 73 - QE MET 31 lone 3 83 - 4 - Peak 5073 from cnoeabs.peaks (0.94, 1.99, 16.73 ppm; 4.04 A): 5 out of 8 assignments used, quality = 0.88: QD1 LEU 64 + QE MET 31 OK 65 96 - 68 - 2.1/5074=15, 4.4/5082=13...(16) QD2 LEU 43 + QE MET 31 OK 51 100 - 51 - 2.1/5074=12, 2041=6...(18) QG2 VAL 41 + QE MET 31 OK 16 99 - 16 - 3823/6.0=2, 1981/4.3=2...(6) QG2 VAL 76 + QE MET 31 OK 10 78 - 13 - 3.2/5079=3, 3.9/5087=2...(4) QG1 VAL 76 + QE MET 31 OK 10 78 - 13 - 3.2/5079=3, 3.9/5087=2...(4) QD2 LEU 62 - QE MET 31 lone 8 95 - 9 - 4.8/5774=2 QG2 ILE 40 - QE MET 31 lone 7 95 - 7 - 3.2/5125=1 HG12 ILE 68 - QE MET 31 lone 7 78 - 8 - 2.1/5252=2 Peak 5074 from cnoeabs.peaks (0.83, 1.99, 16.73 ppm; 3.45 A): 4 out of 7 assignments used, quality = 0.84: QD2 LEU 64 + QE MET 31 OK 57 98 - 58 - 5021/3.3=10, 2.1/5073=10...(15) QD1 LEU 43 + QE MET 31 OK 46 99 - 46 - 2.1/5073=8, 2034=7...(17) QD2 LEU 29 + QE MET 31 OK 19 98 - 20 - 4200/3.3=3, 4198/3.3=3...(7) QG2 ILE 89 + QE MET 31 OK 17 99 - 17 - 4200/3.3=3, 4198/3.3=3...(7) QD2 LEU 86 - QE MET 31 lone 9 100 - 8 - 4198/3.3=1, 4200/3.3=1 QD1 ILE 89 - QE MET 31 poor 8 71 - 11 - 4198/3.3=1, 2.1/5071=1...(5) QG2 ILE 68 - QE MET 31 lone 4 65 - 6 - 2.9/5252=1 Peak 5075 from cnoeabs.peaks (0.71, 1.99, 16.73 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 57 + QE MET 31 OK 68 100 - 68 - 4847/3.3=12, 4602/3.3=12...(19) QD1 ILE 33 + QE MET 31 OK 60 100 - 61 - 4225/3.3=13, 5322/3.3=12...(19) Peak 5076 from cnoeabs.peaks (2.50, 1.99, 16.73 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.93: HG3 MET 31 + QE MET 31 OK 83 83 - 100 - 3.3=100 HB2 GLN 61 + QE MET 31 OK 61 78 - 78 - 1.8/5070=15, 4.6/5930=14...(25) HB2 PRO 44 - QE MET 31 lone 6 71 - 9 - ~1551=2, ~1545=2...(5) Peak 5077 from cnoeabs.peaks (2.62, 1.99, 16.73 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: HG2 MET 31 + QE MET 31 OK 100 100 - 100 - 3.3=100 HG2 GLN 61 + QE MET 31 OK 52 78 - 67 - 3.5/5930=12, 3.0/5076=10...(24) HB2 ASP 38 - QE MET 31 OK 15 100 - 15 - 3.0/5081=3, 1534/4.3=2...(7) HB3 ASP 38 - QE MET 31 OK 15 100 - 15 - 3.0/5081=3, 1534/4.3=2...(7) Peak 5078 from cnoeabs.peaks (3.83, 1.99, 16.73 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.46: HB3 SER 60 + QE MET 31 OK 26 97 - 27 - 4651=9, 1.8/4651=9...(4) HB2 SER 60 + QE MET 31 OK 26 97 - 27 - 4651=9, 1.8/4651=9...(4) HA LEU 52 - QE MET 31 poor 8 71 - 11 - 3.0/5082=5, 3.0/5071=1 Peak 5079 from cnoeabs.peaks (3.96, 1.99, 16.73 ppm; 3.63 A): 6 out of 10 assignments used, quality = 0.92: HA GLN 61 + QE MET 31 OK 70 100 - 70 - 5232=17, 3.0/5083=10...(25) HA ALA 28 + QE MET 31 OK 36 100 - 36 - 5530/3.3=10, ~5533=4...(10) HA GLU 50 + QE MET 31 OK 22 100 - 22 - 5232=5, 2526/3.3=3...(9) HA VAL 76 + QE MET 31 OK 21 100 - 21 - 6044=3, 3.0/5087=2...(10) HA ARG 66 + QE MET 31 OK 18 93 - 20 - 3.6/5087=3, 2678=2...(7) HA LYS 32 + QE MET 31 OK 18 93 - 19 - 3.0/5087=5, ~3774=3...(7) HA2 GLY 21 - QE MET 31 lone 9 97 - 9 - HA3 GLY 21 - QE MET 31 lone 9 96 - 9 - HA2 GLY 72 - QE MET 31 lone 6 100 - 6 - HA THR 37 - QE MET 31 lone 4 65 - 6 - Peak 5080 from cnoeabs.peaks (4.42, 1.99, 16.73 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.89: HA MET 31 + QE MET 31 OK 80 100 - 80 - 5.4=46, 1529/3.3=19...(11) HA THR 58 + QE MET 31 OK 46 89 - 53 - 1549/3.3=12, 1543/3.3=11...(11) HA ASP 47 - QE MET 31 lone 3 63 - 5 - 4454/6.0=1 Peak 5081 from cnoeabs.peaks (4.27, 1.99, 16.73 ppm; 4.33 A): 3 out of 13 assignments used, quality = 0.80: HA LEU 64 + QE MET 31 OK 55 95 - 58 - 3.0/5082=21, 3.9/5074=11...(14) HA SER 60 + QE MET 31 OK 46 100 - 46 - 3.0/5078=18, 3.0/5078=18...(5) HA ASP 38 + QE MET 31 OK 18 99 - 18 - 5355/4.3=4, 3.0/5077=3...(5) HA LYS 39 - QE MET 31 lone 6 76 - 8 - 728/5082=1 HA LYS 75 - QE MET 31 lone 5 60 - 9 - 3.6/5087=3, 4.7/5079=2 HA ARG 17 - QE MET 31 lone 4 100 - 4 - HA ALA 20 - QE MET 31 lone 3 96 - 3 - HA LEU 86 - QE MET 31 lone 2 60 - 4 - 4.0/5074=2 HA THR 15 - QE MET 31 lone 2 65 - 4 - HA GLU 19 - QE MET 31 lone 2 90 - 2 - HA THR 88 - QE MET 31 lone 2 99 - 2 - HA ALA 12 - QE MET 31 lone 2 92 - 2 - HA LYS 83 - QE MET 31 lone 1 57 - 2 - Peak 5082 from cnoeabs.peaks (7.42, 1.99, 16.73 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.65: H LEU 64 + QE MET 31 OK 54 100 - 54 - 3.0/5081=12, 4.4/5074=10...(14) H LEU 52 + QE MET 31 OK 25 99 - 25 - 3.0/5078=5, 5687/6.0=3...(10) Peak 5083 from cnoeabs.peaks (7.69, 1.99, 16.73 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.94: H GLN 61 + QE MET 31 OK 78 98 - 80 - 4656=13, 711/3.3=13...(24) H MET 31 + QE MET 31 OK 73 90 - 81 - 6.0=34, 3.0/5080=19...(15) H TYR 55 - QE MET 31 OK 21 100 - 21 - 5733/4.3=3, 1548/3.3=2...(8) H ASN 42 - QE MET 31 OK 11 65 - 17 - 1530/4.3=3, 1542/3.3=2...(7) Peak 5087 from cnoeabs.peaks (7.94, 1.99, 16.73 ppm; 5.12 A): 5 out of 5 assignments used, quality = 0.92: H LYS 32 + QE MET 31 OK 58 100 - 58 - 3.6/5080=23, 3774/3.3=14...(9) H LEU 29 + QE MET 31 OK 47 93 - 51 - 5525/6.0=10, 3774/3.3=8...(10) H ASP 67 + QE MET 31 OK 38 99 - 39 - 3774/3.3=5, 3772/4.3=5...(12) H VAL 76 + QE MET 31 OK 25 78 - 32 - 3.0/5079=4, 3775/3.3=4...(12) H ARG 70 + QE MET 31 OK 21 92 - 22 - 3774/3.3=3, 3775/3.3=3...(6) Peak 5092 from cnoeabs.peaks (8.21, 2.27, 31.85 ppm; 5.79 A): 2 out of 8 assignments used, quality = 0.98: H THR 15 + HB2 PRO 14 OK 97 97 - 100 - 4.0=100 H SER 22 + HB2 PRO 14 OK 51 100 - 51 - 2.9/5500=17, 3.9/5498=16...(9) H GLU 25 - HB2 PRO 14 OK 37 93 - 40 - 523=7, 4833/1.8=5...(12) H ALA 12 - HB2 PRO 14 OK 13 73 - 18 - 4.1/1102=6, 4.1/1104=4...(5) H GLN 79 - HB2 PRO 14 OK 12 100 - 12 - 4.0/1104=2, 4.0/1103=1...(5) H ALA 28 - HB2 PRO 14 OK 11 100 - 11 - 1128/4.9=2, 6057/2.3=2, ~4837=1 H ARG 84 - HB2 PRO 14 lone 7 90 - 7 - 1128/4.9=3, 6057/2.3=1 H ALA 77 - HB2 PRO 14 lone 5 97 - 5 - 1128/4.9=1 Peak 5094 from cnoeabs.peaks (3.91, 2.05, 29.32 ppm; 3.90 A): 6 out of 35 assignments used, quality = 0.86: HB3 SER 22 + HB3 GLU 25 OK 36 81 - 45 - 5084/4.0=9, 5498/3.0=8...(10) HB3 SER 22 + HB2 GLU 25 OK 36 81 - 45 - 5084/4.0=9, 5498/3.0=8...(10) HA LEU 51 + HB3 GLU 50 OK 26 51 - 51 - 3.0/190=10, ~190=6...(15) HA LEU 51 + HB2 GLU 50 OK 26 51 - 51 - 3.0/190=10, ~190=6...(15) HA THR 37 + HB3 GLU 25 OK 20 81 - 25 - ~5105=6, ~5513=5...(7) HA THR 37 + HB2 GLU 25 OK 20 81 - 25 - ~5105=6, ~5513=5...(7) HA LEU 51 - HB3 GLU 25 poor 9 78 - 11 - 5084/4.0=2, 5679/1.8=1...(4) HA LEU 51 - HB2 GLU 25 poor 9 78 - 11 - 5084/4.0=2, 5679/1.8=1...(4) HB3 SER 22 - HB3 GLU 50 poor 7 53 - 13 - 658/4.7=3, 4155=2...(7) HB3 SER 22 - HB2 GLU 50 poor 7 53 - 13 - 658/4.7=3, 4155=2...(7) HA LEU 62 - HB2 GLU 50 lone 5 70 - 7 - 4998/3.0=2, ~3901=1 HA LEU 62 - HB3 GLU 50 lone 5 70 - 7 - 4998/3.0=2, ~3901=1 HA2 GLY 18 - HB2 GLU 25 lone 3 94 - 3 - HA2 GLY 18 - HB3 GLU 25 lone 3 95 - 3 - HA3 GLY 18 - HB2 GLU 25 lone 3 93 - 3 - HA3 GLY 18 - HB3 GLU 25 lone 3 93 - 3 - HA LEU 62 - HB2 GLU 25 lone 3 98 - 3 - HA LEU 62 - HB3 GLU 25 lone 3 98 - 3 - HA THR 37 - HB3 PRO 56 lone 3 38 - 7 - HA ILE 33 - HB2 GLU 50 lone 2 43 - 5 - 658/4.7=3 HA ILE 33 - HB3 GLU 50 lone 2 43 - 5 - 658/4.7=3 HA2 GLY 18 - HB3 GLU 50 lone 1 66 - 2 - HA2 GLY 18 - HB2 GLU 50 lone 1 66 - 2 - HA3 GLY 18 - HB3 GLU 50 lone 1 64 - 2 - HA3 GLY 18 - HB2 GLU 50 lone 1 64 - 2 - HA THR 37 - HB2 GLU 50 lone 1 53 - 2 - HA THR 37 - HB3 GLU 50 lone 1 53 - 2 - HA ILE 33 - HB2 GLU 25 lone 1 68 - 2 - HA ILE 33 - HB3 GLU 25 lone 1 68 - 2 - HA LEU 51 - HB3 PRO 56 lone 1 36 - 3 - HB3 SER 22 - HB3 PRO 56 lone 1 38 - 3 - HA LEU 62 - HB3 PRO 56 lone 1 51 - 1 - HA2 GLY 18 - HB3 PRO 56 lone 1 47 - 1 - HA3 GLY 18 - HB3 PRO 56 lone 0 46 - 1 - HA ILE 33 - HB3 PRO 56 lone 0 30 - 1 - Peak 5095 from cnoeabs.peaks (0.95, 1.85, 30.20 ppm; 4.01 A): 6 out of 80 assignments used, quality = 0.93: QD1 LEU 64 + HB3 ARG 23 OK 47 81 - 59 - 5022=8, 2651/3.0=7...(27) QD1 LEU 64 + HB2 ARG 23 OK 47 80 - 59 - 5022=8, 2651/3.0=7...(27) QD1 LEU 64 + HB3 ARG 27 OK 33 99 - 33 - 5013/4.3=7, 5022=4...(14) QD1 LEU 64 + HB2 ARG 27 OK 33 99 - 33 - 5013/4.3=7, 5022=4...(14) QD1 LEU 64 + HB2 ARG 66 OK 29 59 - 50 - 6102/1.8=8, 4741/4.6=8...(17) QG2 ILE 40 + HB3 PRO 34 OK 21 35 - 60 - 1942/2.3=12, ~1935=9...(16) QD1 LEU 64 - HB3 ARG 71 OK 19 99 - 19 - 5022=2, 5022/1.8=2...(7) QD1 LEU 64 - HB2 ARG 71 OK 19 99 - 19 - 5022=2, 5022/1.8=2...(7) HG12 ILE 68 - HB3 ARG 71 OK 18 63 - 28 - 2.1/5974=5, 4.0/5392=4...(8) HG12 ILE 68 - HB2 ARG 71 OK 18 63 - 28 - 2.1/5974=5, 4.0/5392=4...(8) QD2 LEU 62 - HB3 ARG 71 OK 14 85 - 16 - 5834/4.0=2, 5055/4.4=2...(5) QD2 LEU 62 - HB2 ARG 71 OK 14 85 - 16 - 5834/4.0=2, 5055/4.4=2...(5) QG2 VAL 41 - HB2 ARG 71 OK 14 93 - 15 - 5055/4.4=5, 5834/4.0=3...(4) QG2 VAL 41 - HB3 ARG 71 OK 14 93 - 15 - 5055/4.4=5, 5834/4.0=3...(4) QD2 LEU 62 - HB2 ARG 26 OK 11 42 - 26 - 5962/3.9=4, 5958/3.5=3...(10) QD2 LEU 62 - HB3 ARG 26 OK 10 40 - 26 - 5962/3.9=4, 5958/3.5=3...(10) HG12 ILE 68 - HB2 ARG 66 poor 9 31 - 28 - 2.1/5974=4, ~5251=3...(12) QD1 LEU 64 - HB2 ARG 26 poor 8 55 - 15 - 2.1/5028=1, 5022=1...(5) QD2 LEU 43 - HB2 ARG 66 poor 8 60 - 13 - 4741/4.6=3 QD1 LEU 64 - HB3 ARG 26 poor 8 52 - 15 - 2.1/5028=1, 5022=1...(6) QG2 VAL 41 - HB2 ARG 66 poor 8 52 - 15 - 4741/4.6=3, 4336/3.0=2...(4) QG2 ILE 40 - HB3 ARG 71 lone 8 85 - 9 - 4326/4.4=3, 5834/4.0=2 QG2 ILE 40 - HB2 ARG 71 lone 8 85 - 9 - 4326/4.4=3, 5834/4.0=2 QD2 LEU 43 - HB2 ARG 71 lone 7 100 - 7 - 5834/4.0=1 QD2 LEU 43 - HB3 ARG 71 lone 7 100 - 7 - 5834/4.0=1 HG12 ILE 68 - HB3 ARG 27 poor 7 63 - 11 - 2.1/5974=3, ~5974=2...(4) HG12 ILE 68 - HB2 ARG 27 poor 7 63 - 11 - 2.1/5974=3, ~5974=2...(4) HG12 ILE 68 - HB3 ARG 23 poor 6 45 - 14 - ~4759=3, ~5242=3...(5) HG12 ILE 68 - HB2 ARG 23 poor 6 45 - 14 - ~4759=3, ~5242=3...(5) QG2 VAL 76 - HB2 ARG 71 lone 5 63 - 8 - 5055/4.4=2, 3.9/340=1 QG2 VAL 76 - HB3 ARG 71 lone 5 63 - 8 - 5055/4.4=2, 3.9/340=1 QG1 VAL 76 - HB2 ARG 71 lone 5 63 - 8 - 5055/4.4=2, 3.9/340=1 QG1 VAL 76 - HB3 ARG 71 lone 5 63 - 8 - 5055/4.4=2, 3.9/340=1 HG12 ILE 68 - HB3 PRO 34 poor 5 24 - 21 - ~5247=5, ~5249=4...(6) QD2 LEU 62 - HB2 ARG 66 poor 5 45 - 11 - 4732/4.0=2, 5958/3.4=2 QD2 LEU 43 - HB2 ARG 27 lone 5 100 - 5 - QD2 LEU 43 - HB3 ARG 27 lone 4 100 - 4 - QG2 ILE 40 - HB2 ARG 66 lone 4 45 - 10 - 4741/4.6=3, 4732/4.0=2, ~4734=1 QD2 LEU 43 - HB2 ARG 26 lone 3 56 - 6 - QD2 LEU 43 - HB3 ARG 26 lone 3 53 - 6 - QD2 LEU 43 - HB3 ARG 23 lone 3 82 - 4 - QD2 LEU 43 - HB2 ARG 23 lone 3 81 - 4 - QD2 LEU 62 - HB3 ARG 23 lone 3 64 - 4 - QG2 VAL 76 - HB2 ARG 66 lone 3 31 - 10 - ~6044=1 QG1 VAL 76 - HB2 ARG 66 lone 3 31 - 10 - ~6044=1 QD2 LEU 62 - HB2 ARG 23 lone 3 63 - 4 - QD2 LEU 62 - HB3 ARG 27 lone 3 85 - 3 - QD2 LEU 62 - HB2 ARG 27 lone 3 85 - 3 - QG2 VAL 41 - HB2 ARG 27 lone 3 93 - 3 - QG2 VAL 41 - HB3 ARG 27 lone 3 93 - 3 - QG2 VAL 76 - HB2 ARG 27 lone 3 63 - 4 - 3.9/340=1 QG1 VAL 76 - HB2 ARG 27 lone 3 63 - 4 - 3.9/340=1 QG2 VAL 76 - HB3 ARG 27 lone 3 63 - 4 - 3.9/340=1 QG1 VAL 76 - HB3 ARG 27 lone 3 63 - 4 - 3.9/340=1 HG12 ILE 68 - HB2 ARG 26 lone 2 29 - 8 - 2.1/5974=1 HG12 ILE 68 - HB3 ARG 26 lone 2 27 - 8 - 2.1/5974=1 QG2 ILE 40 - HB3 ARG 27 lone 2 85 - 2 - QG2 VAL 41 - HB3 ARG 23 lone 2 72 - 3 - QG2 ILE 40 - HB2 ARG 27 lone 2 85 - 2 - QG2 VAL 41 - HB2 ARG 23 lone 2 72 - 3 - QG2 ILE 40 - HB3 ARG 23 lone 2 64 - 3 - QG2 ILE 40 - HB2 ARG 23 lone 2 63 - 3 - QD2 LEU 62 - HB3 PRO 34 lone 2 35 - 5 - QG2 ILE 40 - HB2 ARG 26 lone 2 42 - 4 - QD1 LEU 64 - HB3 PRO 34 lone 2 47 - 3 - QG2 VAL 41 - HB3 PRO 34 lone 2 41 - 4 - 4330/129=1 QG2 ILE 40 - HB3 ARG 26 lone 1 40 - 4 - QD2 LEU 43 - HB3 PRO 34 lone 1 48 - 3 - QG2 VAL 41 - HB2 ARG 26 lone 1 48 - 3 - QG2 VAL 41 - HB3 ARG 26 lone 1 46 - 3 - QG2 VAL 76 - HB3 ARG 23 lone 1 45 - 2 - QG1 VAL 76 - HB3 ARG 23 lone 1 45 - 2 - QG2 VAL 76 - HB2 ARG 23 lone 1 45 - 2 - QG1 VAL 76 - HB2 ARG 23 lone 1 45 - 2 - QG2 VAL 76 - HB2 ARG 26 lone 1 29 - 2 - QG1 VAL 76 - HB2 ARG 26 lone 1 29 - 2 - QG2 VAL 76 - HB3 ARG 26 lone 1 27 - 2 - QG1 VAL 76 - HB3 ARG 26 lone 1 27 - 2 - QG2 VAL 76 - HB3 PRO 34 lone 0 24 - 1 - QG1 VAL 76 - HB3 PRO 34 lone 0 24 - 1 - Peak 5096 from cnoeabs.peaks (0.83, 1.85, 30.20 ppm; 4.03 A): 6 out of 70 assignments used, quality = 0.93: QD2 LEU 64 + HB3 ARG 23 OK 40 72 - 56 - 2.1/5022=6, 5028=6...(26) QD2 LEU 64 + HB2 ARG 23 OK 39 72 - 56 - 2.1/5022=6, 5028=6...(26) QD2 LEU 64 + HB2 ARG 27 OK 34 93 - 36 - 5015/4.3=6, 5521/4.1=4...(13) QD2 LEU 64 + HB3 ARG 27 OK 34 93 - 36 - 5015/4.3=6, 5521/4.1=4...(13) QG2 ILE 68 + HB3 ARG 71 OK 33 78 - 42 - ~5985=10, 3.2/5392=5...(12) QG2 ILE 68 + HB2 ARG 71 OK 32 78 - 42 - ~5985=10, 3.2/5392=5...(12) QD2 LEU 64 - HB2 ARG 66 OK 23 52 - 46 - 6103/1.8=6, 5028=5...(16) QG2 ILE 89 - HB3 ARG 27 OK 21 97 - 22 - 5521/4.1=6, 4171/4.3=2...(7) QG2 ILE 89 - HB2 ARG 27 OK 20 97 - 21 - 5521/4.1=6, 4171/4.3=2...(7) QD2 LEU 29 - HB2 ARG 71 OK 16 93 - 17 - ~5348=2, 5349/3.0=2...(8) QD2 LEU 29 - HB3 ARG 71 OK 16 93 - 17 - ~5348=2, 5349/3.0=2...(8) QD2 LEU 64 - HB3 ARG 71 OK 15 93 - 16 - 2.1/5022=2, 5028=2...(5) QD2 LEU 64 - HB2 ARG 71 OK 15 93 - 16 - 2.1/5022=2, 5028=2...(5) QG2 ILE 68 - HB2 ARG 66 OK 11 40 - 29 - 5803/4.6=4, 2.9/5974=4...(14) QG2 ILE 68 - HB2 ARG 27 OK 10 78 - 13 - 4171/4.3=3, 2.9/5974=3...(4) QG2 ILE 68 - HB3 ARG 27 OK 10 78 - 13 - 4171/4.3=3, 2.9/5974=3...(4) QD1 ILE 89 - HB3 ARG 27 OK 10 83 - 13 - ~4807=3, 3634/1.8=1 QD1 ILE 89 - HB2 ARG 27 OK 10 83 - 12 - ~4807=3 QD2 LEU 29 - HB2 ARG 26 poor 10 48 - 21 - 5349/3.0=3, 5521/4.6=2...(8) QD2 LEU 29 - HB2 ARG 27 poor 10 93 - 10 - 5521/4.1=3, 4171/4.3=3 QD2 LEU 29 - HB3 ARG 27 poor 10 93 - 10 - 5521/4.1=3, 4171/4.3=3 QD2 LEU 29 - HB3 ARG 26 poor 9 46 - 21 - 5349/3.0=3, 5521/4.6=2...(8) QD2 LEU 86 - HB2 ARG 71 lone 9 100 - 9 - QD2 LEU 86 - HB3 ARG 71 lone 9 100 - 9 - QD1 LEU 43 - HB2 ARG 27 lone 8 100 - 8 - 5521/4.1=2, 4171/4.3=1 QG2 ILE 68 - HB3 PRO 34 poor 8 32 - 26 - 5249/2.3=7, ~5246=4...(7) QD2 LEU 86 - HB2 ARG 27 lone 8 100 - 8 - 5521/4.1=2, 4171/4.3=1 QD2 LEU 64 - HB2 ARG 26 poor 8 48 - 17 - 5521/4.6=4, 5028=2...(6) QD1 LEU 43 - HB3 ARG 27 lone 8 100 - 8 - 5521/4.1=2, 4171/4.3=1 QD2 LEU 86 - HB3 ARG 27 lone 8 100 - 8 - 5521/4.1=2, 4171/4.3=1 QD2 LEU 64 - HB3 ARG 26 poor 8 46 - 17 - 5521/4.6=4, 5028=2...(6) QD1 LEU 43 - HB2 ARG 71 lone 7 100 - 7 - 5835/4.0=1 QD1 LEU 43 - HB3 ARG 71 lone 7 100 - 7 - 5835/4.0=1 QD1 LEU 43 - HB2 ARG 66 poor 7 60 - 12 - 5803/4.6=2 QG2 ILE 68 - HB3 ARG 23 poor 7 58 - 12 - ~4759=2, ~5242=2...(5) QG2 ILE 68 - HB2 ARG 23 poor 7 57 - 12 - ~4759=2, ~5242=2...(5) QD2 LEU 29 - HB2 ARG 66 poor 7 52 - 13 - ~5373=1 QD1 ILE 89 - HB3 ARG 71 lone 6 83 - 7 - 5056/4.4=1, 5835/4.0=1 QD1 ILE 89 - HB2 ARG 71 lone 6 83 - 7 - 5056/4.4=1, 5835/4.0=1 QD2 LEU 86 - HB2 ARG 26 poor 6 56 - 11 - 5521/4.6=2, 5349/3.0=1 QG2 ILE 89 - HB3 ARG 23 lone 6 76 - 7 - QG2 ILE 89 - HB3 ARG 71 lone 6 96 - 6 - QG2 ILE 89 - HB2 ARG 23 lone 6 76 - 7 - QD2 LEU 86 - HB3 ARG 26 poor 6 54 - 11 - 5521/4.6=2, 5349/3.0=1 QG2 ILE 89 - HB2 ARG 71 lone 5 96 - 6 - QG2 ILE 89 - HB2 ARG 26 poor 5 51 - 11 - 5521/4.6=5, 5998/3.9=1 QG2 ILE 89 - HB3 ARG 26 poor 5 49 - 11 - 5521/4.6=5, 5998/3.9=1 QD1 LEU 43 - HB2 ARG 26 lone 4 56 - 8 - 5521/4.6=2 QD1 LEU 43 - HB3 ARG 26 lone 4 54 - 8 - 5521/4.6=2 QD1 ILE 89 - HB3 ARG 23 lone 4 62 - 6 - QD1 ILE 89 - HB2 ARG 23 lone 4 61 - 6 - QD2 LEU 29 - HB3 ARG 23 lone 4 72 - 5 - QD2 LEU 29 - HB2 ARG 23 lone 4 72 - 5 - QD2 LEU 86 - HB3 PRO 34 lone 4 48 - 8 - 3549/2.3=1 QG2 ILE 68 - HB2 ARG 26 lone 4 37 - 9 - 2.9/5974=1 QD1 LEU 43 - HB3 ARG 23 lone 3 83 - 4 - QD1 LEU 43 - HB2 ARG 23 lone 3 82 - 4 - QG2 ILE 68 - HB3 ARG 26 lone 3 36 - 9 - 2.9/5974=1 QD2 LEU 86 - HB2 ARG 66 lone 3 60 - 5 - QD2 LEU 86 - HB3 ARG 23 lone 3 83 - 4 - QD2 LEU 86 - HB2 ARG 23 lone 3 82 - 4 - QD1 LEU 43 - HB3 PRO 34 lone 2 48 - 3 - 4917/5178=1 QD1 ILE 89 - HB2 ARG 26 lone 2 40 - 4 - QD2 LEU 64 - HB3 PRO 34 lone 1 41 - 4 - QD1 ILE 89 - HB3 ARG 26 lone 1 38 - 4 - QG2 ILE 89 - HB2 ARG 66 lone 1 55 - 2 - QD1 ILE 89 - HB2 ARG 66 lone 1 43 - 2 - QD2 LEU 29 - HB3 PRO 34 lone 1 41 - 2 - QG2 ILE 89 - HB3 PRO 34 lone 1 43 - 2 - QD1 ILE 89 - HB3 PRO 34 lone 1 34 - 2 - Peak 5098 from cnoeabs.peaks (0.84, 3.17, 43.10 ppm; 4.47 A): 6 out of 84 assignments used, quality = 0.93: QD2 LEU 64 + HD2 ARG 23 OK 55 99 - 55 - 2.1/5019=7, 2644/2.9=7...(23) QD2 LEU 64 + HD3 ARG 23 OK 55 99 - 55 - 2.1/5019=7, 2644/2.9=7...(23) QD2 LEU 64 + HD2 ARG 27 OK 25 100 - 26 - 5161/3.0=4, 5161/3.0=4...(8) QD2 LEU 64 + HD3 ARG 27 OK 25 100 - 26 - 5161/3.0=4, 5161/3.0=4...(8) QD2 LEU 64 + HD3 ARG 66 OK 20 47 - 44 - 6103/3.4=6, 2.1/5019=6...(13) QD2 LEU 64 + HD3 ARG 17 OK 20 97 - 21 - 3918/5.6=3, 5161/3.0=2...(7) QD2 LEU 64 - HD2 ARG 17 OK 20 97 - 21 - 3918/5.6=3, 5161/3.0=2...(7) QD2 LEU 64 - HD2 ARG 66 OK 19 44 - 44 - 6103/3.4=6, 2.1/5019=5...(13) QD2 LEU 29 - HD3 ARG 84 OK 14 81 - 18 - 1513/3.5=2, ~1500=1...(5) QD2 LEU 64 - HD2 ARG 26 OK 14 99 - 14 - 2.1/5019=2, 5161/3.0=1...(6) QD2 LEU 64 - HD3 ARG 26 OK 14 99 - 14 - 2.1/5019=2, 5161/3.0=1...(6) QD2 LEU 29 - HD2 ARG 84 OK 14 77 - 18 - 1513/3.5=2, ~1500=1...(5) QD2 LEU 29 - HD2 ARG 26 OK 13 99 - 14 - 5349/4.8=2, 5375/3.5=1...(4) QG2 ILE 89 - HD2 ARG 27 OK 13 100 - 14 - 5521/6.3=5, 3613/3.5=2...(5) QG2 ILE 89 - HD3 ARG 27 OK 13 100 - 14 - 5521/6.3=5, 3613/3.5=2...(5) QD2 LEU 29 - HD3 ARG 26 OK 13 99 - 14 - 5349/4.8=2, 5375/3.5=1...(4) QD2 LEU 64 - HD2 ARG 82 OK 13 75 - 17 - 2644/3.0=3, 2643/3.6=2...(7) QG2 ILE 89 - HD3 ARG 84 OK 11 83 - 14 - 3612/5.1=3, 3613/3.5=3...(4) QG2 ILE 89 - HD2 ARG 84 OK 11 78 - 14 - 3612/5.1=3, 3613/3.5=3...(4) QD2 LEU 86 - HD2 ARG 26 lone 10 98 - 10 - 5349/4.8=1 QD2 LEU 86 - HD3 ARG 26 lone 10 98 - 10 - 5349/4.8=1 QD2 LEU 86 - HD2 ARG 17 lone 10 96 - 10 - 5100/3.0=1, 5100/3.0=1 QD2 LEU 86 - HD3 ARG 17 lone 10 96 - 10 - 5100/3.0=1, 5100/3.0=1 QD2 LEU 29 - HD3 ARG 27 lone 8 100 - 8 - 5521/6.3=2 QD2 LEU 29 - HD2 ARG 27 lone 8 100 - 8 - 5521/6.3=2 QG2 ILE 89 - HD2 ARG 26 lone 7 100 - 7 - 5998/6.1=1 QD2 LEU 29 - HD3 ARG 66 poor 7 47 - 15 - ~5961=1, 2.1/5961=1...(4) QG2 ILE 89 - HD3 ARG 26 lone 7 99 - 7 - 5998/6.1=1 QD2 LEU 86 - HD2 ARG 27 lone 7 99 - 7 - 5521/6.3=1 QD2 LEU 86 - HD3 ARG 27 lone 7 99 - 7 - 5521/6.3=1 QD2 LEU 29 - HD2 ARG 66 poor 7 44 - 15 - ~5961=1, 2.1/5961=1...(4) QD2 LEU 29 - HD3 ARG 23 lone 6 99 - 6 - QD2 LEU 29 - HD2 ARG 23 lone 6 99 - 6 - QD2 LEU 86 - HD3 ARG 84 lone 6 80 - 7 - QD1 LEU 43 - HD2 ARG 26 lone 6 96 - 6 - QD1 LEU 43 - HD3 ARG 26 lone 6 96 - 6 - QD2 LEU 86 - HD2 ARG 84 lone 6 76 - 7 - QD1 LEU 43 - HD3 ARG 84 lone 6 77 - 7 - 2032/3.5=1, 5214/2.9=1 QG2 ILE 89 - HD2 ARG 17 lone 5 98 - 5 - 3613/3.6=1 QG2 ILE 89 - HD3 ARG 17 lone 5 98 - 5 - 3613/3.6=1 QD1 LEU 43 - HD3 ARG 27 lone 5 97 - 5 - 5521/6.3=2 QD1 LEU 43 - HD2 ARG 27 lone 5 97 - 5 - 5521/6.3=2 QD1 LEU 43 - HD2 ARG 84 lone 5 73 - 7 - 2032/3.5=1, 5214/2.9=1 QD2 LEU 64 - HD2 ARG 71 lone 5 59 - 9 - 5028/3.5=1, 5028/3.5=1...(4) QD1 LEU 43 - HD3 ARG 66 poor 5 44 - 11 - QG2 ILE 89 - HD3 ARG 23 lone 5 100 - 5 - QG2 ILE 89 - HD2 ARG 23 lone 5 100 - 5 - QD2 LEU 29 - HD2 ARG 71 lone 5 59 - 8 - 5349/4.7=2 QD1 LEU 43 - HD2 ARG 66 poor 5 41 - 11 - QD2 LEU 64 - HD3 ARG 84 lone 5 81 - 6 - 5015/6.2=1 QD2 LEU 86 - HD2 ARG 23 lone 5 99 - 4 - QD2 LEU 86 - HD3 ARG 23 lone 5 99 - 4 - QD2 LEU 29 - HD3 ARG 17 lone 4 97 - 4 - QD2 LEU 29 - HD2 ARG 17 lone 4 97 - 4 - QD2 LEU 64 - HD2 ARG 84 lone 4 77 - 6 - 5015/6.2=1 QD2 LEU 86 - HD2 ARG 71 lone 4 58 - 7 - QD1 ILE 89 - HD3 ARG 84 lone 4 43 - 9 - 3633/5.1=2, 3634/3.5=1...(4) QD2 LEU 29 - HD2 ARG 82 lone 4 75 - 5 - 1515/3.6=1 QD1 ILE 89 - HD2 ARG 84 lone 4 40 - 9 - 3633/5.1=2, 3634/3.5=1...(4) QD1 LEU 43 - HD2 ARG 23 lone 4 97 - 4 - QD1 LEU 43 - HD3 ARG 23 lone 4 97 - 4 - QD2 LEU 86 - HD3 ARG 66 lone 3 46 - 6 - QD1 LEU 43 - HD2 ARG 71 lone 3 55 - 5 - QD1 ILE 89 - HD2 ARG 27 lone 3 60 - 5 - QD1 ILE 89 - HD3 ARG 27 lone 3 60 - 5 - QD1 LEU 43 - HD2 ARG 17 lone 3 94 - 3 - QD1 LEU 43 - HD3 ARG 17 lone 3 94 - 3 - QD2 LEU 86 - HD2 ARG 66 lone 3 43 - 6 - QG2 ILE 89 - HD2 ARG 71 lone 2 60 - 4 - QD1 ILE 89 - HD3 ARG 17 lone 2 56 - 4 - QD1 ILE 89 - HD2 ARG 17 lone 2 56 - 4 - QG2 ILE 89 - HD2 ARG 82 lone 2 76 - 3 - QD1 ILE 89 - HD2 ARG 26 lone 2 59 - 3 - QD1 ILE 89 - HD3 ARG 26 lone 2 58 - 3 - QD1 ILE 89 - HD2 ARG 23 lone 2 59 - 3 - QD1 ILE 89 - HD3 ARG 23 lone 2 59 - 3 - QD2 LEU 86 - HD2 ARG 82 lone 1 74 - 2 - QD1 LEU 43 - HD2 ARG 82 lone 1 71 - 2 - QD1 ILE 89 - HD2 ARG 71 lone 1 29 - 4 - QG2 ILE 89 - HD3 ARG 66 lone 1 48 - 2 - QG2 ILE 89 - HD2 ARG 66 lone 1 45 - 2 - QD1 ILE 89 - HD2 ARG 82 lone 1 39 - 2 - QD1 ILE 89 - HD3 ARG 66 lone 0 23 - 1 - QD1 ILE 89 - HD2 ARG 66 lone 0 21 - 1 - Peak 5099 from cnoeabs.peaks (0.91, 3.17, 43.10 ppm; 4.77 A): 6 out of 140 assignments used, quality = 0.68: QD2 LEU 62 + HD2 ARG 26 OK 25 87 - 29 - 5958=5, 5958/1.8=5...(7) QD2 LEU 62 + HD3 ARG 26 OK 25 87 - 29 - 5958=5, 5958/1.8=5...(7) HG12 ILE 68 + HD3 ARG 66 OK 15 45 - 33 - ~5251=5, 4732/6.2=4...(16) HG12 ILE 68 + HD2 ARG 66 OK 14 42 - 33 - ~5251=5, 4732/6.2=4...(16) HG12 ILE 68 + HD3 ARG 23 OK 11 98 - 12 - ~4759=4, ~5242=4, ~5251=2 HG12 ILE 68 + HD2 ARG 23 OK 11 98 - 12 - ~4759=4, ~5242=4, ~5251=2 QG1 VAL 90 - HD3 ARG 66 poor 8 41 - 20 - 5373/3.0=2, ~5373=2...(6) QG2 VAL 90 - HD3 ARG 66 poor 8 40 - 20 - 5373/3.0=2, ~5373=2...(6) QG1 VAL 90 - HD2 ARG 66 poor 8 39 - 20 - 5373/3.0=2, ~5373=2...(6) QG2 VAL 90 - HD2 ARG 66 poor 7 38 - 20 - 5373/3.0=2, ~5373=2...(6) QD2 LEU 62 - HD3 ARG 84 lone 7 68 - 10 - HG12 ILE 68 - HD2 ARG 26 lone 7 98 - 7 - HG12 ILE 68 - HD3 ARG 26 lone 7 97 - 7 - QD2 LEU 62 - HD2 ARG 23 lone 7 88 - 7 - 5958=1, 5958/1.8=1 QD2 LEU 62 - HD3 ARG 23 lone 7 88 - 7 - 5958=1, 5958/1.8=1 QD2 LEU 62 - HD2 ARG 84 lone 6 63 - 10 - QD1 LEU 86 - HD3 ARG 17 lone 6 67 - 9 - QD1 LEU 86 - HD2 ARG 17 lone 6 67 - 9 - QD1 LEU 86 - HD2 ARG 26 lone 6 70 - 9 - QD1 LEU 86 - HD3 ARG 26 lone 6 69 - 9 - QD2 LEU 62 - HD3 ARG 66 poor 6 37 - 17 - 4732/6.2=3, 5958=3...(5) QD2 LEU 62 - HD2 ARG 71 poor 6 47 - 13 - 5958/1.8=3, 2594/3.0=2...(4) QD2 LEU 62 - HD2 ARG 66 poor 6 35 - 17 - 4732/6.2=3, 5958=3...(5) QD2 LEU 62 - HD3 ARG 17 lone 6 84 - 6 - QD2 LEU 62 - HD2 ARG 17 lone 6 84 - 6 - QD2 LEU 62 - HD2 ARG 27 lone 5 89 - 5 - QD2 LEU 62 - HD3 ARG 27 lone 5 89 - 5 - QG2 VAL 76 - HD3 ARG 66 poor 5 45 - 10 - ~2707=1, ~6044=1...(4) QG1 VAL 76 - HD3 ARG 66 poor 5 45 - 10 - ~2707=1, ~6044=1...(4) QG2 VAL 76 - HD2 ARG 66 poor 4 42 - 10 - ~2707=1, ~6044=1...(4) QG1 VAL 76 - HD2 ARG 66 poor 4 42 - 10 - ~2707=1, ~6044=1...(4) QG1 VAL 90 - HD2 ARG 26 lone 4 93 - 4 - QG1 VAL 90 - HD3 ARG 26 lone 4 93 - 4 - QG2 VAL 90 - HD2 ARG 26 lone 4 92 - 4 - QG2 VAL 90 - HD3 ARG 26 lone 4 92 - 4 - HG12 ILE 68 - HD2 ARG 71 lone 4 57 - 7 - 5834/5.8=3, ~5171=1 QD1 LEU 86 - HD3 ARG 84 lone 3 52 - 6 - QG2 VAL 41 - HD3 ARG 66 poor 3 31 - 10 - 4732/6.2=2, 4336/5.2=1...(4) QD1 LEU 86 - HD2 ARG 84 lone 3 48 - 6 - QG2 ILE 40 - HD3 ARG 66 lone 3 37 - 8 - 4732/6.2=3, ~5125=1 QG2 ILE 40 - HD2 ARG 26 lone 3 87 - 3 - QG2 VAL 41 - HD2 ARG 66 poor 3 29 - 10 - 4732/6.2=2, 4336/5.2=1...(4) QG2 ILE 40 - HD3 ARG 26 lone 3 87 - 3 - HG12 ILE 68 - HD2 ARG 82 lone 3 73 - 4 - ~5242=1, ~4759=1 QD1 LEU 86 - HD2 ARG 23 lone 3 70 - 4 - QD1 LEU 86 - HD3 ARG 23 lone 3 70 - 4 - QG2 ILE 40 - HD2 ARG 66 lone 3 35 - 8 - 4732/6.2=3, ~5125=1 QG2 VAL 41 - HD2 ARG 71 lone 3 40 - 7 - 5834/5.8=2, ~4345=2 QD1 LEU 86 - HD2 ARG 27 lone 3 71 - 4 - QD1 LEU 86 - HD3 ARG 27 lone 3 71 - 4 - QG1 VAL 76 - HD2 ARG 26 lone 2 98 - 2 - QG1 VAL 76 - HD3 ARG 26 lone 2 97 - 2 - QG2 VAL 76 - HD2 ARG 26 lone 2 98 - 2 - QG2 VAL 76 - HD3 ARG 26 lone 2 97 - 2 - QG2 VAL 41 - HD3 ARG 84 lone 2 58 - 4 - 5625/5.1=2 HG LEU 51 - HD2 ARG 26 lone 2 79 - 3 - HG LEU 51 - HD3 ARG 26 lone 2 79 - 3 - HG LEU 51 - HD3 ARG 84 lone 2 60 - 3 - QG2 VAL 41 - HD2 ARG 84 lone 2 54 - 4 - 5625/5.1=2 QG1 VAL 76 - HD2 ARG 71 lone 2 57 - 4 - QG2 VAL 76 - HD2 ARG 71 lone 2 57 - 4 - QG2 VAL 76 - HD3 ARG 84 lone 2 79 - 3 - QG1 VAL 76 - HD3 ARG 84 lone 2 79 - 3 - HG LEU 51 - HD2 ARG 84 lone 2 56 - 3 - QG2 ILE 40 - HD2 ARG 71 lone 2 47 - 4 - 5834/5.8=2 QD1 LEU 86 - HD2 ARG 71 lone 2 35 - 6 - QG2 VAL 76 - HD2 ARG 84 lone 2 75 - 3 - QG1 VAL 76 - HD2 ARG 84 lone 2 75 - 3 - HG12 ILE 68 - HD2 ARG 27 lone 2 99 - 2 - HG12 ILE 68 - HD3 ARG 27 lone 2 99 - 2 - QG2 ILE 40 - HD3 ARG 23 lone 2 88 - 2 - QG2 ILE 40 - HD2 ARG 23 lone 2 88 - 2 - QG2 VAL 41 - HD3 ARG 17 lone 2 74 - 2 - QG2 VAL 41 - HD2 ARG 17 lone 2 74 - 2 - QG2 VAL 41 - HD2 ARG 26 lone 2 77 - 2 - QG2 VAL 41 - HD3 ARG 26 lone 2 76 - 2 - HG LEU 51 - HD3 ARG 17 lone 2 76 - 2 - HG LEU 51 - HD2 ARG 17 lone 2 76 - 2 - QG2 ILE 40 - HD3 ARG 84 lone 2 68 - 2 - QG2 VAL 41 - HD2 ARG 23 lone 2 77 - 2 - QG2 VAL 41 - HD3 ARG 23 lone 2 77 - 2 - QG1 VAL 90 - HD3 ARG 27 lone 2 95 - 2 - QG1 VAL 90 - HD2 ARG 27 lone 2 95 - 2 - QG2 VAL 90 - HD2 ARG 27 lone 2 93 - 2 - QG2 VAL 90 - HD3 ARG 27 lone 2 93 - 2 - QG1 VAL 76 - HD2 ARG 27 lone 2 99 - 2 - QG1 VAL 76 - HD3 ARG 27 lone 2 99 - 2 - QG2 VAL 76 - HD2 ARG 27 lone 2 99 - 2 - QG2 VAL 76 - HD3 ARG 27 lone 2 99 - 2 - QG1 VAL 76 - HD3 ARG 23 lone 2 98 - 2 - QG1 VAL 76 - HD2 ARG 23 lone 2 98 - 2 - QG2 VAL 76 - HD2 ARG 23 lone 2 98 - 2 - QG2 VAL 76 - HD3 ARG 23 lone 2 98 - 2 - QG1 VAL 90 - HD3 ARG 17 lone 2 91 - 2 - QG1 VAL 90 - HD2 ARG 17 lone 2 91 - 2 - QG2 VAL 41 - HD3 ARG 27 lone 2 78 - 2 - QG2 VAL 41 - HD2 ARG 27 lone 2 78 - 2 - QD1 LEU 86 - HD3 ARG 66 lone 2 28 - 6 - QG2 ILE 40 - HD2 ARG 84 lone 2 63 - 2 - HG LEU 51 - HD2 ARG 23 lone 2 80 - 2 - HG LEU 51 - HD3 ARG 23 lone 2 80 - 2 - QG2 VAL 90 - HD2 ARG 17 lone 2 89 - 2 - QG2 VAL 90 - HD3 ARG 17 lone 2 89 - 2 - HG12 ILE 68 - HD2 ARG 17 lone 2 96 - 2 - HG12 ILE 68 - HD3 ARG 17 lone 2 96 - 2 - QG1 VAL 90 - HD3 ARG 23 lone 1 94 - 2 - QG1 VAL 90 - HD2 ARG 23 lone 1 94 - 2 - QG2 VAL 90 - HD3 ARG 23 lone 1 93 - 2 - QG2 VAL 90 - HD2 ARG 23 lone 1 93 - 2 - HG12 ILE 68 - HD3 ARG 84 lone 1 79 - 2 - QD1 LEU 86 - HD2 ARG 66 lone 2 26 - 6 - QG1 VAL 90 - HD3 ARG 84 lone 1 74 - 2 - QG1 VAL 76 - HD3 ARG 17 lone 1 96 - 1 - QG1 VAL 76 - HD2 ARG 17 lone 1 96 - 1 - QG2 VAL 76 - HD3 ARG 17 lone 1 96 - 1 - QG2 VAL 76 - HD2 ARG 17 lone 1 96 - 1 - QG2 ILE 40 - HD2 ARG 27 lone 1 89 - 2 - QG2 ILE 40 - HD3 ARG 27 lone 1 89 - 2 - QG1 VAL 76 - HD2 ARG 82 lone 1 73 - 2 - QG2 VAL 76 - HD2 ARG 82 lone 1 73 - 2 - QG2 VAL 90 - HD3 ARG 84 lone 1 72 - 2 - HG12 ILE 68 - HD2 ARG 84 lone 1 75 - 2 - QG1 VAL 90 - HD2 ARG 71 lone 1 52 - 3 - QG2 VAL 41 - HD2 ARG 82 lone 1 53 - 3 - QG1 VAL 90 - HD2 ARG 84 lone 1 69 - 2 - QG2 VAL 90 - HD2 ARG 71 lone 1 51 - 3 - QG2 VAL 90 - HD2 ARG 84 lone 1 68 - 2 - QG2 ILE 40 - HD3 ARG 17 lone 1 84 - 2 - QG2 ILE 40 - HD2 ARG 17 lone 1 84 - 2 - QD2 LEU 62 - HD2 ARG 82 lone 1 62 - 2 - QG1 VAL 90 - HD2 ARG 82 lone 1 68 - 2 - QG2 VAL 90 - HD2 ARG 82 lone 1 66 - 2 - HG LEU 51 - HD2 ARG 27 lone 1 81 - 1 - HG LEU 51 - HD3 ARG 27 lone 1 81 - 1 - HG LEU 51 - HD3 ARG 66 lone 1 33 - 4 - QG2 ILE 40 - HD2 ARG 82 lone 1 62 - 2 - HG LEU 51 - HD2 ARG 66 lone 1 30 - 4 - HG LEU 51 - HD2 ARG 82 lone 1 55 - 2 - HG LEU 51 - HD2 ARG 71 lone 1 42 - 2 - QD1 LEU 86 - HD2 ARG 82 lone 1 47 - 2 - Peak 5100 from cnoeabs.peaks (0.84, 1.63, 27.31 ppm; 4.39 A): 13 out of 36 assignments used, quality = 0.93: QD2 LEU 64 + HG2 ARG 27 OK 32 100 - 32 - 5161=5, 5161/1.8=5...(11) QD2 LEU 64 + HG3 ARG 27 OK 32 100 - 32 - 5161=5, 5161/1.8=5...(11) QD2 LEU 64 + HG3 ARG 17 OK 22 82 - 26 - 3918/5.0=3, 5161=3...(8) QD2 LEU 64 + HG2 ARG 17 OK 21 81 - 26 - 3918/5.0=3, 5161=3...(8) QD2 LEU 64 + HG3 ARG 70 OK 19 72 - 27 - 2643/1.8=3, 2642/2.9=3...(11) QG2 ILE 89 + HG2 ARG 27 OK 16 100 - 16 - 5521/5.0=6, 4163/3.8=2...(4) QG2 ILE 89 + HG3 ARG 27 OK 16 100 - 16 - 5521/5.0=6, 4163/3.8=2...(4) QD2 LEU 86 + HG3 ARG 17 OK 14 81 - 17 - 4.0/3515=1, 4.8/860=1 QD2 LEU 86 + HG2 ARG 17 OK 13 79 - 17 - 4.0/3515=1, 4.8/860=1 QD2 LEU 29 + HG2 ARG 26 OK 12 88 - 14 - 5349/3.7=3, 5375/3.0=2...(4) QD2 LEU 64 + HG2 ARG 26 OK 12 88 - 14 - 5161=2, 5028/3.0=1...(4) QD2 LEU 86 + HG3 ARG 70 OK 11 70 - 16 - 5831/4.9=1, ~2869=1...(5) QD2 LEU 29 + HG3 ARG 70 OK 10 72 - 14 - ~1499=2, 1513/1.8=2...(6) QD2 LEU 86 - HG2 ARG 26 poor 10 87 - 11 - 5349/3.7=1 QD2 LEU 29 - HG2 ARG 27 lone 9 100 - 9 - 5521/5.0=3, 4163/3.8=1 QD2 LEU 29 - HG3 ARG 27 lone 9 100 - 9 - 5521/5.0=3, 4163/3.8=1 QD2 LEU 86 - HG2 ARG 27 lone 8 99 - 8 - 5521/5.0=2 QD2 LEU 86 - HG3 ARG 27 lone 8 99 - 8 - 5521/5.0=2 QG2 ILE 89 - HG3 ARG 17 lone 7 83 - 8 - 3613/2.9=1 QG2 ILE 89 - HG2 ARG 17 lone 7 82 - 8 - 3613/2.9=1 QG2 ILE 89 - HG2 ARG 26 lone 7 89 - 8 - 5998/4.9=1, 4163/3.7=1 QD1 LEU 43 - HG3 ARG 70 lone 7 68 - 10 - 5831/4.9=2, 2032/1.8=1 QD1 LEU 43 - HG2 ARG 27 lone 6 97 - 6 - 5521/5.0=2 QD1 LEU 43 - HG3 ARG 27 lone 6 97 - 6 - 5521/5.0=2 QD1 LEU 43 - HG2 ARG 26 lone 5 84 - 6 - QD2 LEU 29 - HG3 ARG 17 lone 5 82 - 6 - QD2 LEU 29 - HG2 ARG 17 lone 5 81 - 6 - QD1 ILE 89 - HG2 ARG 27 lone 4 60 - 7 - QD1 ILE 89 - HG3 ARG 27 lone 4 60 - 7 - QD1 ILE 89 - HG3 ARG 17 lone 3 43 - 7 - QD1 ILE 89 - HG2 ARG 17 lone 3 42 - 7 - QD1 LEU 43 - HG3 ARG 17 lone 3 78 - 3 - QD1 LEU 43 - HG2 ARG 17 lone 3 77 - 3 - QG2 ILE 89 - HG3 ARG 70 lone 2 73 - 2 - QD1 ILE 89 - HG2 ARG 26 lone 1 48 - 3 - QD1 ILE 89 - HG3 ARG 70 lone 1 37 - 4 - 5831/4.9=1 Peak 5102 from cnoeabs.peaks (0.30, 6.65, 132.92 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.98: QG2 ILE 33 + QD PHE 35 OK 98 98 - 100 - 4248/4.5=46, 4583/2.2=45...(34) Peak 5103 from cnoeabs.peaks (0.19, 6.65, 132.92 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 51 + QD PHE 35 OK 99 99 - 100 - 4530=50, 2.1/4534=50...(33) Peak 5104 from cnoeabs.peaks (1.86, 3.87, 50.78 ppm; 5.35 A): 2 out of 15 assignments used, quality = 0.98: HB3 PRO 34 + HD2 PRO 36 OK 85 97 - 87 - 4.0/4250=16, ~1734=13...(29) HB2 LYS 39 + HD2 PRO 36 OK 84 98 - 86 - ~5208=19, ~5207=13...(27) HB2 MET 11 - HD2 PRO 36 OK 28 81 - 34 - 966/3.0=7, ~971=7...(10) HB2 LYS 75 - HD2 PRO 36 OK 17 81 - 21 - ~4877=2, ~4876=2...(11) HB3 ARG 71 - HD2 PRO 36 lone 6 97 - 6 - 5562/4.8=2 HB2 ARG 71 - HD2 PRO 36 lone 5 97 - 6 - 5562/4.8=2 HB2 ARG 26 - HD2 PRO 36 lone 5 90 - 5 - 5594/4.8=1 HB3 ARG 26 - HD2 PRO 36 lone 5 89 - 5 - 5594/4.8=1 HB2 ARG 66 - HD2 PRO 36 lone 5 96 - 5 - 5594/4.8=1 HB3 ARG 27 - HD2 PRO 36 lone 4 97 - 4 - HB2 ARG 27 - HD2 PRO 36 lone 4 97 - 4 - HB3 PRO 14 - HD2 PRO 36 lone 4 76 - 5 - HB3 ARG 23 - HD2 PRO 36 lone 4 90 - 4 - HB2 ARG 23 - HD2 PRO 36 lone 3 89 - 4 - HB2 ARG 17 - HD2 PRO 36 lone 2 73 - 2 - Peak 5105 from cnoeabs.peaks (4.09, 1.17, 22.48 ppm; 3.86 A): 3 out of 6 assignments used, quality = 0.55: HA GLU 25 + QG2 THR 37 OK 39 100 - 39 - 4162=15, 4.1/5513=7...(7) HA ARG 27 + QG2 THR 37 OK 18 76 - 24 - 5.0/6128=11, 4162=5...(4) HA ARG 26 + QG2 THR 37 OK 11 73 - 15 - 4162=5, 3.6/5107=2, 4181/6128=2 HA ARG 71 - QG2 THR 37 lone 8 89 - 9 - 4162=3, 5186/4754=1, 4181/6128=1 HA VAL 90 - QG2 THR 37 lone 2 89 - 2 - HB THR 88 - QG2 THR 37 lone 2 65 - 3 - Peak 5107 from cnoeabs.peaks (8.20, 1.17, 22.48 ppm; 5.01 A): 4 out of 9 assignments used, quality = 0.88: H GLU 25 + QG2 THR 37 OK 58 100 - 59 - 2.9/5105=21, 4.5/4835=12...(9) H ALA 28 + QG2 THR 37 OK 50 96 - 52 - 2.9/6128=27, 3.6/5105=9...(10) H THR 15 + QG2 THR 37 OK 29 100 - 29 - 4.0/4275=6, 479=6...(8) H ARG 27 + QG2 THR 37 OK 20 76 - 26 - 3.0/5105=10, 3.6/5105=5...(6) H SER 22 - QG2 THR 37 lone 8 97 - 8 - 3.5/1817=1, 3.5/1817=1 H ILE 89 - QG2 THR 37 poor 7 63 - 11 - 4.9/4284=2, 4.0/5270=2 H ALA 77 - QG2 THR 37 lone 7 71 - 10 - 4.3/4885=1, 4.3/4885=1 H ARG 84 - QG2 THR 37 lone 7 100 - 7 - H GLN 79 - QG2 THR 37 lone 4 92 - 4 - Peak 5108 from cnoeabs.peaks (0.91, 1.78, 32.41 ppm; 4.49 A): 4 out of 60 assignments used, quality = 0.97: HG LEU 51 + HB3 LYS 39 OK 64 87 - 74 - ~5204=18, 2.1/5205=17...(21) QG2 VAL 76 + HB3 LYS 73 OK 61 95 - 64 - ~16037=21, ~15432=20...(19) QG1 VAL 76 + HB3 LYS 73 OK 61 95 - 64 - ~16037=21, ~15432=20...(19) QG2 ILE 40 + HB3 LYS 39 OK 41 83 - 49 - 1936/4.4=14, 4302/2.9=5...(13) QG2 VAL 41 - HB3 LYS 73 OK 40 69 - 59 - ~4904=12, ~5626=10...(16) QG2 VAL 41 - HB3 LYS 39 OK 32 71 - 45 - 4330/4.4=11, 4337/3.0=6...(14) QG2 VAL 76 - HB3 LYS 75 OK 30 87 - 35 - 814/4.6=10, ~5856=6...(13) QG1 VAL 76 - HB3 LYS 75 OK 30 87 - 35 - 814/4.6=10, ~5856=6...(13) HG12 ILE 68 - HB3 LYS 39 OK 26 97 - 27 - 604/4.4=4, ~4759=4...(10) QD1 LEU 86 - HB3 LYS 39 OK 24 78 - 31 - 5119/2.9=4, ~5206=4...(15) HG LEU 51 - HB3 LYS 75 OK 22 76 - 29 - 2.1/5205=7, ~5204=6...(9) QG2 ILE 40 - HB3 LYS 75 OK 22 72 - 31 - 4303=3, 5212/3.0=3...(16) HG12 ILE 68 - HB3 LYS 75 OK 22 87 - 25 - 4.0/4748=3, 5.0/760=3...(12) HG12 ILE 68 - HB3 LYS 73 OK 21 95 - 23 - 5816/4.0=3, 4.0/4748=3...(11) QG2 VAL 41 - HB3 LYS 75 OK 20 61 - 32 - 2.1/4346=4, 4337/3.0=3...(16) HG LEU 51 - HB3 LYS 73 OK 18 85 - 21 - 2.1/5205=5, 5255/2.9=3...(7) QG2 ILE 40 - HB2 LYS 13 OK 18 80 - 22 - ~4819=3, 1937/4.8=2...(9) QD2 LEU 62 - HB3 LYS 39 OK 17 83 - 20 - 5119/2.9=2, 604/4.4=2...(5) QD2 LEU 62 - HB3 LYS 73 OK 16 81 - 20 - 5005/2.9=2, 5962/4.3=2...(5) QG2 ILE 40 - HB3 LYS 73 OK 13 81 - 16 - 4303/1.8=2, 4326/4.0=2...(5) QG2 VAL 76 - HB3 LYS 39 OK 12 97 - 13 - 3.9/341=2, 5119/2.9=1...(4) QG1 VAL 76 - HB3 LYS 39 OK 12 97 - 13 - 3.9/341=2, 5119/2.9=1...(4) QD1 LEU 86 - HB3 LYS 73 OK 11 77 - 15 - 5255/2.9=2, 5257/2.9=1 HG12 ILE 68 - HB2 LYS 13 lone 8 94 - 8 - ~5251=2, 5.0/760=1 QD1 LEU 86 - HB2 LYS 85 poor 8 51 - 15 - 4.8/386=7 QD2 LEU 62 - HB2 LYS 13 lone 7 80 - 9 - 5957/4.8=3 HG12 ILE 68 - HB2 LYS 85 lone 7 69 - 10 - 4.0/4748=1, 5.0/760=1 HG LEU 51 - HB2 LYS 13 lone 7 84 - 8 - 2.1/5205=3 QG2 ILE 40 - HB2 LYS 85 poor 6 55 - 11 - 4303=1 QG2 VAL 41 - HB2 LYS 13 lone 6 68 - 9 - 2.1/4346=1 HG12 ILE 68 - HB2 LYS 83 lone 6 88 - 6 - QG1 VAL 90 - HB3 LYS 73 lone 6 96 - 6 - QG2 VAL 90 - HB3 LYS 73 lone 6 95 - 6 - QG1 VAL 76 - HB2 LYS 85 lone 6 69 - 8 - 3.9/341=1 QG2 VAL 76 - HB2 LYS 85 lone 6 69 - 8 - 3.9/341=1 QG2 ILE 40 - HB2 LYS 83 lone 5 73 - 7 - QD1 LEU 86 - HB2 LYS 13 lone 5 75 - 7 - 4.8/386=1 QD2 LEU 62 - HB3 LYS 75 lone 5 72 - 7 - 814/4.6=1 QD1 LEU 86 - HB3 LYS 75 lone 5 68 - 8 - 4.8/386=1 QG2 VAL 76 - HB2 LYS 83 lone 5 88 - 5 - 3.9/341=1 QG1 VAL 76 - HB2 LYS 83 lone 5 88 - 5 - 3.9/341=1 QG1 VAL 76 - HB2 LYS 13 lone 5 94 - 5 - 3.9/341=1 QG2 VAL 76 - HB2 LYS 13 lone 5 94 - 5 - 3.9/341=1 QG2 VAL 41 - HB2 LYS 83 lone 5 62 - 7 - 2.1/4346=1 QG1 VAL 90 - HB2 LYS 13 lone 3 95 - 3 - QG2 VAL 90 - HB2 LYS 13 lone 3 94 - 3 - QG2 VAL 41 - HB2 LYS 85 lone 3 46 - 7 - QG1 VAL 90 - HB2 LYS 85 lone 3 70 - 5 - 4.0/5277=1 QG1 VAL 90 - HB3 LYS 75 lone 3 88 - 4 - QG2 VAL 90 - HB2 LYS 85 lone 3 69 - 5 - 4.0/5277=1 QG2 VAL 90 - HB3 LYS 75 lone 3 87 - 4 - QG1 VAL 90 - HB3 LYS 39 lone 3 97 - 3 - QG2 VAL 90 - HB3 LYS 39 lone 3 97 - 3 - QD1 LEU 86 - HB2 LYS 83 lone 3 69 - 4 - 4.8/386=1 QD2 LEU 62 - HB2 LYS 85 lone 3 55 - 5 - HG LEU 51 - HB2 LYS 83 lone 2 77 - 3 - HG LEU 51 - HB2 LYS 85 lone 2 59 - 4 - QD2 LEU 62 - HB2 LYS 83 lone 2 73 - 3 - QG1 VAL 90 - HB2 LYS 83 lone 2 89 - 2 - QG2 VAL 90 - HB2 LYS 83 lone 2 88 - 2 - Peak 5109 from cnoeabs.peaks (0.83, 1.78, 32.41 ppm; 4.23 A): 4 out of 42 assignments used, quality = 0.97: QD1 LEU 43 + HB2 LYS 13 OK 66 99 - 67 - 2031/3.0=12, ~2038=9...(27) QD2 LEU 64 + HB3 LYS 39 OK 59 95 - 62 - 5206/2.9=8, 5028/1.8=7...(27) QG2 ILE 89 + HB3 LYS 73 OK 58 96 - 61 - 3613/1.8=9, 3612/3.0=7...(25) QD1 ILE 89 + HB3 LYS 73 OK 43 79 - 55 - 3634/1.8=7, 2.1/6149=7...(21) QD1 LEU 43 - HB3 LYS 39 OK 36 100 - 36 - 4917/5205=6, 5357/3.0=6...(12) QG2 ILE 89 - HB2 LYS 13 OK 35 95 - 37 - 3616/3.0=3, 4040/3.9=3...(17) QD2 LEU 86 - HB3 LYS 39 OK 31 100 - 31 - 5206/2.9=5, ~5119=2...(13) QD1 LEU 43 - HB2 LYS 85 OK 25 75 - 34 - 5357/3.0=5, 2032/1.8=4...(13) QD1 ILE 89 - HB2 LYS 13 OK 24 78 - 31 - 5274/3.0=5, 2.1/6149=3...(14) QD2 LEU 29 - HB3 LYS 73 OK 24 93 - 25 - 1512/3.0=2, 3768/4.0=2...(8) QG2 ILE 68 - HB3 LYS 39 OK 22 76 - 29 - 4295/4.4=6, 4763/3.0=3...(10) QG2 ILE 89 - HB2 LYS 85 OK 19 70 - 28 - 4040/4.6=5, 3616/2.9=3...(8) QG2 ILE 68 - HB3 LYS 73 OK 17 74 - 23 - 5264/4.0=3, 3.2/4748=3...(6) QG2 ILE 68 - HB3 LYS 75 OK 16 66 - 24 - 4.1/760=3, 4763/3.0=3...(9) QG2 ILE 89 - HB3 LYS 75 OK 16 88 - 18 - 3613/1.8=2, 3.2/6149=2...(5) QD2 LEU 86 - HB3 LYS 73 OK 14 99 - 14 - ~5255=1 QD2 LEU 64 - HB2 LYS 13 OK 14 92 - 15 - 5029/3.0=2, 2643/1.8=1...(4) QD2 LEU 64 - HB3 LYS 75 OK 14 85 - 17 - 5027/3.0=2, 5028/1.8=2...(5) QD2 LEU 29 - HB2 LYS 13 OK 14 92 - 15 - 1515/1.8=2, 1515/3.5=1...(4) QD1 ILE 89 - HB3 LYS 75 OK 14 70 - 19 - 5274/2.7=3, 5274/2.7=3...(7) QD1 LEU 43 - HB2 LYS 83 OK 13 94 - 14 - 5357/3.0=2, 2032/1.8=2...(4) QD2 LEU 29 - HB3 LYS 39 OK 13 95 - 13 - 5206/2.9=2 QG2 ILE 89 - HB3 LYS 39 OK 11 97 - 12 - 5206/2.9=2, ~5274=1 QD1 ILE 89 - HB3 LYS 39 OK 11 81 - 13 - 5274/2.9=2, 4295/4.4=1...(7) QD1 LEU 43 - HB3 LYS 75 OK 11 93 - 12 - 4917/5205=2, 5357/3.0=2 QD1 ILE 89 - HB2 LYS 85 OK 10 53 - 20 - ~3448=2, 3637/2.9=2...(7) QD2 LEU 86 - HB2 LYS 85 OK 10 75 - 14 - 4.8/386=6, 1513/1.8=1 QD1 LEU 43 - HB3 LYS 73 lone 10 99 - 10 - 4917/5205=2 QD2 LEU 29 - HB3 LYS 75 poor 9 85 - 11 - 1511/4.6=1 QD2 LEU 29 - HB2 LYS 85 poor 9 66 - 13 - 5916/4.6=3, 1513/1.8=1, ~1499=1 QD2 LEU 64 - HB2 LYS 83 lone 8 86 - 9 - 5015/4.3=2 QG2 ILE 68 - HB2 LYS 13 poor 8 73 - 10 - 4751/4.8=2, 4.1/760=1, ~5251=1 QD2 LEU 86 - HB2 LYS 13 lone 7 99 - 7 - 4.8/386=1 QD2 LEU 64 - HB3 LYS 73 lone 7 93 - 7 - QD2 LEU 29 - HB2 LYS 83 lone 7 86 - 8 - 4171/4.3=2 QD2 LEU 86 - HB3 LYS 75 lone 7 93 - 7 - 4.8/386=1 QG2 ILE 89 - HB2 LYS 83 lone 6 89 - 7 - 4171/4.3=2 QG2 ILE 68 - HB2 LYS 85 lone 5 50 - 10 - 4.1/760=2, 3.2/4748=2 QD2 LEU 86 - HB2 LYS 83 lone 4 94 - 5 - QG2 ILE 68 - HB2 LYS 83 lone 4 67 - 6 - QD2 LEU 64 - HB2 LYS 85 lone 4 66 - 6 - 5916/4.6=1 QD1 ILE 89 - HB2 LYS 83 lone 4 71 - 5 - Peak 5110 from cnoeabs.peaks (0.91, 1.85, 32.41 ppm; 4.63 A): 5 out of 20 assignments used, quality = 0.94: HG LEU 51 + HB2 LYS 39 OK 68 87 - 78 - 2.1/5204=26, 2.1/5203=18...(22) QG2 ILE 40 + HB2 LYS 39 OK 43 83 - 52 - 4.0/129=16, 4303/1.8=6...(14) QG2 VAL 41 + HB2 LYS 39 OK 33 71 - 47 - 4330/4.4=12, 4337/3.0=6...(15) QG2 VAL 76 + HB2 LYS 75 OK 29 81 - 36 - 3.9/340=14, ~5856=6...(12) QG1 VAL 76 + HB2 LYS 75 OK 29 81 - 36 - 3.9/340=14, ~5856=6...(12) QD1 LEU 86 - HB2 LYS 39 OK 28 78 - 35 - 2.1/5111=5, 5119/2.9=5...(16) HG12 ILE 68 - HB2 LYS 39 OK 27 97 - 28 - 2.1/5974=5, 604/4.4=4...(10) HG LEU 51 - HB2 LYS 75 OK 23 70 - 33 - 2.1/5204=9, 2.1/5203=7...(10) QG2 ILE 40 - HB2 LYS 75 OK 22 66 - 33 - 4.0/129=5, 4303/1.8=4...(14) HG12 ILE 68 - HB2 LYS 75 OK 20 81 - 24 - 2.1/5974=4, 815/4.6=2...(11) QG2 VAL 41 - HB2 LYS 75 OK 18 55 - 34 - 4337/3.0=3, ~4346=3...(17) QD2 LEU 62 - HB2 LYS 39 OK 18 83 - 22 - 5119/2.9=2, 604/4.4=2...(6) QG2 VAL 76 - HB2 LYS 39 OK 13 97 - 13 - 3.9/340=4, 5119/2.9=1...(4) QG1 VAL 76 - HB2 LYS 39 OK 13 97 - 13 - 3.9/340=4, 5119/2.9=1...(4) QD2 LEU 62 - HB2 LYS 75 lone 5 66 - 7 - 814/4.6=1 QD1 LEU 86 - HB2 LYS 75 lone 5 62 - 8 - QG1 VAL 90 - HB2 LYS 39 lone 4 97 - 4 - QG2 VAL 90 - HB2 LYS 39 lone 4 97 - 4 - QG1 VAL 90 - HB2 LYS 75 lone 3 82 - 4 - QG2 VAL 90 - HB2 LYS 75 lone 3 81 - 4 - Peak 5111 from cnoeabs.peaks (0.83, 1.85, 32.41 ppm; 4.29 A): 11 out of 14 assignments used, quality = 0.95: QD2 LEU 64 + HB2 LYS 39 OK 61 95 - 65 - 5206/2.9=9, 5028=8...(26) QD1 LEU 43 + HB2 LYS 39 OK 35 100 - 36 - 5357/3.0=6, 4917/5204=6...(12) QD2 LEU 86 + HB2 LYS 39 OK 33 100 - 33 - 5206/2.9=5, ~5119=3...(14) QG2 ILE 68 + HB2 LYS 39 OK 22 76 - 29 - 4295/4.4=6, 2.9/5974=4...(10) QD2 LEU 64 + HB2 LYS 75 OK 14 78 - 18 - 5028=2, 2.1/5022=2...(6) QD2 LEU 29 + HB2 LYS 39 OK 14 95 - 14 - 5206/2.9=2, 4520/5204=1 QG2 ILE 68 + HB2 LYS 75 OK 14 60 - 23 - 4763/3.0=3, 2.9/5974=3...(10) QG2 ILE 89 + HB2 LYS 75 OK 13 82 - 16 - ~5274=2, ~6149=1, 3613=1 QD1 ILE 89 + HB2 LYS 75 OK 12 64 - 19 - 5274/2.7=3, 5274/2.7=3...(5) QG2 ILE 89 + HB2 LYS 39 OK 11 97 - 11 - 5206/2.9=2, ~5274=1 QD1 ILE 89 + HB2 LYS 39 OK 11 81 - 13 - 5274/2.9=3, 4295/4.4=1...(6) QD1 LEU 43 - HB2 LYS 75 poor 9 87 - 11 - 5357/3.0=2, 4917/5204=2 QD2 LEU 29 - HB2 LYS 75 poor 9 78 - 12 - 1511/4.6=1, 1515/3.5=1 QD2 LEU 86 - HB2 LYS 75 lone 6 87 - 7 - Peak 5112 from cnoeabs.peaks (2.10, 1.78, 32.41 ppm; 4.32 A): 3 out of 54 assignments used, quality = 0.98: HG3 PRO 36 + HB3 LYS 39 OK 79 99 - 80 - ~5208=11, 4868/4.0=10...(29) HG2 PRO 36 + HB3 LYS 39 OK 77 97 - 79 - ~5208=11, 4893/2.9=10...(28) HB2 PRO 36 + HB3 LYS 39 OK 61 81 - 75 - 4867/4.0=17, 4877=11...(27) HB3 PRO 44 - HB2 LYS 13 OK 42 92 - 46 - ~5648=6, ~4398=6...(17) HB ILE 40 - HB3 LYS 39 OK 39 83 - 48 - 1929/4.4=14, 4294/4.0=5...(14) HG3 PRO 36 - HB3 LYS 75 OK 18 90 - 20 - 2.3/4877=2, ~4876=1...(11) HG2 PRO 36 - HB3 LYS 75 OK 17 88 - 20 - 2.3/4877=2, ~4876=1...(11) HB3 PRO 44 - HB3 LYS 39 OK 15 95 - 16 - 4393/4.4=4, 4893/2.9=2...(5) HB ILE 40 - HB3 LYS 75 OK 15 72 - 20 - 2.1/4303=3, 3.9/3807=2...(10) HB ILE 40 - HB2 LYS 13 OK 14 80 - 17 - ~4819=3, 2.1/4303=2...(8) HB2 PRO 36 - HB3 LYS 75 OK 13 70 - 18 - 4877=3, 4876/2.7=2...(10) HB2 PRO 56 - HB3 LYS 39 OK 10 92 - 11 - 4893/2.9=2, 4894/2.9=1 HG3 PRO 56 - HB3 LYS 39 OK 10 95 - 10 - 4894/2.9=1, 4893/2.9=1...(4) HG3 PRO 36 - HB3 LYS 73 lone 9 98 - 10 - HG2 PRO 36 - HB3 LYS 73 lone 9 96 - 9 - HB ILE 40 - HB3 LYS 73 lone 8 81 - 10 - ~4303=2, 3.9/3807=1 HB3 GLU 59 - HB3 LYS 39 lone 7 96 - 7 - 4894/2.9=1, 4893/2.9=1 HB2 GLU 59 - HB3 LYS 39 lone 7 96 - 7 - 4894/2.9=1, 4893/2.9=1 HB2 PRO 36 - HB3 LYS 73 lone 6 79 - 8 - 4877=1 HG3 PRO 36 - HB2 LYS 13 lone 6 97 - 6 - HG2 PRO 36 - HB2 LYS 13 lone 5 95 - 6 - HB3 PRO 44 - HB2 LYS 85 lone 5 66 - 7 - ~4924=2, ~4925=1 HB ILE 40 - HB2 LYS 85 lone 5 55 - 8 - 2.1/4303=1, 4315/3.0=1 HB2 PRO 56 - HB3 LYS 73 lone 4 90 - 5 - 4.0/690=2, 3880/4.3=1 HB2 PRO 36 - HB2 LYS 13 lone 4 78 - 5 - HB ILE 40 - HB2 LYS 83 lone 4 73 - 6 - HG3 PRO 36 - HB2 LYS 85 lone 3 72 - 5 - HG2 PRO 36 - HB2 LYS 85 lone 3 70 - 4 - HG3 PRO 36 - HB2 LYS 83 lone 3 91 - 3 - HG2 PRO 36 - HB2 LYS 83 lone 3 89 - 3 - HB2 PRO 36 - HB2 LYS 83 lone 3 71 - 4 - HB2 PRO 36 - HB2 LYS 85 lone 3 53 - 5 - HB3 PRO 44 - HB3 LYS 75 lone 3 85 - 3 - HB3 PRO 44 - HB2 LYS 83 lone 3 86 - 3 - HB3 PRO 44 - HB3 LYS 73 lone 2 93 - 3 - HG3 PRO 56 - HB3 LYS 73 lone 2 93 - 2 - HG3 PRO 56 - HB3 LYS 75 lone 2 85 - 2 - HB2 PRO 56 - HB3 LYS 75 lone 2 82 - 2 - HB2 PRO 56 - HB2 LYS 13 lone 2 89 - 2 - HG3 PRO 56 - HB2 LYS 13 lone 1 92 - 2 - HB3 GLU 59 - HB3 LYS 75 lone 1 86 - 2 - HB2 GLU 59 - HB3 LYS 75 lone 1 86 - 2 - HB3 GLU 59 - HB2 LYS 13 lone 1 93 - 1 - HB2 GLU 59 - HB2 LYS 13 lone 1 93 - 1 - HB2 GLU 59 - HB3 LYS 73 lone 1 94 - 1 - HB3 GLU 59 - HB3 LYS 73 lone 1 94 - 1 - HB3 GLU 59 - HB2 LYS 83 lone 1 87 - 1 - HB2 GLU 59 - HB2 LYS 83 lone 1 87 - 1 - HB2 PRO 56 - HB2 LYS 83 lone 1 83 - 1 - HG3 PRO 56 - HB2 LYS 83 lone 1 86 - 1 - HB3 GLU 59 - HB2 LYS 85 lone 1 67 - 1 - HB2 GLU 59 - HB2 LYS 85 lone 1 67 - 1 - HB2 PRO 56 - HB2 LYS 85 lone 1 63 - 1 - HG3 PRO 56 - HB2 LYS 85 lone 1 66 - 1 - Peak 5113 from cnoeabs.peaks (2.10, 1.58, 28.78 ppm; 4.80 A): 6 out of 54 assignments used, quality = 1.00: HG3 PRO 36 + HD3 LYS 39 OK 85 99 - 87 - ~5208=14, 4893/3.0=12...(32) HG3 PRO 36 + HD2 LYS 39 OK 85 99 - 86 - ~5208=14, 4893/3.0=12...(32) HG2 PRO 36 + HD3 LYS 39 OK 84 97 - 86 - ~5208=14, 4893/3.0=12...(32) HG2 PRO 36 + HD2 LYS 39 OK 84 97 - 86 - ~5208=14, 4893/3.0=12...(32) HB2 PRO 36 + HD3 LYS 39 OK 65 81 - 80 - 4867/6.2=13, ~5208=12...(28) HB2 PRO 36 + HD2 LYS 39 OK 65 81 - 80 - 4867/6.2=13, ~5208=12...(28) HB ILE 40 - HD3 LYS 39 OK 27 83 - 33 - ~4302=4, 4895/3.5=4...(11) HB ILE 40 - HD2 LYS 39 OK 27 83 - 33 - ~4302=4, 4895/3.5=4...(11) HB3 PRO 44 - HD3 LYS 39 OK 13 94 - 13 - 4893/3.0=2, 4894/3.0=2 HB3 PRO 44 - HD2 LYS 39 OK 13 95 - 13 - 4893/3.0=2, 4894/3.0=2 HB2 PRO 56 - HD3 LYS 39 OK 12 92 - 13 - 4893/3.0=2, 4894/3.0=2...(4) HB2 PRO 56 - HD2 LYS 39 OK 12 92 - 13 - 4893/3.0=2, 4894/3.0=2...(4) HG3 PRO 56 - HD3 LYS 39 OK 12 94 - 12 - 4894/3.0=2, 4893/3.0=2...(4) HG3 PRO 56 - HD2 LYS 39 OK 12 95 - 12 - 4894/3.0=2, 4893/3.0=2...(4) HB2 GLU 59 - HD2 LYS 39 lone 9 96 - 10 - 4894/3.0=1, 4893/3.0=1 HB3 GLU 59 - HD2 LYS 39 lone 9 96 - 10 - 4894/3.0=1, 4893/3.0=1 HB3 GLU 59 - HD3 LYS 39 lone 9 96 - 10 - 4894/3.0=1, 4893/3.0=1 HB2 GLU 59 - HD3 LYS 39 lone 9 96 - 10 - 4894/3.0=1, 4893/3.0=1 HG3 PRO 36 - HD2 LYS 73 lone 6 62 - 9 - HG3 PRO 36 - HD3 LYS 73 lone 6 62 - 9 - HG2 PRO 36 - HD2 LYS 73 lone 5 61 - 9 - HG2 PRO 36 - HD3 LYS 73 lone 5 61 - 9 - HG3 PRO 36 - HD2 LYS 32 lone 4 62 - 6 - HG2 PRO 36 - HD2 LYS 32 lone 3 61 - 6 - HB2 PRO 36 - HD2 LYS 73 lone 3 46 - 7 - HB2 PRO 36 - HD3 LYS 73 lone 3 46 - 7 - HG3 PRO 36 - HD3 LYS 32 lone 3 57 - 5 - HG2 PRO 36 - HD3 LYS 32 lone 3 55 - 5 - HB ILE 40 - HD2 LYS 73 lone 2 47 - 5 - HB ILE 40 - HD3 LYS 73 lone 2 47 - 5 - HB2 PRO 36 - HD2 LYS 32 lone 2 46 - 5 - HB2 GLU 59 - HD2 LYS 32 lone 2 58 - 3 - HB3 GLU 59 - HD2 LYS 32 lone 2 58 - 3 - HB2 PRO 36 - HD3 LYS 32 lone 2 42 - 5 - HB2 GLU 59 - HD3 LYS 32 lone 2 53 - 3 - HB3 GLU 59 - HD3 LYS 32 lone 2 53 - 3 - HG3 PRO 56 - HD3 LYS 73 lone 2 57 - 3 - HG3 PRO 56 - HD2 LYS 73 lone 2 57 - 3 - HG3 PRO 56 - HD2 LYS 32 lone 2 57 - 3 - HB2 PRO 56 - HD2 LYS 73 lone 2 55 - 3 - HB2 PRO 56 - HD3 LYS 73 lone 2 55 - 3 - HB ILE 40 - HD2 LYS 32 lone 2 47 - 3 - HB2 PRO 56 - HD2 LYS 32 lone 1 55 - 3 - HG3 PRO 56 - HD3 LYS 32 lone 1 52 - 3 - HB3 PRO 44 - HD2 LYS 32 lone 1 57 - 2 - HB2 PRO 56 - HD3 LYS 32 lone 1 50 - 3 - HB3 GLU 59 - HD3 LYS 73 lone 1 58 - 2 - HB3 GLU 59 - HD2 LYS 73 lone 1 58 - 2 - HB2 GLU 59 - HD2 LYS 73 lone 1 58 - 2 - HB2 GLU 59 - HD3 LYS 73 lone 1 58 - 2 - HB3 PRO 44 - HD2 LYS 73 lone 1 57 - 2 - HB3 PRO 44 - HD3 LYS 73 lone 1 57 - 2 - HB ILE 40 - HD3 LYS 32 lone 1 43 - 3 - HB3 PRO 44 - HD3 LYS 32 lone 1 52 - 2 - Peak 5114 from cnoeabs.peaks (2.10, 2.98, 41.78 ppm; 4.17 A): 4 out of 100 assignments used, quality = 0.97: HG3 PRO 36 + HE2 LYS 39 OK 57 100 - 58 - 4893/3.6=9, 4894/3.6=8...(20) HG3 PRO 36 + HE3 LYS 39 OK 57 100 - 58 - 4893/3.6=9, 4894/3.6=8...(20) HG2 PRO 36 + HE2 LYS 39 OK 57 100 - 57 - 4893/3.6=9, 4894/3.6=8...(20) HG2 PRO 36 + HE3 LYS 39 OK 57 100 - 57 - 4893/3.6=9, 4894/3.6=8...(20) HB2 PRO 36 - HE2 LYS 39 OK 30 65 - 46 - 4867/7.5=5, 3.0/6089=5...(18) HB2 PRO 36 - HE3 LYS 39 OK 30 65 - 46 - 4867/7.5=5, 3.0/6089=5...(18) HG3 PRO 36 - HE2 LYS 75 OK 12 90 - 14 - 4873=1, ~4876=1...(7) HG2 PRO 36 - HE2 LYS 75 OK 12 90 - 14 - 4873=1, ~4876=1...(7) HG3 PRO 36 - HE3 LYS 75 OK 12 88 - 14 - 4873=1, ~4876=1...(7) HG2 PRO 36 - HE3 LYS 75 OK 12 88 - 14 - 4873=1, ~4876=1...(7) HB ILE 40 - HE2 LYS 39 poor 8 68 - 12 - 4895/4.7=2, 4315/6.2=2...(5) HB ILE 40 - HE3 LYS 39 poor 8 68 - 12 - 4895/4.7=2, 4315/6.2=2...(5) HB3 PRO 44 - HE2 LYS 39 lone 7 99 - 7 - 4893/3.6=1, 4894/3.6=1 HB3 PRO 44 - HE3 LYS 39 lone 7 99 - 7 - 4893/3.6=1, 4894/3.6=1 HG3 PRO 56 - HE2 LYS 39 lone 7 99 - 7 - 4893/3.6=1, 4894/3.6=1 HG3 PRO 56 - HE3 LYS 39 lone 7 99 - 7 - 4893/3.6=1, 4894/3.6=1 HB2 PRO 56 - HE2 LYS 39 lone 7 98 - 7 - 4893/3.6=1, 4894/3.6=1 HB2 PRO 56 - HE3 LYS 39 lone 7 98 - 7 - 4893/3.6=1, 4894/3.6=1 HB2 PRO 36 - HE2 LYS 75 poor 6 53 - 11 - ~5586=1, 4876/3.5=1...(5) HB2 PRO 36 - HE3 LYS 75 poor 5 52 - 11 - ~5586=1, 4876/3.5=1...(5) HB3 PRO 44 - HE2 LYS 13 lone 5 92 - 6 - 2072/6.5=2, 5112/5.2=1 HB3 PRO 44 - HE3 LYS 13 lone 5 91 - 6 - 2072/6.5=2, 5112/5.2=1 HB2 GLU 59 - HE2 LYS 39 lone 5 99 - 5 - HB3 GLU 59 - HE2 LYS 39 lone 5 99 - 5 - HB3 GLU 59 - HE3 LYS 39 lone 5 99 - 5 - HB2 GLU 59 - HE3 LYS 39 lone 5 99 - 5 - HG3 PRO 36 - HE2 LYS 73 lone 5 73 - 6 - HG2 PRO 36 - HE2 LYS 73 lone 4 73 - 6 - HG3 PRO 36 - HE3 LYS 73 lone 4 71 - 6 - HG2 PRO 36 - HE3 LYS 73 lone 4 70 - 6 - HG3 PRO 36 - HE2 LYS 13 lone 4 94 - 4 - HG3 PRO 36 - HE3 LYS 13 lone 4 93 - 4 - HG2 PRO 36 - HE2 LYS 13 lone 4 94 - 4 - HG2 PRO 36 - HE3 LYS 13 lone 4 93 - 4 - HB ILE 40 - HE2 LYS 75 lone 4 56 - 6 - ~4302=1 HB ILE 40 - HE3 LYS 75 lone 3 54 - 6 - ~4302=1 HG3 PRO 36 - HE3 LYS 32 lone 3 76 - 4 - HG2 PRO 36 - HE3 LYS 32 lone 3 75 - 4 - HG3 PRO 36 - HE2 LYS 32 lone 3 73 - 4 - HG2 PRO 36 - HE2 LYS 32 lone 3 73 - 4 - HB2 PRO 56 - HE2 LYS 73 lone 2 69 - 3 - 4.0/5745=1 HB2 PRO 56 - HE3 LYS 73 lone 2 67 - 3 - 4.0/5745=1 HG3 PRO 56 - HE3 LYS 32 lone 2 73 - 3 - HB2 PRO 56 - HE3 LYS 32 lone 2 72 - 3 - HG3 PRO 56 - HE2 LYS 75 lone 2 88 - 2 - HG3 PRO 56 - HE3 LYS 75 lone 2 86 - 2 - HG3 PRO 56 - HE2 LYS 32 lone 2 71 - 3 - HB2 PRO 56 - HE2 LYS 32 lone 2 69 - 3 - HB2 PRO 56 - HE2 LYS 75 lone 2 86 - 2 - HB2 PRO 56 - HE3 LYS 75 lone 2 84 - 2 - HG3 PRO 56 - HE2 LYS 73 lone 2 71 - 3 - HG3 PRO 56 - HE3 LYS 73 lone 2 68 - 3 - HB2 PRO 36 - HE2 LYS 73 lone 2 41 - 5 - HB2 PRO 36 - HE2 LYS 13 lone 2 57 - 3 - HB2 PRO 36 - HE3 LYS 13 lone 2 56 - 3 - HB2 PRO 36 - HE3 LYS 73 lone 2 39 - 5 - HB ILE 40 - HE2 LYS 13 lone 2 60 - 3 - HB ILE 40 - HE3 LYS 13 lone 2 59 - 3 - HB3 PRO 44 - HE2 LYS 75 lone 2 88 - 2 - HB3 PRO 44 - HE3 LYS 75 lone 2 86 - 2 - HB3 MET 31 - HE3 LYS 32 lone 2 42 - 4 - 3773/7.0=2 HB2 PRO 56 - HE2 LYS 13 lone 1 91 - 2 - HB2 PRO 56 - HE3 LYS 13 lone 1 90 - 2 - HB3 MET 31 - HE2 LYS 32 lone 2 41 - 4 - 3773/7.0=2 HG3 PRO 56 - HE2 LYS 13 lone 1 92 - 2 - HG3 PRO 56 - HE3 LYS 13 lone 1 91 - 2 - HB2 PRO 36 - HE3 LYS 32 lone 1 42 - 3 - HB3 MET 31 - HE2 LYS 39 lone 1 65 - 2 - HB3 MET 31 - HE3 LYS 39 lone 1 65 - 2 - HB2 PRO 36 - HE2 LYS 32 lone 1 41 - 3 - HB3 PRO 44 - HE3 LYS 32 lone 1 73 - 2 - HB3 MET 31 - HE2 LYS 13 lone 1 57 - 2 - HB ILE 40 - HE2 LYS 73 lone 1 43 - 3 - HB3 PRO 44 - HE2 LYS 32 lone 1 71 - 2 - HB3 MET 31 - HE3 LYS 13 lone 1 56 - 2 - HB3 GLU 59 - HE3 LYS 32 lone 1 74 - 2 - HB2 GLU 59 - HE3 LYS 32 lone 1 74 - 2 - HB ILE 40 - HE3 LYS 73 lone 1 41 - 3 - HB2 GLU 59 - HE2 LYS 32 lone 1 71 - 2 - HB3 GLU 59 - HE2 LYS 32 lone 1 71 - 2 - HB2 GLU 59 - HE2 LYS 75 lone 1 89 - 1 - HB3 GLU 59 - HE2 LYS 75 lone 1 89 - 1 - HB3 GLU 59 - HE3 LYS 75 lone 1 87 - 1 - HB2 GLU 59 - HE3 LYS 75 lone 1 87 - 1 - HB3 PRO 44 - HE2 LYS 73 lone 1 71 - 1 - HB3 PRO 44 - HE3 LYS 73 lone 1 68 - 1 - HB3 GLU 59 - HE2 LYS 13 lone 1 93 - 1 - HB2 GLU 59 - HE2 LYS 13 lone 1 93 - 1 - HB2 GLU 59 - HE3 LYS 13 lone 1 92 - 1 - HB3 GLU 59 - HE3 LYS 13 lone 1 92 - 1 - HB2 GLU 59 - HE2 LYS 73 lone 1 71 - 1 - HB3 GLU 59 - HE2 LYS 73 lone 1 71 - 1 - HB3 GLU 59 - HE3 LYS 73 lone 1 69 - 1 - HB2 GLU 59 - HE3 LYS 73 lone 1 69 - 1 - HB ILE 40 - HE3 LYS 32 lone 1 44 - 2 - HB ILE 40 - HE2 LYS 32 lone 1 43 - 2 - HB3 MET 31 - HE2 LYS 75 lone 1 53 - 1 - HB3 MET 31 - HE3 LYS 75 lone 1 52 - 1 - HB3 MET 31 - HE2 LYS 73 lone 1 41 - 1 - HB3 MET 31 - HE3 LYS 73 lone 1 39 - 1 - Peak 5115 from cnoeabs.peaks (0.83, 2.98, 41.78 ppm; 4.05 A): 7 out of 70 assignments used, quality = 0.91: QD1 LEU 43 + HE3 LYS 39 OK 33 100 - 33 - 2.1/4909=6, ~4909=4...(12) QD1 LEU 43 + HE2 LYS 39 OK 33 100 - 33 - 2.1/4909=5, ~4909=4...(12) QD2 LEU 64 + HE2 LYS 39 OK 30 95 - 32 - 5206/3.6=7, 2644/3.6=5...(12) QD2 LEU 64 + HE3 LYS 39 OK 30 94 - 32 - 5206/3.6=7, 2644/3.6=5...(12) QD1 LEU 43 + HE2 LYS 13 OK 29 94 - 30 - 2.1/4909=5, 2031/6.5=5...(8) QD1 LEU 43 + HE3 LYS 13 OK 28 93 - 30 - 2.1/4909=5, 2031/6.5=5...(9) QD2 LEU 86 + HE3 LYS 39 OK 18 100 - 18 - 5206/3.6=4, 5111/4.7=2...(5) QD2 LEU 86 - HE2 LYS 39 OK 18 100 - 18 - 5206/3.6=4, 5111/4.7=2...(5) QG2 ILE 89 - HE2 LYS 13 OK 15 90 - 17 - 3616/3.8=3, 3616/3.8=2...(5) QG2 ILE 89 - HE3 LYS 13 OK 15 89 - 17 - 3616/3.8=3, 3616/3.8=2...(5) QD1 ILE 89 - HE2 LYS 13 OK 11 72 - 15 - 5274/3.8=4, 3637/3.8=2...(4) QD1 ILE 89 - HE3 LYS 13 OK 11 71 - 15 - 5274/3.8=4, 3637/3.8=2...(4) QG2 ILE 89 - HE2 LYS 73 OK 10 68 - 15 - 3613/4.7=4, 3612/6.1=3 QG2 ILE 89 - HE3 LYS 73 poor 10 66 - 15 - 3613/4.7=4, 3612/6.1=3 QD1 ILE 89 - HE2 LYS 73 poor 9 52 - 18 - 5274/3.7=5, 3634/4.7=3...(5) QD2 LEU 29 - HE3 LYS 39 lone 9 94 - 9 - 5206/3.6=2, 5111/4.7=1 QD1 ILE 89 - HE3 LYS 73 poor 9 50 - 18 - 5274/3.7=5, 3634/4.7=3...(5) QD2 LEU 29 - HE2 LYS 39 lone 9 95 - 9 - 5206/3.6=2, 5111/4.7=1 QD2 LEU 64 - HE2 LYS 13 lone 8 86 - 9 - 5161/2.9=1, 5161/2.9=1 QD1 ILE 89 - HE2 LYS 75 poor 8 67 - 11 - 5274/3.5=2, 5274/3.5=2 QG2 ILE 89 - HE2 LYS 75 lone 7 85 - 9 - ~5274=1 QD2 LEU 64 - HE3 LYS 13 lone 7 85 - 9 - 5161/2.9=1, 5161/2.9=1 QG2 ILE 89 - HE3 LYS 39 lone 7 97 - 7 - 5206/3.6=2 QG2 ILE 89 - HE2 LYS 39 lone 7 97 - 7 - 5206/3.6=2 QD1 ILE 89 - HE3 LYS 75 poor 7 65 - 11 - 5274/3.5=2, 5274/3.5=2 QG2 ILE 89 - HE3 LYS 75 lone 7 83 - 9 - ~5274=1 QD2 LEU 29 - HE2 LYS 13 lone 7 86 - 8 - 1515/2.9=1, 1515/2.9=1 QD1 ILE 89 - HE2 LYS 39 lone 7 81 - 9 - 5274/3.6=2, 6150/3.0=1...(4) QD1 ILE 89 - HE3 LYS 39 lone 7 80 - 9 - 5274/3.6=2, 6150/3.0=1...(4) QD2 LEU 29 - HE3 LYS 13 lone 7 85 - 8 - 1515/2.9=1, 1515/2.9=1 QD1 LEU 43 - HE2 LYS 75 lone 7 90 - 8 - QD1 LEU 43 - HE3 LYS 75 lone 7 88 - 8 - QD2 LEU 29 - HE2 LYS 75 lone 7 81 - 8 - 1515/2.9=1, 1515/2.9=1 QG2 ILE 68 - HE2 LYS 39 lone 7 76 - 9 - 5206/3.6=2, 5111/4.7=2 QG2 ILE 68 - HE3 LYS 39 lone 7 76 - 9 - 5206/3.6=2, 5111/4.7=2 QD2 LEU 29 - HE3 LYS 75 lone 6 80 - 8 - 1515/2.9=1, 1515/2.9=1 QG2 ILE 68 - HE2 LYS 75 lone 6 63 - 9 - 4755/3.5=1, 4755/3.5=1 QG2 ILE 68 - HE3 LYS 75 lone 6 61 - 9 - 4755/3.5=1, 4755/3.5=1 QD2 LEU 64 - HE2 LYS 75 lone 6 81 - 7 - QD2 LEU 64 - HE3 LYS 75 lone 5 80 - 7 - QD2 LEU 64 - HE3 LYS 32 lone 5 67 - 8 - 5162/3.9=2, 5014/7.0=2 QD2 LEU 64 - HE2 LYS 32 lone 5 65 - 7 - 5162/3.9=2, 5014/7.0=2 QG2 ILE 68 - HE2 LYS 73 lone 4 48 - 8 - 4755/3.7=1, 5262/4.7=1 QD2 LEU 29 - HE2 LYS 73 lone 4 65 - 6 - QG2 ILE 68 - HE3 LYS 73 lone 4 46 - 8 - 4755/3.7=1, 5262/4.7=1 QD2 LEU 29 - HE3 LYS 73 lone 4 62 - 6 - QD2 LEU 86 - HE2 LYS 75 lone 4 90 - 4 - QD2 LEU 86 - HE3 LYS 75 lone 4 89 - 4 - QD2 LEU 86 - HE2 LYS 13 lone 4 95 - 4 - QD2 LEU 86 - HE2 LYS 73 lone 4 73 - 5 - QD2 LEU 86 - HE3 LYS 13 lone 3 94 - 4 - QD2 LEU 86 - HE3 LYS 73 lone 3 71 - 5 - QD2 LEU 29 - HE3 LYS 32 lone 3 67 - 5 - 4839/3.9=1, 1511/7.0=1 QD1 LEU 43 - HE2 LYS 73 lone 3 73 - 4 - QD2 LEU 29 - HE2 LYS 32 lone 3 65 - 5 - 4839/3.9=1, 1511/7.0=1 QD1 LEU 43 - HE3 LYS 73 lone 3 71 - 4 - QD2 LEU 86 - HE3 LYS 32 lone 3 76 - 4 - QD2 LEU 86 - HE2 LYS 32 lone 3 73 - 4 - QD2 LEU 64 - HE2 LYS 73 lone 2 65 - 3 - QD2 LEU 64 - HE3 LYS 73 lone 2 62 - 3 - QG2 ILE 68 - HE2 LYS 13 lone 2 67 - 3 - QD1 LEU 43 - HE3 LYS 32 lone 2 76 - 3 - QG2 ILE 68 - HE3 LYS 13 lone 2 66 - 3 - QD1 LEU 43 - HE2 LYS 32 lone 2 73 - 3 - QG2 ILE 89 - HE3 LYS 32 lone 1 71 - 2 - QG2 ILE 89 - HE2 LYS 32 lone 1 68 - 2 - QD1 ILE 89 - HE3 LYS 32 lone 1 54 - 2 - QD1 ILE 89 - HE2 LYS 32 lone 1 52 - 2 - QG2 ILE 68 - HE3 LYS 32 lone 1 50 - 2 - QG2 ILE 68 - HE2 LYS 32 lone 1 48 - 2 - Peak 5116 from cnoeabs.peaks (0.93, 2.98, 41.78 ppm; 4.18 A): 8 out of 80 assignments used, quality = 0.92: QD2 LEU 43 + HE2 LYS 39 OK 32 96 - 34 - 4909=7, 4909/1.8=6...(13) QD2 LEU 43 + HE3 LYS 39 OK 32 95 - 34 - 4909=7, 4909/1.8=6...(13) QD2 LEU 43 + HE2 LYS 13 OK 27 87 - 31 - 4909=6, 4909/1.8=5...(8) QD2 LEU 43 + HE3 LYS 13 OK 27 86 - 31 - 4909=5, 4909/1.8=5...(8) QG2 VAL 41 + HE2 LYS 73 OK 25 73 - 35 - 5625/6.1=5, ~4345=5...(14) QG2 VAL 41 + HE3 LYS 73 OK 25 71 - 35 - 5625/6.1=5, ~4345=5...(14) QD1 LEU 64 + HE2 LYS 39 OK 22 78 - 28 - 4896/3.6=6, 2651/3.6=5...(12) QD1 LEU 64 + HE3 LYS 39 OK 22 78 - 28 - 4896/3.6=6, 2651/3.6=5...(12) QG2 VAL 41 - HE3 LYS 39 OK 21 100 - 22 - 4896/3.6=4, 4337/6.2=3...(9) QG2 VAL 41 - HE2 LYS 39 OK 21 100 - 22 - 4896/3.6=4, 4337/6.2=3...(9) QG2 VAL 41 - HE2 LYS 75 OK 21 90 - 23 - 6092/1.8=3, 4347/3.5=2...(11) QG2 VAL 41 - HE3 LYS 75 OK 21 88 - 23 - 6092/1.8=3, 4347/3.5=2...(11) QG2 ILE 40 - HE2 LYS 39 OK 19 100 - 19 - 4302/3.6=5, 4303/4.7=3...(6) QG2 ILE 40 - HE3 LYS 39 OK 19 100 - 19 - 4302/3.6=5, 4303/4.7=3...(6) QG2 ILE 40 - HE2 LYS 75 OK 12 90 - 13 - 4303/5.0=2, 4302/3.5=2...(5) QD2 LEU 62 - HE3 LYS 39 OK 12 100 - 11 - 4896/3.6=2, 2596/3.6=1...(4) QD2 LEU 62 - HE2 LYS 39 OK 12 100 - 11 - 4896/3.6=2, 2596/3.6=1...(4) QG2 ILE 40 - HE3 LYS 75 OK 12 88 - 13 - 4303/5.0=2, 4302/3.5=2...(5) QG2 VAL 76 - HE2 LYS 75 poor 10 83 - 12 - 5850/6.7=1, ~5435=1...(5) QG1 VAL 76 - HE2 LYS 75 poor 10 83 - 12 - 5850/6.7=1, ~5435=1...(5) QG2 VAL 76 - HE3 LYS 75 poor 10 81 - 12 - 5850/6.7=1, ~5435=1...(5) QG1 VAL 76 - HE3 LYS 75 poor 10 81 - 12 - 5850/6.7=1, ~5435=1...(5) QG2 VAL 41 - HE3 LYS 32 poor 9 76 - 11 - ~4345=2, 6092/1.8=1...(5) QG2 VAL 41 - HE2 LYS 32 poor 8 73 - 11 - ~4345=2, 6092/1.8=1...(5) QG2 VAL 76 - HE2 LYS 73 poor 7 66 - 11 - 5430/6.1=2, 5263/7.3=2...(4) QG1 VAL 76 - HE2 LYS 73 poor 7 66 - 11 - 5430/6.1=2, 5263/7.3=2...(4) QG2 VAL 76 - HE3 LYS 73 poor 7 63 - 11 - 5430/6.1=2, 5263/7.3=2...(4) QG1 VAL 76 - HE3 LYS 73 poor 7 63 - 11 - 5430/6.1=2, 5263/7.3=2...(4) QG2 ILE 40 - HE2 LYS 13 lone 6 94 - 7 - 4302/3.8=2, 4303/5.2=2 QG2 ILE 40 - HE3 LYS 13 lone 6 93 - 7 - 4302/3.8=2, 4303/5.2=2 QD2 LEU 62 - HE2 LYS 73 lone 6 73 - 8 - 5005/3.7=2 HG12 ILE 68 - HE2 LYS 39 lone 6 96 - 6 - 4896/3.6=1 HG12 ILE 68 - HE3 LYS 39 lone 6 95 - 6 - 4896/3.6=1 HG12 ILE 68 - HE2 LYS 75 lone 6 83 - 7 - ~5251=1, 5850/6.7=1 QD2 LEU 62 - HE3 LYS 73 lone 6 70 - 8 - 5005/3.7=2 HG12 ILE 68 - HE3 LYS 75 lone 6 81 - 7 - ~5251=1, 5850/6.7=1 QD2 LEU 43 - HE2 LYS 75 lone 5 83 - 6 - QD2 LEU 43 - HE3 LYS 75 lone 5 81 - 6 - QD2 LEU 62 - HE3 LYS 32 lone 5 75 - 7 - 5004/3.9=2 QG2 VAL 41 - HE2 LYS 13 lone 5 94 - 5 - QG2 VAL 41 - HE3 LYS 13 lone 5 93 - 5 - QD2 LEU 62 - HE2 LYS 32 lone 5 73 - 7 - 5004/3.9=2 QG2 ILE 40 - HE2 LYS 73 lone 5 73 - 7 - 4303/4.7=1, 4302/3.7=1 QG2 ILE 40 - HE3 LYS 73 lone 5 70 - 7 - 4303/4.7=1, 4302/3.7=1 HG12 ILE 68 - HE2 LYS 73 lone 4 66 - 6 - 5816/7.3=1 QD1 LEU 64 - HE2 LYS 13 lone 4 69 - 5 - QD1 LEU 64 - HE3 LYS 13 lone 4 68 - 5 - QD1 LEU 64 - HE2 LYS 75 lone 4 65 - 6 - HG12 ILE 68 - HE3 LYS 73 lone 4 63 - 6 - 5816/7.3=1 QD1 LEU 64 - HE3 LYS 75 lone 4 63 - 6 - QG1 VAL 76 - HE2 LYS 39 lone 3 96 - 4 - QG2 VAL 76 - HE2 LYS 39 lone 3 96 - 4 - QG2 VAL 76 - HE3 LYS 39 lone 3 95 - 4 - QG1 VAL 76 - HE3 LYS 39 lone 3 95 - 4 - QD2 LEU 62 - HE2 LYS 13 lone 3 94 - 3 - QD2 LEU 62 - HE3 LYS 13 lone 3 93 - 3 - QD2 LEU 62 - HE2 LYS 75 lone 3 90 - 3 - QD2 LEU 62 - HE3 LYS 75 lone 3 88 - 3 - QD1 LEU 64 - HE3 LYS 32 lone 2 52 - 5 - QD2 LEU 43 - HE2 LYS 73 lone 2 66 - 4 - QD1 LEU 64 - HE2 LYS 32 lone 2 50 - 5 - QD2 LEU 43 - HE3 LYS 73 lone 2 63 - 4 - HG12 ILE 68 - HE2 LYS 13 lone 2 87 - 2 - HG12 ILE 68 - HE3 LYS 13 lone 2 86 - 2 - QG2 VAL 76 - HE3 LYS 32 lone 2 68 - 3 - QG1 VAL 76 - HE3 LYS 32 lone 2 68 - 3 - QG2 VAL 76 - HE2 LYS 32 lone 2 66 - 3 - QG1 VAL 76 - HE2 LYS 32 lone 2 66 - 3 - QG2 ILE 40 - HE3 LYS 32 lone 2 75 - 2 - QG2 ILE 40 - HE2 LYS 32 lone 2 73 - 2 - QD2 LEU 43 - HE3 LYS 32 lone 2 68 - 2 - QD2 LEU 43 - HE2 LYS 32 lone 2 66 - 2 - QG1 VAL 76 - HE2 LYS 13 lone 2 87 - 2 - QG2 VAL 76 - HE2 LYS 13 lone 2 87 - 2 - QG1 VAL 76 - HE3 LYS 13 lone 2 86 - 2 - QG2 VAL 76 - HE3 LYS 13 lone 2 86 - 2 - QD1 LEU 64 - HE2 LYS 73 lone 2 50 - 3 - QD1 LEU 64 - HE3 LYS 73 lone 1 48 - 3 - HG12 ILE 68 - HE3 LYS 32 lone 1 68 - 2 - HG12 ILE 68 - HE2 LYS 32 lone 1 66 - 2 - Peak 5117 from cnoeabs.peaks (0.93, 1.58, 28.78 ppm; 6.30 A): 8 out of 50 assignments used, quality = 1.00: QD2 LEU 43 + HD3 LYS 39 OK 51 87 - 59 - 4909/3.0=8, 4909/3.0=8...(16) QD2 LEU 43 + HD2 LYS 39 OK 51 87 - 59 - 4909/3.0=8, 4909/3.0=8...(16) QG2 VAL 41 + HD3 LYS 39 OK 51 99 - 52 - 4337/5.0=10, ~5208=8...(15) QG2 VAL 41 + HD2 LYS 39 OK 51 99 - 52 - 4337/5.0=10, ~5208=8...(15) QG2 ILE 40 + HD3 LYS 39 OK 48 100 - 48 - 5212/5.0=8, 4303/3.5=8...(14) QG2 ILE 40 + HD2 LYS 39 OK 47 100 - 48 - 5212/5.0=8, 4303/3.5=8...(14) QG2 VAL 41 + HD3 LYS 73 OK 45 60 - 76 - ~4904=22, 5625/5.2=15...(17) QG2 VAL 41 + HD2 LYS 73 OK 45 60 - 76 - ~4904=22, 5625/5.2=15...(17) QD1 LEU 64 - HD3 LYS 39 OK 43 63 - 69 - ~5206=12, 4896/3.0=10...(23) QD1 LEU 64 - HD2 LYS 39 OK 43 63 - 69 - ~5206=12, 4896/3.0=10...(23) QD2 LEU 62 - HD3 LYS 39 OK 34 100 - 33 - 4896/3.0=3, 5119/3.0=2...(11) QD2 LEU 62 - HD2 LYS 39 OK 34 100 - 33 - 4896/3.0=3, 5119/3.0=2...(11) HG12 ILE 68 - HD2 LYS 39 OK 25 99 - 25 - ~4759=7, 5119/3.0=3...(8) HG12 ILE 68 - HD3 LYS 39 OK 25 99 - 25 - ~4759=7, 5119/3.0=3...(8) QG2 VAL 76 - HD3 LYS 73 OK 23 61 - 38 - 5263/6.1=6, 5430/5.2=6...(11) QG2 VAL 76 - HD2 LYS 73 OK 23 61 - 38 - 5263/6.1=6, 5430/5.2=6...(11) QG1 VAL 76 - HD3 LYS 73 OK 23 61 - 38 - 5263/6.1=6, 5430/5.2=6...(11) QG1 VAL 76 - HD2 LYS 73 OK 23 61 - 38 - 5263/6.1=6, 5430/5.2=6...(11) QD2 LEU 62 - HD3 LYS 73 OK 17 62 - 27 - 5005/2.9=4, 5263/6.1=3...(6) QD2 LEU 62 - HD2 LYS 73 OK 17 62 - 27 - 5005/2.9=4, 5263/6.1=3...(6) HG12 ILE 68 - HD2 LYS 73 OK 16 61 - 26 - 5816/6.1=4, ~5256=3...(9) HG12 ILE 68 - HD3 LYS 73 OK 16 61 - 26 - 5816/6.1=4, ~5256=3...(9) QG2 VAL 41 - HD2 LYS 32 OK 15 60 - 25 - ~4345=4, ~4903=3...(9) QD2 LEU 62 - HD2 LYS 32 OK 15 62 - 24 - 5004/3.0=3, 5237/4953=1...(4) QG2 VAL 76 - HD3 LYS 39 OK 12 99 - 12 - ~5119=1, 5119/3.0=1...(5) QG1 VAL 76 - HD3 LYS 39 OK 12 99 - 12 - ~5119=1, 5119/3.0=1...(5) QG2 VAL 76 - HD2 LYS 39 OK 12 99 - 12 - ~5119=1, 5119/3.0=1...(5) QG1 VAL 76 - HD2 LYS 39 OK 12 99 - 12 - ~5119=1, 5119/3.0=1...(5) QG2 ILE 40 - HD3 LYS 73 OK 10 62 - 17 - 4303/3.5=3, 5263/6.1=3...(5) QG2 ILE 40 - HD2 LYS 73 OK 10 62 - 17 - 4303/3.5=3, 5263/6.1=3...(5) QG2 VAL 76 - HD2 LYS 32 poor 9 61 - 14 - ~1585=2, ~1595=2 QG1 VAL 76 - HD2 LYS 32 poor 9 61 - 14 - ~1585=2, ~1595=2 QG2 ILE 40 - HD2 LYS 32 poor 6 62 - 10 - 4301/6085=2 QD2 LEU 43 - HD2 LYS 73 poor 6 48 - 12 - 4916/6085=1 QD2 LEU 43 - HD3 LYS 73 poor 6 48 - 12 - 4916/6085=1 QD1 LEU 64 - HD2 LYS 32 poor 5 32 - 16 - ~5162=3, 5012/6.1=2, 5794/5.1=1 HG12 ILE 68 - HD2 LYS 32 lone 5 61 - 8 - ~4758=2 QD2 LEU 43 - HD2 LYS 32 lone 4 48 - 9 - 4916/6085=2 QG1 VAL 90 - HD3 LYS 39 lone 3 65 - 5 - QG1 VAL 90 - HD2 LYS 39 lone 3 65 - 5 - QG2 VAL 90 - HD3 LYS 39 lone 3 63 - 5 - QG2 VAL 90 - HD2 LYS 39 lone 3 63 - 5 - QD1 LEU 64 - HD2 LYS 73 lone 3 32 - 9 - QD1 LEU 64 - HD3 LYS 73 lone 3 32 - 9 - QG1 VAL 90 - HD3 LYS 73 lone 2 34 - 7 - QG1 VAL 90 - HD2 LYS 73 lone 2 34 - 7 - QG2 VAL 90 - HD2 LYS 73 lone 2 32 - 7 - QG2 VAL 90 - HD3 LYS 73 lone 2 32 - 7 - QG1 VAL 90 - HD2 LYS 32 lone 1 34 - 4 - QG2 VAL 90 - HD2 LYS 32 lone 1 32 - 4 - Peak 5118 from cnoeabs.peaks (0.83, 1.58, 28.78 ppm; 4.87 A): 4 out of 35 assignments used, quality = 0.96: QD2 LEU 64 + HD3 LYS 39 OK 57 95 - 60 - 5206/3.0=11, 5111/3.5=8...(20) QD2 LEU 64 + HD2 LYS 39 OK 57 94 - 60 - 5206/3.0=11, 5111/3.5=8...(20) QD1 LEU 43 + HD3 LYS 39 OK 51 100 - 51 - 5206/3.0=6, 4917/6085=5...(18) QD1 LEU 43 + HD2 LYS 39 OK 51 100 - 51 - 5206/3.0=6, 4917/6085=5...(18) QD2 LEU 86 - HD3 LYS 39 OK 40 100 - 40 - 5206/3.0=6, 5111/3.5=4...(20) QD2 LEU 86 - HD2 LYS 39 OK 40 100 - 40 - 5206/3.0=6, 5111/3.5=4...(20) QG2 ILE 89 - HD2 LYS 73 OK 22 58 - 39 - 3613/3.5=8, 3612/5.2=5...(12) QG2 ILE 89 - HD3 LYS 73 OK 22 58 - 39 - 3613/3.5=8, 3612/5.2=5...(12) QD2 LEU 29 - HD3 LYS 39 OK 20 95 - 21 - 5206/3.0=3, 5111/3.5=2, ~5119=1 QD2 LEU 29 - HD2 LYS 39 OK 20 94 - 21 - 5206/3.0=3, 5111/3.5=2, ~5119=1 QG2 ILE 89 - HD3 LYS 39 OK 16 97 - 16 - 5206/3.0=3, 3.1/6150=2...(5) QG2 ILE 89 - HD2 LYS 39 OK 16 97 - 16 - 5206/3.0=3, 3.1/6150=2...(5) QG2 ILE 68 - HD3 LYS 39 OK 16 76 - 21 - ~4759=4, 5111/3.5=3...(7) QG2 ILE 68 - HD2 LYS 39 OK 15 76 - 21 - ~4759=4, 5111/3.5=3...(7) QD1 ILE 89 - HD2 LYS 73 OK 14 44 - 33 - 5274/2.9=7, 3634/3.5=6...(10) QD1 ILE 89 - HD3 LYS 73 OK 14 44 - 33 - 5274/2.9=7, 3634/3.5=6...(10) QD1 ILE 89 - HD3 LYS 39 OK 14 81 - 17 - 5274/3.0=3, 6150=3...(6) QD1 ILE 89 - HD2 LYS 39 OK 14 81 - 17 - 5274/3.0=3, 6150=3...(6) QD2 LEU 29 - HD3 LYS 73 poor 9 55 - 17 - 1512/5.2=2, 3768/6.1=2...(6) QD2 LEU 29 - HD2 LYS 73 poor 9 55 - 17 - 1512/5.2=2, 3768/6.1=2...(6) QD2 LEU 86 - HD2 LYS 73 poor 9 63 - 14 - ~5255=1, ~5257=1, 5262/3.5=1 QD2 LEU 86 - HD3 LYS 73 poor 9 63 - 14 - ~5255=1, ~5257=1, 5262/3.5=1 QD2 LEU 64 - HD2 LYS 32 poor 8 55 - 15 - 5014/6.1=4, 5162/3.0=3 QG2 ILE 68 - HD3 LYS 73 poor 8 40 - 19 - 5264/6.1=2, 4755/2.9=2...(8) QG2 ILE 68 - HD2 LYS 73 poor 8 40 - 19 - 5264/6.1=2, 4755/2.9=2...(8) QD2 LEU 86 - HD2 LYS 32 poor 6 63 - 10 - 4839/3.0=1 QD2 LEU 29 - HD2 LYS 32 poor 6 55 - 11 - 4839/3.0=2, 1511/6.1=2 QD1 LEU 43 - HD2 LYS 73 lone 6 63 - 9 - 4917/6085=1 QD1 LEU 43 - HD3 LYS 73 lone 6 63 - 9 - 4917/6085=1 QD1 LEU 43 - HD2 LYS 32 lone 4 63 - 6 - 4917/6085=2 QD2 LEU 64 - HD3 LYS 73 lone 3 55 - 6 - QD2 LEU 64 - HD2 LYS 73 lone 3 55 - 6 - QG2 ILE 89 - HD2 LYS 32 lone 3 58 - 4 - QG2 ILE 68 - HD2 LYS 32 lone 2 40 - 6 - QD1 ILE 89 - HD2 LYS 32 lone 2 44 - 4 - Peak 5119 from cnoeabs.peaks (0.91, 1.55, 25.35 ppm; 4.72 A): 4 out of 11 assignments used, quality = 0.93: HG LEU 51 + HG2 LYS 39 OK 78 92 - 85 - 2.1/6087=30, ~5204=16...(26) QD1 LEU 86 + HG2 LYS 39 OK 36 85 - 42 - ~5206=5, ~5111=3...(18) QG2 ILE 40 + HG2 LYS 39 OK 32 76 - 42 - 4301/6087=7, 4302/1.8=5...(13) QG2 VAL 41 + HG2 LYS 39 OK 24 63 - 38 - 3.2/5208=8, 4337/4.1=5...(13) HG12 ILE 68 - HG2 LYS 39 OK 23 93 - 25 - 2.1/4759=8, 4.5/5818=3...(8) QD2 LEU 62 - HG2 LYS 39 OK 19 76 - 24 - ~1876=2, 5110/2.9=2...(5) QD1 LEU 29 - HG2 LYS 39 OK 12 65 - 17 - ~5206=2, ~5111=1, 2241/6087=1 QG1 VAL 76 - HG2 LYS 39 OK 10 93 - 11 - 5110/2.9=1 QG2 VAL 76 - HG2 LYS 39 OK 10 93 - 11 - 5110/2.9=1 QG1 VAL 90 - HG2 LYS 39 lone 4 99 - 4 - QG2 VAL 90 - HG2 LYS 39 lone 4 99 - 4 - Peak 5120 from cnoeabs.peaks (7.16, 3.63, 64.52 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.89: QE PHE 48 + HA ILE 40 OK 89 100 - 89 - 2.2/4325=27, 4323/3.2=23...(22) Peak 5121 from cnoeabs.peaks (6.95, 3.63, 64.52 ppm; 4.67 A): 4 out of 4 assignments used, quality = 1.00: HZ PHE 48 + HA ILE 40 OK 88 99 - 89 - 2.2/5120=43, 3.8/4325=25...(18) QE PHE 35 + HA ILE 40 OK 86 97 - 88 - 2.2/5608=28, ~5609=18...(23) HZ PHE 35 + HA ILE 40 OK 70 98 - 72 - 3.8/5608=22, 4586=8...(19) HD22 ASN 42 + HA ILE 40 OK 59 89 - 67 - 1.7/3814=14, ~915=10...(15) Peak 5123 from cnoeabs.peaks (1.74, 3.63, 64.52 ppm; 5.18 A): 4 out of 14 assignments used, quality = 0.94: HB2 LEU 43 + HA ILE 40 OK 70 90 - 78 - 3.9/4372=15, 1.8/5124=13...(20) HG2 PRO 34 + HA ILE 40 OK 57 85 - 67 - 1.8/1928=19, ~1935=13...(12) HB2 LEU 62 + HA ILE 40 OK 38 99 - 38 - 2576/3.2=5, ~4310=4...(15) HB2 ARG 54 + HA ILE 40 OK 29 71 - 40 - ~5306=8, 5307/3.0=8...(9) HB ILE 33 - HA ILE 40 OK 20 63 - 32 - ~4224=5, 3.0/5124=5...(9) HG3 ARG 71 - HA ILE 40 OK 13 97 - 14 - 5.0/5492=6, 5.0/5837=5 HB3 LYS 85 - HA ILE 40 OK 11 87 - 13 - ~4303=2, ~4315=1, 2.9/5124=1 HB2 LEU 57 - HA ILE 40 poor 9 68 - 13 - ~5954=4, ~4599=2...(4) HB2 LEU 29 - HA ILE 40 lone 6 73 - 9 - HB3 LYS 83 - HA ILE 40 lone 6 76 - 8 - HG3 ARG 26 - HA ILE 40 lone 5 99 - 5 - HB2 ARG 84 - HA ILE 40 lone 4 93 - 4 - HB3 ARG 17 - HA ILE 40 lone 4 100 - 4 - HB3 ARG 82 - HA ILE 40 lone 3 71 - 4 - Peak 5124 from cnoeabs.peaks (1.43, 3.63, 64.52 ppm; 5.44 A): 6 out of 8 assignments used, quality = 0.94: HB3 LEU 43 + HA ILE 40 OK 74 97 - 76 - 3.9/4372=16, 3.0/5125=14...(19) HG3 LYS 39 + HA ILE 40 OK 37 76 - 49 - ~129=14, ~130=7...(13) HG12 ILE 33 + HA ILE 40 OK 31 89 - 35 - ~4224=8, 1.8/1927=5...(9) HG2 LYS 13 + HA ILE 40 OK 25 100 - 25 - 3.0/4819=5, 3.9/4816=3...(10) HG13 ILE 89 + HA ILE 40 OK 20 96 - 21 - 2.1/4296=4, ~4295=2...(8) HG3 LYS 13 + HA ILE 40 OK 14 60 - 24 - 3.0/4819=5, 3.9/4816=3...(9) HG3 LYS 85 - HA ILE 40 poor 7 68 - 10 - 2.9/5123=2, ~4303=1 QB ALA 30 - HA ILE 40 lone 6 87 - 7 - ~4326=1 Peak 5125 from cnoeabs.peaks (1.99, 3.63, 64.52 ppm; 4.62 A): 5 out of 10 assignments used, quality = 0.91: HG LEU 43 + HA ILE 40 OK 66 100 - 66 - 2.1/4703=12, 5.3/4372=9...(20) HG3 PRO 14 + HA ILE 40 OK 36 99 - 36 - 2.3/1113=6, 2.3/1106=5...(14) HG2 PRO 14 + HA ILE 40 OK 36 99 - 36 - 2.3/1113=6, 2.3/1106=5...(14) HB2 LEU 64 + HA ILE 40 OK 28 85 - 33 - 4.4/735=6, 4700/4.0=3...(15) HG2 ARG 66 + HA ILE 40 OK 12 83 - 14 - 4.9/272=4, 4609/5120=2 QE MET 31 - HA ILE 40 lone 9 100 - 9 - 5073/3.2=1, 5074/4703=1 HB3 MET 11 - HA ILE 40 lone 8 90 - 9 - 3.0/2660=1 HB3 GLN 79 - HA ILE 40 lone 3 100 - 3 - HB2 GLN 79 - HA ILE 40 lone 2 73 - 2 - HB VAL 90 - HA ILE 40 lone 1 63 - 2 - Peak 5127 from cnoeabs.peaks (5.92, 0.93, 18.83 ppm; 6.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5128 from cnoeabs.peaks (7.05, 0.93, 18.83 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.92: QD PHE 48 + QG2 ILE 40 OK 90 92 - 97 - 2.2/4323=45, 5613/2.1=25...(29) QD TYR 81 + QG2 ILE 40 OK 25 68 - 36 - 5619/3.0=7, 5613/2.1=7...(8) Peak 5130 from cnoeabs.peaks (3.64, 0.94, 22.13 ppm; 3.63 A): 4 out of 5 assignments used, quality = 0.93: HA ILE 40 + QG2 VAL 41 OK 70 99 - 71 - 3.6/1979=14, 3.0/4330=13...(23) HA ARG 69 + QG2 VAL 41 OK 58 97 - 60 - 4767/2.1=8, 4769=6...(24) HA VAL 65 + QG2 VAL 41 OK 40 98 - 40 - 4706/2.1=7, 4705=5...(17) HD3 PRO 44 + QG2 VAL 41 OK 11 60 - 19 - 1.8/4401=3, 4.8/625=3...(7) HD3 PRO 14 - QG2 VAL 41 lone 6 76 - 8 - 138/4.0=1 Peak 5131 from cnoeabs.peaks (8.77, 2.09, 32.30 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.89: H PHE 48 + HB3 PRO 44 OK 72 99 - 73 - 5132/1.8=16, 640/3.0=13...(16) H ASP 46 + HB3 PRO 44 OK 62 100 - 62 - 162/4.2=17, 5132/1.8=14...(14) H ASP 46 - HB3 MET 31 poor 6 46 - 13 - 634/3.0=2, 4.6/4431=2...(5) H PHE 48 - HB3 MET 31 poor 5 45 - 11 - 4452/4.0=4, 4.6/4431=2 Peak 5132 from cnoeabs.peaks (8.77, 2.48, 32.30 ppm; 4.79 A): 2 out of 4 assignments used, quality = 0.92: H PHE 48 + HB2 PRO 44 OK 77 100 - 77 - 5131/1.8=22, 640/3.0=15...(14) H ASP 46 + HB2 PRO 44 OK 65 100 - 66 - 4.6/156=23, 5131/1.8=19...(9) H ASP 46 - HB3 PRO 36 poor 8 56 - 14 - 4.6/156=4, 5131/2073=2...(4) H PHE 48 - HB3 PRO 36 poor 7 56 - 13 - 5131/2073=3, 4.6/4392=2...(7) Peak 5134 from cnoeabs.peaks (2.59, 2.05, 27.95 ppm; 5.21 A): 2 out of 3 assignments used, quality = 0.97: HB3 ASP 47 + HG2 PRO 44 OK 88 100 - 88 - ~5644=26, ~4435=20...(14) HG2 GLN 61 + HG2 PRO 44 OK 75 93 - 80 - 4397/2.3=16, 2553/1.8=15...(19) HB3 ASP 24 - HG2 PRO 44 OK 24 100 - 24 - 4397/2.3=6, 4396/2.3=5...(7) Peak 5135 from cnoeabs.peaks (2.59, 2.14, 27.95 ppm; 5.36 A): 2 out of 5 assignments used, quality = 0.98: HB3 ASP 47 + HG3 PRO 44 OK 88 100 - 88 - ~5644=27, ~4435=21...(12) HG2 GLN 61 + HG3 PRO 44 OK 85 99 - 86 - 4397/2.3=17, 5134/1.8=17...(23) HB3 ASP 24 - HG3 PRO 44 OK 24 99 - 24 - 4397/2.3=6, 4396/2.3=5...(4) HB2 ASP 38 - HG3 PRO 44 poor 9 65 - 13 - 4396/2.3=2, 4397/2.3=1...(4) HB3 ASP 38 - HG3 PRO 44 poor 8 63 - 13 - 4396/2.3=1, ~4396=1...(5) Peak 5136 from cnoeabs.peaks (0.82, 7.07, 131.51 ppm; 6.50 A): 2 out of 8 assignments used, quality = 0.98: QD1 LEU 43 + QD PHE 48 OK 95 97 - 98 - 4370=34, 2.1/4919=32...(22) QG2 ILE 68 + QD PHE 48 OK 46 94 - 48 - 5249/5619=11...(16) QD1 ILE 89 - QD PHE 48 OK 36 96 - 38 - ~4472=7, 4935/2.5=5...(11) QG2 ILE 89 - QD PHE 48 OK 30 79 - 38 - 4935/2.5=6, ~4472=6...(11) QD2 LEU 64 - QD PHE 48 OK 29 72 - 41 - 4935/2.5=5, 4468/3.7=5...(14) QD2 LEU 29 - QD PHE 48 OK 25 72 - 35 - 4935/2.5=6, 4468/3.7=6...(11) QG1 VAL 41 - QD PHE 48 OK 22 69 - 32 - ~4612=5, 2.1/4623=5...(9) QD2 LEU 86 - QD PHE 48 OK 21 94 - 22 - 4468/3.7=4, 4935/2.5=4...(5) Peak 5139 from cnoeabs.peaks (7.04, 1.60, 41.26 ppm; 6.02 A): 1 out of 1 assignment used, quality = 0.70: QD PHE 48 + HB3 LEU 51 OK 70 81 - 87 - 4625/3.1=40, ~6095=30...(14) Peak 5140 from cnoeabs.peaks (7.35, 0.89, 26.17 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.94: QD TYR 55 + HG LEU 51 OK 94 95 - 100 - 4637/2.1=48, 4665/2.1=48...(24) Peak 5141 from cnoeabs.peaks (7.53, 3.81, 57.23 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.94: H ARG 54 + HA LEU 52 OK 83 100 - 83 - 4966=34, 207/3.6=30...(15) H LEU 51 + HA LEU 52 OK 67 99 - 68 - 924/3.0=27, 926/3.6=16...(11) H LEU 43 - HA LEU 52 OK 22 100 - 22 - 193/3.0=6, 926/3.6=3...(7) HD21 ASN 80 - HA LEU 52 poor 9 83 - 11 - 193/3.0=3, 926/3.6=2...(4) Peak 5142 from cnoeabs.peaks (7.32, 3.89, 57.93 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.81: QD TYR 55 + HA LEU 51 OK 81 90 - 90 - 4531/4.0=37, 4665/4.0=31...(22) Peak 5143 from cnoeabs.peaks (7.68, 3.81, 57.23 ppm; 5.05 A): 3 out of 3 assignments used, quality = 0.91: H TYR 55 + HA LEU 52 OK 84 98 - 86 - 4581=39, 4.4/6131=28...(12) H GLN 61 + HA LEU 52 OK 38 100 - 38 - 5760/3.0=10, 4657/3.0=8...(12) H MET 31 + HA LEU 52 OK 11 68 - 17 - 5086/3.0=3, 4559/3.6=3...(7) Peak 5144 from cnoeabs.peaks (0.62, 1.76, 30.94 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 51 + HB2 ARG 54 OK 97 100 - 97 - 5145/1.8=32, 2.1/5146=22...(37) QD1 LEU 51 - HB2 PRO 34 OK 20 50 - 41 - 4534/5707=7, 2.1/5146=5...(12) QD1 LEU 51 - HB3 ARG 17 lone 3 48 - 6 - Peak 5145 from cnoeabs.peaks (0.60, 1.55, 30.94 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.76: QD1 LEU 51 + HB3 ARG 54 OK 76 78 - 97 - 5144/1.8=25, 4573/3.6=19...(39) Peak 5146 from cnoeabs.peaks (0.18, 1.76, 30.94 ppm; 6.19 A): 2 out of 3 assignments used, quality = 0.92: QD2 LEU 51 + HB2 ARG 54 OK 91 92 - 99 - ~5145=40, 2.1/5144=38...(39) QD2 LEU 51 + HB2 PRO 34 OK 20 42 - 48 - 4568/5707=10, 2.1/5144=8...(14) QD2 LEU 51 - HB3 ARG 17 lone 3 41 - 8 - 2.1/5144=1 Peak 5147 from cnoeabs.peaks (0.62, 7.34, 134.10 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 51 + QD TYR 55 OK 99 100 - 100 - 2.1/4665=50, 4531=44...(35) Peak 5148 from cnoeabs.peaks (1.55, 7.34, 134.10 ppm; 6.23 A): 4 out of 8 assignments used, quality = 1.00: HB3 ARG 54 + QD TYR 55 OK 100 100 - 100 - 4.6/687=45, 4.1/5703=44...(32) HG2 LYS 39 + QD TYR 55 OK 70 100 - 71 - 5939/4601=19...(23) HG3 ARG 54 + QD TYR 55 OK 68 68 - 100 - 1.8/4968=47, 4.8/687=44...(32) HG LEU 62 + QD TYR 55 OK 45 90 - 50 - 5950=7, 2.1/4655=7...(20) HB3 LEU 86 - QD TYR 55 OK 25 94 - 26 - 3.1/4655=5, 3.0/5950=4...(9) HG LEU 64 - QD TYR 55 OK 18 97 - 18 - 5325/4989=3, ~4584=2...(6) HG2 ARG 82 - QD TYR 55 OK 10 78 - 13 - 2.9/4247=2, 213/4.4=1 HG3 ARG 23 - QD TYR 55 lone 9 98 - 9 - Peak 5149 from cnoeabs.peaks (1.01, 2.94, 40.22 ppm; 4.60 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 57 + HB3 TYR 55 OK 87 95 - 92 - 2.1/4590=22, 4586/1.8=22...(21) QD1 ILE 40 + HB3 TYR 55 OK 35 78 - 44 - 2.1/4588=12, 4635/2.5=11...(8) QG1 VAL 45 + HB3 TYR 55 OK 26 76 - 34 - 4586/1.8=8, 5730/3.8=7...(12) Peak 5150 from cnoeabs.peaks (2.79, 1.95, 26.44 ppm; 5.26 A): 1 out of 3 assignments used, quality = 0.95: HB2 TYR 55 + HG LEU 57 OK 95 99 - 96 - 4584=29, 4587/2.1=26...(21) HB3 ASN 74 - HG LEU 57 OK 38 95 - 40 - 5748/2.1=9, 4.0/2449=8...(8) HB2 ASN 74 - HG LEU 57 OK 37 89 - 41 - 5152/2.1=9, 5748/2.1=8...(9) Peak 5151 from cnoeabs.peaks (2.93, 1.95, 26.44 ppm; 5.24 A): 2 out of 8 assignments used, quality = 0.97: HB3 TYR 55 + HG LEU 57 OK 95 99 - 96 - 1.8/4584=27, 4590/2.1=26...(20) HB3 PHE 35 + HG LEU 57 OK 43 81 - 53 - ~5742=26, ~4565=15...(7) HE3 LYS 73 - HG LEU 57 OK 15 81 - 19 - 5745/5.2=3, 4604/2.1=3...(5) HE2 LYS 32 - HG LEU 57 OK 15 78 - 19 - 4604/2.1=3, ~4604=3...(6) HE2 LYS 73 - HG LEU 57 OK 15 78 - 19 - 5745/5.2=3, 4604/2.1=3...(5) HE3 LYS 32 - HG LEU 57 OK 15 76 - 19 - 4604/2.1=3, ~4604=3...(6) HE3 LYS 75 - HG LEU 57 poor 7 60 - 12 - 4604/2.1=2, ~4604=2, ~4985=2 HE2 LYS 75 - HG LEU 57 poor 7 57 - 12 - 4604/2.1=2, ~4604=2, ~4985=2 Peak 5152 from cnoeabs.peaks (2.81, 0.71, 23.03 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.95: HB2 TYR 55 + QD2 LEU 57 OK 95 100 - 96 - 3.0/6132=32, 4587=30...(22) HB2 ASN 74 - QD2 LEU 57 OK 38 99 - 38 - 5748/2.1=7, 5150/2.1=7...(10) HB3 ASN 74 - QD2 LEU 57 OK 27 73 - 36 - 5748/2.1=7, 5150/2.1=7...(9) Peak 5154 from cnoeabs.peaks (0.44, 1.00, 27.02 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 52 + QD1 LEU 57 OK 96 99 - 97 - 2.1/4613=49, 3.9/4607=31...(25) Peak 5159 from cnoeabs.peaks (9.04, 2.16, 34.98 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.88: H THR 58 + HG3 GLN 61 OK 88 92 - 96 - 4653/3.0=44, 4654/3.0=43...(13) Peak 5161 from cnoeabs.peaks (1.65, 0.84, 25.67 ppm; 3.86 A): 7 out of 13 assignments used, quality = 0.86: HB3 GLN 61 + QD2 LEU 64 OK 35 93 - 38 - 1.8/5311=9, 3.0/4504=5...(14) HG2 ARG 23 + QD2 LEU 64 OK 34 71 - 48 - 1.8/2644=7, 1289/2.1=6...(19) HG LEU 29 + QD2 LEU 64 OK 28 60 - 46 - 3.0/1489=6, 1503=5...(23) HG3 ARG 27 + QD2 LEU 64 OK 23 95 - 24 - 5.0/5521=3, 5100=3...(7) HG2 ARG 27 + QD2 LEU 64 OK 22 93 - 24 - 5.0/5521=3, 5100=3...(7) HG3 ARG 17 + QD2 LEU 64 OK 14 68 - 20 - 5.0/3918=2, 5100=2...(7) HG2 ARG 17 + QD2 LEU 64 OK 13 65 - 20 - 5.0/3918=2, 5100=2...(7) HD2 LYS 13 - QD2 LEU 64 lone 8 83 - 9 - 2.9/5029=1 HD3 LYS 13 - QD2 LEU 64 lone 8 83 - 9 - 2.9/5029=1 HG2 ARG 26 - QD2 LEU 64 poor 8 73 - 10 - 3.0/5028=1, 3.0/5028=1...(4) HG2 ARG 71 - QD2 LEU 64 lone 7 68 - 10 - 3.8/4163=1, 2.8/5028=1 HD3 LYS 75 - QD2 LEU 64 lone 6 85 - 7 - 3.5/5111=1 HD2 LYS 75 - QD2 LEU 64 lone 6 85 - 7 - 3.5/5111=1 Peak 5162 from cnoeabs.peaks (1.34, 0.84, 25.67 ppm; 3.82 A): 4 out of 7 assignments used, quality = 0.80: QB ALA 28 + QD2 LEU 64 OK 56 100 - 56 - 4177=14, 2.1/4173=11...(14) HB2 LEU 52 + QD2 LEU 64 OK 37 100 - 37 - 3.9/2640=5, ~4552=5...(13) HB2 LEU 51 + QD2 LEU 64 OK 18 89 - 20 - 4.6/2640=4, 3.1/4520=4...(6) HG3 LYS 32 + QD2 LEU 64 OK 11 97 - 12 - 4.9/5014=3, 3.9/4384=2 QB ALA 16 - QD2 LEU 64 lone 8 81 - 9 - 3.6/3918=3, 5.0/5027=1 QB ALA 12 - QD2 LEU 64 lone 6 99 - 6 - QG2 THR 58 - QD2 LEU 64 lone 4 68 - 5 - 4627/5311=1 Peak 5163 from cnoeabs.peaks (1.95, 1.21, 23.08 ppm; 4.67 A): 4 out of 9 assignments used, quality = 0.98: HG LEU 57 + QG2 VAL 65 OK 75 100 - 76 - 2.1/4725=23, ~4707=19...(14) HB2 LEU 64 + QG2 VAL 65 OK 65 83 - 79 - 4.4/2669=22, 4.0/4715=20...(19) HB3 ARG 66 + QG2 VAL 65 OK 50 97 - 51 - 3.0/5244=14, 4.0/275=13...(12) HG13 ILE 68 + QG2 VAL 65 OK 45 63 - 72 - 3.2/5965=11, ~4706=10...(20) HB VAL 41 - QG2 VAL 65 OK 38 78 - 49 - ~5964=7, 2.1/4724=6...(12) HB3 ARG 70 - QG2 VAL 65 OK 31 100 - 31 - 3.0/5244=9, 2690/4.1=8...(6) HB2 ARG 70 - QG2 VAL 65 OK 31 100 - 31 - 3.0/5244=9, 2690/4.1=8...(6) HB2 MET 31 - QG2 VAL 65 OK 19 90 - 21 - 6120/4725=3, 6120/4725=3...(5) HB2 GLN 79 - QG2 VAL 65 lone 5 92 - 5 - Peak 5164 from cnoeabs.peaks (1.90, 1.23, 22.65 ppm; 4.32 A): 4 out of 13 assignments used, quality = 0.99: HG12 ILE 40 + QG1 VAL 65 OK 90 100 - 91 - 2.1/5035=27, ~5033=16...(32) HB ILE 68 + QG1 VAL 65 OK 74 100 - 74 - 2.1/5964=14, 4750/3.2=9...(24) HG13 ILE 68 + QG1 VAL 65 OK 52 76 - 69 - 3.2/5964=12, 1.8/5034=10...(21) HB2 MET 11 + QG1 VAL 65 OK 46 90 - 51 - 3.0/2666=10, 967/2.1=8...(15) HB2 ARG 66 - QG1 VAL 65 OK 34 71 - 49 - 4.0/274=11, ~5244=8...(12) HB VAL 41 - QG1 VAL 65 OK 26 60 - 43 - 2.1/5964=8, 2.1/5034=5...(12) HB3 PRO 14 - QG1 VAL 65 OK 26 93 - 27 - 1113/3.2=4, 3.0/2665=3...(12) HB3 PRO 34 - QG1 VAL 65 OK 13 65 - 21 - 2.3/5035=6, ~5033=3...(6) HB3 ARG 26 - QG1 VAL 65 lone 6 83 - 8 - 2682/4.1=3 HB2 ARG 26 - QG1 VAL 65 lone 6 81 - 8 - 2682/4.1=3 HB3 GLU 87 - QG1 VAL 65 lone 3 99 - 3 - HB2 GLU 19 - QG1 VAL 65 lone 3 98 - 3 - HB2 GLN 91 - QG1 VAL 65 lone 2 100 - 2 - Peak 5165 from cnoeabs.peaks (4.06, 1.70, 28.91 ppm; 6.50 A): 3 out of 7 assignments used, quality = 0.99: HA ALA 63 + HG3 ARG 66 OK 86 100 - 86 - 4691/4.9=40, 5370/1.8=21...(17) HA ARG 71 + HG3 ARG 66 OK 76 97 - 79 - 5167/1.8=12, 2.9/307=10...(30) HA ARG 26 + HG3 ARG 66 OK 64 100 - 64 - 5167/1.8=9, 5036/4.9=7...(24) HA VAL 90 - HG3 ARG 66 OK 32 97 - 33 - 3641/1.8=6, 5036/4.9=4...(13) HA GLU 25 - HG3 ARG 66 poor 10 73 - 13 - ~4833=1, 5036/4.9=1, 5167/1.8=1 HD2 PRO 44 - HG3 ARG 66 lone 6 65 - 9 - 1.8/4924=1 HA GLU 59 - HG3 ARG 66 lone 5 83 - 7 - Peak 5166 from cnoeabs.peaks (4.07, 3.19, 43.48 ppm; 4.55 A): 9 out of 78 assignments used, quality = 1.00: HA ALA 63 + HD2 ARG 66 OK 62 99 - 63 - 4691/6.2=15, 5370/3.0=13...(9) HA ALA 63 + HD3 ARG 66 OK 62 99 - 63 - 4691/6.2=15, 5370/3.0=13...(9) HA ARG 71 + HD2 ARG 66 OK 58 99 - 59 - 5167/3.0=6, 5395/3.0=5...(24) HA ARG 71 + HD3 ARG 66 OK 58 99 - 59 - 5167/3.0=6, 5395/3.0=5...(22) HA ARG 71 + HD3 ARG 70 OK 56 90 - 62 - ~307=7, 5395/3.0=6...(23) HA ARG 71 + HD2 ARG 70 OK 54 87 - 62 - ~307=7, 5395/3.0=6...(23) HA ARG 71 + HD3 ARG 71 OK 53 55 - 97 - 4.7=92, ~2928=10...(24) HA ARG 26 + HD3 ARG 26 OK 51 53 - 96 - 4.8=85, ~1390=11...(29) HA ARG 26 + HD2 ARG 26 OK 50 52 - 96 - 4.8=85, ~1390=11...(30) HA ARG 26 - HD2 ARG 66 OK 42 100 - 43 - 5167/3.0=5, 5395/3.0=4...(15) HA ARG 26 - HD3 ARG 66 OK 42 100 - 43 - 5167/3.0=5, 5395/3.0=4...(15) HA ARG 71 - HD3 ARG 26 OK 32 52 - 62 - 1391/3.0=9, ~1390=4...(24) HA ARG 71 - HD2 ARG 26 OK 31 50 - 62 - 1391/3.0=9, ~1390=4...(22) HA ARG 26 - HD3 ARG 71 OK 27 56 - 48 - 2929/3.0=9, 2921/3.0=5...(19) HA ALA 63 - HD3 ARG 70 OK 23 89 - 25 - 4684/3.5=4, 4684/3.5=4...(8) HA ALA 63 - HD2 ARG 70 OK 22 85 - 25 - 4684/3.5=4, 4684/3.5=4...(8) HA VAL 90 - HD2 ARG 66 OK 20 99 - 20 - 3641/3.0=3, 5165/3.0=2...(8) HA VAL 90 - HD3 ARG 66 OK 20 99 - 20 - 3641/3.0=3, 5165/3.0=2...(8) HA ARG 26 - HD3 ARG 70 OK 15 92 - 17 - 5395/3.0=2, 5372/3.5=1 HA ARG 26 - HD2 ARG 70 OK 15 89 - 17 - 5395/3.0=2, 5372/3.5=1 HA ARG 26 - HD2 ARG 27 OK 14 45 - 32 - 3.6/5382=5, 3.0/532=3...(12) HA ARG 26 - HD3 ARG 27 OK 14 45 - 32 - 3.6/5382=5, 3.0/532=3...(12) HA GLU 25 - HD3 ARG 26 OK 12 39 - 32 - 1391/3.0=6, 526/6.1=6...(13) HA GLU 25 - HD2 ARG 26 OK 12 38 - 32 - 1391/3.0=6, 526/6.1=6...(13) HA ALA 63 - HD3 ARG 71 OK 11 54 - 21 - 2929/3.0=4, 5369/3.5=3...(7) HA ARG 71 - HD2 ARG 27 OK 11 43 - 26 - 61/6.3=3, 1383/3.0=2...(5) HA ARG 71 - HD3 ARG 27 OK 11 43 - 26 - 61/6.3=3, 1383/3.0=2...(5) HA ALA 63 - HD3 ARG 26 OK 11 50 - 22 - 4686=4, 4686/1.8=4...(7) HA ALA 63 - HD2 ARG 26 OK 11 49 - 22 - 4686=4, 4686/1.8=4...(7) HA ARG 71 - HD3 ARG 17 poor 8 29 - 28 - 2902/1.8=3, 2900/3.0=2...(5) HA ARG 71 - HD2 ARG 17 poor 8 29 - 28 - 2902/1.8=3, 2900/3.0=2...(5) HA GLU 25 - HD3 ARG 66 lone 7 85 - 8 - 3.6/532=2 HA GLU 25 - HD2 ARG 66 lone 7 85 - 8 - 3.6/532=2 HA ARG 71 - HD3 ARG 23 poor 6 37 - 17 - 2902/1.8=1 HA ARG 71 - HD2 ARG 23 poor 6 37 - 17 - 2902/1.8=1 HA GLU 25 - HD3 ARG 71 poor 6 42 - 14 - 2929/3.0=3, 2921/3.0=2...(5) HA ARG 26 - HD2 ARG 17 poor 5 30 - 17 - 3.7/1396=1, 3.6/5382=1 HA ARG 26 - HD3 ARG 17 poor 5 30 - 17 - 3.7/1396=1, 3.6/5382=1 HA GLU 25 - HD3 ARG 27 poor 5 33 - 15 - 61/6.3=3, 3.6/532=3...(5) HA GLU 25 - HD2 ARG 27 poor 5 33 - 15 - 61/6.3=3, 3.6/532=3...(5) HA GLU 25 - HD3 ARG 70 lone 4 73 - 5 - HA ARG 26 - HD3 ARG 23 lone 4 38 - 9 - 3.6/5382=2 HA ARG 26 - HD2 ARG 23 lone 4 38 - 9 - 3.6/5382=2 HA ALA 63 - HD3 ARG 27 lone 3 42 - 8 - 4686=1, 4686/1.8=1 HA ALA 63 - HD2 ARG 27 lone 3 42 - 8 - 4686=1, 4686/1.8=1 HA GLU 25 - HD2 ARG 70 lone 3 69 - 5 - HA VAL 90 - HD3 ARG 70 lone 3 90 - 3 - HA VAL 90 - HD2 ARG 70 lone 3 87 - 3 - HA VAL 90 - HD3 ARG 26 lone 2 52 - 5 - HA ALA 63 - HD3 ARG 17 lone 2 28 - 8 - 5783/5.6=3, 4686=1, 4686/1.8=1 HA ALA 63 - HD2 ARG 17 lone 2 28 - 8 - 5783/5.6=3, 4686=1, 4686/1.8=1 HA VAL 90 - HD2 ARG 26 lone 2 50 - 5 - HA GLU 59 - HD2 ARG 66 lone 2 71 - 3 - HA GLU 59 - HD3 ARG 66 lone 2 71 - 3 - HA ALA 63 - HD2 ARG 23 lone 2 36 - 5 - HA ALA 63 - HD3 ARG 23 lone 2 36 - 5 - HA VAL 90 - HD3 ARG 71 lone 2 55 - 3 - HA GLU 59 - HD3 ARG 70 lone 2 60 - 3 - HA GLU 59 - HD2 ARG 70 lone 2 57 - 3 - HA GLU 59 - HD3 ARG 26 lone 1 31 - 3 - HA GLU 59 - HD2 ARG 26 lone 1 30 - 3 - HA VAL 90 - HD3 ARG 27 lone 1 43 - 2 - HA VAL 90 - HD2 ARG 27 lone 1 43 - 2 - HA GLU 25 - HD3 ARG 17 lone 1 21 - 4 - HA GLU 25 - HD2 ARG 17 lone 1 21 - 4 - HA GLU 25 - HD3 ARG 23 lone 1 28 - 3 - HA GLU 25 - HD2 ARG 23 lone 1 28 - 3 - HA GLU 59 - HD3 ARG 71 lone 1 33 - 3 - HA VAL 90 - HD3 ARG 23 lone 1 37 - 1 - HA VAL 90 - HD2 ARG 23 lone 1 37 - 1 - HA VAL 90 - HD2 ARG 17 lone 0 29 - 2 - HA VAL 90 - HD3 ARG 17 lone 0 29 - 2 - HA GLU 59 - HD2 ARG 27 lone 0 26 - 2 - HA GLU 59 - HD3 ARG 27 lone 0 26 - 2 - HA GLU 59 - HD2 ARG 23 lone 0 22 - 1 - HA GLU 59 - HD3 ARG 23 lone 0 22 - 1 - HA GLU 59 - HD2 ARG 17 lone 0 17 - 2 - HA GLU 59 - HD3 ARG 17 lone 0 17 - 2 - Peak 5167 from cnoeabs.peaks (4.06, 2.01, 28.91 ppm; 5.15 A): 3 out of 14 assignments used, quality = 0.95: HA ALA 63 + HG2 ARG 66 OK 76 100 - 76 - 4691/4.9=27, 5370=21...(12) HA ARG 71 + HG2 ARG 66 OK 61 97 - 64 - 5165/1.8=7, ~307=7...(25) HA ARG 26 + HG2 ARG 66 OK 48 100 - 48 - 5165/1.8=6, 3.0/2700=5...(19) HA VAL 90 - HG2 ARG 66 OK 29 97 - 30 - 3641=5, 3.2/5373=3...(9) HA ALA 63 - HB3 GLN 79 lone 7 89 - 8 - 4691/5038=2, 5370=2 HA VAL 90 - HB3 GLN 79 lone 7 83 - 8 - 3641=1 HA GLU 59 - HB3 GLN 79 lone 7 68 - 10 - 2487/3.0=2, 2487/3.0=2, ~704=1 HA GLU 25 - HG2 ARG 66 lone 6 73 - 8 - HA GLU 25 - HB3 GLN 79 lone 4 59 - 6 - HA ARG 71 - HB3 GLN 79 lone 4 83 - 5 - HD2 PRO 44 - HG2 ARG 66 lone 4 65 - 6 - HA ARG 26 - HB3 GLN 79 lone 3 88 - 4 - HA GLU 59 - HG2 ARG 66 lone 3 83 - 4 - HD2 PRO 44 - HB3 GLN 79 lone 2 52 - 3 - Peak 5168 from cnoeabs.peaks (1.20, 1.92, 28.80 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.96: QG2 VAL 65 + HG13 ILE 68 OK 83 95 - 88 - ~4706=16, ~5964=15...(26) QG2 THR 37 + HG13 ILE 68 OK 56 63 - 90 - 4757/2.1=23, 4754/3.2=20...(21) HG13 ILE 33 + HG13 ILE 68 OK 43 83 - 52 - ~5376=32, 4749/2.9=6...(9) HG LEU 52 - HG13 ILE 68 OK 34 100 - 34 - 4757/2.1=7, ~4758=7...(8) QG2 THR 15 - HG13 ILE 68 OK 13 99 - 13 - 4757/2.1=3, ~4765=2...(5) Peak 5170 from cnoeabs.peaks (0.94, 1.61, 28.78 ppm; 5.51 A): 3 out of 56 assignments used, quality = 0.95: QG2 VAL 41 + HD2 LYS 73 OK 72 100 - 72 - ~4904=18, 5625/5.2=12...(16) QG2 VAL 41 + HD3 LYS 73 OK 72 100 - 72 - ~4904=18, 5625/5.2=12...(16) QD2 LEU 43 + HD2 LYS 39 OK 31 61 - 51 - 4909/3.0=8, 4909/3.0=8...(15) HG12 ILE 68 - HG2 ARG 71 OK 31 89 - 34 - 5055/5.0=7, 5834/5.0=7...(10) QD1 LEU 64 - HD2 LYS 39 OK 29 47 - 62 - 4896/3.0=11, ~5206=9...(19) QD2 LEU 43 - HD3 LYS 39 OK 29 58 - 51 - 4909/3.0=8, 4909/3.0=8...(16) QG2 VAL 76 - HD2 LYS 73 OK 29 93 - 31 - 5263/6.1=5, 5430/5.2=5...(12) QG2 VAL 76 - HD3 LYS 73 OK 29 93 - 31 - 5263/6.1=5, 5430/5.2=5...(12) QG1 VAL 76 - HD2 LYS 73 OK 29 93 - 31 - 5263/6.1=5, 5430/5.2=4...(12) QG1 VAL 76 - HD3 LYS 73 OK 29 93 - 31 - 5263/6.1=5, 5430/5.2=4...(12) QG2 VAL 41 - HD2 LYS 39 OK 28 65 - 43 - 4337/5.0=8, 4896/3.0=7...(13) QD1 LEU 64 - HD3 LYS 39 OK 28 45 - 62 - 4896/3.0=11, ~5206=9...(19) QG2 VAL 41 - HD3 LYS 39 OK 27 63 - 43 - 4337/5.0=8, 4896/3.0=7...(13) QD2 LEU 62 - HG2 ARG 71 OK 25 97 - 26 - 5834/5.0=4, 5958/3.0=3...(6) QG2 VAL 41 - HD3 LYS 32 OK 25 100 - 25 - 2.1/4345=4, ~4345=3...(10) QG2 VAL 41 - HD2 LYS 32 OK 25 100 - 25 - 2.1/4345=4, ~4345=3...(10) QD2 LEU 62 - HD2 LYS 73 OK 24 100 - 23 - 5005/2.9=4, 5263/6.1=2...(5) QD2 LEU 62 - HD3 LYS 73 OK 24 100 - 23 - 5005/2.9=4, 5263/6.1=2...(5) QG2 VAL 41 - HG2 ARG 71 OK 22 98 - 23 - 5055/5.0=9, 5834/5.0=5 QG2 ILE 40 - HD2 LYS 39 OK 22 64 - 34 - 4302/3.0=7, 4303/3.5=7...(11) QD2 LEU 62 - HD3 LYS 32 OK 21 100 - 21 - 5004/3.0=3, 5237/4953=1...(4) QD2 LEU 62 - HD2 LYS 32 OK 21 100 - 21 - 5004/3.0=3, 5237/4953=1...(4) HG12 ILE 68 - HD3 LYS 73 OK 21 93 - 22 - 5263/6.1=3, ~5256=2...(10) HG12 ILE 68 - HD2 LYS 73 OK 21 93 - 22 - 5263/6.1=3, ~5256=2...(10) QG2 ILE 40 - HD3 LYS 39 OK 21 62 - 34 - 4302/3.0=7, 4303/3.5=7...(11) QD2 LEU 62 - HD2 LYS 39 OK 18 64 - 27 - 4896/3.0=4, ~1876=2...(5) QD2 LEU 62 - HD3 LYS 39 OK 17 62 - 27 - 4896/3.0=4, ~1876=2...(5) QD1 LEU 64 - HG2 ARG 71 OK 16 78 - 20 - 5834/5.0=3, 5022/2.8=2...(5) QG2 ILE 40 - HG2 ARG 71 OK 15 97 - 16 - 4326/5.0=5, 5834/5.0=4, ~5123=1 QG2 ILE 40 - HD2 LYS 73 OK 15 100 - 15 - 4303/3.5=3, 5263/6.1=2...(4) QG2 ILE 40 - HD3 LYS 73 OK 15 100 - 15 - 4303/3.5=3, 5263/6.1=2...(4) QD1 LEU 64 - HD3 LYS 32 OK 12 83 - 14 - ~5162=3, 5012/6.1=2, 5794/5.1=1 QG2 VAL 76 - HD2 LYS 32 OK 12 93 - 12 - ~1585=2, ~1595=2 QG2 VAL 76 - HD3 LYS 32 OK 12 93 - 12 - ~1585=2, ~1595=2 QG1 VAL 76 - HD2 LYS 32 OK 12 93 - 12 - ~1585=2, ~1595=2 QG1 VAL 76 - HD3 LYS 32 OK 12 93 - 12 - ~1585=2, ~1595=2 QD1 LEU 64 - HD2 LYS 32 OK 11 83 - 14 - ~5162=3, 5012/6.1=2, 5794/5.1=1 QD2 LEU 43 - HG2 ARG 71 OK 10 94 - 11 - 5834/5.0=2, 5055/5.0=1 HG12 ILE 68 - HD2 LYS 39 OK 11 56 - 19 - ~4759=6, 4896/3.0=3...(6) QG1 VAL 76 - HG2 ARG 71 OK 10 89 - 12 - 5055/5.0=3, 5834/5.0=2 QG2 VAL 76 - HG2 ARG 71 OK 10 89 - 12 - 5055/5.0=3, 5834/5.0=2 HG12 ILE 68 - HD3 LYS 39 poor 10 54 - 19 - ~4759=6, 4896/3.0=3...(6) QD2 LEU 43 - HD3 LYS 73 lone 9 97 - 10 - QD2 LEU 43 - HD2 LYS 73 lone 9 97 - 10 - QG2 ILE 40 - HD2 LYS 32 lone 7 100 - 8 - QG2 ILE 40 - HD3 LYS 32 lone 7 100 - 7 - HG12 ILE 68 - HD3 LYS 32 lone 7 93 - 7 - ~4758=1 HG12 ILE 68 - HD2 LYS 32 lone 7 93 - 7 - ~4758=1 QD1 LEU 64 - HD2 LYS 73 lone 6 83 - 8 - QD1 LEU 64 - HD3 LYS 73 lone 6 83 - 8 - QD2 LEU 43 - HD3 LYS 32 lone 6 97 - 6 - QD2 LEU 43 - HD2 LYS 32 lone 6 97 - 6 - QG2 VAL 76 - HD2 LYS 39 lone 5 56 - 9 - 4896/3.0=1, ~5119=1 QG1 VAL 76 - HD2 LYS 39 lone 5 56 - 9 - 4896/3.0=1, ~5119=1 QG2 VAL 76 - HD3 LYS 39 lone 5 54 - 9 - 4896/3.0=1, ~5119=1 QG1 VAL 76 - HD3 LYS 39 lone 5 54 - 9 - 4896/3.0=1, ~5119=1 Peak 5171 from cnoeabs.peaks (0.81, 1.61, 28.78 ppm; 4.97 A): 5 out of 56 assignments used, quality = 0.96: QG1 VAL 41 + HD3 LYS 73 OK 54 83 - 65 - 4904/2.9=18, 4345/1.8=10...(16) QG1 VAL 41 + HD2 LYS 73 OK 54 83 - 65 - 4904/2.9=18, 4345/1.8=10...(16) QG2 ILE 68 + HG2 ARG 71 OK 51 96 - 53 - ~5985=20, 5056/5.0=9...(12) QD1 ILE 89 + HD2 LYS 73 OK 42 100 - 42 - 5274/2.9=9, 3634/3.5=8...(11) QD1 ILE 89 + HD3 LYS 73 OK 42 100 - 42 - 5274/2.9=9, 3634/3.5=8...(11) QG2 ILE 68 - HD2 LYS 73 OK 27 99 - 27 - 5264/6.1=4, 4755/2.9=3...(11) QG2 ILE 68 - HD3 LYS 73 OK 27 99 - 27 - 5264/6.1=4, 4755/2.9=3...(11) QG2 ILE 89 - HD3 LYS 73 OK 25 68 - 38 - 3613/3.5=6, ~5274=5...(14) QG2 ILE 89 - HD2 LYS 73 OK 25 68 - 38 - 3613/3.5=6, ~5274=5...(14) QD1 LEU 43 - HD2 LYS 39 OK 24 56 - 44 - ~4909=5, 5357/5.0=5...(18) QD1 LEU 43 - HD3 LYS 39 OK 23 54 - 44 - ~4909=5, 5357/5.0=5...(18) QG1 VAL 41 - HD3 LYS 32 OK 19 83 - 23 - 4345=3, 4345/1.8=3...(9) QG1 VAL 41 - HD2 LYS 32 OK 19 83 - 23 - 4345/1.8=3, 4345=3...(9) QD2 LEU 86 - HD2 LYS 39 OK 18 52 - 34 - 5206/3.0=4, 5111/3.5=4...(18) QG1 VAL 41 - HG2 ARG 71 OK 17 78 - 22 - 5056/5.0=9, 5835/5.0=5...(4) QG1 VAL 41 - HD2 LYS 39 OK 17 47 - 36 - ~5208=5, 4334/5.0=4...(14) QD2 LEU 86 - HD3 LYS 39 OK 17 50 - 34 - 5206/3.0=4, 5111/3.5=4...(17) QD2 LEU 64 - HD2 LYS 39 OK 17 32 - 53 - 5206/3.0=7, 5111/3.5=7...(17) QG1 VAL 41 - HD3 LYS 39 OK 16 45 - 36 - ~5208=5, 4334/5.0=4...(14) QD2 LEU 64 - HD3 LYS 39 OK 16 31 - 53 - 5206/3.0=7, 5111/3.5=7...(17) QD2 LEU 86 - HD3 LYS 73 OK 13 89 - 15 - ~5255=2, 4.8/860=1...(4) QD2 LEU 86 - HD2 LYS 73 OK 13 89 - 15 - ~5255=2, 4.8/860=1...(4) QG2 ILE 68 - HD2 LYS 39 OK 13 63 - 20 - ~4759=4, 4763/5.0=3...(8) QG2 ILE 68 - HD3 LYS 39 OK 12 60 - 20 - ~4759=4, 4763/5.0=3...(8) QD2 LEU 86 - HG2 ARG 71 OK 12 84 - 14 - 5835/5.0=2 QD1 ILE 89 - HG2 ARG 71 OK 11 97 - 12 - 5056/5.0=2, 5835/5.0=2 QD1 ILE 89 - HD2 LYS 39 OK 11 64 - 17 - 5274/3.0=4, 6150/1.8=3...(6) QD1 ILE 89 - HD3 LYS 39 OK 11 62 - 17 - 5274/3.0=4, 6150/1.8=3...(6) QD2 LEU 29 - HD3 LYS 73 OK 10 60 - 17 - ~5255=2, 5262/3.5=1...(5) QD2 LEU 29 - HD2 LYS 73 OK 10 60 - 17 - ~5255=2, 5262/3.5=1...(5) QD2 LEU 86 - HD3 LYS 32 poor 10 88 - 11 - QD2 LEU 86 - HD2 LYS 32 poor 10 89 - 11 - QD1 LEU 43 - HD3 LYS 73 lone 9 93 - 9 - QD1 LEU 43 - HD2 LYS 73 lone 9 93 - 9 - QD1 LEU 43 - HG2 ARG 71 lone 9 89 - 10 - 5835/5.0=2 QG2 ILE 68 - HD3 LYS 32 lone 8 99 - 8 - QG2 ILE 68 - HD2 LYS 32 lone 8 99 - 8 - QD2 LEU 64 - HG2 ARG 71 poor 7 56 - 13 - ~5022=2, 5028/2.8=1, 5028/2.8=1 QD2 LEU 29 - HG2 ARG 71 poor 7 56 - 13 - 5349/3.8=2 QD2 LEU 64 - HD3 LYS 32 poor 7 60 - 12 - 5014/6.1=2, 5162/3.0=2 QD2 LEU 64 - HD2 LYS 32 poor 7 60 - 12 - 5014/6.1=2, 5162/3.0=2 QD2 LEU 29 - HD2 LYS 32 poor 7 60 - 11 - 4839/3.0=2, 1511/6.1=1 QD2 LEU 29 - HD3 LYS 32 poor 7 60 - 11 - 4839/3.0=2, 1511/6.1=1 QD2 LEU 29 - HD2 LYS 39 poor 6 32 - 17 - 5206/3.0=2, 5111/3.5=2, ~5119=1 QD1 LEU 43 - HD3 LYS 32 lone 5 93 - 6 - QD1 ILE 89 - HD3 LYS 32 lone 5 100 - 5 - QD1 ILE 89 - HD2 LYS 32 lone 5 100 - 5 - QD1 LEU 43 - HD2 LYS 32 lone 5 93 - 6 - QD2 LEU 29 - HD3 LYS 39 poor 5 31 - 17 - 5206/3.0=2, 5111/3.5=2, ~5119=1 QG2 ILE 89 - HD2 LYS 39 poor 5 37 - 13 - ~5274=2, 5206/3.0=2...(5) QG2 ILE 89 - HD3 LYS 39 poor 5 36 - 13 - ~5274=2, 5206/3.0=2...(5) QG2 ILE 89 - HG2 ARG 71 lone 4 64 - 7 - QD2 LEU 64 - HD3 LYS 73 lone 3 60 - 6 - QD2 LEU 64 - HD2 LYS 73 lone 3 60 - 6 - QG2 ILE 89 - HD2 LYS 32 lone 3 68 - 5 - QG2 ILE 89 - HD3 LYS 32 lone 3 68 - 5 - Peak 5172 from cnoeabs.peaks (0.16, 3.63, 64.52 ppm; 5.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5173 from cnoeabs.peaks (0.17, 1.03, 14.28 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.75: QD2 LEU 51 + QD1 ILE 40 OK 75 83 - 91 - 4301/3.0=39, 5947/2.1=28...(24) Peak 5174 from cnoeabs.peaks (0.22, 0.93, 18.83 ppm; 5.90 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5175 from cnoeabs.peaks (0.61, 0.93, 18.83 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 51 + QG2 ILE 40 OK 87 92 - 95 - 2.1/4301=50, ~5173=36...(17) Peak 5177 from cnoeabs.peaks (1.01, 0.62, 23.89 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.70: QD1 ILE 40 + QD1 LEU 51 OK 55 71 - 78 - 5173/2.1=22, ~4301=21...(15) QD1 LEU 57 + QD1 LEU 51 OK 32 97 - 33 - 4577/4580=6, 4986/3.1=4...(11) QG1 VAL 45 - QD1 LEU 51 poor 9 83 - 11 - 5656/5686=3, 5730/4946=2...(4) Peak 5178 from cnoeabs.peaks (1.88, 0.19, 24.73 ppm; 5.17 A): 3 out of 16 assignments used, quality = 0.93: HB2 LYS 39 + QD2 LEU 51 OK 73 81 - 91 - 2.9/6087=32, 5204=30...(30) HG12 ILE 40 + QD2 LEU 51 OK 54 60 - 90 - 2.1/5173=33, 3.2/4301=32...(14) HB3 PRO 34 + QD2 LEU 51 OK 40 100 - 41 - 5291/4648=6, 4560/4568=6...(9) HB ILE 68 - QD2 LEU 51 OK 23 81 - 29 - 5246/5173=6, 2.1/4520=3...(10) HB3 PRO 14 - QD2 LEU 51 OK 21 97 - 21 - 3.0/5680=4, 2.3/5641=4 HB2 ARG 66 - QD2 LEU 51 lone 10 100 - 10 - 4573/4584=2, 4560/4568=1 HB2 ARG 26 - QD2 LEU 51 lone 6 100 - 6 - HB3 ARG 26 - QD2 LEU 51 lone 6 100 - 6 - HB2 MET 11 - QD2 LEU 51 lone 6 98 - 6 - HB3 ARG 71 - QD2 LEU 51 lone 5 78 - 6 - HB2 ARG 71 - QD2 LEU 51 lone 5 76 - 6 - HB3 ARG 27 - QD2 LEU 51 lone 3 78 - 4 - HB2 ARG 27 - QD2 LEU 51 lone 3 76 - 4 - HB3 ARG 23 - QD2 LEU 51 lone 3 63 - 5 - HB2 ARG 23 - QD2 LEU 51 lone 3 60 - 5 - HB2 GLN 91 - QD2 LEU 51 lone 3 81 - 3 - Peak 5186 from cnoeabs.peaks (0.80, 4.09, 58.48 ppm; 4.91 A): 11 out of 16 assignments used, quality = 0.93: QG2 ILE 68 + HA ARG 71 OK 56 84 - 67 - ~15389=19, ~5389=19...(15) QD1 ILE 68 + HA ARG 71 OK 30 81 - 37 - 5056/3.6=8, ~5835=6...(8) QG1 VAL 41 + HA ARG 71 OK 27 93 - 29 - 5056/3.6=12, 5835/2.9=6...(6) QD1 ILE 89 + HA ARG 27 OK 18 46 - 39 - ~5521=6, ~5519=6...(13) QD1 ILE 68 + HA ARG 27 OK 18 46 - 39 - 4758/5.0=18, 5909/3.6=10...(6) QD1 ILE 68 + HA GLU 25 OK 18 92 - 19 - 5377/2.9=7, 4284/5105=4...(5) QG2 ILE 68 + HA GLU 25 OK 15 95 - 16 - 4754/5105=7, ~5377=5, ~4833=1 QD1 ILE 68 + HA ARG 26 OK 12 67 - 17 - 5377/3.6=5, 4758/4181=2...(5) QG2 ILE 68 + HA ARG 27 OK 11 48 - 23 - 5909/3.6=7, ~5377=3...(6) QD1 ILE 89 + HA ARG 71 OK 11 81 - 13 - 5056/3.6=3, 5835/2.9=3...(4) QD1 ILE 89 + HA GLU 25 OK 11 92 - 12 - 2.1/4162=2, 3.1/4163=2...(4) QG2 ILE 68 - HA ARG 26 poor 10 70 - 14 - 4754/5105=2 QD1 ILE 89 - HA ARG 26 lone 6 67 - 9 - 3.1/4163=2, ~5998=1, 2.1/4162=1 QG1 VAL 41 - HA GLU 25 lone 6 100 - 6 - 4284/5105=1 QG1 VAL 41 - HA ARG 27 poor 6 56 - 10 - 5909/3.6=3, 5302/5.0=3 QG1 VAL 41 - HA ARG 26 lone 5 79 - 6 - Peak 5187 from cnoeabs.peaks (4.48, 1.85, 30.20 ppm; 3.98 A): 5 out of 40 assignments used, quality = 0.94: HA ASP 24 + HB3 ARG 27 OK 58 100 - 58 - 5383/4.1=16, 4157=10...(20) HA ASP 24 + HB2 ARG 27 OK 58 100 - 58 - 5383/4.1=16, 4157=10...(20) HA ASP 67 + HB2 ARG 66 OK 30 58 - 52 - 5814/4.0=9, 3.0/278=7...(17) HA ASP 24 + HB3 ARG 23 OK 29 83 - 35 - 3.0/45=9, ~44=6, ~45=6...(11) HA ASP 24 + HB2 ARG 23 OK 29 82 - 35 - 3.0/45=9, ~44=6, ~45=6...(11) HA ASP 24 - HB2 ARG 26 OK 22 56 - 39 - 5383/4.6=14, 4169/3.9=12...(9) HA ASP 24 - HB3 ARG 26 OK 21 54 - 39 - 5383/4.6=14, 4169/3.9=12...(9) HA ASP 67 - HB3 ARG 71 OK 18 99 - 19 - 5838/4.0=9, ~5808=3...(5) HA ASP 67 - HB2 ARG 71 OK 18 98 - 19 - 5838/4.0=9, ~5808=3...(5) HA ASP 24 - HB3 ARG 71 OK 17 100 - 17 - 5838/4.0=4, 4157=3...(5) HA ASP 24 - HB2 ARG 71 OK 17 100 - 16 - 5838/4.0=4, 4157=3...(5) HA ASP 67 - HB3 ARG 27 lone 10 99 - 10 - 5383/4.1=3, 6057/4.3=2 HA ASP 67 - HB2 ARG 27 lone 10 99 - 10 - 5383/4.1=3, 6057/4.3=2 HA ASP 67 - HB2 ARG 26 poor 8 54 - 16 - 4169/3.9=3, 5383/4.6=2...(7) HA ASP 67 - HB3 ARG 26 poor 8 51 - 16 - 4169/3.9=3, 5383/4.6=2...(7) HA ASP 46 - HB3 ARG 27 lone 5 99 - 5 - 5383/4.1=2 HA ASP 46 - HB2 ARG 27 lone 5 99 - 5 - 5383/4.1=2 HA ASP 46 - HB3 ARG 23 lone 5 79 - 6 - 516/4.2=5 HA ASP 46 - HB2 ARG 23 lone 5 79 - 6 - 516/4.2=5 HA ASP 24 - HB2 ARG 66 lone 4 60 - 7 - 4157=1, 748/4.6=1 HA ASP 46 - HB3 ARG 71 lone 4 99 - 4 - 5838/4.0=2 HA ASP 46 - HB2 ARG 71 lone 4 98 - 4 - 5838/4.0=2 HA ASP 46 - HB2 ARG 66 lone 4 58 - 7 - 748/4.6=3, 5814/4.0=1 HA ASP 46 - HB3 PRO 34 lone 4 46 - 8 - ~1733=1, ~1705=1, ~1726=1 HA ASP 67 - HB3 ARG 23 lone 3 79 - 4 - 516/4.2=1 HA ASP 67 - HB2 ARG 23 lone 3 79 - 4 - 516/4.2=1 HA ASP 46 - HB2 ARG 26 lone 3 54 - 6 - 4169/3.9=2, 5383/4.6=2 HA ASP 46 - HB3 ARG 26 lone 3 51 - 6 - 4169/3.9=2, 5383/4.6=2 HA TYR 81 - HB3 ARG 23 lone 2 52 - 4 - 3729/4.0=1 HA TYR 81 - HB2 ARG 23 lone 2 51 - 4 - 3729/4.0=1 HA TYR 81 - HB3 PRO 34 lone 2 28 - 6 - ~5470=2, ~6123=1, 6058/1.8=1 HA TYR 81 - HB3 ARG 27 lone 2 71 - 2 - HA TYR 81 - HB2 ARG 27 lone 2 71 - 2 - HA TYR 81 - HB3 ARG 71 lone 2 71 - 2 - 5838/4.0=1 HA TYR 81 - HB2 ARG 71 lone 2 71 - 2 - 5838/4.0=1 HA ASP 67 - HB3 PRO 34 lone 1 46 - 3 - HA ASP 24 - HB3 PRO 34 lone 1 48 - 2 - HA TYR 81 - HB2 ARG 66 lone 1 36 - 2 - HA TYR 81 - HB2 ARG 26 lone 1 33 - 2 - HA TYR 81 - HB3 ARG 26 lone 1 32 - 2 - Peak 5188 from cnoeabs.peaks (7.89, 4.16, 56.71 ppm; 4.61 A): 2 out of 3 assignments used, quality = 0.56: H ILE 33 + HA LEU 29 OK 49 92 - 54 - 5303/4.9=22, 5179=19...(10) H ILE 33 + HA LYS 73 OK 13 79 - 16 - 5179=5, 4.6/4205=3...(4) H ILE 33 - HA ARG 84 lone 2 54 - 5 - Peak 5189 from cnoeabs.peaks (2.00, 4.42, 55.00 ppm; 4.05 A): 4 out of 10 assignments used, quality = 0.88: QE MET 31 + HA MET 31 OK 76 99 - 77 - 5.4=42, 3.3/1549=18...(11) HG LEU 43 + HA MET 31 OK 28 99 - 29 - 5191/4.2=6, 5190/4.2=5...(9) HB2 LEU 64 + HA MET 31 OK 19 73 - 26 - 5190/4.2=5, ~6121=4...(9) HG2 ARG 66 + HA MET 31 OK 15 92 - 16 - 2.8/1526=3, 3927/3.6=2...(8) HB3 GLN 79 - HA MET 31 lone 4 100 - 4 - 4.0/6117=1 HB3 MET 11 - HA MET 31 lone 2 97 - 2 - HG2 PRO 14 - HA MET 31 lone 2 97 - 2 - HG3 PRO 14 - HA MET 31 lone 2 97 - 2 - HB2 GLN 79 - HA MET 31 lone 1 60 - 2 - 4.0/6117=1 HB VAL 90 - HA MET 31 lone 1 76 - 2 - Peak 5190 from cnoeabs.peaks (2.00, 2.63, 32.57 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: QE MET 31 + HG2 MET 31 OK 99 99 - 100 - 3.3=100 HG LEU 43 + HG2 MET 31 OK 48 99 - 48 - 2.1/4198=8, 5191/1.8=8...(19) HB2 LEU 64 - HG2 MET 31 OK 40 73 - 54 - 3.1/5021=12, 3.1/5310=7...(20) HG2 ARG 66 - HG2 MET 31 OK 17 92 - 18 - 2.8/1544=3, 5191/1.8=3...(7) HG2 PRO 14 - HG2 MET 31 lone 5 97 - 5 - HG3 PRO 14 - HG2 MET 31 lone 5 97 - 5 - HB3 GLN 79 - HG2 MET 31 lone 3 100 - 3 - HB3 MET 11 - HG2 MET 31 lone 2 97 - 2 - HB2 GLN 79 - HG2 MET 31 lone 1 60 - 2 - HB VAL 90 - HG2 MET 31 lone 1 76 - 1 - Peak 5191 from cnoeabs.peaks (2.00, 2.52, 32.57 ppm; 3.80 A): 2 out of 11 assignments used, quality = 0.98: QE MET 31 + HG3 MET 31 OK 97 97 - 100 - 3.3=100 HG LEU 43 + HG3 MET 31 OK 51 96 - 54 - 2.1/4200=9, 5190/1.8=9...(20) HB2 LEU 64 - HG3 MET 31 OK 35 60 - 58 - 3.1/5311=10, ~5021=9...(20) HG2 ARG 66 - HG3 MET 31 OK 20 97 - 20 - 2.8/1550=4, 5190/1.8=3...(9) HG3 PRO 14 - HG3 MET 31 lone 5 90 - 5 - HG2 PRO 14 - HG3 MET 31 lone 5 90 - 5 - HB3 GLN 79 - HG3 MET 31 lone 3 99 - 3 - HB3 MET 11 - HG3 MET 31 lone 2 99 - 2 - HB VAL 90 - HG3 MET 31 lone 1 87 - 1 - HD2 ARG 69 - HG3 MET 31 lone 1 57 - 1 - HD3 ARG 69 - HG3 MET 31 lone 1 57 - 1 - Peak 5195 from cnoeabs.peaks (1.33, 0.31, 17.04 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.97: QB ALA 28 + QG2 ILE 33 OK 85 100 - 85 - 4179=35, 5303/4.1=24...(21) HB2 LEU 52 + QG2 ILE 33 OK 63 100 - 63 - 3.0/5197=13, 4219/2.1=9...(30) HB2 LEU 51 + QG2 ILE 33 OK 52 93 - 56 - 4219/2.1=8, 3.0/1659=7...(23) HG3 LYS 32 - QG2 ILE 33 OK 32 99 - 32 - 100/4.1=7, 4219/2.1=5...(10) HG2 ARG 54 - QG2 ILE 33 OK 16 60 - 26 - 4219/2.1=4, 4570/3.2=3...(11) QG2 THR 58 - QG2 ILE 33 poor 9 76 - 12 - 5755/5549=3, 5196/3.2=3...(5) QB ALA 16 - QG2 ILE 33 lone 5 73 - 6 - 2.1/5557=3 QB ALA 12 - QG2 ILE 33 lone 3 100 - 3 - Peak 5196 from cnoeabs.peaks (1.33, 0.71, 10.77 ppm; 3.70 A): 4 out of 8 assignments used, quality = 0.94: QB ALA 28 + QD1 ILE 33 OK 73 100 - 73 - 4179/3.2=23, 4178=19...(16) HB2 LEU 52 + QD1 ILE 33 OK 51 100 - 51 - 3.9/4210=6, 4219/3.2=6...(26) HB2 LEU 51 + QD1 ILE 33 OK 37 93 - 40 - 3.0/1680=6, 4219/3.2=5...(13) HG3 LYS 32 + QD1 ILE 33 OK 26 99 - 26 - 100/4.8=4, 4219/3.2=3...(10) QG2 THR 58 - QD1 ILE 33 OK 16 76 - 21 - 4.0/230=9, 5755/4669=2...(7) HG2 ARG 54 - QD1 ILE 33 OK 11 60 - 19 - 4.8/5550=3, 4219/3.2=2...(7) QB ALA 16 - QD1 ILE 33 lone 4 73 - 5 - 3.6/4211=1, ~5557=1 QB ALA 12 - QD1 ILE 33 lone 2 100 - 2 - Peak 5197 from cnoeabs.peaks (1.18, 0.31, 17.04 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.62: QG2 THR 37 + QG2 ILE 33 OK 49 100 - 49 - 4285=26, 3.2/5597=11...(9) HG LEU 52 + QG2 ILE 33 OK 25 83 - 30 - 3.0/5195=4, ~4219=3...(14) QG2 THR 15 - QG2 ILE 33 lone 2 90 - 2 - QG2 THR 88 - QG2 ILE 33 lone 0 60 - 1 - Peak 5198 from cnoeabs.peaks (6.95, 3.54, 50.48 ppm; 5.54 A): 3 out of 8 assignments used, quality = 1.00: QE PHE 35 + HD3 PRO 34 OK 99 100 - 99 - 4583/4.1=41, ~4243=35...(30) HZ PHE 35 + HD3 PRO 34 OK 91 100 - 91 - 4596/4.1=24, 3.8/4598=23...(22) HZ PHE 48 + HD3 PRO 34 OK 51 100 - 51 - 4596/4.1=11, ~4611=10...(14) QE PHE 35 - HD3 PRO 36 OK 38 45 - 85 - ~5578=34, 2.2/4598=22...(17) HZ PHE 35 - HD3 PRO 36 OK 27 45 - 59 - 3.8/4598=18, 5.8/4257=13...(12) HD22 ASN 42 - HD3 PRO 34 OK 17 97 - 18 - 5199/1.8=3, 4245/2.3=3...(8) HZ PHE 48 - HD3 PRO 36 poor 10 45 - 21 - 581/4.8=5, 4534/4598=3...(9) HD22 ASN 42 - HD3 PRO 36 poor 5 42 - 12 - 5.7/145=2, 581/4.8=2 Peak 5199 from cnoeabs.peaks (6.95, 2.72, 50.48 ppm; 5.19 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HD2 PRO 34 OK 99 100 - 99 - 4583/4.1=38, 2.2/5552=34...(27) HZ PHE 35 + HD2 PRO 34 OK 86 100 - 86 - 3.8/5552=27, 4596/4.1=22...(18) HZ PHE 48 + HD2 PRO 34 OK 47 100 - 47 - 4596/4.1=10, ~4611=9...(13) HD22 ASN 42 - HD2 PRO 34 OK 15 97 - 15 - 4245/2.3=2, 4244/2.3=2...(7) Peak 5202 from cnoeabs.peaks (2.77, 4.25, 57.41 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.76: HB3 ASN 42 + HA LYS 39 OK 52 97 - 54 - 4.1/5790=19, 3.5/6082=12...(8) HB2 ASN 42 + HA LYS 39 OK 51 96 - 53 - 4.1/5790=19, 3.5/6082=12...(8) HB3 ASN 74 - HA LYS 39 poor 10 96 - 10 - 4.6/802=3, 3.5/6082=3 HB3 ASN 80 - HA LYS 39 lone 5 95 - 5 - Peak 5203 from cnoeabs.peaks (0.61, 1.85, 32.41 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.86: QD1 LEU 51 + HB2 LYS 39 OK 79 89 - 90 - 2.1/5204=35, ~6087=28...(31) QD1 LEU 51 + HB2 LYS 75 OK 31 72 - 43 - 2.1/5204=12, ~5205=7...(14) Peak 5204 from cnoeabs.peaks (0.20, 1.85, 32.41 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 51 + HB2 LYS 39 OK 82 98 - 84 - 6087/2.9=24, 2.1/5203=21...(28) QD2 LEU 51 + HB2 LYS 75 OK 28 83 - 33 - 2.1/5203=8, 5205/1.8=7...(10) Peak 5205 from cnoeabs.peaks (0.19, 1.78, 32.41 ppm; 4.85 A): 4 out of 6 assignments used, quality = 0.93: QD2 LEU 51 + HB3 LYS 39 OK 85 100 - 85 - 6087/2.9=28, 5204/1.8=25...(27) QD2 LEU 51 + HB3 LYS 75 OK 33 92 - 35 - 5204/1.8=9, ~5203=6...(11) QD2 LEU 51 + HB3 LYS 73 OK 25 99 - 25 - ~5255=3, 4515=2, ~6094=2...(8) QD2 LEU 51 + HB2 LYS 13 OK 14 98 - 14 - 5680/4.8=3, 4917/5109=2, 4515=1 QD2 LEU 51 - HB2 LYS 85 lone 4 74 - 6 - QD2 LEU 51 - HB2 LYS 83 lone 4 93 - 4 - Peak 5206 from cnoeabs.peaks (0.84, 1.40, 25.35 ppm; 4.79 A): 7 out of 7 assignments used, quality = 0.95: QD2 LEU 64 + HG3 LYS 39 OK 69 99 - 70 - 2.1/4896=10, 2644/1.8=9...(25) QD1 LEU 43 + HG3 LYS 39 OK 41 99 - 41 - 2.1/4896=7, 5357/4.1=6...(12) QD2 LEU 86 + HG3 LYS 39 OK 40 100 - 40 - 5111/2.9=5, ~5119=4...(17) QD2 LEU 29 + HG3 LYS 39 OK 19 99 - 19 - 5111/2.9=2, ~5119=1...(4) QG2 ILE 68 + HG3 LYS 39 OK 17 63 - 28 - ~4759=5, 5111/2.9=3...(10) QG2 ILE 89 + HG3 LYS 39 OK 17 100 - 17 - 3.1/5274=4, 5111/2.9=2, ~6150=1 QD1 ILE 89 + HG3 LYS 39 OK 11 68 - 16 - 5274=3, 6150/1.8=2...(5) Peak 5207 from cnoeabs.peaks (3.57, 1.40, 25.35 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.95: HD3 PRO 36 + HG3 LYS 39 OK 91 100 - 91 - 5208/1.8=33, 2.3/4894=17...(25) HA VAL 41 + HG3 LYS 39 OK 45 96 - 47 - 5208/1.8=14, 3.2/4896=7...(16) HD3 PRO 34 - HG3 LYS 39 OK 36 68 - 54 - 3.0/1874=5, ~1864=4...(27) Peak 5208 from cnoeabs.peaks (3.57, 1.55, 25.35 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.93: HD3 PRO 36 + HG2 LYS 39 OK 89 100 - 89 - 5207/1.8=17, 2.3/4893=16...(29) HA VAL 41 + HG2 LYS 39 OK 37 99 - 37 - 5207/1.8=9, ~4896=5...(11) Peak 5209 from cnoeabs.peaks (3.55, 1.58, 28.78 ppm; 5.65 A): 3 out of 10 assignments used, quality = 0.95: HD3 PRO 36 + HD3 LYS 39 OK 72 83 - 87 - 3.8/5944=15, 5208/3.0=13...(29) HD3 PRO 36 + HD2 LYS 39 OK 72 83 - 87 - 3.8/5944=15, 5208/3.0=13...(29) HD3 PRO 34 + HD3 LYS 39 OK 42 99 - 42 - 5207/3.0=5, 4598/5942=4...(18) HD3 PRO 34 - HD2 LYS 39 OK 41 99 - 42 - 5207/3.0=5, 4598/5942=4...(18) HD3 PRO 34 - HD2 LYS 32 OK 31 61 - 51 - 1713/3.5=5, 1713/3.5=5...(20) HD3 PRO 34 - HD2 LYS 73 poor 7 61 - 11 - ~4863=1, ~5567=1 HD3 PRO 34 - HD3 LYS 73 poor 7 61 - 11 - ~4863=1, ~5567=1 HD3 PRO 36 - HD3 LYS 73 lone 4 45 - 9 - ~4876=1 HD3 PRO 36 - HD2 LYS 73 lone 4 45 - 9 - ~4876=1 HD3 PRO 36 - HD2 LYS 32 lone 4 45 - 9 - 3.8/5944=2 Peak 5210 from cnoeabs.peaks (3.56, 0.93, 18.83 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.88: HA VAL 41 + QG2 ILE 40 OK 63 78 - 80 - 3.0/3816=13, ~139=9...(38) HD3 PRO 34 + QG2 ILE 40 OK 49 90 - 55 - 2.3/1942=14, ~1935=8...(13) HD3 PRO 36 + QG2 ILE 40 OK 37 97 - 38 - 3.0/1938=7, 609/4.4=5...(13) Peak 5212 from cnoeabs.peaks (4.25, 0.93, 18.83 ppm; 5.35 A): 4 out of 11 assignments used, quality = 0.97: HA LYS 39 + QG2 ILE 40 OK 69 100 - 70 - 3.6/1936=27, 6082/4.4=16...(18) HB THR 37 + QG2 ILE 40 OK 69 78 - 88 - 4282/3.0=24, ~4279=17...(19) HA LEU 64 + QG2 ILE 40 OK 44 92 - 48 - 3.6/270=5, 6135/5616=5...(22) HA LYS 75 + QG2 ILE 40 OK 40 100 - 40 - 3.0/4303=5, 128/4.0=4...(14) HA GLU 19 - QG2 ILE 40 OK 14 96 - 15 - 3.6/5616=3, 4332/4.4=1, ~493=1 HA LYS 85 - QG2 ILE 40 OK 13 90 - 14 - 3.0/4303=2, 4315/2.1=1 HA ALA 20 - QG2 ILE 40 OK 13 90 - 14 - 3.0/5616=3, ~5622=2, 4332/4.4=1 HA THR 15 - QG2 ILE 40 OK 11 100 - 11 - 4.9/1940=2, 4315/2.1=1 HA LYS 83 - QG2 ILE 40 OK 11 100 - 11 - 128/4.0=1 HA ALA 77 - QG2 ILE 40 OK 10 96 - 11 - 3.0/351=2, 3.6/5861=1...(5) HA ALA 12 - QG2 ILE 40 lone 4 95 - 4 - Peak 5213 from cnoeabs.peaks (1.57, 0.94, 22.80 ppm; 4.13 A): 6 out of 14 assignments used, quality = 0.95: HG LEU 64 + QD2 LEU 43 OK 47 60 - 79 - 2.1/2646=13, 3.0/2632=10...(32) HG LEU 62 + QD2 LEU 43 OK 43 100 - 44 - 3.0/2576=5, 5948/2.1=3...(24) HB3 LEU 29 + QD2 LEU 43 OK 43 97 - 44 - 1.8/2039=6, ~2032=4...(19) HB3 LEU 62 + QD2 LEU 43 OK 37 85 - 44 - 1.8/2576=6, 3.0/2569=4...(20) HD3 LYS 39 + QD2 LEU 43 OK 32 95 - 34 - 3.0/4909=5, 3.0/4909=5...(12) HD2 LYS 39 + QD2 LEU 43 OK 32 93 - 34 - 3.0/4909=5, 3.0/4909=5...(12) HG2 LYS 39 - QD2 LEU 43 OK 29 81 - 37 - 6087/4916=6, 1.8/4896=5...(11) HB3 LEU 86 - QD2 LEU 43 OK 19 99 - 19 - 3.1/2042=2, 5948/2.1=2...(6) HB3 ARG 54 - QD2 LEU 43 OK 15 81 - 19 - 4.1/2037=4, 3.0/4387=3...(6) HG3 ARG 54 - QD2 LEU 43 OK 15 99 - 15 - 4.9/2037=3, 3.7/4387=3...(4) HG LEU 86 - QD2 LEU 43 OK 11 60 - 18 - 2.1/2042=2, 5214/2.1=1...(4) HG3 ARG 84 - QD2 LEU 43 lone 7 73 - 9 - 3.0/2039=1 HG2 ARG 84 - QD2 LEU 43 lone 7 73 - 9 - 3.0/2039=1 HG3 ARG 23 - QD2 LEU 43 lone 3 63 - 4 - Peak 5214 from cnoeabs.peaks (1.59, 0.83, 26.57 ppm; 3.05 A): 7 out of 21 assignments used, quality = 0.84: HB3 LEU 51 + QD1 LEU 43 OK 39 99 - 40 - 3.1/4917=19, ~4916=8...(8) HB3 LEU 29 + QD1 LEU 43 OK 26 96 - 27 - 1.8/2032=4, 3.0/1503=2...(12) HB3 LEU 62 + QD1 LEU 43 OK 26 100 - 26 - 1.8/2032=3, 3.1/2036=2...(9) HD2 LYS 39 + QD1 LEU 43 OK 20 98 - 21 - 3.0/5206=2, 3.5/5111=2...(10) HD3 LYS 39 + QD1 LEU 43 OK 20 97 - 21 - 3.0/5206=2, 3.5/5111=2...(10) HG LEU 62 + QD1 LEU 43 OK 15 68 - 22 - 2.1/2036=3, 3.0/2032=2...(10) HG LEU 86 + QD1 LEU 43 OK 12 99 - 12 - HB2 LEU 86 - QD1 LEU 43 poor 9 78 - 11 - 3.0/3519=1 HG3 ARG 54 - QD1 LEU 43 lone 7 90 - 8 - 4.9/2030=2, 3.7/5295=2 HB3 LEU 86 - QD1 LEU 43 poor 7 60 - 11 - 1.8/3526=1, 3.0/3519=1 HG2 ARG 84 - QD1 LEU 43 lone 5 100 - 5 - HG3 ARG 84 - QD1 LEU 43 lone 5 100 - 5 - HG3 ARG 70 - QD1 LEU 43 lone 4 83 - 5 - HD2 LYS 73 - QD1 LEU 43 lone 3 87 - 3 - HD3 LYS 73 - QD1 LEU 43 lone 3 87 - 3 - HG2 ARG 71 - QD1 LEU 43 lone 2 65 - 3 - HD2 LYS 32 - QD1 LEU 43 lone 2 87 - 2 - HD3 LYS 32 - QD1 LEU 43 lone 2 83 - 2 - HG2 ARG 26 - QD1 LEU 43 lone 2 60 - 3 - HG2 ARG 17 - QD1 LEU 43 lone 1 68 - 1 - HG3 ARG 17 - QD1 LEU 43 lone 1 65 - 1 - Peak 5215 from cnoeabs.peaks (0.97, 2.48, 32.30 ppm; 5.37 A): 1 out of 6 assignments used, quality = 0.94: QG1 VAL 45 + HB2 PRO 44 OK 94 97 - 97 - 5654/2.3=41, 4.0/156=32...(32) QD1 LEU 64 - HB2 PRO 44 OK 22 83 - 27 - ~4405=5, 5643/2.3=4...(8) QD1 LEU 57 - HB2 PRO 44 OK 16 81 - 20 - 630/4.2=7, ~5954=4...(4) QD1 LEU 57 - HB3 PRO 36 OK 12 39 - 31 - 5739/4.0=9, ~4605=8...(5) QG1 VAL 45 - HB3 PRO 36 OK 11 51 - 21 - 4.0/156=6, 5654/2059=5...(4) QD1 LEU 64 - HB3 PRO 36 lone 2 40 - 5 - Peak 5216 from cnoeabs.peaks (0.95, 2.09, 32.30 ppm; 4.46 A): 5 out of 10 assignments used, quality = 0.93: QD2 LEU 43 + HB3 PRO 44 OK 73 99 - 73 - 4388/3.0=23, 4387/3.0=15...(16) QG2 ILE 40 + HB3 PRO 44 OK 38 78 - 49 - 1938/2.3=6, 4.0/4393=5...(17) QD1 LEU 64 + HB3 MET 31 OK 31 46 - 66 - ~5021=12, 5310/3.0=12...(14) QD1 LEU 64 + HB3 PRO 44 OK 27 100 - 27 - 5642/2.3=4, 5643/2.3=4...(9) QD2 LEU 43 + HB3 MET 31 OK 23 45 - 51 - ~6121=8, 4389/3.0=8...(13) QG2 VAL 41 - HB3 PRO 44 OK 20 89 - 23 - 4349=3, 5642/2.3=3...(10) QD2 LEU 62 - HB3 PRO 44 OK 16 78 - 20 - 4679/3.0=4, 5642/2.3=3...(9) QG2 VAL 41 - HB3 MET 31 poor 9 36 - 26 - 3823/4.0=5, 1981/1.8=3...(10) QG2 ILE 40 - HB3 MET 31 lone 1 30 - 4 - 5073/4.3=1 QD2 LEU 62 - HB3 MET 31 lone 1 30 - 4 - 5073/4.3=1 Peak 5218 from cnoeabs.peaks (3.65, 7.07, 131.51 ppm; 5.87 A): 4 out of 5 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 91 93 - 98 - 5120/2.2=47, 4325=37...(18) HA VAL 65 + QD PHE 48 OK 71 91 - 78 - ~4718=36, ~4716=29...(16) HA ARG 69 + QD PHE 48 OK 55 87 - 63 - ~5979=27, 4.6/5823=14...(12) HD3 PRO 44 + QD PHE 48 OK 52 74 - 70 - 4.8/4921=21, 4.8/5639=19...(12) HD3 PRO 14 - QD PHE 48 poor 9 59 - 15 - 4703/4370=2, 4606/2.2=2...(8) Peak 5219 from cnoeabs.peaks (1.76, 3.89, 57.93 ppm; 4.10 A): 3 out of 17 assignments used, quality = 0.97: HB2 ARG 54 + HA LEU 51 OK 89 100 - 89 - 1.8/5220=21, 5144/4.0=15...(32) HB ILE 33 + HA LEU 51 OK 53 99 - 54 - 1652=9, 2.1/1659=8...(17) HG2 PRO 34 + HA LEU 51 OK 39 100 - 39 - 4862=7, 4246/5142=7...(10) HB3 LYS 32 - HA LEU 51 OK 35 95 - 37 - 4.3/571=4, 2.9/2211=4...(16) HB2 LYS 32 - HA LEU 51 OK 35 95 - 37 - 4.3/571=4, 2.9/2211=4...(16) HB2 LEU 62 - HA LEU 51 OK 32 93 - 35 - 3.1/2213=4, 1.8/2212=3...(14) HB3 LYS 39 - HA LEU 51 OK 32 78 - 41 - 2.9/5220=8, 5205/4.0=8...(17) HB2 PRO 34 - HA LEU 51 OK 30 85 - 36 - 2.3/4862=6, 3.0/4236=5...(11) HB2 LEU 57 - HA LEU 51 OK 24 99 - 24 - 3.1/4606=6, 4598/4.3=3...(8) HB3 LYS 73 - HA LEU 51 poor 10 89 - 11 - 5205/4.0=2 HB3 LYS 75 - HA LEU 51 lone 6 65 - 9 - 5205/4.0=3, 4517/4.0=1 HB3 ARG 82 - HA LEU 51 lone 5 100 - 5 - HB3 ARG 17 - HA LEU 51 lone 4 89 - 4 - HG3 ARG 71 - HA LEU 51 lone 3 98 - 3 - HG3 ARG 26 - HA LEU 51 lone 3 96 - 3 - HB2 LYS 13 - HA LEU 51 lone 3 60 - 4 - 5205/4.0=1 HB2 LYS 83 - HA LEU 51 lone 2 81 - 2 - Peak 5220 from cnoeabs.peaks (1.54, 3.89, 57.93 ppm; 3.92 A): 4 out of 6 assignments used, quality = 0.91: HB3 ARG 54 + HA LEU 51 OK 80 96 - 84 - 5145/4.0=16, 4569=13...(30) HG2 LYS 39 + HA LEU 51 OK 40 96 - 41 - 6087/4.0=14, 6093/4.0=6...(10) HB3 LEU 86 + HA LEU 51 OK 15 65 - 24 - 3.1/2213=4, 6093/4.0=3...(7) HG LEU 64 + HA LEU 51 OK 15 100 - 15 - 4.8/3856=4, 2633/3.6=3...(5) HG2 ARG 82 - HA LEU 51 lone 3 99 - 3 - HG3 ARG 23 - HA LEU 51 lone 2 100 - 2 - Peak 5221 from cnoeabs.peaks (0.94, 1.60, 41.26 ppm; 5.10 A): 3 out of 8 assignments used, quality = 0.98: QD2 LEU 43 + HB3 LEU 51 OK 79 100 - 79 - 4916/3.1=39, ~4917=30...(10) QG2 ILE 40 + HB3 LEU 51 OK 78 96 - 81 - 4301/3.1=36, 5175/3.1=21...(11) QD2 LEU 62 + HB3 LEU 51 OK 60 96 - 63 - 5004/1.8=11, 2.1/2227=7...(30) QD1 LEU 64 - HB3 LEU 51 OK 30 95 - 32 - 4.4/3858=8, 2647/4.6=7...(7) QG2 VAL 41 - HB3 LEU 51 OK 14 99 - 14 - 4.1/5677=6 HG12 ILE 68 - HB3 LEU 51 poor 10 81 - 12 - ~4758=3, ~5178=2, ~4520=1 QG2 VAL 76 - HB3 LEU 51 poor 8 81 - 10 - ~4949=1, ~4950=1, ~5679=1 QG1 VAL 76 - HB3 LEU 51 poor 8 81 - 10 - ~4949=1, ~4950=1, ~5679=1 Peak 5222 from cnoeabs.peaks (4.01, 0.89, 26.17 ppm; 5.67 A): 3 out of 5 assignments used, quality = 1.00: HA ARG 54 + HG LEU 51 OK 94 99 - 95 - ~5145=29, ~5144=23...(28) HA PHE 48 + HG LEU 51 OK 82 92 - 90 - 4470/2.1=43, 4469/2.1=39...(13) HB2 SER 22 + HG LEU 51 OK 60 100 - 60 - 1.8/2231=11, 4522/2.1=9...(14) HD2 PRO 44 - HG LEU 51 OK 23 73 - 31 - 4521/2.1=6, 5646/5.2=6...(8) HA ARG 70 - HG LEU 51 OK 14 96 - 15 - 4521/2.1=2, 4522/2.1=2...(4) Peak 5223 from cnoeabs.peaks (6.82, 0.89, 26.17 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 55 + HG LEU 51 OK 97 99 - 98 - 4647/2.1=41, 4648/2.1=37...(15) HE22 GLN 61 + HG LEU 51 OK 61 97 - 63 - 1.7/5684=12, 5763/4.3=10...(15) Peak 5225 from cnoeabs.peaks (2.81, 3.81, 57.23 ppm; 5.86 A): 2 out of 3 assignments used, quality = 0.88: HB2 TYR 55 + HA LEU 52 OK 86 100 - 87 - 2.5/6131=46, 3.8/4581=35...(10) HB2 ASN 74 + HA LEU 52 OK 15 99 - 15 - 2375/6131=4, 5748/4607=3...(5) HB3 ASN 74 - HA LEU 52 poor 8 73 - 11 - 5748/4607=3, 2375/6131=3 Peak 5227 from cnoeabs.peaks (3.78, 2.94, 40.22 ppm; 6.27 A): 2 out of 2 assignments used, quality = 0.73: HA LEU 52 + HB3 TYR 55 OK 58 76 - 76 - 6131/2.5=37, 5229/1.8=32...(7) HD2 PRO 14 + HB3 TYR 55 OK 36 100 - 36 - 5229/1.8=16, 4631/2.5=11...(5) Peak 5228 from cnoeabs.peaks (3.43, 2.94, 40.22 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5229 from cnoeabs.peaks (3.79, 2.80, 40.22 ppm; 5.54 A): 2 out of 2 assignments used, quality = 0.79: HA LEU 52 + HB2 TYR 55 OK 69 85 - 81 - 6131/2.5=37, 5225=28...(9) HD2 PRO 14 + HB2 TYR 55 OK 34 100 - 34 - 5227/1.8=13, 4631/2.5=11...(5) Peak 5230 from cnoeabs.peaks (2.60, 1.31, 21.61 ppm; 4.55 A): 2 out of 6 assignments used, quality = 0.84: HG2 GLN 61 + QG2 THR 58 OK 74 100 - 74 - 4652/4.0=20, 3.5/5755=19...(11) HG2 MET 31 + QG2 THR 58 OK 40 65 - 61 - 1.8/4627=16, 5090/4.0=9...(14) HB3 ASP 24 - QG2 THR 58 lone 5 97 - 6 - 1.8/4627=1 HB3 ASP 47 - QG2 THR 58 lone 3 99 - 3 - HB2 ASP 38 - QG2 THR 58 lone 3 76 - 4 - HB3 ASP 38 - QG2 THR 58 lone 3 73 - 4 - Peak 5232 from cnoeabs.peaks (1.99, 3.96, 59.26 ppm; 3.64 A): 5 out of 18 assignments used, quality = 0.88: QE MET 31 + HA GLN 61 OK 69 100 - 70 - 5079=16, 5083/3.0=10...(25) HB2 LEU 64 + HA GLN 61 OK 36 92 - 39 - 4.4/5758=5, 4.0/4941=5...(16) QE MET 31 + HA GLU 50 OK 21 96 - 22 - 5079=5, 3.3/2526=3...(9) HB2 LEU 64 + HA GLU 50 OK 13 86 - 15 - 4.0/4941=3, 4.4/5758=2...(6) HG LEU 43 + HA GLN 61 OK 11 100 - 11 - 4656/3.0=2, 2.1/4504=1 HG LEU 43 - HA GLU 50 lone 9 97 - 10 - 2023/3.6=4, 2.1/4504=1...(4) HG2 ARG 66 - HA GLN 61 lone 6 73 - 8 - 4.9/740=2, 1.8/2707=1, 2699=1 HB3 GLN 79 - HA GLN 61 lone 6 99 - 6 - 1.8/6011=1 HB2 GLN 79 - HA GLN 61 lone 5 83 - 6 - 6011=1 HB3 MET 11 - HA GLU 50 lone 5 76 - 6 - ~4506=1, 972/3.7=1 HG2 PRO 14 - HA GLN 61 lone 4 100 - 4 - HG3 PRO 14 - HA GLN 61 lone 4 100 - 4 - HB3 GLN 79 - HA GLU 50 lone 2 94 - 2 - HG2 ARG 66 - HA GLU 50 lone 2 67 - 3 - HG3 PRO 14 - HA GLU 50 lone 2 97 - 2 - HG2 PRO 14 - HA GLU 50 lone 2 97 - 2 - HB2 GLN 79 - HA GLU 50 lone 2 76 - 2 - HB3 MET 11 - HA GLN 61 lone 2 83 - 2 - Peak 5233 from cnoeabs.peaks (1.97, 2.60, 34.98 ppm; 5.16 A): 3 out of 11 assignments used, quality = 0.98: HG LEU 57 + HG2 GLN 61 OK 89 93 - 96 - 2.1/5955=23, 4.9/4652=22...(25) QE MET 31 + HG2 GLN 61 OK 72 81 - 89 - 5930/3.5=22, 3.3/2550=16...(25) HB2 LEU 64 + HG2 GLN 61 OK 48 100 - 49 - 3.1/5310=7, ~5311=7...(14) HG LEU 43 - HG2 GLN 61 OK 28 83 - 34 - 3.0/4381=8, 3.0/4380=7...(9) HB2 GLN 79 - HG2 GLN 61 OK 12 100 - 11 - 6011/4.0=2, 4.4/2554=2...(4) HB3 ARG 66 - HG2 GLN 61 poor 9 65 - 13 - 3.0/2549=2, ~5765=1...(6) HG3 PRO 14 - HG2 GLN 61 lone 7 90 - 8 - HG2 PRO 14 - HG2 GLN 61 lone 7 90 - 8 - HB3 ARG 70 - HG2 GLN 61 lone 6 93 - 6 - HB2 ARG 70 - HG2 GLN 61 lone 6 93 - 6 - HB3 GLN 79 - HG2 GLN 61 lone 6 68 - 9 - 4.4/2554=2, ~5234=1 Peak 5234 from cnoeabs.peaks (1.97, 2.16, 34.98 ppm; 5.53 A): 3 out of 11 assignments used, quality = 0.99: HG LEU 57 + HG3 GLN 61 OK 91 93 - 97 - ~5955=26, 4.9/5159=25...(24) QE MET 31 + HG3 GLN 61 OK 73 81 - 90 - 5930/3.5=24, 3.3/2558=17...(23) HB2 LEU 64 + HG3 GLN 61 OK 49 100 - 49 - ~5311=8, 5233/1.8=7...(14) HG LEU 43 - HG3 GLN 61 OK 27 83 - 32 - ~4381=7, ~5356=6...(9) HB2 GLN 79 - HG3 GLN 61 OK 13 100 - 12 - 6011/4.0=2, 5233/1.8=2...(4) HB3 ARG 66 - HG3 GLN 61 poor 10 65 - 15 - 3.0/2557=2, ~5765=1...(7) HG3 PRO 14 - HG3 GLN 61 lone 7 90 - 8 - 5233/1.8=1 HG2 PRO 14 - HG3 GLN 61 lone 7 90 - 8 - 5233/1.8=1 HB3 GLN 79 - HG3 GLN 61 lone 7 68 - 10 - 4.4/2562=2, ~5233=1 HB2 ARG 70 - HG3 GLN 61 lone 6 93 - 6 - HB3 ARG 70 - HG3 GLN 61 lone 6 93 - 6 - Peak 5236 from cnoeabs.peaks (0.46, 1.57, 26.98 ppm; 6.27 A): 3 out of 6 assignments used, quality = 0.94: QD1 LEU 52 + HG LEU 62 OK 86 92 - 94 - ~5237=46, 4680/2.1=43...(21) QD1 LEU 52 + HG LEU 64 OK 35 55 - 65 - ~4552=14, 2279/4.8=13...(13) QD1 LEU 52 + HG3 ARG 54 OK 31 78 - 39 - 5694/3.7=10, 205/5951=4...(14) QD1 LEU 52 - HG3 ARG 84 lone 2 33 - 7 - QD1 LEU 52 - HG2 ARG 84 lone 2 33 - 7 - QD1 LEU 52 - HG3 ARG 23 lone 2 36 - 6 - Peak 5237 from cnoeabs.peaks (0.51, 0.93, 24.73 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.81: QD2 LEU 52 + QD2 LEU 62 OK 81 100 - 81 - 2.1/4680=35, 4952/2.1=13...(22) Peak 5238 from cnoeabs.peaks (2.37, 1.57, 26.98 ppm; 5.55 A): 6 out of 24 assignments used, quality = 0.87: HB VAL 65 + HG LEU 62 OK 61 83 - 74 - 5001/2.1=22, 4998/4.3=20...(14) HB VAL 65 + HG LEU 64 OK 35 47 - 74 - 4698/4.8=17, 3.0/5032=13...(15) HG2 GLU 59 + HG LEU 62 OK 20 57 - 36 - 4.2/4638=9, 5001/2.1=9...(6) HG2 GLU 50 + HG LEU 62 OK 16 100 - 16 - 5001/2.1=6, 5239/2.1=4 HG3 MET 11 + HG LEU 62 OK 13 78 - 16 - 5001/2.1=5, 4998/4.3=5 HG2 GLU 50 + HG3 ARG 54 OK 10 90 - 12 - 4942/4.9=7, 4942/2331=1 HG2 GLU 50 - HG LEU 64 lone 6 65 - 9 - 4698/4.8=5 HB VAL 65 - HG3 ARG 54 lone 5 69 - 7 - ~4731=1, ~5032=1, 4998/2586=1 HG3 MET 11 - HG LEU 64 lone 4 44 - 10 - 4698/4.8=5, 2656/5032=1 HB VAL 65 - HG3 ARG 23 poor 3 31 - 11 - 3.8/268=3, 3.0/5032=2...(4) HG2 GLU 59 - HG3 ARG 54 lone 2 46 - 5 - 4.2/4638=1 HG2 GLU 59 - HG LEU 64 lone 2 31 - 6 - 4698/4.8=2 HG3 MET 11 - HG3 ARG 54 lone 2 65 - 3 - HG2 GLU 50 - HG3 ARG 23 lone 1 43 - 3 - HG2 GLU 50 - HG2 ARG 84 lone 1 40 - 3 - HG2 GLU 50 - HG3 ARG 84 lone 1 40 - 3 - HG3 MET 11 - HG3 ARG 23 lone 1 28 - 3 - HB VAL 65 - HG2 ARG 84 lone 1 28 - 3 - HB VAL 65 - HG3 ARG 84 lone 1 28 - 3 - HG3 MET 11 - HG2 ARG 84 lone 1 26 - 2 - HG3 MET 11 - HG3 ARG 84 lone 1 26 - 2 - HG2 GLU 59 - HG3 ARG 84 lone 0 18 - 3 - HG2 GLU 59 - HG2 ARG 84 lone 0 18 - 3 - HG2 GLU 59 - HG3 ARG 23 lone 0 19 - 2 - Peak 5239 from cnoeabs.peaks (2.37, 0.87, 24.45 ppm; 5.58 A): 7 out of 12 assignments used, quality = 0.93: HB VAL 65 + QD1 LEU 62 OK 72 90 - 80 - 4998/4.0=24, 5001/2.1=22...(15) HG2 GLU 59 + QD1 LEU 62 OK 35 68 - 52 - 4.2/4639=19, 4.9/4640=11...(7) HB VAL 65 + QD1 LEU 29 OK 21 88 - 24 - 3.0/5960=4, 4998/2570=3...(8) HG2 GLU 50 + QD1 LEU 62 OK 21 100 - 21 - 5001/2.1=6, 5238/2.1=3...(7) HG2 GLU 59 + QD1 LEU 29 OK 20 66 - 30 - 4.2/4639=9, 4642=6...(6) HG3 MET 11 + QD1 LEU 62 OK 16 87 - 19 - 4998/4.0=6, 5001/2.1=6 HB VAL 65 + QD1 LEU 86 OK 14 76 - 18 - 3.0/5960=3, 4998/2570=2...(7) HG2 GLU 50 - QD1 LEU 29 lone 9 99 - 9 - 4642=1 HG2 GLU 59 - QD1 LEU 86 poor 7 55 - 13 - 4.2/4639=4, 4642=2...(4) HG2 GLU 50 - QD1 LEU 86 lone 6 90 - 6 - HG3 MET 11 - QD1 LEU 29 lone 4 85 - 5 - HG3 MET 11 - QD1 LEU 86 lone 3 73 - 4 - Peak 5240 from cnoeabs.peaks (2.61, 4.26, 57.87 ppm; 6.50 A): 5 out of 6 assignments used, quality = 0.94: HG2 MET 31 + HA LEU 64 OK 70 92 - 76 - ~5082=22, 5021/3.9=17...(15) HB2 ASP 38 + HA LEU 64 OK 41 97 - 43 - 4.7/2612=7, 5310/3.9=6...(13) HB3 ASP 38 + HA LEU 64 OK 41 96 - 43 - 4.7/2612=7, 5310/3.9=6...(13) HG2 GLN 61 + HA LEU 64 OK 38 98 - 39 - 5310/3.9=9, 5233/3.0=7...(8) HB3 ASP 47 + HA LEU 64 OK 15 83 - 18 - 5310/3.9=5, 4449/3.9=3...(4) HB3 ASP 24 - HA LEU 64 poor 9 78 - 12 - 5310/3.9=2, 4160/6071=1 Peak 5242 from cnoeabs.peaks (0.78, 1.54, 27.08 ppm; 3.68 A): 4 out of 8 assignments used, quality = 0.67: QD1 ILE 68 + HG LEU 64 OK 43 100 - 44 - 4759=19, 5252/3.0=6...(9) QG1 VAL 41 + HG LEU 64 OK 20 87 - 23 - 6071/4.3=4, ~6102=3...(9) QD1 ILE 68 + HG3 ARG 23 OK 14 87 - 16 - 4759=7, 5251/1.8=2...(5) QD1 ILE 68 + HG LEU 62 OK 14 65 - 21 - 4759=8, 2781/2.1=2...(5) QD1 ILE 68 - HG2 ARG 82 lone 5 95 - 6 - 4759=2 QG1 VAL 41 - HG LEU 62 lone 4 51 - 9 - 1978/2.1=1 QG1 VAL 41 - HG2 ARG 82 lone 2 78 - 3 - QG1 VAL 41 - HG3 ARG 23 lone 2 71 - 2 - Peak 5244 from cnoeabs.peaks (4.00, 1.21, 23.08 ppm; 4.53 A): 4 out of 6 assignments used, quality = 0.84: HA ARG 66 + QG2 VAL 65 OK 63 85 - 74 - 3.0/275=16, ~3921=15...(19) HA ARG 70 + QG2 VAL 65 OK 38 99 - 38 - 2.9/4714=8, ~5829=6...(12) HA LYS 32 + QG2 VAL 65 OK 20 85 - 23 - 3.6/575=8, 3.0/4714=4...(7) HA ARG 54 + QG2 VAL 65 OK 13 96 - 13 - 5695/4726=4, 5694/5315=2...(4) HA VAL 76 - QG2 VAL 65 poor 8 63 - 13 - 3.0/4714=2, 740/4.1=2...(4) HB2 SER 22 - QG2 VAL 65 lone 5 92 - 5 - 5695/4726=1 Peak 5246 from cnoeabs.peaks (1.02, 1.90, 38.07 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.94: QD1 ILE 40 + HB ILE 68 OK 92 96 - 96 - 5249/2.1=35, 5247/3.2=21...(43) HG3 PRO 34 + HB ILE 68 OK 27 71 - 38 - 5249/2.1=9, 5247/3.2=6...(17) QD1 LEU 57 - HB ILE 68 lone 7 76 - 10 - 4279/4272=1 Peak 5247 from cnoeabs.peaks (1.04, 0.78, 13.95 ppm; 3.55 A): 2 out of 2 assignments used, quality = 0.87: QD1 ILE 40 + QD1 ILE 68 OK 83 99 - 84 - 5249/2.9=22, 4299=11...(34) HG3 PRO 34 + QD1 ILE 68 OK 22 99 - 22 - 5249/2.9=6, 5246/3.2=3...(8) Peak 5249 from cnoeabs.peaks (1.03, 0.81, 17.06 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 40 + QG2 ILE 68 OK 86 100 - 86 - 5247/2.9=20, 4299=18...(39) HG3 PRO 34 + QG2 ILE 68 OK 23 92 - 25 - 5247/2.9=5, 5246/2.1=4...(11) Peak 5251 from cnoeabs.peaks (1.69, 0.78, 13.95 ppm; 4.50 A): 3 out of 14 assignments used, quality = 0.67: HB3 LEU 64 + QD1 ILE 68 OK 43 98 - 44 - 3.0/5242=16, 1.8/5252=10...(6) HG3 ARG 66 + QD1 ILE 68 OK 33 99 - 34 - 1.8/5252=5, 2.8/5974=4...(15) HG2 ARG 23 + QD1 ILE 68 OK 14 87 - 16 - 1.8/4759=7, 3.0/5974=2...(4) HD2 LYS 75 - QD1 ILE 68 poor 10 73 - 13 - 3.5/5974=3, 4.7/4765=2...(5) HD3 LYS 75 - QD1 ILE 68 poor 10 73 - 13 - 3.5/5974=3, 4.7/4765=2...(5) HB3 LYS 13 - QD1 ILE 68 lone 9 99 - 9 - 4.8/4761=3 HG2 ARG 70 - QD1 ILE 68 lone 6 83 - 7 - 5.0/5835=2 HG LEU 29 - QD1 ILE 68 lone 6 93 - 6 - 3.7/5403=1 HB2 ARG 82 - QD1 ILE 68 lone 6 99 - 6 - 2.9/5242=2 HB3 GLN 61 - QD1 ILE 68 lone 6 60 - 10 - 1.8/4760=3, ~5976=1, 3.0/4764=1 HB2 LEU 29 - QD1 ILE 68 lone 6 63 - 9 - 4.6/3939=2, 3.0/5403=1 HB3 LYS 83 - QD1 ILE 68 lone 4 60 - 7 - 4.3/5377=1, 3.0/4765=1 HD2 LYS 13 - QD1 ILE 68 lone 3 76 - 4 - HD3 LYS 13 - QD1 ILE 68 lone 3 76 - 4 - Peak 5252 from cnoeabs.peaks (1.98, 0.78, 13.95 ppm; 3.92 A): 5 out of 12 assignments used, quality = 0.75: HB2 LEU 64 + QD1 ILE 68 OK 33 96 - 35 - 3.0/5242=13, 1.8/5251=8...(6) HG3 PRO 14 + QD1 ILE 68 OK 25 100 - 25 - 2.3/4761=5, 2.3/2779=3...(10) HG2 PRO 14 + QD1 ILE 68 OK 25 100 - 25 - 2.3/4761=5, 2.3/2779=3...(10) HG LEU 43 + QD1 ILE 68 OK 19 100 - 19 - 2.1/2781=2, ~2766=2...(7) HG2 ARG 66 + QD1 ILE 68 OK 17 65 - 26 - 1.8/5251=6, 2.8/5974=3...(10) QE MET 31 - QD1 ILE 68 lone 9 99 - 9 - 5073/2.1=1 HB3 MET 11 - QD1 ILE 68 lone 3 76 - 4 - HB3 ARG 70 - QD1 ILE 68 lone 3 60 - 5 - 4.4/5835=2 HB2 ARG 70 - QD1 ILE 68 lone 3 60 - 5 - 4.4/5835=2 HB2 GLN 79 - QD1 ILE 68 lone 3 89 - 3 - HG LEU 57 - QD1 ILE 68 lone 2 60 - 4 - HB3 GLN 79 - QD1 ILE 68 lone 2 97 - 2 - Peak 5253 from cnoeabs.peaks (3.57, 1.38, 27.02 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.82: HA VAL 41 + HG3 ARG 69 OK 73 99 - 74 - 5254/1.8=18, 4341=13...(21) HD3 PRO 36 + HG3 ARG 69 OK 33 100 - 33 - 5254/1.8=8, 6073/3.0=4...(14) Peak 5254 from cnoeabs.peaks (3.58, 1.24, 27.02 ppm; 4.78 A): 3 out of 4 assignments used, quality = 0.91: HA VAL 41 + HG2 ARG 69 OK 79 100 - 79 - 5253/1.8=29, 3.2/4903=12...(19) HD3 PRO 36 + HG2 ARG 69 OK 35 99 - 36 - 5253/1.8=13, 6073/3.0=4...(10) HD3 PRO 36 + HG13 ILE 33 OK 33 60 - 55 - ~1680=9, ~1659=8...(15) HA VAL 41 - HG13 ILE 33 poor 7 62 - 12 - 3.0/142=2, 4342=2, ~4223=1 Peak 5255 from cnoeabs.peaks (0.90, 1.48, 24.53 ppm; 5.07 A): 8 out of 27 assignments used, quality = 0.85: HG LEU 51 + HG2 LYS 73 OK 29 100 - 29 - ~5205=4, 5257/1.8=4...(13) QG2 VAL 76 + HG2 LYS 73 OK 28 73 - 38 - ~5853=5, 5261/2.9=4...(15) QG1 VAL 76 + HG2 LYS 73 OK 28 73 - 38 - ~5853=5, 5261/2.9=4...(15) HG12 ILE 68 + HG2 LYS 73 OK 19 73 - 26 - 3.2/5256=4, 2.1/5256=3...(10) QD1 LEU 29 + HG2 LYS 73 OK 19 89 - 21 - 5257/1.8=2, 1481/3.8=2...(6) QD1 LEU 86 + HG2 LYS 73 OK 16 98 - 16 - 5257/1.8=2 QD1 LEU 62 + HG2 LYS 73 OK 16 76 - 21 - 2.1/5005=4, 5257/1.8=2...(5) QD1 LEU 29 + HG3 LYS 13 OK 10 62 - 17 - 4.8/5534=2, 5328/2.9=1...(7) QD1 LEU 86 - HG3 LYS 85 poor 8 66 - 12 - 5257/1.8=1 QD1 LEU 29 - HG3 LYS 85 poor 8 56 - 13 - 5257/1.8=1, 4.8/5534=1, ~1499=1 HG LEU 51 - HG3 LYS 13 lone 7 75 - 9 - ~5205=2 QG1 VAL 90 - HG2 LYS 73 lone 6 100 - 6 - QG2 VAL 90 - HG2 LYS 73 lone 6 100 - 6 - QD1 LEU 86 - HG3 LYS 13 lone 5 73 - 7 - QD1 LEU 62 - HG3 LYS 13 lone 4 51 - 8 - HG12 ILE 68 - HG3 LYS 13 lone 4 49 - 8 - ~5251=1 HG12 ILE 68 - HG3 LYS 85 lone 4 44 - 9 - ~4755=1 HG LEU 51 - HG3 LYS 85 lone 4 69 - 5 - QG1 VAL 76 - HG3 LYS 85 lone 4 44 - 8 - QG2 VAL 76 - HG3 LYS 85 lone 4 44 - 8 - QG2 VAL 90 - HG3 LYS 85 lone 3 70 - 5 - 3654/4.7=1 QG1 VAL 90 - HG3 LYS 85 lone 3 70 - 5 - 3654/4.7=1 QD1 LEU 62 - HG3 LYS 85 lone 3 46 - 6 - QG2 VAL 90 - HG3 LYS 13 lone 3 77 - 3 - QG1 VAL 90 - HG3 LYS 13 lone 3 76 - 3 - QG1 VAL 76 - HG3 LYS 13 lone 2 49 - 4 - QG2 VAL 76 - HG3 LYS 13 lone 2 49 - 4 - Peak 5256 from cnoeabs.peaks (0.80, 1.48, 24.53 ppm; 4.65 A): 4 out of 15 assignments used, quality = 0.93: QG1 VAL 41 + HG2 LYS 73 OK 71 100 - 72 - 4904=27, 5626/3.8=14...(17) QD1 ILE 89 + HG2 LYS 73 OK 54 97 - 56 - 5274/1.8=10, 3634/2.9=8...(22) QG2 ILE 68 + HG2 LYS 73 OK 29 98 - 29 - 5264/4.9=6, 5403/3.8=3...(11) QD1 ILE 89 + HG3 LYS 13 OK 28 70 - 40 - 5274/1.8=8, ~1024=3...(16) QD1 ILE 68 - HG2 LYS 73 OK 19 85 - 23 - 5264/4.9=4, 5403/3.8=3...(9) QD1 LEU 43 - HG3 LYS 13 OK 19 37 - 50 - 2031/3.9=7, ~2040=6...(23) QD1 ILE 89 - HG3 LYS 85 OK 16 64 - 25 - 3634/2.9=3, 5258/1.8=2...(10) QD1 LEU 43 - HG3 LYS 85 poor 9 33 - 26 - 5357/3.8=3, ~2039=2...(10) QG2 ILE 68 - HG3 LYS 85 poor 7 66 - 10 - 4763/3.8=2, 4755/1.8=2 QG1 VAL 41 - HG3 LYS 13 lone 7 76 - 9 - 4904=2 QG1 VAL 41 - HG3 LYS 85 lone 5 70 - 8 - QG2 ILE 68 - HG3 LYS 13 lone 5 73 - 7 - ~5251=1 QD1 ILE 68 - HG3 LYS 13 lone 4 59 - 7 - 5251/3.0=2 QD1 LEU 43 - HG2 LYS 73 lone 4 57 - 7 - QD1 ILE 68 - HG3 LYS 85 lone 4 53 - 7 - Peak 5257 from cnoeabs.peaks (0.89, 1.39, 24.53 ppm; 4.14 A): 8 out of 45 assignments used, quality = 0.76: HG LEU 51 + HG3 LYS 73 OK 21 100 - 21 - 5255/1.8=3, ~5205=2...(7) QG2 VAL 76 + HG3 LYS 73 OK 19 63 - 30 - 5255/1.8=3, ~5853=3...(16) QG1 VAL 76 + HG3 LYS 73 OK 19 63 - 30 - 5255/1.8=3, ~5853=3...(16) HG LEU 51 + HG2 LYS 75 OK 16 61 - 26 - ~5204=4, ~5203=4...(9) HG LEU 51 + HG3 LYS 75 OK 16 61 - 26 - ~5204=4, ~5203=4...(9) QD1 LEU 29 + HG3 LYS 73 OK 14 95 - 15 - 5255/1.8=2, 1481/3.8=2 QD1 LEU 86 + HG3 LYS 73 OK 13 100 - 13 - 5255/1.8=2, 4.8/5895=1 QD1 LEU 62 + HG3 LYS 73 OK 11 85 - 13 - ~5005=2, 5255/1.8=2, 1481/3.8=1 QG1 VAL 76 - HG3 LYS 75 poor 10 31 - 32 - 815/4.9=5, 3.2/5435=3...(17) QG1 VAL 76 - HG2 LYS 75 poor 10 31 - 32 - 815/4.9=5, 3.2/5435=3...(17) QG2 VAL 76 - HG2 LYS 75 poor 10 31 - 32 - 815/4.9=5, 3.2/5435=3...(17) QG2 VAL 76 - HG3 LYS 75 poor 10 31 - 32 - 815/4.9=5, 3.2/5435=3...(17) HG12 ILE 68 - HG3 LYS 73 poor 10 63 - 15 - 5255/1.8=2, 3.2/5258=2...(6) QD1 LEU 86 - HG2 LYS 85 lone 8 96 - 8 - QD1 LEU 29 - HG2 LYS 85 lone 8 90 - 9 - QD1 LEU 29 - HG2 LYS 75 poor 6 53 - 12 - QD1 LEU 29 - HG3 LYS 75 poor 6 53 - 12 - HG12 ILE 68 - HG2 LYS 75 poor 5 31 - 17 - 5.0/761=2, ~5974=2...(7) HG12 ILE 68 - HG3 LYS 75 poor 5 31 - 17 - 5.0/761=2, ~5974=2...(7) QD1 LEU 86 - HG2 LYS 75 lone 4 60 - 7 - 4.8/5895=1 QD1 LEU 86 - HG3 LYS 75 lone 4 60 - 7 - 4.8/5895=1 QG1 VAL 76 - HG2 LYS 85 lone 4 58 - 7 - QG2 VAL 76 - HG2 LYS 85 lone 4 58 - 7 - QG2 VAL 90 - HG3 LYS 73 lone 4 99 - 4 - QG1 VAL 90 - HG3 LYS 73 lone 4 99 - 4 - HG LEU 51 - HG2 LYS 85 lone 3 97 - 3 - HG12 ILE 68 - HG2 LYS 85 lone 3 58 - 5 - QD1 LEU 62 - HG2 LYS 85 lone 3 79 - 4 - QG2 VAL 90 - HG2 LYS 85 lone 3 96 - 3 - QG1 VAL 90 - HG2 LYS 85 lone 3 95 - 3 - QD1 LEU 29 - HG2 LYS 83 lone 3 70 - 4 - QD1 LEU 86 - HG2 LYS 83 lone 3 78 - 4 - 4.8/5895=1 QD1 LEU 62 - HG3 LYS 75 lone 2 45 - 5 - QD1 LEU 62 - HG2 LYS 75 lone 2 45 - 5 - QG2 VAL 90 - HG3 LYS 75 lone 2 59 - 3 - QG2 VAL 90 - HG2 LYS 75 lone 2 59 - 3 - QG1 VAL 90 - HG3 LYS 75 lone 2 59 - 3 - QG1 VAL 90 - HG2 LYS 75 lone 2 59 - 3 - HG LEU 51 - HG2 LYS 83 lone 2 79 - 2 - QG1 VAL 76 - HG2 LYS 83 lone 2 42 - 4 - QG2 VAL 76 - HG2 LYS 83 lone 2 42 - 4 - HG12 ILE 68 - HG2 LYS 83 lone 1 42 - 3 - QD1 LEU 62 - HG2 LYS 83 lone 1 60 - 2 - QG2 VAL 90 - HG2 LYS 83 lone 1 77 - 1 - QG1 VAL 90 - HG2 LYS 83 lone 1 76 - 1 - Peak 5258 from cnoeabs.peaks (0.80, 1.39, 24.53 ppm; 4.86 A): 4 out of 25 assignments used, quality = 0.95: QG1 VAL 41 + HG3 LYS 73 OK 74 100 - 74 - 4904/1.8=25, 5626/3.8=15...(17) QD1 ILE 89 + HG3 LYS 73 OK 58 97 - 61 - 3634/2.9=8, 5274=8...(25) QG2 ILE 68 + HG3 LYS 73 OK 35 98 - 36 - 5264/4.9=6, 5256/1.8=4...(13) QD1 ILE 89 + HG2 LYS 85 OK 26 92 - 29 - 3637/1.8=3, 3634/2.9=3...(12) QG1 VAL 41 - HG3 LYS 75 OK 25 60 - 42 - 4344=4, 4344/1.8=4...(15) QG1 VAL 41 - HG2 LYS 75 OK 25 60 - 42 - 4344=4, 4344/1.8=4...(15) QD1 ILE 68 - HG3 LYS 73 OK 23 85 - 27 - 5264/4.9=4, 5256/1.8=3...(9) QG2 ILE 68 - HG2 LYS 75 OK 18 57 - 31 - 4763/3.9=4, 4.1/761=4...(11) QG2 ILE 68 - HG3 LYS 75 OK 18 57 - 31 - 4763/3.9=4, 4.1/761=4...(11) QD1 LEU 43 - HG2 LYS 85 OK 16 53 - 30 - 5357/3.8=3, ~2039=3...(15) QD1 ILE 89 - HG2 LYS 75 OK 16 56 - 28 - 5274/1.8=4, 5274=3...(9) QD1 ILE 89 - HG3 LYS 75 OK 16 56 - 28 - 5274/1.8=4, 5274=3...(9) QG2 ILE 68 - HG2 LYS 85 OK 12 94 - 13 - 4763/3.8=2, 4.1/763=2...(5) QD1 ILE 68 - HG2 LYS 75 OK 12 45 - 27 - 5974/2.7=3, 4765/3.9=2...(9) QD1 ILE 68 - HG3 LYS 75 OK 12 45 - 27 - 5974/2.7=3, 4765/3.9=2...(9) QG1 VAL 41 - HG2 LYS 85 lone 10 97 - 10 - QD1 ILE 68 - HG2 LYS 85 lone 7 79 - 8 - 2.9/4755=1 QG1 VAL 41 - HG2 LYS 83 lone 6 78 - 7 - 4334/3.7=1, 4346/2.9=1 QG2 ILE 68 - HG2 LYS 83 lone 5 75 - 6 - 4763/3.7=1 QD1 LEU 43 - HG3 LYS 73 lone 5 57 - 8 - QD1 LEU 43 - HG2 LYS 83 lone 4 38 - 9 - 5357/3.7=2 QD1 ILE 89 - HG2 LYS 83 lone 3 72 - 5 - QD1 ILE 68 - HG2 LYS 83 lone 3 60 - 5 - QD1 LEU 43 - HG2 LYS 75 lone 2 28 - 9 - 5357/3.9=1 QD1 LEU 43 - HG3 LYS 75 lone 2 28 - 9 - 5357/3.9=1 Peak 5260 from cnoeabs.peaks (0.81, 1.78, 32.45 ppm; 4.23 A): 4 out of 36 assignments used, quality = 0.95: QD1 ILE 89 + HB3 LYS 73 OK 60 100 - 60 - 3634/1.8=8, 5274/2.9=7...(23) QG1 VAL 41 + HB3 LYS 73 OK 57 90 - 63 - 4904/2.9=15, 5626/3.0=12...(16) QD1 LEU 43 + HB2 LYS 13 OK 51 78 - 65 - 2031/3.0=10, ~2038=9...(27) QG1 VAL 41 + HB3 LYS 39 OK 39 89 - 44 - 4295/4.4=7, 4346=6...(15) QG2 ILE 89 - HB3 LYS 73 OK 32 57 - 57 - 3.2/6149=6, 3613/1.8=5...(25) QD1 ILE 89 - HB2 LYS 13 OK 30 95 - 32 - 5274/3.0=6, 2.1/6149=3...(12) QG2 ILE 68 - HB3 LYS 39 OK 29 99 - 30 - 4295/4.4=8, 4763/3.0=3...(10) QG2 ILE 68 - HB3 LYS 73 OK 28 100 - 28 - 5264/4.0=5, 3.2/4748=3...(8) QD1 LEU 43 - HB3 LYS 39 OK 27 85 - 32 - 4917/5205=5, 5357/3.0=5...(10) QG2 ILE 68 - HB3 LYS 75 OK 24 92 - 26 - 4763/3.0=4, 3.2/4748=3...(9) QG1 VAL 41 - HB3 LYS 75 OK 23 79 - 29 - 4346=4, 4344/2.7=3...(13) QD2 LEU 86 - HB3 LYS 39 OK 22 79 - 27 - ~5119=2, 5206/2.9=2...(11) QD1 ILE 89 - HB3 LYS 75 OK 19 92 - 21 - 5274/2.7=3, 5274/2.7=3...(7) QD1 LEU 43 - HB2 LYS 85 OK 16 51 - 32 - 5357/3.0=4, 2032/1.8=4...(13) QG2 ILE 89 - HB2 LYS 13 OK 16 50 - 32 - 3.2/6149=3, ~5274=3...(16) QD1 ILE 89 - HB3 LYS 39 OK 15 99 - 15 - 5274/2.9=3, 4295/4.4=2...(7) QD1 ILE 89 - HB2 LYS 85 OK 12 66 - 18 - 3637/2.9=2, ~3448=2...(8) QG2 ILE 68 - HB2 LYS 13 OK 11 94 - 11 - 4751/4.8=2, 4.1/760=1, ~5251=1 QD2 LEU 86 - HB3 LYS 73 OK 10 81 - 13 - ~5255=1 QD1 LEU 43 - HB2 LYS 83 OK 10 80 - 13 - 5357/3.0=2, 2032/1.8=1...(4) QD1 LEU 43 - HB3 LYS 73 lone 8 87 - 9 - 4917/5205=1 QD1 LEU 43 - HB3 LYS 75 poor 8 76 - 10 - 4917/5205=2, 5357/3.0=2 QG2 ILE 89 - HB3 LYS 75 poor 8 48 - 16 - 3.2/6149=2, ~5274=1...(5) QG2 ILE 68 - HB2 LYS 85 poor 7 66 - 11 - 4763/3.0=2, 3.2/4748=1...(4) QG2 ILE 68 - HB2 LYS 83 lone 7 96 - 7 - 4763/3.0=1 QG2 ILE 89 - HB2 LYS 85 poor 7 31 - 23 - 4040/4.6=3, ~6062=2...(7) QG1 VAL 41 - HB2 LYS 83 lone 7 84 - 8 - 4346=1 QG1 VAL 41 - HB2 LYS 13 lone 7 82 - 8 - 4346=1, 4904/3.0=1 QD1 ILE 89 - HB2 LYS 83 lone 6 96 - 6 - 5909/4.3=1 QD2 LEU 86 - HB2 LYS 85 poor 6 46 - 12 - 4.8/386=5 QG2 ILE 89 - HB3 LYS 39 lone 5 56 - 9 - ~5274=1, 5206/2.9=1 QD2 LEU 86 - HB2 LYS 13 lone 4 72 - 6 - QD2 LEU 86 - HB3 LYS 75 lone 4 69 - 6 - QG1 VAL 41 - HB2 LYS 85 lone 4 54 - 7 - QG2 ILE 89 - HB2 LYS 83 lone 3 52 - 6 - 4171/4.3=1 QD2 LEU 86 - HB2 LYS 83 lone 3 74 - 4 - Peak 5261 from cnoeabs.peaks (0.91, 1.82, 32.45 ppm; 4.88 A): 3 out of 30 assignments used, quality = 0.95: QG2 VAL 76 + HB2 LYS 73 OK 68 97 - 70 - ~16037=25, ~15432=24...(18) QG1 VAL 76 + HB2 LYS 73 OK 68 97 - 70 - ~16037=25, ~15432=24...(18) QG2 VAL 41 + HB2 LYS 73 OK 49 73 - 67 - ~4904=14, ~5626=11...(18) QG2 VAL 76 - HB2 LYS 75 OK 28 72 - 39 - 3.9/340=13, ~5856=7...(12) QG1 VAL 76 - HB2 LYS 75 OK 28 72 - 39 - 3.9/340=13, ~5856=7...(12) HG12 ILE 68 - HB2 LYS 73 OK 27 97 - 28 - 5816/4.0=4, 4.0/5973=3...(11) QD2 LEU 62 - HB2 LYS 73 OK 20 85 - 23 - 5962/4.3=3, 5005/2.9=3...(7) HG LEU 51 - HB2 LYS 73 OK 20 85 - 23 - ~5205=4, 5255/2.9=3...(8) QG2 VAL 41 - HB2 LYS 75 OK 18 49 - 37 - 4337/3.0=3, ~4346=3...(18) QG2 ILE 40 - HB2 LYS 75 OK 18 59 - 31 - 4303/1.8=4, 5212/3.0=3...(13) HG12 ILE 68 - HB2 LYS 75 OK 18 72 - 25 - 814/4.6=3, ~4763=2...(11) HG LEU 51 - HB2 LYS 75 OK 15 59 - 25 - ~5205=6, ~6094=3...(10) QD1 LEU 86 - HB2 LYS 73 OK 13 76 - 18 - 5255/2.9=2, 2.1/5262=1...(4) QG2 ILE 40 - HB2 LYS 73 OK 13 85 - 15 - 4303=2, 4326/4.0=2, 4302/2.9=1 QD1 LEU 86 - HB2 LYS 85 poor 9 52 - 17 - 4.8/386=8 QG1 VAL 90 - HB2 LYS 73 lone 8 97 - 9 - 4.0/5277=3 QG2 VAL 90 - HB2 LYS 73 lone 8 96 - 9 - 4.0/5277=3 HG12 ILE 68 - HB2 LYS 85 poor 8 73 - 11 - 5.0/760=2, ~4763=1 QG2 ILE 40 - HB2 LYS 85 poor 7 60 - 12 - 4303=2, ~4315=1, 5212/3.0=1 QG1 VAL 76 - HB2 LYS 85 lone 7 73 - 9 - QG2 VAL 76 - HB2 LYS 85 lone 7 73 - 9 - QD2 LEU 62 - HB2 LYS 75 lone 4 59 - 8 - 815/4.6=1, 5850/4.0=1 QG2 VAL 41 - HB2 LYS 85 lone 4 50 - 9 - QG1 VAL 90 - HB2 LYS 85 lone 4 72 - 6 - 4.0/5277=2, 3649/4.6=1 QG2 VAL 90 - HB2 LYS 85 lone 4 70 - 6 - 4.0/5277=2, 3649/4.6=1 QD2 LEU 62 - HB2 LYS 85 lone 4 60 - 6 - QD1 LEU 86 - HB2 LYS 75 lone 3 51 - 7 - QG1 VAL 90 - HB2 LYS 75 lone 3 70 - 4 - QG2 VAL 90 - HB2 LYS 75 lone 3 69 - 4 - HG LEU 51 - HB2 LYS 85 lone 2 60 - 4 - Peak 5262 from cnoeabs.peaks (0.82, 1.82, 32.45 ppm; 4.79 A): 4 out of 24 assignments used, quality = 0.96: QD1 ILE 89 + HB2 LYS 73 OK 71 99 - 73 - 3634=11, 2.1/3620=9...(26) QG2 ILE 89 + HB2 LYS 73 OK 54 76 - 71 - 3.1/3634=8, 3.2/3620=8...(30) QG1 VAL 41 + HB2 LYS 73 OK 51 76 - 68 - 4904/2.9=16, 5626/3.0=13...(18) QG2 ILE 68 + HB2 LYS 73 OK 34 97 - 35 - 5264/4.0=6, 4.1/2968=3...(12) QD1 LEU 43 - HB2 LYS 85 OK 28 72 - 39 - 5357/3.0=6, 2032/1.8=4...(15) QD1 ILE 89 - HB2 LYS 85 OK 26 75 - 34 - 3634=4, 3.1/3613=3...(14) QD2 LEU 29 - HB2 LYS 73 OK 21 68 - 31 - ~1498=3, ~1484=2...(12) QG2 ILE 89 - HB2 LYS 85 OK 21 52 - 40 - 4040/4.6=5, 3.2/3599=4...(18) QG2 ILE 68 - HB2 LYS 75 OK 20 72 - 29 - 4763/3.0=5, ~4748=3...(10) QD1 ILE 89 - HB2 LYS 75 OK 20 73 - 28 - 5274/2.7=4, 5274/2.7=4...(8) QD2 LEU 86 - HB2 LYS 73 OK 18 93 - 19 - ~5255=1, 4.8/386=1...(4) QG1 VAL 41 - HB2 LYS 75 OK 16 51 - 32 - 4346/1.8=3, 4334/3.0=3...(13) QD2 LEU 86 - HB2 LYS 85 OK 12 68 - 17 - 4.8/386=8 QG2 ILE 89 - HB2 LYS 75 OK 12 51 - 23 - 3.1/3634=3, 3.2/3620=2...(8) QD1 LEU 43 - HB2 LYS 73 OK 11 97 - 11 - QG2 ILE 68 - HB2 LYS 85 OK 10 73 - 14 - 4763/3.0=2, 4.1/760=2...(4) QD1 LEU 43 - HB2 LYS 75 poor 7 70 - 11 - 5357/3.0=2 QD2 LEU 29 - HB2 LYS 85 poor 7 46 - 15 - 5916/4.6=3, ~1499=1 QD2 LEU 64 - HB2 LYS 75 poor 7 45 - 15 - ~2648=2, 5027/3.0=1...(4) QD2 LEU 29 - HB2 LYS 75 poor 6 45 - 12 - 5329/3.5=1, 5329/3.5=1 QG1 VAL 41 - HB2 LYS 85 lone 5 52 - 9 - QD2 LEU 64 - HB2 LYS 73 lone 5 68 - 7 - QD2 LEU 86 - HB2 LYS 75 lone 4 67 - 7 - QD2 LEU 64 - HB2 LYS 85 lone 3 46 - 6 - 5916/4.6=1 Peak 5266 from cnoeabs.peaks (6.79, 7.51, 41.34 ppm; 2.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5270 from cnoeabs.peaks (1.15, 1.82, 38.45 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.99: HG12 ILE 89 + HB ILE 89 OK 98 98 - 100 - 2.9=100 QG2 THR 88 + HB ILE 89 OK 60 99 - 60 - 410/4.0=20, 3601/3.0=13...(8) QG2 THR 37 - HB ILE 89 OK 12 76 - 16 - 3636/3.2=2, 3615/2.1=2...(8) Peak 5273 from cnoeabs.peaks (1.11, 0.81, 12.46 ppm; 3.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5274 from cnoeabs.peaks (1.41, 0.81, 12.46 ppm; 3.86 A): 7 out of 9 assignments used, quality = 0.83: HG3 LYS 73 + QD1 ILE 89 OK 34 81 - 42 - 2.9/3634=6, 1.8/5256=5...(15) HB3 LEU 43 + QD1 ILE 89 OK 34 60 - 56 - 3.1/3635=9, 1.8/2014=5...(29) HG2 LYS 13 + QD1 ILE 89 OK 27 92 - 30 - 1024/2.1=3, 1.8/5256=3...(12) HB3 ARG 69 + QD1 ILE 89 OK 17 93 - 18 - 5821=2, 3.0/4767=2...(6) HG2 LYS 75 + QD1 ILE 89 OK 14 85 - 16 - 2.7/3634=2 HG3 LYS 75 + QD1 ILE 89 OK 14 85 - 16 - 2.7/3634=2 HG3 LYS 39 + QD1 ILE 89 OK 14 100 - 14 - 5206/3.1=2, 1.8/6150=1...(4) QB ALA 53 - QD1 ILE 89 lone 4 90 - 4 - QB ALA 78 - QD1 ILE 89 lone 1 81 - 2 - Peak 5284 from cnoeabs.peaks (2.25, 3.95, 45.26 ppm; 5.25 A): 0 out of 16 assignments used, low quality = 0.27: HG2 GLU 25 - HA3 GLY 21 OK 15 100 - 15 - 1346/3.5=5, 3.0/4151=2...(5) HG2 GLU 25 - HA2 GLY 21 OK 15 100 - 15 - 1346/3.5=5, 3.0/4151=2...(5) HG3 GLU 19 - HA3 GLY 18 poor 8 40 - 20 - 4.9/25=12, 3.9/4800=2...(5) HG2 GLU 19 - HA3 GLY 18 poor 8 40 - 20 - 4.9/25=12, 3.9/4800=2...(5) HG3 GLU 19 - HA2 GLY 18 poor 8 39 - 20 - 4.9/25=12, 3.9/4800=2...(5) HG2 GLU 19 - HA2 GLY 18 poor 8 39 - 20 - 4.9/25=12, 3.9/4800=2...(5) HB2 PRO 14 - HA2 GLY 21 lone 8 83 - 9 - 5092/3.5=5 HB2 PRO 14 - HA3 GLY 21 lone 8 83 - 9 - 5092/3.5=5 HG3 GLU 19 - HA3 GLY 21 poor 7 71 - 10 - 5514/4.8=3, 3.9/4800=1 HG2 GLU 19 - HA3 GLY 21 poor 7 71 - 10 - 5514/4.8=3, 3.9/4800=1 HG2 GLU 19 - HA2 GLY 21 poor 7 71 - 10 - 5514/4.8=3, 3.9/4800=1 HG3 GLU 19 - HA2 GLY 21 poor 7 71 - 10 - 5514/4.8=3, 3.9/4800=1 HG2 GLU 25 - HA3 GLY 18 lone 3 67 - 5 - HG2 GLU 25 - HA2 GLY 18 lone 3 64 - 5 - HB2 PRO 14 - HA3 GLY 18 lone 1 49 - 2 - HB2 PRO 14 - HA2 GLY 18 lone 1 47 - 2 - Peak 5285 from cnoeabs.peaks (2.57, 3.95, 45.26 ppm; 4.92 A): 0 out of 20 assignments used, low quality = 0.38: HG2 GLN 61 - HA2 GLY 21 OK 21 65 - 33 - 1.8/2557=4, ~2557=3...(13) HG2 GLN 61 - HA3 GLY 21 OK 21 65 - 33 - 1.8/2557=4, ~2557=3...(13) HB3 ASP 24 - HA3 GLY 21 lone 5 93 - 5 - 3741/3.5=1 HB3 ASP 24 - HA2 GLY 21 lone 5 93 - 5 - 3741/3.5=1 HB2 ASP 24 - HA3 GLY 21 lone 4 85 - 5 - 3740/3.5=1 HB2 ASP 24 - HA2 GLY 21 lone 4 85 - 5 - 3740/3.5=1 HB3 ASP 47 - HA2 GLY 21 lone 3 90 - 3 - HB3 ASP 47 - HA3 GLY 21 lone 3 90 - 3 - HB3 ASP 24 - HA3 GLY 18 lone 2 58 - 4 - 1324/3.6=2 HB3 ASP 24 - HA2 GLY 18 lone 2 56 - 4 - 1324/3.6=2 HB2 ASP 24 - HA3 GLY 18 lone 2 50 - 4 - 1320/3.6=2 HB2 ASP 24 - HA2 GLY 18 lone 2 48 - 4 - 1320/3.6=2 HB3 ASP 47 - HA3 GLY 18 lone 1 55 - 2 - HB3 ASP 46 - HA3 GLY 21 lone 1 68 - 2 - HB3 ASP 46 - HA2 GLY 21 lone 1 68 - 2 - HB3 ASP 47 - HA2 GLY 18 lone 1 53 - 2 - HG2 GLN 61 - HA3 GLY 18 lone 1 37 - 2 - HG2 GLN 61 - HA2 GLY 18 lone 1 35 - 2 - HB3 ASP 46 - HA3 GLY 18 lone 1 38 - 2 - HB3 ASP 46 - HA2 GLY 18 lone 1 37 - 2 - Peak 5286 from cnoeabs.peaks (3.16, 3.95, 45.26 ppm; 5.67 A): 0 out of 56 assignments used, low quality = 0.00: HD2 ARG 17 - HA3 GLY 21 lone 9 100 - 9 - 3.0/5495=1, 3.0/5495=1...(4) HD3 ARG 17 - HA3 GLY 21 lone 9 100 - 9 - 3.0/5495=1, 3.0/5495=1...(4) HD3 ARG 17 - HA2 GLY 21 lone 9 100 - 9 - 3.0/5495=1, 3.0/5495=1...(4) HD2 ARG 17 - HA2 GLY 21 lone 9 100 - 9 - 3.0/5495=1, 3.0/5495=1...(4) HD2 ARG 26 - HA3 GLY 21 lone 8 97 - 8 - 3.0/5495=1 HD2 ARG 26 - HA2 GLY 21 lone 8 97 - 8 - 3.0/5495=1 HD3 ARG 26 - HA3 GLY 21 lone 8 97 - 8 - 3.0/5495=1 HD3 ARG 26 - HA2 GLY 21 lone 8 97 - 8 - 3.0/5495=1 HD3 ARG 27 - HA2 GLY 21 lone 7 100 - 7 - HD2 ARG 27 - HA2 GLY 21 lone 7 100 - 7 - HD3 ARG 27 - HA3 GLY 21 lone 7 100 - 7 - HD2 ARG 27 - HA3 GLY 21 lone 7 100 - 7 - HD3 ARG 66 - HA2 GLY 21 lone 7 76 - 9 - 3.4/5496=1 HD3 ARG 66 - HA3 GLY 21 lone 7 76 - 9 - 3.4/5496=1 HD2 ARG 66 - HA2 GLY 21 lone 6 71 - 9 - 3.4/5496=1 HD2 ARG 66 - HA3 GLY 21 lone 6 71 - 9 - 3.4/5496=1 HD2 ARG 71 - HA3 GLY 21 lone 6 73 - 8 - 3.0/5495=1 HD2 ARG 71 - HA2 GLY 21 lone 6 73 - 8 - 3.0/5495=1 HD2 ARG 26 - HA3 GLY 18 lone 5 62 - 8 - ~4827=2 HD2 ARG 23 - HA2 GLY 21 lone 5 100 - 5 - HD3 ARG 23 - HA2 GLY 21 lone 5 100 - 5 - HD2 ARG 23 - HA3 GLY 21 lone 5 100 - 5 - HD3 ARG 23 - HA3 GLY 21 lone 5 100 - 5 - HD3 ARG 26 - HA3 GLY 18 lone 5 61 - 8 - ~4827=2 HD2 ARG 26 - HA2 GLY 18 lone 5 60 - 8 - ~4827=2 HD3 ARG 26 - HA2 GLY 18 lone 5 59 - 8 - ~4827=2 HD2 ARG 71 - HA3 GLY 18 poor 5 42 - 11 - ~4827=3, ~4828=2, 3.0/5495=1 HD2 ARG 71 - HA2 GLY 18 poor 4 40 - 11 - ~4827=3, ~4828=2, 3.0/5495=1 HD3 ARG 27 - HA3 GLY 18 lone 4 66 - 6 - ~4828=1 HD2 ARG 27 - HA3 GLY 18 lone 4 66 - 6 - ~4828=1 HD2 ARG 27 - HA2 GLY 18 lone 4 64 - 6 - ~4828=1 HD3 ARG 27 - HA2 GLY 18 lone 4 64 - 6 - ~4828=1 HD3 ARG 84 - HA2 GLY 21 lone 3 92 - 4 - HD3 ARG 84 - HA3 GLY 21 lone 3 92 - 4 - HD2 ARG 84 - HA2 GLY 21 lone 3 89 - 4 - HD2 ARG 84 - HA3 GLY 21 lone 3 89 - 4 - HD2 ARG 82 - HA2 GLY 21 lone 3 90 - 3 - HD2 ARG 82 - HA3 GLY 21 lone 3 90 - 3 - HD3 ARG 23 - HA3 GLY 18 lone 2 67 - 4 - HD2 ARG 23 - HA3 GLY 18 lone 2 67 - 4 - HD3 ARG 23 - HA2 GLY 18 lone 2 65 - 4 - HD2 ARG 23 - HA2 GLY 18 lone 2 65 - 4 - HD2 ARG 17 - HA3 GLY 18 lone 2 66 - 4 - HD3 ARG 17 - HA3 GLY 18 lone 2 66 - 4 - HD2 ARG 17 - HA2 GLY 18 lone 2 64 - 3 - HD3 ARG 17 - HA2 GLY 18 lone 2 64 - 3 - HD3 ARG 84 - HA3 GLY 18 lone 2 56 - 3 - HD3 ARG 84 - HA2 GLY 18 lone 2 54 - 3 - HD2 ARG 84 - HA3 GLY 18 lone 2 54 - 3 - HD2 ARG 84 - HA2 GLY 18 lone 1 51 - 3 - HD2 ARG 82 - HA3 GLY 18 lone 1 55 - 3 - HD2 ARG 82 - HA2 GLY 18 lone 1 53 - 3 - HD3 ARG 66 - HA3 GLY 18 lone 1 44 - 3 - HD3 ARG 66 - HA2 GLY 18 lone 1 42 - 3 - HD2 ARG 66 - HA3 GLY 18 lone 1 40 - 3 - HD2 ARG 66 - HA2 GLY 18 lone 1 39 - 3 - Peak 5287 from cnoeabs.peaks (2.81, 4.26, 57.87 ppm; 4.13 A): 1 out of 3 assignments used, quality = 0.46: HB3 ASP 67 + HA LEU 64 OK 46 73 - 63 - 1.8/5288=32, 4739=17...(8) HB2 TYR 55 - HA LEU 64 lone 4 95 - 4 - 4584/3.0=2 HB2 ASN 74 - HA LEU 64 lone 2 100 - 2 - Peak 5288 from cnoeabs.peaks (2.88, 4.26, 57.87 ppm; 3.77 A): 1 out of 4 assignments used, quality = 0.52: HB2 ASP 67 + HA LEU 64 OK 52 87 - 60 - 1.8/5287=29, 4738=17...(8) HB3 PHE 48 - HA LEU 64 lone 9 100 - 9 - 4478/3.9=2, 4475/3.0=1...(4) HB2 ASN 49 - HA LEU 64 lone 5 87 - 6 - ~4494=3 HB2 PHE 35 - HA LEU 64 lone 3 65 - 4 - Peak 5289 from cnoeabs.peaks (7.15, 4.03, 60.97 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.87: QE PHE 48 + HA PHE 48 OK 87 100 - 87 - 5.6=58, 2.2/2142=34...(8) Peak 5290 from cnoeabs.peaks (7.72, 4.03, 60.97 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.86: H GLU 50 + HA PHE 48 OK 71 100 - 71 - 181/3.6=35, 5671/3.0=23...(13) H ASN 42 + HA PHE 48 OK 39 100 - 39 - 4452/3.0=10, 4.6/4453=10...(10) H MET 31 + HA PHE 48 OK 22 90 - 24 - 4452/3.0=6, 922/3.6=5...(4) Peak 5291 from cnoeabs.peaks (6.80, 1.87, 30.55 ppm; 5.73 A): 2 out of 12 assignments used, quality = 0.90: QE TYR 55 + HB3 PRO 34 OK 88 93 - 94 - ~4246=35, ~5565=33...(16) QE TYR 81 + HB3 PRO 34 OK 22 93 - 23 - 5933/2.3=4, 5934/2.3=4...(6) QE TYR 55 - HB3 ARG 71 poor 5 44 - 12 - 2.2/4666=2, ~4666=1...(4) QE TYR 55 - HB2 ARG 71 poor 5 43 - 11 - 2.2/4666=2, ~4666=2...(4) QE TYR 55 - HB3 ARG 27 lone 3 41 - 6 - QE TYR 55 - HB2 ARG 27 lone 2 39 - 6 - QE TYR 55 - HB2 GLN 91 lone 2 61 - 3 - QE TYR 81 - HB3 ARG 71 lone 2 44 - 4 - QE TYR 81 - HB2 ARG 71 lone 2 43 - 4 - QE TYR 81 - HB2 GLN 91 lone 2 61 - 3 - QE TYR 81 - HB3 ARG 27 lone 1 41 - 3 - QE TYR 81 - HB2 ARG 27 lone 1 39 - 3 - Peak 5292 from cnoeabs.peaks (4.88, 2.04, 27.30 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.77: HA TYR 55 + HG2 PRO 56 OK 77 95 - 82 - 5293/1.8=30, 4977/2.3=25...(12) Peak 5293 from cnoeabs.peaks (4.89, 2.09, 27.30 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.87: HA TYR 55 + HG3 PRO 56 OK 83 100 - 83 - 5292/1.8=38, 4977/2.3=24...(11) HA TYR 55 + HG2 PRO 36 OK 11 74 - 15 - ~5577=4, 4.8/2421=4...(5) HA TYR 55 + HG3 PRO 36 OK 11 74 - 15 - ~5577=4, 4.8/2421=4...(5) Peak 5294 from cnoeabs.peaks (4.47, 1.88, 29.95 ppm; 4.14 A): 6 out of 54 assignments used, quality = 0.94: HA ASP 67 + HB2 ARG 66 OK 59 100 - 59 - 3.0/278=10, 5814/4.0=10...(18) HA ASP 24 + HB2 ARG 26 OK 38 95 - 40 - 5383/4.6=13, 4169/3.9=12...(10) HA ASP 24 + HB3 ARG 26 OK 37 94 - 40 - 5383/4.6=13, 4169/3.9=12...(10) HA ASP 24 + HB3 ARG 27 OK 32 54 - 59 - 5383/4.1=15, 4157/1.8=9...(20) HA ASP 24 + HB2 ARG 27 OK 30 52 - 59 - 5383/4.1=15, 4157/1.8=9...(20) HA PRO 14 + HB2 ARG 66 OK 24 83 - 29 - 1095=4, 2.3/1102=3...(14) HA ASP 24 - HB3 ARG 23 OK 19 56 - 34 - ~44=6, ~45=6, 3.0/45=6...(11) HA ASP 24 - HB2 ARG 23 OK 18 53 - 34 - ~44=6, ~45=6, 3.0/45=6...(11) HA ASP 67 - HB2 ARG 26 OK 18 100 - 18 - 4169/3.9=4, 3.0/278=3...(7) HA ASP 67 - HB3 ARG 26 OK 18 99 - 18 - 4169/3.9=4, 3.0/278=3...(7) HA PRO 14 - HB2 ARG 26 OK 12 81 - 15 - 1095=2, 1095/1.8=2...(7) HA PRO 14 - HB3 ARG 26 OK 12 81 - 15 - 1095=2, 1095/1.8=2...(7) HA ASP 67 - HB3 ARG 71 OK 11 57 - 20 - 5838/4.0=9, ~5808=4...(5) HA ASP 67 - HB2 ARG 71 OK 11 55 - 20 - 5838/4.0=9, ~5808=4...(5) HA ASP 24 - HB3 ARG 71 poor 9 51 - 17 - 5838/4.0=4, 4157/1.8=2...(4) HA ASP 24 - HB2 ARG 71 poor 8 49 - 17 - 5838/4.0=4, 4157/1.8=2...(4) HA ASP 24 - HB2 ARG 66 lone 8 96 - 8 - 748/4.6=1 HA ASP 46 - HB2 ARG 66 lone 7 87 - 8 - 748/4.6=3, 5814/4.0=1 HA ASP 67 - HB3 ARG 27 poor 7 60 - 11 - 5383/4.1=3, 6057/4.3=2...(5) HA ASP 67 - HB2 ARG 27 poor 6 58 - 11 - 5383/4.1=3, 6057/4.3=2...(5) HA SER 22 - HB3 ARG 23 poor 6 34 - 17 - 5501/4.2=5, ~5499=4...(6) HA SER 22 - HB2 ARG 23 poor 6 32 - 17 - 5501/4.2=5, ~5499=4...(6) HA ASP 46 - HB2 ARG 26 lone 5 86 - 6 - 4169/3.9=2, 5383/4.6=2 HA ASP 46 - HB3 ARG 26 lone 5 85 - 6 - 4169/3.9=2, 5383/4.6=2 HA SER 22 - HB3 ARG 27 poor 4 33 - 14 - 5503/3.0=2, ~5499=2...(7) HA SER 22 - HB2 ARG 27 poor 4 31 - 14 - 5503/3.0=2, ~5499=2...(7) HA TYR 81 - HB3 ARG 23 lone 3 52 - 6 - 3729/4.0=2, 5503/3.0=2 HA TYR 81 - HB2 ARG 23 lone 3 50 - 6 - 3729/4.0=2, 5503/3.0=2 HA ASP 46 - HB3 ARG 23 lone 3 48 - 6 - 516/4.2=5 HA ASP 67 - HB3 ARG 23 lone 3 63 - 5 - 516/4.2=1 HA ASP 67 - HB2 ARG 23 lone 3 60 - 5 - 516/4.2=1 HA ASP 46 - HB2 ARG 23 lone 3 46 - 6 - 516/4.2=5 HA ASP 46 - HB3 ARG 27 lone 3 46 - 5 - 5383/4.1=2 HA ASP 46 - HB2 ARG 27 lone 2 45 - 5 - 5383/4.1=2 HA TYR 81 - HB2 ARG 66 lone 2 92 - 3 - HA SER 22 - HB2 ARG 26 lone 2 64 - 3 - HA SER 22 - HB3 ARG 26 lone 2 64 - 3 - HA SER 22 - HB2 ARG 66 lone 2 65 - 3 - HA TYR 81 - HB2 ARG 26 lone 2 91 - 2 - HA TYR 81 - HB3 ARG 26 lone 2 90 - 2 - HA ASP 46 - HB3 ARG 71 lone 2 43 - 5 - 5838/4.0=2 HA ASP 46 - HB2 ARG 71 lone 2 42 - 5 - 5838/4.0=2 HA PRO 14 - HB3 ARG 27 lone 2 43 - 4 - HA PRO 14 - HB3 ARG 23 lone 2 45 - 3 - 39/4.0=1 HA TYR 81 - HB3 ARG 27 lone 1 50 - 3 - HA PRO 14 - HB2 ARG 27 lone 1 42 - 4 - HA PRO 14 - HB2 ARG 23 lone 1 43 - 3 - 39/4.0=1 HA TYR 81 - HB2 ARG 27 lone 1 49 - 3 - HA SER 22 - HB3 ARG 71 lone 1 30 - 5 - HA SER 22 - HB2 ARG 71 lone 1 29 - 5 - HA TYR 81 - HB3 ARG 71 lone 1 47 - 2 - 5838/4.0=1 HA TYR 81 - HB2 ARG 71 lone 1 46 - 2 - 5838/4.0=1 HA PRO 14 - HB3 ARG 71 lone 1 41 - 2 - HA PRO 14 - HB2 ARG 71 lone 1 39 - 2 - Peak 5295 from cnoeabs.peaks (4.03, 0.83, 26.57 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.96: HA PHE 48 + QD1 LEU 43 OK 85 100 - 85 - 4468=22, 4387/2.1=15...(26) HD2 PRO 44 + QD1 LEU 43 OK 71 96 - 74 - 4398/4.1=14, 4387/2.1=14...(21) HA ARG 54 - QD1 LEU 43 OK 20 87 - 23 - 3.0/2030=5, 4387/2.1=3...(8) HA GLU 59 - QD1 LEU 43 OK 14 85 - 17 - 5364/2.1=4, 4637/3.1=3...(5) HA ARG 70 - QD1 LEU 43 poor 8 73 - 10 - 2.9/5831=2, 4387/2.1=1 HB2 SER 22 - QD1 LEU 43 lone 5 92 - 6 - 4521/4917=2 Peak 5302 from cnoeabs.peaks (0.77, 1.34, 17.80 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.66: QD1 ILE 68 + QB ALA 28 OK 61 99 - 62 - 4758=32, 3.2/4837=7...(15) QG1 VAL 41 + QB ALA 28 OK 11 76 - 15 - 4339/2.1=3, ~4336=2...(6) Peak 5303 from cnoeabs.peaks (7.90, 1.34, 17.80 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.64: H ILE 33 + QB ALA 28 OK 64 100 - 65 - 4.1/4179=21, 100=13...(12) H ASP 67 - QB ALA 28 poor 6 57 - 10 - 277/2.1=1, ~6057=1...(6) Peak 5304 from cnoeabs.peaks (2.30, 0.88, 24.48 ppm; 6.50 A): 6 out of 15 assignments used, quality = 0.84: HG3 GLU 25 + QD1 LEU 29 OK 42 100 - 43 - ~4165=10, 4804/2.1=9...(9) HG3 GLU 59 + QD1 LEU 62 OK 39 71 - 55 - 4.2/4639=22, 1.8/4642=15...(6) HG3 GLU 59 + QD1 LEU 29 OK 25 73 - 34 - 4.2/4639=11, 1.8/4642=8...(6) HG3 GLU 25 + QD1 LEU 62 OK 18 99 - 18 - 1.8/4165=4, 4804=2...(6) HG3 GLU 25 + QD1 LEU 86 OK 15 97 - 15 - 1.8/4165=3, 4804/2.1=2...(5) HB2 PRO 14 + QD1 LEU 62 OK 13 71 - 18 - ~5957=7, 3.0/5960=3, ~5793=1 HG3 GLU 59 - QD1 LEU 86 poor 9 68 - 13 - 4.2/4639=4, 1.8/4642=3 HB2 PRO 14 - QD1 LEU 29 lone 7 73 - 9 - 3.0/5960=2, ~4821=1 HG2 GLN 79 - QD1 LEU 62 lone 3 63 - 5 - HG3 GLN 79 - QD1 LEU 62 lone 3 63 - 5 - HB2 PRO 14 - QD1 LEU 86 lone 3 68 - 5 - HG3 GLN 79 - QD1 LEU 29 lone 3 65 - 4 - HG2 GLN 79 - QD1 LEU 29 lone 3 65 - 4 - HG3 GLN 79 - QD1 LEU 86 lone 3 61 - 4 - HG2 GLN 79 - QD1 LEU 86 lone 3 61 - 4 - Peak 5305 from cnoeabs.peaks (2.52, 1.45, 18.15 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.86: HG3 MET 31 + QB ALA 30 OK 74 100 - 74 - 1.8/6116=24, 4.2/4190=20...(10) HB2 GLN 61 + QB ALA 30 OK 47 100 - 48 - 559/3.6=13, 1529/4.9=10...(10) HB3 ASP 46 - QB ALA 30 lone 5 76 - 7 - 4.6/4456=2, 559/3.6=1 Peak 5306 from cnoeabs.peaks (7.24, 1.55, 30.94 ppm; 5.47 A): 3 out of 4 assignments used, quality = 0.95: HE ARG 54 + HB3 ARG 54 OK 68 68 - 100 - 4.7=100 H ALA 53 + HB3 ARG 54 OK 63 85 - 74 - 207/4.1=29, 4973/4.6=21...(10) H ILE 40 + HB3 ARG 54 OK 62 100 - 62 - 5307/1.8=13, 5949/3.0=12...(16) H ASP 47 - HB3 ARG 54 lone 3 60 - 4 - Peak 5307 from cnoeabs.peaks (7.23, 1.76, 30.94 ppm; 5.49 A): 3 out of 6 assignments used, quality = 0.92: H ALA 53 + HB2 ARG 54 OK 76 97 - 79 - 207/4.1=33, 4973/4.6=25...(13) H ILE 40 + HB2 ARG 54 OK 56 96 - 58 - 5949/3.0=13, 5306/1.8=13...(15) H ILE 40 + HB2 PRO 34 OK 24 45 - 53 - 607/2.3=17, ~1928=12...(11) H ALA 53 - HB2 PRO 34 poor 6 46 - 13 - 4.6/676=2, 4963/2.3=1...(5) H ILE 40 - HB3 ARG 17 lone 2 44 - 5 - H ALA 53 - HB3 ARG 17 lone 2 44 - 4 - Peak 5308 from cnoeabs.peaks (6.93, 1.95, 26.44 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.93: QE PHE 35 + HG LEU 57 OK 78 87 - 90 - ~5742=28, 4579/2.1=21...(19) HZ PHE 35 + HG LEU 57 OK 67 85 - 79 - 4591/2.1=21, ~4579=19...(15) HZ PHE 48 - HG LEU 57 OK 19 81 - 23 - 4591/2.1=9, 4593/2.1=6...(5) HD22 ASN 74 - HG LEU 57 OK 15 73 - 20 - 3.5/5150=7, 3.5/5150=7 HD22 ASN 42 - HG LEU 57 OK 13 97 - 13 - 1.7/4906=2, 3.5/4360=2...(5) Peak 5309 from cnoeabs.peaks (0.50, 3.92, 57.93 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.78: QD2 LEU 52 + HA LEU 62 OK 78 93 - 84 - 5237/4.0=34, 4547=18...(15) Peak 5310 from cnoeabs.peaks (2.61, 0.95, 23.35 ppm; 4.45 A): 5 out of 6 assignments used, quality = 0.91: HG2 MET 31 + QD1 LEU 64 OK 67 92 - 73 - 5021/2.1=15, ~5311=13...(19) HG2 GLN 61 + QD1 LEU 64 OK 35 98 - 35 - ~5311=7, 5021/2.1=5...(10) HB2 ASP 38 + QD1 LEU 64 OK 26 97 - 27 - 4.7/2647=5, ~5021=5...(10) HB3 ASP 38 + QD1 LEU 64 OK 25 96 - 26 - 4.7/2647=5, ~5021=5...(10) HB3 ASP 47 + QD1 LEU 64 OK 22 83 - 27 - 1.8/4446=5, 4.1/4432=3...(11) HB3 ASP 24 - QD1 LEU 64 poor 10 78 - 12 - 1.8/5508=3, ~5311=2, 4.5/5013=2 Peak 5311 from cnoeabs.peaks (2.54, 0.84, 25.67 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.92: HG3 MET 31 + QD2 LEU 64 OK 80 97 - 82 - 1.8/5021=25, 4200=17...(21) HB2 GLN 61 + QD2 LEU 64 OK 53 99 - 54 - 1.8/5161=8, 3.0/4504=8...(20) HB2 ASP 24 + QD2 LEU 64 OK 12 83 - 15 - 4.5/5015=3, 5508/2.1=3...(4) HB3 ASP 46 - QD2 LEU 64 lone 8 95 - 8 - 4.6/4933=3 Peak 5313 from cnoeabs.peaks (8.43, 3.63, 67.03 ppm; 4.13 A): 3 out of 4 assignments used, quality = 0.74: H ILE 68 + HA VAL 65 OK 68 99 - 69 - 5812/3.6=22, 4747=17...(15) H GLU 87 + HA VAL 65 OK 11 99 - 11 - 4.6/5032=1, 2777/4706=1 H ALA 20 + HA VAL 65 OK 11 76 - 14 - 4.5/2654=4, ~3725=1...(4) H GLY 18 - HA VAL 65 poor 7 68 - 10 - 4.7/2654=2, ~4721=1...(5) Peak 5314 from cnoeabs.peaks (0.43, 1.23, 22.65 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.85: QD1 LEU 52 + QG1 VAL 65 OK 85 97 - 88 - 2.1/4728=44, ~4726=28...(21) Peak 5315 from cnoeabs.peaks (0.43, 1.21, 23.08 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.89: QD1 LEU 52 + QG2 VAL 65 OK 89 97 - 91 - 2.1/4726=47, ~4728=33...(23) Peak 5317 from cnoeabs.peaks (6.75, 1.61, 28.78 ppm; 5.37 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5319 from cnoeabs.peaks (8.33, 4.01, 63.89 ppm; 6.10 A): 4 out of 4 assignments used, quality = 0.84: H ASP 24 + HB2 SER 22 OK 72 97 - 75 - 4156=35, 5320/1.8=27...(7) H GLU 19 + HB2 SER 22 OK 21 100 - 21 - 5320/1.8=8, 5501/3.0=5...(5) H LYS 83 + HB2 SER 22 OK 17 95 - 18 - 5320/1.8=6, 5501/3.0=4...(4) H ALA 16 + HB2 SER 22 OK 12 65 - 18 - 5320/1.8=5, 5501/3.0=4...(5) Peak 5320 from cnoeabs.peaks (8.33, 3.89, 63.89 ppm; 5.61 A): 4 out of 4 assignments used, quality = 0.75: H ASP 24 + HB3 SER 22 OK 60 97 - 62 - 4156/1.8=32, 4.6/5084=23...(6) H GLU 19 + HB3 SER 22 OK 18 100 - 18 - 5319/1.8=6, 5501/3.0=4...(5) H LYS 83 + HB3 SER 22 OK 14 95 - 15 - 5319/1.8=5, 5501/3.0=4...(4) H ALA 16 + HB3 SER 22 OK 11 65 - 16 - 4.6/1256=5, 5501/3.0=4...(5) Peak 5321 from cnoeabs.peaks (1.55, 1.34, 17.80 ppm; 4.13 A): 4 out of 10 assignments used, quality = 0.73: HG LEU 64 + QB ALA 28 OK 48 95 - 51 - 2.1/5162=16, ~4173=8...(12) HB3 LEU 29 + QB ALA 28 OK 28 65 - 42 - 4.0/78=17, 3.0/4183=8...(9) HB3 LEU 86 + QB ALA 28 OK 15 97 - 16 - 3.1/4177=4, 547/3.6=2...(4) HG LEU 62 + QB ALA 28 OK 15 95 - 16 - 2.1/5004=3, 547/3.6=2...(4) HG3 ARG 23 - QB ALA 28 lone 9 96 - 10 - 1293/5.0=3, 4759/5302=2 HG2 LYS 39 - QB ALA 28 lone 9 100 - 9 - 4759/5302=2 HB3 ARG 54 - QB ALA 28 lone 9 100 - 9 - 4.6/4838=2, 1.8/4180=1 HG3 ARG 54 - QB ALA 28 lone 5 76 - 7 - 4.8/4838=2, 3.0/4180=1 HG2 ARG 82 - QB ALA 28 lone 3 71 - 4 - HD3 LYS 39 - QB ALA 28 lone 2 60 - 4 - Peak 5322 from cnoeabs.peaks (2.61, 0.71, 10.77 ppm; 4.00 A): 2 out of 6 assignments used, quality = 0.92: HG2 GLN 61 + QD1 ILE 33 OK 79 98 - 81 - 1.8/4224=18, 4665=17...(21) HG2 MET 31 + QD1 ILE 33 OK 61 92 - 66 - 1.8/4225=15, 3.3/5075=12...(21) HB3 ASP 47 - QD1 ILE 33 lone 6 83 - 7 - ~4442=1 HB2 ASP 38 - QD1 ILE 33 lone 6 97 - 6 - HB3 ASP 38 - QD1 ILE 33 lone 6 96 - 6 - HB3 ASP 24 - QD1 ILE 33 lone 5 78 - 7 - 1.8/4225=1 Peak 5323 from cnoeabs.peaks (6.95, 0.89, 26.17 ppm; 5.17 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG LEU 51 OK 96 97 - 98 - 4584/2.1=47, 4580/2.1=46...(15) HZ PHE 35 + HG LEU 51 OK 86 98 - 88 - ~4584=35, ~4580=34...(12) HZ PHE 48 + HG LEU 51 OK 55 99 - 55 - ~6095=27, 4597/2.1=16...(8) HD22 ASN 42 - HG LEU 51 lone 7 89 - 8 - 4528/2.1=2, 4532/2.1=1 Peak 5324 from cnoeabs.peaks (0.89, 1.33, 40.92 ppm; 4.58 A): 3 out of 12 assignments used, quality = 0.98: HG LEU 51 + HB2 LEU 52 OK 81 100 - 81 - 4952/3.1=14, 4550/3.0=13...(23) QD1 LEU 62 + HB2 LEU 52 OK 77 90 - 86 - ~4680=23, ~5237=23...(18) HG LEU 51 + HB2 LEU 51 OK 61 61 - 100 - 3.0=100 QD1 LEU 86 - HB2 LEU 51 OK 32 61 - 52 - 2227/1.8=7, 2248/3.1=6...(22) QD1 LEU 62 - HB2 LEU 51 OK 29 49 - 58 - 2.1/5004=10, 2227/1.8=7...(24) QD1 LEU 29 - HB2 LEU 52 OK 28 97 - 29 - 2.1/4839=4, 4.8/78=4...(10) QD1 LEU 29 - HB2 LEU 51 OK 27 56 - 48 - 2.1/4839=6, 2227/1.8=6...(18) QD1 LEU 86 - HB2 LEU 52 OK 20 100 - 20 - 197/3.9=4, 4952/3.1=3...(6) QG2 VAL 90 - HB2 LEU 51 OK 13 57 - 23 - 2227/1.8=3, 2213/3.0=3...(10) QG1 VAL 90 - HB2 LEU 51 OK 13 56 - 23 - 2227/1.8=3, 2213/3.0=3...(10) QG2 VAL 90 - HB2 LEU 52 OK 13 98 - 13 - 197/3.9=2, 4550/3.0=2...(6) QG1 VAL 90 - HB2 LEU 52 OK 12 97 - 13 - 197/3.9=2, 4550/3.0=2...(6) Peak 5325 from cnoeabs.peaks (1.55, 0.71, 23.03 ppm; 5.07 A): 4 out of 9 assignments used, quality = 0.95: HG LEU 62 + QD2 LEU 57 OK 66 93 - 71 - 5.0/4673=15, 4.3/6070=15...(21) HG LEU 64 + QD2 LEU 57 OK 57 96 - 59 - 3.0/5025=16, 3.0/5026=15...(17) HB3 ARG 54 + QD2 LEU 57 OK 49 100 - 49 - 4563/4989=11, 4.6/5741=8...(19) HG2 LYS 39 + QD2 LEU 57 OK 32 100 - 32 - 5939/5742=10, 4982/3.1=2...(7) HG3 ARG 54 - QD2 LEU 57 OK 30 73 - 41 - 4.8/5741=8, 1.8/5750=4...(17) HB3 LEU 86 - QD2 LEU 57 OK 13 97 - 14 - 5747/4.7=2, 4982/3.1=1...(4) HG3 ARG 23 - QD2 LEU 57 lone 9 97 - 9 - 1.8/4985=1, 2623/5025=1 HB3 LEU 29 - QD2 LEU 57 poor 8 63 - 13 - 3.0/4985=1, 4983/3.1=1...(6) HG2 ARG 82 - QD2 LEU 57 lone 5 73 - 6 - Peak 5326 from cnoeabs.peaks (1.36, 2.23, 36.01 ppm; 4.77 A): 6 out of 66 assignments used, quality = 0.88: QB ALA 20 + HG2 GLU 19 OK 41 87 - 47 - 2.9/30=9, 4.5/1210=9...(13) QB ALA 20 + HG3 GLU 19 OK 41 87 - 47 - 2.9/30=9, 4.5/1210=9...(13) QB ALA 20 + HG3 GLU 87 OK 28 75 - 38 - 2.9/31=6, 4.5/1210=4...(17) QB ALA 20 + HG2 GLU 87 OK 27 73 - 38 - 2.9/31=6, 4.5/1210=4...(17) QB ALA 28 + HG2 GLU 25 OK 21 43 - 49 - 5512/1.8=13, 4181/4.1=9...(13) HG3 ARG 69 + HG3 GLU 50 OK 15 59 - 26 - 4501/4.9=4, ~4938=4...(10) QB ALA 28 - HG3 GLU 50 poor 8 52 - 15 - 4838/4.9=2, ~2198=2...(6) QB ALA 16 - HG2 GLU 25 lone 5 62 - 9 - 5512/1.8=2, 5511/5.0=2 QB ALA 28 - HG3 GLU 19 lone 5 81 - 6 - QB ALA 28 - HG2 GLU 19 lone 5 81 - 6 - QB ALA 20 - HG2 GLU 25 poor 5 48 - 11 - 4.8/5284=2, 4.8/5284=2 HG3 ARG 69 - HG3 GLU 19 lone 5 89 - 5 - HG3 ARG 69 - HG2 GLU 19 lone 5 89 - 5 - QB ALA 77 - HG2 GLU 25 lone 5 50 - 9 - 5512/1.8=2, 5511/5.0=1 QB ALA 20 - HG3 GLU 50 lone 5 57 - 8 - 2.9/30=1, 4501/4.9=1 QB ALA 16 - HG3 GLU 19 lone 4 100 - 4 - QB ALA 16 - HG2 GLU 19 lone 4 100 - 4 - HG2 LYS 83 - HG3 GLU 19 lone 4 98 - 4 - HG2 LYS 83 - HG2 GLU 19 lone 4 98 - 4 - QB ALA 16 - HG3 GLU 87 lone 4 92 - 4 - HB2 LEU 52 - HG3 GLU 50 lone 4 46 - 8 - 4501/4.9=3, ~4955=2 QB ALA 16 - HG2 GLU 87 lone 4 90 - 4 - QB ALA 77 - HG3 GLU 19 lone 4 90 - 4 - QB ALA 77 - HG2 GLU 19 lone 4 90 - 4 - HG3 ARG 69 - HG3 GLU 87 lone 3 77 - 4 - QB ALA 77 - HG3 GLU 50 lone 3 60 - 5 - HG3 ARG 69 - HG2 GLU 87 lone 3 75 - 4 - HG3 ARG 69 - HG2 GLU 25 lone 3 49 - 6 - 5512/1.8=1 HB2 LEU 52 - HG2 GLU 25 lone 3 38 - 8 - 5512/1.8=2, 5511/5.0=2 QB ALA 28 - HG3 GLU 87 lone 2 69 - 3 - QB ALA 28 - HG2 GLU 87 lone 2 67 - 3 - HG2 LYS 83 - HG2 GLU 25 lone 2 58 - 4 - QB ALA 12 - HG2 GLU 19 lone 2 65 - 3 - QB ALA 12 - HG3 GLU 19 lone 2 65 - 3 - QB ALA 77 - HG3 GLU 87 lone 2 78 - 3 - QB ALA 77 - HG2 GLU 87 lone 2 77 - 3 - QB ALA 16 - HG3 GLU 50 lone 2 73 - 2 - HG2 LYS 83 - HG3 GLU 87 lone 2 88 - 2 - QB ALA 78 - HG2 GLU 19 lone 2 63 - 3 - QB ALA 78 - HG3 GLU 19 lone 2 63 - 3 - HG2 LYS 83 - HG2 GLU 87 lone 2 86 - 2 - QB ALA 78 - HG2 GLU 25 lone 2 32 - 6 - ~3746=1 HG2 LYS 85 - HG3 GLU 19 lone 2 87 - 2 - HG2 LYS 85 - HG2 GLU 19 lone 2 87 - 2 - HG2 LYS 83 - HG3 GLU 50 lone 2 69 - 2 - QB ALA 12 - HG3 GLU 87 lone 2 55 - 3 - HG2 LYS 85 - HG2 GLU 25 lone 2 48 - 3 - QB ALA 12 - HG2 GLU 87 lone 1 53 - 3 - HB2 LEU 52 - HG3 GLU 19 lone 1 73 - 2 - HB2 LEU 52 - HG2 GLU 19 lone 1 73 - 2 - HG2 LYS 85 - HG3 GLU 50 lone 1 57 - 2 - QB ALA 78 - HG3 GLU 50 lone 1 39 - 3 - HG3 LYS 73 - HG3 GLU 50 lone 1 39 - 3 - QB ALA 78 - HG3 GLU 87 lone 1 52 - 2 - HG2 LYS 85 - HG3 GLU 87 lone 1 75 - 2 - HB2 LEU 52 - HG3 GLU 87 lone 1 62 - 2 - QB ALA 78 - HG2 GLU 87 lone 1 51 - 2 - QB ALA 12 - HG2 GLU 25 lone 1 33 - 3 - HG2 LYS 85 - HG2 GLU 87 lone 1 73 - 2 - HB2 LEU 52 - HG2 GLU 87 lone 1 60 - 2 - HG3 LYS 73 - HG2 GLU 19 lone 1 63 - 2 - HG3 LYS 73 - HG3 GLU 19 lone 1 63 - 2 - HG3 LYS 73 - HG3 GLU 87 lone 1 52 - 1 - HG3 LYS 73 - HG2 GLU 87 lone 1 51 - 1 - QB ALA 12 - HG3 GLU 50 lone 1 41 - 2 - HG3 LYS 73 - HG2 GLU 25 lone 1 32 - 2 - Peak 5328 from cnoeabs.peaks (0.91, 1.67, 28.78 ppm; 4.41 A): 14 out of 44 assignments used, quality = 0.84: QG2 VAL 41 + HD3 LYS 75 OK 14 68 - 21 - 4347/2.9=2, 4347/2.9=2...(12) QG2 VAL 41 + HD2 LYS 75 OK 14 68 - 21 - 4347/2.9=2, 4347/2.9=2...(12) QG2 VAL 76 + HD3 LYS 75 OK 13 96 - 14 - 5110/3.5=2, ~5435=2...(7) QG2 VAL 76 + HD2 LYS 75 OK 13 96 - 14 - 5110/3.5=2, ~5435=2...(7) QG1 VAL 76 + HD3 LYS 75 OK 13 96 - 14 - 5110/3.5=2, ~5435=2...(7) QG1 VAL 76 + HD2 LYS 75 OK 13 96 - 14 - 5110/3.5=2, ~5435=2...(7) HG LEU 51 + HD3 LYS 75 OK 11 89 - 13 - ~6094=2, 5257/2.9=2...(6) HG LEU 51 + HD2 LYS 75 OK 11 89 - 13 - ~6094=2, 5257/2.9=2...(6) HG12 ILE 68 + HD3 LYS 75 OK 11 96 - 12 - 2.1/5251=2, ~5251=2...(5) HG12 ILE 68 + HD2 LYS 75 OK 11 96 - 12 - 2.1/5251=2, ~5251=2...(5) QG2 ILE 40 + HD2 LYS 75 OK 11 81 - 14 - 4303/3.5=3, 4302/2.9=2...(6) QG2 ILE 40 + HD3 LYS 75 OK 11 81 - 14 - 4303/3.5=3, 4302/2.9=2...(6) QD1 LEU 29 + HD2 LYS 13 OK 11 60 - 18 - 3.1/1487=2, 2.1/1515=2...(7) QD1 LEU 29 + HD3 LYS 13 OK 11 60 - 18 - 3.1/1487=2, 2.1/1515=2...(7) QD1 LEU 29 - HD3 LYS 75 poor 9 60 - 14 - 3.1/1487=2, 2.1/1515=1...(4) QD1 LEU 29 - HD2 LYS 75 poor 9 60 - 14 - 3.1/1487=2, 2.1/1515=1...(4) QG2 ILE 40 - HD2 LYS 13 lone 7 81 - 8 - 4303/3.5=2, 4302/2.9=2, ~5124=2 QG2 ILE 40 - HD3 LYS 13 lone 7 81 - 8 - 4303/3.5=2, 4302/2.9=2, ~5124=2 QD2 LEU 62 - HD2 LYS 13 lone 5 81 - 6 - 4.8/249=1 QD2 LEU 62 - HD3 LYS 13 lone 5 81 - 6 - 4.8/249=1 HG LEU 51 - HD3 LYS 13 lone 5 89 - 5 - HG LEU 51 - HD2 LYS 13 lone 5 89 - 5 - QD2 LEU 62 - HD2 LYS 75 lone 4 81 - 6 - 4.8/249=1 QD2 LEU 62 - HD3 LYS 75 lone 4 81 - 6 - 4.8/249=1 QD1 LEU 86 - HD2 LYS 75 lone 4 81 - 5 - QD1 LEU 86 - HD3 LYS 75 lone 4 81 - 5 - QD1 LEU 86 - HD2 LYS 13 lone 4 81 - 5 - QD1 LEU 86 - HD3 LYS 13 lone 4 81 - 5 - HG12 ILE 68 - HD2 LYS 13 lone 4 96 - 4 - HG12 ILE 68 - HD3 LYS 13 lone 4 96 - 4 - QG2 VAL 41 - HD2 LYS 13 lone 4 68 - 6 - QG2 VAL 41 - HD3 LYS 13 lone 4 68 - 6 - QG1 VAL 76 - HD3 LYS 13 lone 2 96 - 3 - QG1 VAL 76 - HD2 LYS 13 lone 2 96 - 3 - QG2 VAL 76 - HD2 LYS 13 lone 2 96 - 3 - QG2 VAL 76 - HD3 LYS 13 lone 2 96 - 3 - QG1 VAL 90 - HD2 LYS 75 lone 2 98 - 2 - QG1 VAL 90 - HD3 LYS 75 lone 2 98 - 2 - QG2 VAL 90 - HD3 LYS 75 lone 2 97 - 2 - QG2 VAL 90 - HD2 LYS 75 lone 2 97 - 2 - QG1 VAL 90 - HD3 LYS 13 lone 2 98 - 2 - QG1 VAL 90 - HD2 LYS 13 lone 2 98 - 2 - QG2 VAL 90 - HD2 LYS 13 lone 2 97 - 2 - QG2 VAL 90 - HD3 LYS 13 lone 2 97 - 2 - Peak 5329 from cnoeabs.peaks (0.83, 1.67, 28.78 ppm; 4.48 A): 6 out of 28 assignments used, quality = 0.92: QD1 LEU 43 + HD3 LYS 13 OK 47 100 - 47 - 2031/5.4=8, 2033/2.9=6...(19) QD1 LEU 43 + HD2 LYS 13 OK 47 100 - 47 - 2031/5.4=8, 2033/2.9=6...(19) QG2 ILE 89 + HD2 LYS 13 OK 33 97 - 34 - 3616/2.9=4, 3616/2.9=3...(16) QG2 ILE 89 + HD3 LYS 13 OK 33 97 - 34 - 3616/2.9=4, 3616/2.9=3...(16) QD1 ILE 89 + HD2 LYS 13 OK 23 83 - 28 - 5274/2.9=5, 3637/2.9=3...(9) QD1 ILE 89 + HD3 LYS 13 OK 23 83 - 28 - 5274/2.9=5, 3637/2.9=3...(9) QD2 LEU 29 - HD2 LYS 13 OK 20 93 - 21 - 3.1/1487=2, 1515/1.8=2...(9) QD2 LEU 29 - HD3 LYS 13 OK 20 93 - 21 - 3.1/1487=2, 1515/1.8=2...(9) QD2 LEU 29 - HD3 LYS 75 OK 16 93 - 17 - 3.1/1487=2, 1515/1.8=1...(7) QD2 LEU 29 - HD2 LYS 75 OK 16 93 - 17 - 3.1/1487=2, 1515/1.8=1...(7) QD2 LEU 64 - HD2 LYS 13 OK 13 93 - 14 - 5029/2.9=2, 5161/1.8=2...(5) QD2 LEU 64 - HD3 LYS 13 OK 13 93 - 14 - 5029/2.9=2, 5161/1.8=2...(5) QD1 ILE 89 - HD2 LYS 75 OK 12 83 - 15 - 5274/2.9=3, 5274/2.9=3 QD1 ILE 89 - HD3 LYS 75 OK 12 83 - 15 - 5274/2.9=3, 5274/2.9=3 QG2 ILE 89 - HD3 LYS 75 OK 12 97 - 12 - 3613/3.5=2, ~5274=2 QG2 ILE 89 - HD2 LYS 75 OK 12 97 - 12 - 3613/3.5=2, ~5274=2 QG2 ILE 68 - HD2 LYS 75 OK 12 78 - 15 - 4763/4.7=2, 4755/2.9=2...(7) QG2 ILE 68 - HD3 LYS 75 OK 12 78 - 15 - 4763/4.7=2, 4755/2.9=2...(7) QD2 LEU 64 - HD3 LYS 75 poor 10 93 - 11 - 5111/3.5=2, 5027/4.7=1...(4) QD2 LEU 64 - HD2 LYS 75 poor 10 93 - 11 - 5111/3.5=2, 5027/4.7=1...(4) QD1 LEU 43 - HD2 LYS 75 lone 9 100 - 9 - 5357/4.7=2, 5111/3.5=1 QD1 LEU 43 - HD3 LYS 75 lone 9 100 - 9 - 5357/4.7=2, 5111/3.5=1 QD2 LEU 86 - HD2 LYS 13 lone 7 100 - 7 - QD2 LEU 86 - HD3 LYS 13 lone 7 100 - 7 - QD2 LEU 86 - HD2 LYS 75 lone 7 100 - 7 - QD2 LEU 86 - HD3 LYS 75 lone 7 100 - 7 - QG2 ILE 68 - HD2 LYS 13 lone 4 78 - 6 - QG2 ILE 68 - HD3 LYS 13 lone 4 78 - 6 - Peak 5332 from cnoeabs.peaks (8.36, 4.17, 69.96 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: H ALA 16 + HB THR 15 OK 100 100 - 100 - 4.4=100 H ASP 24 - HB THR 15 poor 9 89 - 10 - 3713/3.0=3, 3715/2.1=3...(4) H VAL 65 - HB THR 15 lone 5 63 - 7 - 3.6/1133=2, 3713/3.0=2 H ARG 17 - HB THR 15 lone 3 78 - 4 - 3713/3.0=1 Peak 5341 from cnoeabs.peaks (8.13, 4.13, 58.01 ppm; 4.40 A): 3 out of 14 assignments used, quality = 0.64: H ARG 26 + HA ARG 27 OK 46 74 - 63 - 5380/3.0=25, 5345=22...(15) H THR 88 + HA ARG 27 OK 23 74 - 31 - 873=9, 5380/3.0=6...(6) H ARG 26 + HA ARG 23 OK 14 100 - 14 - 5345=5, 4.6/534=3 H THR 88 - HA ARG 23 lone 9 100 - 9 - 873=3, 4.6/409=1...(4) H ARG 71 - HA ARG 27 poor 8 38 - 22 - 5380/3.0=7, ~61=3...(4) H ARG 71 - HA ARG 23 lone 3 60 - 5 - H ASN 74 - HA ARG 27 lone 3 60 - 5 - 5380/3.0=1 H ASN 74 - HA ARG 23 lone 2 89 - 3 - H LEU 57 - HA ARG 27 lone 2 61 - 4 - 5380/3.0=1 H LEU 57 - HA ARG 23 lone 2 90 - 2 - H ALA 78 - HA ARG 27 lone 2 66 - 3 - H LYS 85 - HA ARG 27 lone 2 36 - 4 - 5380/3.0=1 H ALA 78 - HA ARG 23 lone 1 95 - 1 - H LYS 85 - HA ARG 23 lone 1 57 - 2 - Peak 5344 from cnoeabs.peaks (4.13, 1.88, 29.99 ppm; 3.48 A): 4 out of 48 assignments used, quality = 0.92: HA ARG 27 + HB3 ARG 27 OK 48 48 - 100 - 3.0=100 HA ARG 27 + HB3 ARG 26 OK 46 93 - 50 - 5345/3.9=8, 3.0/63=7...(21) HA ARG 27 + HB2 ARG 26 OK 46 93 - 50 - 5345/3.9=8, 3.0/63=7...(21) HA ARG 27 + HB2 ARG 27 OK 46 46 - 100 - 3.0=100 HA ALA 30 - HB3 ARG 26 OK 19 99 - 20 - 3.0/4194=4, 2.1/5537=3...(7) HA ALA 30 - HB2 ARG 26 OK 19 99 - 20 - 3.0/4194=4, 2.1/5537=3...(7) HA ALA 30 - HB3 ARG 27 OK 17 55 - 31 - ~5388=8, ~4807=6...(10) HA ALA 30 - HB2 ARG 27 OK 16 52 - 31 - ~5388=8, ~4807=6...(10) HA ARG 23 - HB3 ARG 27 OK 13 56 - 23 - 534/4.1=2, ~508=2...(12) HA ARG 23 - HB2 ARG 27 OK 12 54 - 23 - 534/4.1=2, ~508=2...(12) HA ARG 27 - HB3 ARG 71 OK 12 45 - 26 - ~65=2, 3.0/62=2, ~61=2...(9) HA ARG 27 - HB2 ARG 71 OK 11 43 - 26 - ~65=2, 3.0/62=2, ~61=2...(9) HA GLN 91 - HB2 ARG 26 lone 10 100 - 10 - 5345/3.9=2, 3661/1.8=2, 3661=1 HA GLN 91 - HB3 ARG 26 lone 10 100 - 10 - 5345/3.9=2, 3661/1.8=2, 3661=1 HA GLN 91 - HB3 GLU 87 poor 8 46 - 18 - 3661=3, 3662/1.8=3, 2.9/889=2 HA ALA 30 - HB2 ARG 66 lone 8 99 - 8 - 3.0/4194=2, 2.1/5537=1 HA ARG 23 - HB3 ARG 26 lone 7 100 - 7 - 5341/3.9=2, 534/4.6=2 HA ARG 23 - HB2 ARG 26 lone 7 100 - 7 - 5341/3.9=2, 534/4.6=2 HA ARG 27 - HB2 ARG 66 lone 7 92 - 7 - HA ALA 30 - HB3 ARG 71 poor 6 52 - 12 - 2.1/5537=2, ~5388=2...(6) HA ALA 30 - HB2 ARG 71 poor 6 50 - 12 - 2.1/5537=2, ~5388=2...(6) HA ARG 23 - HB2 ARG 66 lone 5 99 - 5 - HB THR 88 - HB2 ARG 26 lone 5 97 - 5 - 3589/3.9=1, 534/4.6=1 HB THR 88 - HB3 ARG 26 lone 5 97 - 5 - 3589/3.9=1, 534/4.6=1 HA ARG 23 - HB3 ARG 71 lone 4 53 - 8 - HA ARG 23 - HB2 ARG 71 lone 4 51 - 8 - HB THR 88 - HB3 ARG 27 lone 4 52 - 7 - ~3595=2, 534/4.1=2, ~3587=1 HB THR 88 - HB2 ARG 27 lone 4 50 - 7 - ~3595=2, 534/4.1=2, ~3587=1 HA GLN 91 - HB2 ARG 66 lone 2 99 - 2 - HA ARG 27 - HB3 GLU 87 lone 2 39 - 5 - 5341/4.6=3 HB THR 88 - HB3 GLU 87 lone 1 42 - 4 - 3.9/1374=1 HA ASN 49 - HB3 ARG 26 lone 1 98 - 1 - HA ASN 49 - HB2 ARG 26 lone 1 98 - 1 - HA GLN 91 - HB3 ARG 27 lone 1 56 - 2 - HA GLN 91 - HB2 ARG 27 lone 1 53 - 2 - HA ARG 23 - HB3 GLU 87 lone 1 46 - 2 - 5341/4.6=1 HA ASN 49 - HB3 ARG 27 lone 1 53 - 2 - HA ASN 49 - HB2 ARG 27 lone 1 51 - 2 - HA ALA 30 - HB3 GLU 87 lone 1 45 - 2 - HB THR 88 - HB2 ARG 66 lone 1 96 - 1 - HA ASN 49 - HB2 ARG 66 lone 1 97 - 1 - HB THR 88 - HB3 ARG 71 lone 1 49 - 1 - HA ASN 49 - HB3 GLU 87 lone 1 43 - 1 - HB THR 88 - HB2 ARG 71 lone 1 47 - 1 - HA GLN 91 - HB3 ARG 71 lone 0 53 - 1 - HA GLN 91 - HB2 ARG 71 lone 0 51 - 1 - HA ASN 49 - HB3 ARG 71 lone 0 50 - 1 - HA ASN 49 - HB2 ARG 71 lone 0 48 - 1 - Peak 5346 from cnoeabs.peaks (4.48, 1.63, 27.31 ppm; 4.61 A): 8 out of 36 assignments used, quality = 0.93: HA ASP 67 + HG3 ARG 70 OK 49 73 - 68 - 5052/1.8=21, 4792/4.9=14...(17) HA ASP 24 + HG2 ARG 27 OK 43 97 - 45 - 5383/5.0=16, 4157/2.9=8...(12) HA ASP 24 + HG3 ARG 27 OK 43 97 - 45 - 5383/5.0=16, 4157/2.9=8...(12) HA ASP 24 + HG2 ARG 26 OK 23 84 - 28 - 4169/4.9=12, 4157/3.0=4...(8) HA ASP 67 + HG2 ARG 26 OK 13 89 - 15 - 4169/4.9=4, 5050=2...(7) HA ASP 24 + HG3 ARG 70 OK 12 68 - 18 - 5052/1.8=5, 5838/5.0=4...(5) HA ASP 67 + HG2 ARG 27 OK 12 100 - 11 - 5383/5.0=3, 5050/1.8=1...(4) HA ASP 67 + HG3 ARG 27 OK 12 100 - 11 - 5383/5.0=3, 5050/1.8=1...(4) HA ASP 46 - HG3 ARG 70 poor 9 60 - 15 - 5052/1.8=5, 5838/5.0=3...(6) HA TYR 81 - HG3 ARG 70 poor 7 59 - 11 - 5052/1.8=3, 4792/4.9=2...(5) HA SER 22 - HG2 ARG 27 lone 6 60 - 10 - 5503/3.8=2, ~5499=2, ~5497=1 HA SER 22 - HG3 ARG 27 lone 6 60 - 10 - 5503/3.8=2, ~5499=2, ~5497=1 HA ASP 46 - HG2 ARG 27 lone 5 90 - 5 - 5383/5.0=2 HA ASP 46 - HG3 ARG 27 lone 5 90 - 5 - 5383/5.0=2 HA PRO 14 - HG2 ARG 26 lone 5 64 - 7 - 1095/3.0=2, 1095/3.0=2, ~1102=1 HA ASP 46 - HG2 ARG 26 lone 4 76 - 6 - 4169/4.9=2 HA PRO 14 - HG3 ARG 70 lone 4 50 - 8 - 4792/4.9=2, 5052/1.8=2 HA ASP 67 - HG3 ARG 17 lone 4 83 - 4 - HA ASP 67 - HG2 ARG 17 lone 4 82 - 4 - HA ASP 24 - HG3 ARG 17 lone 3 78 - 4 - HA ASP 24 - HG2 ARG 17 lone 3 77 - 4 - HA SER 22 - HG3 ARG 70 lone 3 37 - 7 - 4792/4.9=1 HA PRO 14 - HG2 ARG 27 lone 2 78 - 3 - HA PRO 14 - HG3 ARG 27 lone 2 78 - 3 - HA TYR 81 - HG2 ARG 27 lone 2 89 - 3 - HA TYR 81 - HG3 ARG 27 lone 2 89 - 3 - HA TYR 81 - HG2 ARG 26 lone 2 74 - 2 - HA ASP 46 - HG3 ARG 17 lone 2 70 - 2 - HA SER 22 - HG2 ARG 26 lone 2 48 - 3 - HA ASP 46 - HG2 ARG 17 lone 2 68 - 2 - HA SER 22 - HG3 ARG 17 lone 1 43 - 3 - HA SER 22 - HG2 ARG 17 lone 1 42 - 3 - HA TYR 81 - HG3 ARG 17 lone 1 68 - 2 - HA TYR 81 - HG2 ARG 17 lone 1 67 - 2 - HA PRO 14 - HG3 ARG 17 lone 1 58 - 2 - HA PRO 14 - HG2 ARG 17 lone 1 57 - 2 - Peak 5348 from cnoeabs.peaks (4.07, 1.72, 41.88 ppm; 3.93 A): 5 out of 5 assignments used, quality = 0.88: HA ALA 63 + HB2 LEU 29 OK 57 95 - 61 - 3.0/3764=9, 4186/1.8=6...(28) HA ARG 71 + HB2 LEU 29 OK 31 100 - 31 - 4184/4.0=5, 5395=4...(11) HA ARG 26 + HB2 LEU 29 OK 29 99 - 29 - 5395=5, 5394/1.8=4...(10) HA VAL 90 + HB2 LEU 29 OK 27 100 - 26 - 4186/1.8=3, 4184/4.0=3...(11) HA GLU 25 + HB2 LEU 29 OK 18 93 - 20 - 4184/4.0=5, 5387/4.6=4...(7) Peak 5349 from cnoeabs.peaks (4.06, 0.84, 23.57 ppm; 4.53 A): 5 out of 14 assignments used, quality = 0.94: HA ALA 63 + QD2 LEU 29 OK 69 100 - 69 - 5348/3.1=12, 2.1/4681=10...(23) HA ARG 26 + QD2 LEU 29 OK 39 100 - 39 - 5348/3.1=6, ~5516=4...(12) HA GLU 59 + QD2 LEU 29 OK 31 85 - 37 - 4639/2.1=9, 5929/2.1=5...(10) HA ARG 71 + QD2 LEU 29 OK 31 96 - 32 - 5348/3.1=6, 4184/4.8=4...(9) HA VAL 90 + QD2 LEU 29 OK 30 96 - 31 - 5348/3.1=6, 3.0/414=5...(10) HA ALA 63 - QD2 LEU 86 OK 23 87 - 27 - 2.1/4681=4, 3.6/732=3...(11) HA GLU 25 - QD2 LEU 29 OK 23 71 - 33 - 4.1/4165=5, 4.1/4804=5...(12) HA VAL 90 - QD2 LEU 86 OK 21 80 - 26 - 3.0/414=5, ~3520=3...(9) HD2 PRO 44 - QD2 LEU 29 OK 18 68 - 27 - 1.8/4405=4, ~4924=3...(10) HA ARG 26 - QD2 LEU 86 OK 16 86 - 19 - 3.6/5521=3, ~5516=2...(6) HA ARG 71 - QD2 LEU 86 OK 12 80 - 15 - 5394/3.1=1, 4805/2.1=1...(4) HA GLU 59 - QD2 LEU 86 poor 8 68 - 12 - 4639/2.1=3, 4638/2.1=2 HD2 PRO 44 - QD2 LEU 86 poor 7 53 - 12 - 1.8/4405=2, 4.8/2014=1...(5) HA GLU 25 - QD2 LEU 86 lone 5 55 - 10 - 4.1/4804=1 Peak 5350 from cnoeabs.peaks (3.96, 2.07, 32.66 ppm; 4.15 A): 3 out of 30 assignments used, quality = 0.96: HA GLN 61 + HB3 MET 31 OK 75 100 - 76 - 3.0/1541=11, ~1535=9...(26) HA VAL 76 + HB VAL 76 OK 64 64 - 100 - 3.0=100 HA ALA 28 + HB3 MET 31 OK 59 100 - 60 - 5530/3.0=14, 4176/1.8=8...(14) HA GLU 50 - HB3 MET 31 OK 35 100 - 35 - 4203/1.8=4, 2526/3.0=4...(14) HA LYS 32 - HB3 MET 31 OK 35 93 - 37 - ~90=12, 3.0/3773=9...(8) HA VAL 76 - HB3 MET 31 OK 31 100 - 31 - 4203/1.8=3, 4201/3.0=3...(13) HA ARG 66 - HB3 MET 31 OK 23 93 - 25 - 2677/1.8=3, 3.0/1538=3...(12) HA GLN 61 - HB3 PRO 44 OK 17 46 - 36 - 2529/2.3=8, ~2537=6...(9) HA2 GLY 21 - HB3 MET 31 OK 16 97 - 17 - 3.5/4152=2, 4203/1.8=2...(8) HA3 GLY 21 - HB3 MET 31 OK 16 96 - 17 - 3.5/4152=2, 4203/1.8=2...(8) HA ALA 28 - HB VAL 76 OK 14 64 - 22 - 3761/4.0=3, 2.1/5531=2...(11) HA2 GLY 72 - HB VAL 76 OK 12 65 - 19 - 4796/2.1=4, 4796/2.1=4...(8) HA2 GLY 72 - HB3 MET 31 lone 9 100 - 8 - 4193/4.0=1, 4203/1.8=1 HA GLU 50 - HB VAL 76 poor 8 65 - 12 - 812/4.0=1, 349/4.4=1 HA GLN 61 - HB VAL 76 poor 8 65 - 12 - 812/4.0=2 HA LYS 32 - HB VAL 76 poor 6 56 - 11 - 812/4.0=2, 3.0/92=1, ~3156=1 HA ARG 66 - HB VAL 76 poor 6 56 - 11 - 812/4.0=2, ~4732=1...(5) HA THR 37 - HB3 PRO 44 poor 6 24 - 24 - 3.0/115=4, 4886/2.3=4...(8) HA2 GLY 21 - HB VAL 76 lone 5 59 - 9 - 349/4.4=2, 3.5/4152=1 HA3 GLY 21 - HB VAL 76 lone 5 58 - 9 - 349/4.4=2, 3.5/4152=1 HA THR 37 - HB3 MET 31 lone 5 65 - 8 - HA GLU 50 - HB3 PRO 44 poor 5 47 - 10 - 2529/2.3=2 HA VAL 76 - HB3 PRO 44 lone 3 46 - 7 - HA ALA 28 - HB3 PRO 44 lone 3 46 - 6 - HA THR 37 - HB VAL 76 lone 2 35 - 5 - HA LYS 32 - HB3 PRO 44 lone 2 39 - 4 - 3.0/92=1 HA2 GLY 21 - HB3 PRO 44 lone 1 42 - 3 - HA3 GLY 21 - HB3 PRO 44 lone 1 41 - 3 - HA2 GLY 72 - HB3 PRO 44 lone 1 47 - 2 - HA ARG 66 - HB3 PRO 44 lone 1 39 - 2 - Peak 5351 from cnoeabs.peaks (6.32, 0.71, 10.77 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.94: H PHE 35 + QD1 ILE 33 OK 94 99 - 95 - 4248/3.2=48, 5547/3.2=32...(16) Peak 5352 from cnoeabs.peaks (0.70, 1.04, 26.58 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.97: QD1 ILE 33 + HG3 PRO 34 OK 89 99 - 89 - 4851/2.3=29, 4860/1.8=20...(29) QD2 LEU 57 + HG3 PRO 34 OK 77 97 - 79 - 4603/2.3=30, 4605/2.3=25...(24) Peak 5353 from cnoeabs.peaks (0.61, 2.91, 38.77 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 51 + HB3 PHE 35 OK 92 94 - 97 - 4534/2.6=40, 2.1/4865=36...(19) Peak 5355 from cnoeabs.peaks (1.93, 4.28, 56.69 ppm; 3.80 A): 4 out of 10 assignments used, quality = 0.71: HB VAL 41 + HA ASP 38 OK 41 100 - 41 - 3.9/4287=10, 2.1/4891=9...(9) HG13 ILE 68 + HA ASP 38 OK 28 98 - 28 - 1.8/4890=6, 3.2/4891=6...(9) HB2 MET 31 + HA ASP 38 OK 18 100 - 18 - 1534/3.0=4, 1534/3.0=4...(6) HG12 ILE 40 + HA ASP 38 OK 17 63 - 27 - 4.6/5592=10, 3.2/4890=6...(6) HB3 ARG 66 - HA ASP 38 lone 4 98 - 4 - HB2 GLU 19 - HA ASP 38 lone 3 76 - 3 - HG LEU 57 - HA ASP 38 lone 2 78 - 2 - HB3 GLU 87 - HA ASP 38 lone 2 71 - 2 - HB3 ARG 70 - HA ASP 38 lone 1 78 - 1 - HB2 ARG 70 - HA ASP 38 lone 1 78 - 1 - Peak 5356 from cnoeabs.peaks (2.58, 0.83, 26.57 ppm; 4.69 A): 2 out of 4 assignments used, quality = 0.94: HB3 ASP 47 + QD1 LEU 43 OK 91 99 - 92 - 1.8/4914=32, ~4907=24...(18) HB3 ASP 24 + QD1 LEU 43 OK 31 100 - 31 - ~5508=6, 4381/3.1=6...(9) HG2 GLN 61 - QD1 LEU 43 OK 27 89 - 31 - 4381/3.1=6, 4380/3.1=5...(11) HB2 ASP 24 - QD1 LEU 43 OK 16 60 - 26 - 5508/2.1=5, ~4389=5...(7) Peak 5357 from cnoeabs.peaks (4.24, 0.83, 26.57 ppm; 4.30 A): 5 out of 11 assignments used, quality = 0.87: HA LEU 64 + QD1 LEU 43 OK 63 83 - 77 - 2618/2.1=11, 2617=10...(25) HA LYS 39 + QD1 LEU 43 OK 33 97 - 34 - 6081/4.8=8, 3.6/4295=5...(8) HA LYS 85 + QD1 LEU 43 OK 29 97 - 30 - 4390/2.1=4, 3.0/2032=3...(12) HA LYS 83 + QD1 LEU 43 OK 14 100 - 14 - 4390/2.1=2, 4371/4.8=1 HA LYS 75 + QD1 LEU 43 OK 11 100 - 11 - 4390/2.1=1, 3.0/5111=1 HB THR 37 - QD1 LEU 43 lone 6 89 - 7 - HA THR 15 - QD1 LEU 43 lone 5 99 - 5 - ~5906=1, 4390/2.1=1 HA ALA 77 - QD1 LEU 43 lone 3 99 - 3 - HA GLU 19 - QD1 LEU 43 lone 3 89 - 4 - HA ALA 20 - QD1 LEU 43 lone 3 81 - 3 - HA ALA 12 - QD1 LEU 43 lone 2 87 - 3 - Peak 5360 from cnoeabs.peaks (4.49, 2.68, 37.13 ppm; 4.27 A): 3 out of 4 assignments used, quality = 0.90: HA ASP 46 + HB3 ASN 49 OK 73 100 - 73 - 4488/1.8=18, 4489/4.0=15...(15) HA ASP 67 + HB3 ASN 49 OK 51 97 - 52 - 4488/1.8=13, 5359/3.5=8...(13) HA ASP 24 + HB3 ASN 49 OK 29 100 - 28 - 4488/1.8=7, 5359/3.5=5...(7) HA TYR 81 - HB3 ASN 49 lone 1 63 - 2 - Peak 5361 from cnoeabs.peaks (7.06, 0.51, 22.90 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.91: QD PHE 48 + QD2 LEU 52 OK 89 100 - 89 - 2.2/4540=41, 4959/2.1=32...(15) QD TYR 81 + QD2 LEU 52 OK 14 92 - 15 - 4959/2.1=6, 4537/2.1=4...(4) Peak 5362 from cnoeabs.peaks (0.99, 0.44, 24.59 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 57 + QD1 LEU 52 OK 98 99 - 99 - 4613/2.1=49, 5154=49...(26) QG1 VAL 45 + QD1 LEU 52 OK 58 100 - 58 - 4482/5668=14...(9) Peak 5363 from cnoeabs.peaks (7.32, 3.03, 43.51 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.91: QD TYR 55 + HD2 ARG 54 OK 71 76 - 93 - 4563/3.6=33, 4968/3.0=25...(20) QD TYR 55 + HD3 ARG 54 OK 71 76 - 93 - 4563/3.6=33, 4968/3.0=25...(20) Peak 5364 from cnoeabs.peaks (0.92, 4.04, 60.18 ppm; 3.95 A): 2 out of 9 assignments used, quality = 0.71: QD2 LEU 62 + HA GLU 59 OK 64 99 - 65 - 2.1/4639=18, 3.1/4637=16...(9) QD2 LEU 43 + HA GLU 59 OK 18 81 - 22 - 3.1/4637=4, 4387=3...(7) QG2 ILE 40 - HA GLU 59 lone 7 99 - 7 - HG12 ILE 68 - HA GLU 59 lone 5 100 - 5 - QG2 VAL 41 - HA GLU 59 lone 5 97 - 5 - QG2 VAL 76 - HA GLU 59 lone 4 100 - 4 - 3.9/6099=1 QG1 VAL 76 - HA GLU 59 lone 4 100 - 4 - 3.9/6099=1 QG1 VAL 90 - HA GLU 59 lone 1 73 - 1 - QG2 VAL 90 - HA GLU 59 lone 1 71 - 1 - Peak 5365 from cnoeabs.peaks (4.03, 0.87, 24.45 ppm; 3.26 A): 7 out of 18 assignments used, quality = 0.80: HA GLU 59 + QD1 LEU 62 OK 44 87 - 51 - 4639=14, 5364/2.1=12...(10) HA GLU 59 + QD1 LEU 29 OK 21 85 - 25 - 4639=7, 4639/2.1=3...(11) HA PHE 48 + QD1 LEU 29 OK 17 99 - 18 - 4468/2.1=3, 4463/3.1=2...(8) HA ARG 54 + QD1 LEU 62 OK 16 85 - 19 - 2302/2.1=2, 5366/3.1=2...(6) HA PHE 48 + QD1 LEU 62 OK 14 100 - 14 - 4467/2.1=3, 4464/3.1=2...(5) HD2 PRO 44 + QD1 LEU 62 OK 14 97 - 14 - 4401/2.1=3, 4678/3.1=2...(4) HA PHE 48 + QD1 LEU 86 OK 10 90 - 11 - 4468/2.1=2, 4464/2.1=1 HD2 PRO 44 - QD1 LEU 29 poor 9 95 - 10 - ~4405=1, 4925/3.1=1...(4) HA ARG 70 - QD1 LEU 29 poor 9 69 - 14 - 3.6/5367=2, 2844/3.1=1...(4) HA GLU 59 - QD1 LEU 86 poor 7 73 - 10 - 4639=3 HA ARG 70 - QD1 LEU 62 lone 6 71 - 9 - 3.6/5367=1 HA ARG 70 - QD1 LEU 86 lone 5 58 - 9 - HA ARG 54 - QD1 LEU 86 lone 4 71 - 6 - HD2 PRO 44 - QD1 LEU 86 lone 4 84 - 4 - HA ARG 54 - QD1 LEU 29 lone 3 83 - 4 - HB2 SER 22 - QD1 LEU 62 lone 2 90 - 2 - HB2 SER 22 - QD1 LEU 29 lone 1 88 - 2 - HB2 SER 22 - QD1 LEU 86 lone 1 76 - 2 - Peak 5366 from cnoeabs.peaks (4.03, 1.59, 41.88 ppm; 3.72 A): 6 out of 24 assignments used, quality = 0.92: HA GLU 59 + HB3 LEU 62 OK 62 97 - 64 - 4637/1.8=18, 4638=14...(9) HA ALA 63 + HB3 LEU 62 OK 34 63 - 54 - 4678/1.8=10, 3.0/257=8...(18) HA GLU 59 + HB3 LEU 29 OK 28 94 - 30 - 4638=7, 4639/3.1=6...(9) HA ALA 63 + HB3 LEU 29 OK 26 60 - 43 - 3.0/257=6, ~3764=5...(21) HA PHE 48 + HB3 LEU 29 OK 25 98 - 26 - 4464=4, 4468/3.1=3...(10) HA ARG 54 + HB3 LEU 62 OK 23 68 - 34 - 3.6/5778=3, 5365/3.1=3...(15) HA PHE 48 - HB3 LEU 62 OK 21 100 - 22 - 4464=3, 4678/1.8=3...(7) HD2 PRO 44 - HB3 LEU 62 OK 19 100 - 19 - 4678/1.8=4, 4679/3.1=3...(6) HD2 PRO 44 - HB3 LEU 29 OK 14 98 - 14 - ~4924=2, 4925/1.8=2...(6) HA PHE 48 - HB2 LEU 86 poor 7 57 - 13 - 4468/3.1=2, 5365/3.1=2...(5) HA PHE 48 - HB3 LEU 86 poor 7 59 - 12 - 4468/3.1=2, 5365/3.1=2...(5) HA GLU 59 - HB3 LEU 86 lone 5 55 - 9 - 4639/3.1=2, 4638=2, 4638/3.0=1 HA ARG 54 - HB3 LEU 29 lone 5 65 - 7 - 3.6/5778=1 HA GLU 59 - HB2 LEU 86 lone 4 52 - 8 - 4639/3.1=2, 4638/1.8=1 HA ALA 63 - HB2 LEU 86 poor 4 29 - 13 - ~260=2, ~4681=2, ~258=1 HA ALA 63 - HB3 LEU 86 poor 4 31 - 12 - 3.0/258=2, ~260=2, ~4681=2 HD2 PRO 44 - HB3 LEU 86 lone 3 60 - 5 - HD2 PRO 44 - HB2 LEU 86 lone 3 57 - 4 - HA ARG 54 - HB3 LEU 86 lone 2 34 - 7 - HA ARG 54 - HB2 LEU 86 lone 2 32 - 7 - HB2 SER 22 - HB3 LEU 62 lone 2 76 - 3 - HB2 SER 22 - HB3 LEU 29 lone 1 72 - 2 - HB2 SER 22 - HB2 LEU 86 lone 1 37 - 2 - HB2 SER 22 - HB3 LEU 86 lone 0 39 - 1 - Peak 5367 from cnoeabs.peaks (8.13, 0.87, 24.45 ppm; 4.63 A): 8 out of 21 assignments used, quality = 0.87: H ARG 26 + QD1 LEU 29 OK 38 98 - 39 - 5516=8, 5516/2.1=4...(16) H ARG 26 + QD1 LEU 62 OK 34 100 - 34 - 5516=8, 5962/2.1=7...(11) H ARG 71 + QD1 LEU 29 OK 27 80 - 33 - 307/3.1=4, ~5348=4...(14) H ARG 71 + QD1 LEU 62 OK 19 83 - 23 - 5834/2.1=4, 779/3.1=3...(7) H LEU 57 + QD1 LEU 62 OK 17 71 - 24 - 4597/2.1=9, 5747/2.1=7...(5) H ARG 26 + QD1 LEU 86 OK 15 89 - 17 - 5516=4, 5899/4.9=2...(5) H ARG 71 + QD1 LEU 86 OK 12 69 - 17 - 5899/4.9=2, 5835/2.1=2...(5) H THR 88 + QD1 LEU 86 OK 10 89 - 11 - 402/4.0=4, 3.6/3542=2 H LYS 85 - QD1 LEU 29 poor 8 78 - 10 - 3.6/1481=1, 851/3.1=1...(4) H ASN 74 - QD1 LEU 62 lone 6 68 - 9 - 5962/2.1=3, 3.6/1481=2, 5516=1 H ASN 74 - QD1 LEU 29 lone 5 66 - 8 - 3.6/1481=3, 4.5/3767=1 H LYS 85 - QD1 LEU 86 lone 5 67 - 8 - 5899/4.9=3 H THR 88 - QD1 LEU 29 lone 5 98 - 5 - 4.6/5919=1 H THR 88 - QD1 LEU 62 lone 5 100 - 5 - 4.6/5919=1 H LEU 57 - QD1 LEU 29 lone 4 69 - 6 - 5747/3.1=1 H LEU 57 - QD1 LEU 86 lone 4 58 - 7 - 5747/3.1=1, 4597=1, 3.8/4598=1 H LYS 85 - QD1 LEU 62 lone 4 81 - 4 - H ASN 74 - QD1 LEU 86 lone 3 55 - 5 - 3.6/1481=1 H ALA 78 - QD1 LEU 62 lone 2 78 - 3 - 5962/2.1=1 H ALA 78 - QD1 LEU 86 lone 1 65 - 2 - H ALA 78 - QD1 LEU 29 lone 1 76 - 2 - Peak 5369 from cnoeabs.peaks (1.87, 4.06, 55.02 ppm; 4.37 A): 6 out of 15 assignments used, quality = 0.90: HB2 ARG 66 + HA ALA 63 OK 67 100 - 67 - 4.0/4691=24, 1.8/4684=15...(11) HB3 ARG 71 + HA ALA 63 OK 23 85 - 27 - 2.8/2929=3, 4.0/775=3...(9) HB2 ARG 26 + HA ALA 63 OK 23 99 - 23 - 3.0/1391=3, 3.5/4686=3...(12) HB3 ARG 26 + HA ALA 63 OK 23 99 - 23 - 3.0/1391=3, 3.5/4686=3...(11) HB2 ARG 71 + HA ALA 63 OK 22 83 - 27 - 2.8/2929=3, 4.0/775=3...(9) HB ILE 68 + HA ALA 63 OK 19 73 - 26 - 2.9/4684=5, 3935/3.0=3...(13) HB2 LYS 39 - HA ALA 63 poor 9 87 - 10 - 1842/3.6=4, 4.0/3912=1, ~4690=1 HB3 ARG 27 - HA ALA 63 lone 7 85 - 8 - 4.1/61=1 HB2 ARG 27 - HA ALA 63 lone 7 83 - 8 - 4.1/61=1 HB3 PRO 14 - HA ALA 63 lone 5 93 - 5 - HB2 MET 11 - HA ALA 63 lone 4 96 - 5 - 1.8/5370=1 HB3 ARG 23 - HA ALA 63 lone 3 71 - 5 - HB2 ARG 23 - HA ALA 63 lone 3 68 - 5 - HB3 PRO 34 - HA ALA 63 lone 2 100 - 2 - HB2 GLN 91 - HA ALA 63 lone 2 73 - 3 - 3.6/419=1 Peak 5370 from cnoeabs.peaks (2.01, 4.06, 55.02 ppm; 4.62 A): 4 out of 17 assignments used, quality = 0.81: HG2 ARG 66 + HA ALA 63 OK 67 100 - 67 - 4.9/4691=22, 2.8/4684=14...(10) QE MET 31 + HA ALA 63 OK 20 78 - 26 - 5082/3.6=16, 5071/2.1=3...(4) HG LEU 43 + HA ALA 63 OK 15 76 - 20 - ~4681=4, 3.0/4376=3...(8) HB VAL 90 + HA ALA 63 OK 14 99 - 14 - 3645=2, 3.9/883=2...(6) HD3 ARG 69 - HA ALA 63 lone 8 85 - 9 - 6.3/2606=1, 743/4691=1, ~2816=1 HD2 ARG 69 - HA ALA 63 lone 8 85 - 9 - 6.3/2606=1, 743/4691=1, ~2816=1 HB3 GLN 79 - HA ALA 63 lone 6 89 - 6 - 5038/4691=2, 5167=1 HB3 MET 11 - HA ALA 63 lone 6 100 - 6 - 743/4691=1 HG2 PRO 14 - HA ALA 63 lone 4 65 - 6 - HG3 PRO 14 - HA ALA 63 lone 4 65 - 6 - HB3 GLU 19 - HA ALA 63 lone 2 65 - 3 - HB3 GLN 91 - HA ALA 63 lone 2 60 - 3 - 3.6/419=1 HB2 GLU 87 - HA ALA 63 lone 2 83 - 2 - HB3 PRO 56 - HA ALA 63 lone 1 83 - 1 - HB2 GLU 50 - HA ALA 63 lone 1 60 - 2 - HB3 GLU 50 - HA ALA 63 lone 1 60 - 2 - HG2 PRO 56 - HA ALA 63 lone 1 68 - 1 - Peak 5371 from cnoeabs.peaks (4.07, 1.88, 29.95 ppm; 3.39 A): 5 out of 63 assignments used, quality = 1.00: HA ARG 26 + HB2 ARG 26 OK 99 99 - 100 - 3.0=100 HA ARG 26 + HB3 ARG 26 OK 99 99 - 100 - 3.0=100 HA ARG 71 + HB3 ARG 71 OK 52 52 - 100 - 3.0=100 HA ARG 71 + HB2 ARG 71 OK 51 51 - 100 - 3.0=100 HA ALA 63 + HB2 ARG 66 OK 49 100 - 49 - 4691/4.0=14, 4684/1.8=10...(11) HA ARG 71 - HB2 ARG 26 OK 40 96 - 42 - 1391/3.0=5, 61/4.6=3...(14) HA ARG 71 - HB3 ARG 26 OK 40 96 - 42 - 1391/3.0=5, 61/4.6=3...(14) HA ARG 71 - HB2 ARG 66 OK 38 97 - 39 - 5372/1.8=4, 5167/2.8=3...(15) HA ARG 26 - HB2 ARG 66 OK 27 100 - 28 - 5395/2.8=3, 5372/1.8=3...(10) HA GLU 25 - HB2 ARG 26 OK 25 75 - 34 - 3.6/527=7, 1391/3.0=4...(12) HA GLU 25 - HB3 ARG 26 OK 25 74 - 34 - 3.6/527=7, 2.9/4833=4...(12) HA ARG 26 - HB3 ARG 71 OK 22 57 - 39 - 2929/2.8=5, 775/4.0=4...(14) HA ARG 26 - HB2 ARG 71 OK 21 55 - 39 - 2929/2.8=5, 775/4.0=4...(15) HA ARG 26 - HB3 ARG 27 OK 18 60 - 31 - 3.6/62=5, ~5345=4...(13) HA ARG 26 - HB2 ARG 27 OK 18 58 - 31 - 3.6/62=4, ~5345=4...(13) HA ALA 63 - HB2 ARG 26 OK 17 99 - 17 - 5369=2, 5369/1.8=2...(5) HA ALA 63 - HB3 ARG 26 OK 17 99 - 17 - 5369=2, 5369/1.8=2...(5) HA VAL 90 - HB2 ARG 66 OK 12 97 - 12 - 5167/2.8=1, 5036/4.0=1 HA ARG 71 - HB3 ARG 27 OK 11 56 - 20 - 61/4.1=3, 2.9/777=1...(4) HA ALA 63 - HB3 ARG 71 OK 11 56 - 19 - 5369=2, 5369/1.8=2...(7) HA ARG 71 - HB2 ARG 27 OK 11 54 - 20 - 61/4.1=3, 2.9/777=1...(4) HA ALA 63 - HB2 ARG 71 OK 10 54 - 19 - 5369=2, 5369/1.8=2...(7) HA GLU 25 - HB3 ARG 27 poor 8 39 - 21 - 61/4.1=3, 5347/4.3=2...(6) HA GLU 25 - HB2 ARG 27 poor 8 37 - 20 - 61/4.1=3, 5347/4.3=2...(6) HA GLU 25 - HB3 ARG 71 poor 6 36 - 16 - 2929/2.8=2, 3.6/527=2...(6) HA GLU 25 - HB2 ARG 71 poor 5 35 - 16 - 2929/2.8=2, 775/4.0=2...(6) HA VAL 90 - HB2 ARG 26 lone 5 96 - 5 - HA VAL 90 - HB3 ARG 26 lone 5 96 - 5 - HA ARG 71 - HB3 ARG 23 lone 5 58 - 8 - HA ARG 71 - HB2 ARG 23 lone 4 55 - 8 - HA GLU 25 - HB2 ARG 66 lone 4 76 - 6 - 3.6/527=1 HA ARG 26 - HB3 ARG 23 lone 3 62 - 6 - 3.6/536=1 HA ALA 63 - HB3 ARG 27 lone 3 60 - 6 - HA ARG 26 - HB2 ARG 23 lone 3 60 - 6 - 3.6/536=1 HA ALA 63 - HB2 ARG 27 lone 3 58 - 5 - HA ALA 63 - HB3 ARG 23 lone 2 62 - 3 - HA ALA 63 - HB2 ARG 23 lone 2 59 - 3 - HA VAL 90 - HB3 ARG 71 lone 2 52 - 3 - HA VAL 90 - HB2 ARG 71 lone 2 51 - 3 - HA GLU 59 - HB2 ARG 26 lone 1 79 - 2 - HA GLU 59 - HB3 ARG 26 lone 1 79 - 2 - HA GLU 25 - HB3 ARG 23 lone 1 40 - 3 - HA GLU 25 - HB2 ARG 23 lone 1 38 - 3 - HA GLU 59 - HB2 ARG 66 lone 1 81 - 1 - HD2 PRO 44 - HB2 ARG 66 lone 1 63 - 2 - HA VAL 90 - HB3 ARG 27 lone 1 56 - 1 - HA VAL 90 - HB2 ARG 27 lone 1 54 - 1 - HD2 PRO 44 - HB2 ARG 26 lone 1 62 - 1 - HD2 PRO 44 - HB3 ARG 26 lone 1 61 - 1 - HA GLU 59 - HB3 ARG 71 lone 1 39 - 1 - HA GLU 59 - HB2 ARG 71 lone 0 38 - 1 - HA VAL 90 - HB3 ARG 23 lone 0 58 - 1 - HA VAL 90 - HB2 ARG 23 lone 0 55 - 1 - HA GLU 59 - HB3 ARG 27 lone 0 42 - 1 - HA GLU 59 - HB2 ARG 27 lone 0 40 - 1 - HA GLU 59 - HB3 ARG 23 lone 0 44 - 1 - HA GLU 59 - HB2 ARG 23 lone 0 42 - 1 - HD2 PRO 44 - HB3 ARG 27 lone 0 31 - 1 - HD2 PRO 44 - HB3 ARG 23 lone 0 32 - 1 - HD2 PRO 44 - HB2 ARG 27 lone 0 30 - 1 - HD2 PRO 44 - HB2 ARG 23 lone 0 31 - 1 - HD2 PRO 44 - HB3 ARG 71 lone 0 29 - 1 - HD2 PRO 44 - HB2 ARG 71 lone 0 28 - 1 - Peak 5372 from cnoeabs.peaks (4.07, 1.94, 29.95 ppm; 3.94 A): 5 out of 21 assignments used, quality = 0.96: HA ALA 63 + HB3 ARG 66 OK 64 100 - 64 - 4691/4.0=20, 4684=16...(11) HA ARG 71 + HB3 ARG 66 OK 47 97 - 48 - 2.9/306=7, 5167/2.8=5...(18) HA ARG 71 + HB3 ARG 70 OK 46 84 - 55 - 2.9/305=11, ~306=7...(17) HA ARG 71 + HB2 ARG 70 OK 46 84 - 55 - 2.9/305=11, ~306=7...(17) HA ARG 26 + HB3 ARG 66 OK 35 100 - 35 - 5167/2.8=4, 5036/4.0=4...(15) HA ALA 63 - HB3 ARG 70 OK 30 88 - 33 - 4684=5, 4684/1.8=4...(13) HA ALA 63 - HB2 ARG 70 OK 30 88 - 33 - 4684=5, 4684/1.8=4...(13) HA VAL 90 - HB3 ARG 66 OK 16 97 - 16 - 5167/2.8=2, 5036/4.0=2...(6) HA ARG 26 - HB2 ARG 70 OK 16 89 - 18 - 775/4.4=5, 5395/2.9=2 HA ARG 26 - HB3 ARG 70 OK 16 89 - 18 - 775/4.4=5, 5395/2.9=2 HA GLU 25 - HB3 ARG 66 lone 5 76 - 6 - HA GLU 25 - HB3 ARG 70 lone 4 61 - 6 - 775/4.4=2, ~5085=1 HA GLU 25 - HB2 ARG 70 lone 4 61 - 6 - 775/4.4=2, ~5085=1 HA VAL 90 - HB3 ARG 70 lone 2 84 - 3 - HA VAL 90 - HB2 ARG 70 lone 2 84 - 3 - HA GLU 59 - HB3 ARG 66 lone 2 81 - 3 - HA GLU 59 - HB2 ARG 70 lone 2 66 - 3 - HA GLU 59 - HB3 ARG 70 lone 2 66 - 3 - HD2 PRO 44 - HB3 ARG 66 lone 2 63 - 3 - HD2 PRO 44 - HB2 ARG 70 lone 1 50 - 2 - HD2 PRO 44 - HB3 ARG 70 lone 1 50 - 2 - Peak 5373 from cnoeabs.peaks (0.90, 2.01, 28.91 ppm; 5.40 A): 9 out of 18 assignments used, quality = 0.94: QG1 VAL 76 + HB3 GLN 79 OK 43 59 - 73 - ~16044=32, ~5852=11...(18) QG2 VAL 76 + HB3 GLN 79 OK 43 59 - 73 - ~16044=32, ~5852=11...(18) HG12 ILE 68 + HG2 ARG 66 OK 32 73 - 44 - ~5251=8, 4732/4.9=5...(18) QG2 VAL 90 + HG2 ARG 66 OK 28 100 - 28 - 3.2/3641=4, ~5165=2...(14) QG1 VAL 90 + HG2 ARG 66 OK 28 100 - 28 - 3.2/3641=4, ~5165=2...(14) QD1 LEU 29 + HG2 ARG 66 OK 21 89 - 23 - 2.1/2703=2, 3.1/2703=2...(9) QG1 VAL 76 + HG2 ARG 66 OK 12 73 - 17 - ~2707=2, 3.2/2699=2...(5) QG2 VAL 76 + HG2 ARG 66 OK 12 73 - 17 - ~2707=2, 3.2/2699=2...(5) QD1 LEU 62 + HG2 ARG 66 OK 10 76 - 14 - ~5958=3, 5961/3.0=1, 5961/3.0=1 QD1 LEU 86 - HG2 ARG 66 lone 9 98 - 9 - HG LEU 51 - HG2 ARG 66 lone 8 100 - 8 - 5323/5969=1, 5323/5969=1 QG1 VAL 90 - HB3 GLN 79 lone 7 89 - 8 - QG2 VAL 90 - HB3 GLN 79 lone 7 89 - 8 - HG12 ILE 68 - HB3 GLN 79 lone 3 59 - 5 - QD1 LEU 29 - HB3 GLN 79 lone 3 74 - 4 - QD1 LEU 86 - HB3 GLN 79 lone 3 85 - 3 - HG LEU 51 - HB3 GLN 79 lone 2 88 - 3 - QD1 LEU 62 - HB3 GLN 79 lone 2 61 - 4 - Peak 5374 from cnoeabs.peaks (0.93, 3.19, 43.48 ppm; 4.29 A): 16 out of 130 assignments used, quality = 0.93: HG12 ILE 68 + HD2 ARG 66 OK 28 100 - 28 - ~5251=4, 4732/6.2=3...(11) HG12 ILE 68 + HD3 ARG 66 OK 28 100 - 28 - ~5251=4, 4732/6.2=3...(11) QD1 LEU 64 + HD2 ARG 66 OK 23 60 - 38 - 6102/3.4=4, 5019=4...(13) QD1 LEU 64 + HD3 ARG 66 OK 23 60 - 38 - 6102/3.4=4, 5019=4...(13) QD2 LEU 62 + HD2 ARG 66 OK 15 100 - 15 - 5958=3, 5958/1.8=3...(5) QD2 LEU 62 + HD3 ARG 66 OK 15 100 - 15 - 5958=3, 5958/1.8=3...(5) QD2 LEU 62 + HD3 ARG 26 OK 13 52 - 26 - 5958/1.8=4, 5958=4...(7) QD2 LEU 62 + HD2 ARG 26 OK 13 51 - 26 - 5958=4, 5958/1.8=4...(7) QD2 LEU 62 + HD3 ARG 70 OK 12 91 - 14 - 5958=2, 5958/1.8=2...(5) QD2 LEU 62 + HD2 ARG 70 OK 12 88 - 13 - 5958/1.8=2, 5958=2...(5) QD1 LEU 64 + HD3 ARG 70 OK 11 50 - 23 - 2650/3.0=1, 5023/3.5=1...(10) QG1 VAL 90 + HD2 ARG 66 OK 11 68 - 16 - ~5373=2, ~3641=1...(5) QG1 VAL 90 + HD3 ARG 66 OK 11 68 - 16 - ~5373=2, ~3641=1...(5) QD1 LEU 64 + HD2 ARG 70 OK 11 47 - 23 - 2650/3.0=1, 5023/3.5=1...(10) QG2 VAL 90 + HD2 ARG 66 OK 10 65 - 16 - ~5373=2, ~3641=1...(5) QG2 VAL 90 + HD3 ARG 66 OK 10 65 - 16 - ~5373=2, ~3641=1...(5) QG2 VAL 41 - HD2 ARG 66 poor 10 98 - 10 - 1981/3.4=2, 4336/5.2=1 QG2 VAL 41 - HD3 ARG 66 poor 10 98 - 10 - 1981/3.4=2, 4336/5.2=1 QD2 LEU 43 - HD2 ARG 66 poor 10 85 - 11 - QD2 LEU 43 - HD3 ARG 66 poor 10 85 - 11 - QG2 VAL 76 - HD2 ARG 66 lone 9 100 - 9 - QG2 VAL 76 - HD3 ARG 66 lone 9 100 - 9 - QG1 VAL 76 - HD2 ARG 66 lone 9 100 - 9 - QG1 VAL 76 - HD3 ARG 66 lone 9 100 - 9 - QG2 ILE 40 - HD2 ARG 66 lone 8 100 - 9 - 4732/6.2=2, 4323/5971=2 QG2 ILE 40 - HD3 ARG 66 lone 8 100 - 8 - 4732/6.2=2, 4323/5971=2 QD1 LEU 64 - HD3 ARG 23 poor 8 18 - 47 - 5019=5, 2651/2.9=5...(22) QD1 LEU 64 - HD2 ARG 23 poor 8 18 - 47 - 5019=5, 2651/2.9=5...(22) QG2 VAL 41 - HD3 ARG 70 lone 7 88 - 8 - 5830/6.3=2, ~4345=1 QD2 LEU 62 - HD3 ARG 71 poor 7 56 - 13 - 5958=2, 2594/3.0=2...(4) QG2 VAL 41 - HD2 ARG 70 lone 7 84 - 8 - 5830/6.3=2, ~4345=1 QD2 LEU 43 - HD3 ARG 70 lone 6 73 - 8 - QD2 LEU 43 - HD2 ARG 70 lone 6 69 - 8 - HG12 ILE 68 - HD3 ARG 70 lone 5 91 - 6 - 5830/6.3=2 HG12 ILE 68 - HD2 ARG 70 lone 5 87 - 6 - 5830/6.3=2 QG1 VAL 76 - HD3 ARG 70 lone 4 91 - 5 - 5830/6.3=2 QG2 VAL 76 - HD3 ARG 70 lone 4 91 - 5 - 5830/6.3=2 QG1 VAL 76 - HD2 ARG 70 lone 4 87 - 5 - 5830/6.3=2 QG2 VAL 76 - HD2 ARG 70 lone 4 87 - 5 - 5830/6.3=2 QG2 ILE 40 - HD3 ARG 70 lone 4 91 - 4 - 5830/6.3=2 QG2 ILE 40 - HD2 ARG 70 lone 4 88 - 4 - 5830/6.3=2 HG12 ILE 68 - HD3 ARG 71 lone 4 55 - 7 - 5834/5.8=3 QG2 VAL 41 - HD3 ARG 71 lone 4 53 - 7 - 5834/5.8=2, ~4345=2 HG12 ILE 68 - HD2 ARG 23 lone 4 38 - 10 - ~4759=3, ~5242=3, ~5251=2 HG12 ILE 68 - HD3 ARG 23 lone 4 38 - 10 - ~4759=3, ~5242=3, ~5251=2 HG12 ILE 68 - HD3 ARG 26 lone 3 52 - 6 - QD1 LEU 64 - HD3 ARG 27 poor 3 21 - 14 - ~5161=2, ~5100=2...(6) QD1 LEU 64 - HD2 ARG 27 poor 3 21 - 14 - ~5161=2, ~5100=2...(6) HG12 ILE 68 - HD2 ARG 26 lone 3 51 - 6 - QD1 LEU 64 - HD3 ARG 26 poor 3 25 - 10 - 5019=1 QD1 LEU 64 - HD2 ARG 26 poor 3 25 - 10 - 5019=1 QG2 ILE 40 - HD3 ARG 71 lone 2 56 - 4 - 5834/5.8=2 QD2 LEU 62 - HD3 ARG 23 lone 2 38 - 6 - 5958=1, 5958/1.8=1 QD2 LEU 62 - HD2 ARG 23 lone 2 38 - 6 - 5958=1, 5958/1.8=1 QD1 LEU 64 - HD3 ARG 71 lone 2 27 - 7 - 5834/5.8=1 QD1 LEU 64 - HD2 ARG 17 poor 2 14 - 15 - 3919/5.6=2, 5019=2...(7) QD1 LEU 64 - HD3 ARG 17 poor 2 14 - 15 - 3919/5.6=2, 5019=2...(7) QD2 LEU 62 - HD2 ARG 27 lone 2 44 - 4 - QD2 LEU 62 - HD3 ARG 27 lone 2 44 - 4 - QG1 VAL 76 - HD3 ARG 71 lone 2 55 - 3 - QG2 VAL 76 - HD3 ARG 71 lone 2 55 - 3 - 5834/5.8=1 QD2 LEU 43 - HD3 ARG 71 lone 2 42 - 4 - 5834/5.8=1 QD2 LEU 43 - HD3 ARG 26 lone 2 39 - 4 - QD2 LEU 43 - HD2 ARG 26 lone 2 38 - 4 - QD2 LEU 62 - HD3 ARG 17 lone 2 29 - 5 - QD2 LEU 62 - HD2 ARG 17 lone 2 29 - 5 - QG2 ILE 40 - HD3 ARG 26 lone 2 52 - 3 - QG2 ILE 40 - HD2 ARG 26 lone 1 51 - 3 - QG1 VAL 90 - HD3 ARG 70 lone 1 57 - 2 - QG2 VAL 90 - HD3 ARG 70 lone 1 55 - 2 - QG1 VAL 90 - HD2 ARG 70 lone 1 54 - 2 - QG1 VAL 76 - HD3 ARG 26 lone 1 52 - 2 - QG2 VAL 76 - HD3 ARG 26 lone 1 52 - 2 - QG1 VAL 76 - HD2 ARG 26 lone 1 51 - 2 - QG2 VAL 41 - HD3 ARG 26 lone 1 50 - 2 - QG2 VAL 76 - HD2 ARG 26 lone 1 51 - 2 - QG2 VAL 90 - HD2 ARG 70 lone 1 52 - 2 - QG2 VAL 41 - HD2 ARG 26 lone 1 48 - 2 - QG1 VAL 90 - HD3 ARG 26 lone 1 30 - 3 - QG1 VAL 90 - HD2 ARG 26 lone 1 29 - 3 - QG2 VAL 90 - HD3 ARG 26 lone 1 28 - 3 - QG2 VAL 90 - HD2 ARG 26 lone 1 27 - 3 - HG12 ILE 68 - HD2 ARG 27 lone 1 44 - 2 - HG12 ILE 68 - HD3 ARG 27 lone 1 44 - 2 - QG2 VAL 41 - HD2 ARG 27 lone 1 42 - 2 - QG2 VAL 41 - HD3 ARG 27 lone 1 42 - 2 - QG2 ILE 40 - HD3 ARG 23 lone 1 38 - 2 - QG2 ILE 40 - HD2 ARG 23 lone 1 38 - 2 - QD2 LEU 43 - HD3 ARG 27 lone 1 33 - 2 - QD2 LEU 43 - HD2 ARG 27 lone 1 33 - 2 - QG2 VAL 76 - HD3 ARG 27 lone 1 44 - 1 - QG2 VAL 76 - HD2 ARG 27 lone 1 44 - 1 - QG1 VAL 76 - HD3 ARG 27 lone 1 44 - 1 - QG1 VAL 76 - HD2 ARG 27 lone 1 44 - 1 - QG2 VAL 41 - HD2 ARG 23 lone 1 36 - 2 - QG2 VAL 41 - HD3 ARG 23 lone 1 36 - 2 - QG1 VAL 90 - HD3 ARG 71 lone 1 32 - 2 - QG2 ILE 40 - HD3 ARG 27 lone 1 44 - 1 - QG2 ILE 40 - HD2 ARG 27 lone 1 44 - 1 - QG2 VAL 90 - HD3 ARG 71 lone 1 30 - 2 - QD2 LEU 43 - HD3 ARG 23 lone 1 28 - 2 - QD2 LEU 43 - HD2 ARG 23 lone 1 28 - 2 - QG2 VAL 41 - HD3 ARG 17 lone 1 28 - 2 - QG2 VAL 41 - HD2 ARG 17 lone 1 28 - 2 - QG1 VAL 76 - HD2 ARG 23 lone 0 38 - 1 - QG1 VAL 76 - HD3 ARG 23 lone 0 38 - 1 - QG2 VAL 76 - HD3 ARG 23 lone 0 38 - 1 - QG2 VAL 76 - HD2 ARG 23 lone 0 38 - 1 - QD2 LEU 43 - HD3 ARG 17 lone 0 21 - 2 - QD2 LEU 43 - HD2 ARG 17 lone 0 21 - 2 - HG12 ILE 68 - HD3 ARG 17 lone 0 29 - 1 - HG12 ILE 68 - HD2 ARG 17 lone 0 29 - 1 - QG2 ILE 40 - HD2 ARG 17 lone 0 29 - 1 - QG2 ILE 40 - HD3 ARG 17 lone 0 29 - 1 - QG1 VAL 76 - HD2 ARG 17 lone 0 29 - 1 - QG1 VAL 76 - HD3 ARG 17 lone 0 29 - 1 - QG2 VAL 76 - HD3 ARG 17 lone 0 29 - 1 - QG2 VAL 76 - HD2 ARG 17 lone 0 29 - 1 - QG1 VAL 90 - HD2 ARG 27 lone 0 24 - 1 - QG1 VAL 90 - HD3 ARG 27 lone 0 24 - 1 - QG2 VAL 90 - HD3 ARG 27 lone 0 23 - 1 - QG2 VAL 90 - HD2 ARG 27 lone 0 23 - 1 - QG1 VAL 90 - HD2 ARG 23 lone 0 21 - 1 - QG1 VAL 90 - HD3 ARG 23 lone 0 21 - 1 - QG2 VAL 90 - HD2 ARG 23 lone 0 20 - 1 - QG2 VAL 90 - HD3 ARG 23 lone 0 20 - 1 - QG1 VAL 90 - HD2 ARG 17 lone 0 16 - 1 - QG1 VAL 90 - HD3 ARG 17 lone 0 16 - 1 - QG2 VAL 90 - HD2 ARG 17 lone 0 15 - 1 - QG2 VAL 90 - HD3 ARG 17 lone 0 15 - 1 - Peak 5375 from cnoeabs.peaks (0.84, 1.88, 29.95 ppm; 4.39 A): 6 out of 45 assignments used, quality = 0.92: QD2 LEU 64 + HB2 ARG 66 OK 52 100 - 52 - 6103/1.8=7, ~6102=6...(18) QD2 LEU 64 + HB3 ARG 23 OK 38 63 - 61 - 2644/3.0=7, 5028=6...(28) QD2 LEU 64 + HB2 ARG 23 OK 36 60 - 61 - 2644/3.0=7, 5028/1.8=6...(28) QD2 LEU 29 + HB2 ARG 26 OK 27 100 - 28 - 5349/3.0=3, 5521/4.6=3...(11) QD2 LEU 29 + HB3 ARG 26 OK 27 99 - 28 - 5349/3.0=3, 5521/4.6=3...(11) QD2 LEU 64 + HB3 ARG 27 OK 25 60 - 41 - 5015/4.3=7, 5521/4.1=5...(14) QD2 LEU 64 - HB2 ARG 27 OK 24 58 - 41 - 5015/4.3=7, 5521/4.1=5...(14) QD2 LEU 64 - HB3 ARG 26 OK 22 99 - 22 - 5521/4.6=5, 5028/1.8=2...(5) QD2 LEU 64 - HB2 ARG 26 OK 22 100 - 22 - 5521/4.6=5, 5028=2...(6) QD2 LEU 29 - HB2 ARG 66 OK 17 100 - 17 - ~5373=1, 1515/2.8=1, ~5832=1 QG2 ILE 89 - HB3 ARG 27 OK 16 60 - 26 - 5521/4.1=7, ~4807=3...(8) QG2 ILE 89 - HB2 ARG 26 OK 14 100 - 14 - 5521/4.6=6, 5998/3.9=2 QG2 ILE 89 - HB3 ARG 26 OK 14 99 - 14 - 5521/4.6=6, 5998/3.9=2 QD1 LEU 43 - HB2 ARG 66 OK 14 95 - 14 - 5803/4.6=1 QD2 LEU 86 - HB2 ARG 26 OK 14 96 - 14 - 5521/4.6=2, 5349/3.0=1 QD2 LEU 86 - HB3 ARG 26 OK 14 96 - 14 - 5521/4.6=2, 5349/3.0=1 QG2 ILE 89 - HB2 ARG 27 OK 13 58 - 22 - 5521/4.1=7, ~4807=3...(7) QD2 LEU 29 - HB3 ARG 71 OK 12 57 - 20 - ~5348=3, 5349/3.0=3...(8) QD2 LEU 29 - HB2 ARG 71 OK 11 55 - 20 - ~5348=3, 5349/3.0=3...(8) QD2 LEU 64 - HB3 ARG 71 OK 11 57 - 18 - 4163/3.0=2, 5028/1.8=2...(6) QD2 LEU 64 - HB2 ARG 71 OK 10 55 - 18 - 4163/3.0=2, 5028/1.8=2...(6) QD1 LEU 43 - HB2 ARG 26 poor 10 93 - 10 - 5521/4.6=2 QD1 LEU 43 - HB3 ARG 26 poor 10 93 - 10 - 5521/4.6=2 QD2 LEU 29 - HB3 ARG 27 poor 8 60 - 13 - 5521/4.1=3, 4171/4.3=3 QD2 LEU 29 - HB2 ARG 27 poor 7 58 - 13 - 5521/4.1=3, 4171/4.3=3 QD2 LEU 86 - HB2 ARG 66 lone 7 97 - 7 - QD2 LEU 86 - HB3 ARG 71 lone 5 52 - 10 - 5349/3.0=1 QD2 LEU 86 - HB3 ARG 27 lone 5 56 - 9 - 5521/4.1=2, 4171/4.3=2 QD2 LEU 86 - HB2 ARG 71 lone 5 51 - 10 - 5349/3.0=1 QD2 LEU 86 - HB2 ARG 27 lone 5 54 - 9 - 5521/4.1=2, 4171/4.3=2 QD1 LEU 43 - HB3 ARG 27 lone 5 53 - 9 - 5521/4.1=2, 4171/4.3=1 QD1 LEU 43 - HB2 ARG 27 lone 5 51 - 9 - 5521/4.1=2, 4171/4.3=1 QG2 ILE 89 - HB3 ARG 23 lone 4 63 - 6 - QG2 ILE 89 - HB3 ARG 71 lone 4 57 - 7 - 4163/3.0=1 QD2 LEU 29 - HB3 ARG 23 lone 4 63 - 6 - QG2 ILE 89 - HB2 ARG 23 lone 4 60 - 6 - QD2 LEU 29 - HB2 ARG 23 lone 4 60 - 6 - QD1 LEU 43 - HB3 ARG 71 lone 4 50 - 7 - QD1 LEU 43 - HB2 ARG 71 lone 4 48 - 7 - QG2 ILE 89 - HB2 ARG 66 lone 3 100 - 3 - QG2 ILE 89 - HB2 ARG 71 lone 3 55 - 5 - 4163/3.0=1 QD2 LEU 86 - HB3 ARG 23 lone 2 58 - 4 - QD1 LEU 43 - HB3 ARG 23 lone 2 55 - 5 - QD2 LEU 86 - HB2 ARG 23 lone 2 55 - 4 - QD1 LEU 43 - HB2 ARG 23 lone 2 52 - 4 - Peak 5376 from cnoeabs.peaks (0.30, 0.78, 13.95 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.51: QG2 ILE 33 + QD1 ILE 68 OK 51 100 - 51 - 4300/5247=16...(13) Peak 5377 from cnoeabs.peaks (8.19, 0.78, 13.95 ppm; 5.28 A): 5 out of 8 assignments used, quality = 0.87: H ALA 28 + QD1 ILE 68 OK 55 73 - 76 - 2.9/5302=39, 5909=13...(16) H GLU 25 + QD1 ILE 68 OK 43 96 - 45 - 4.5/4760=29, 4.5/4160=8...(7) H ARG 27 + QD1 ILE 68 OK 32 97 - 33 - 4.6/5909=10, 5520/5302=8...(9) H THR 15 + QD1 ILE 68 OK 17 92 - 19 - 4.0/2779=3, 3.9/4757=3...(6) H ARG 84 + QD1 ILE 68 OK 10 97 - 10 - 5909=2, 3.6/4765=1 H ILE 89 - QD1 ILE 68 lone 5 90 - 6 - ~3603=2 H SER 22 - QD1 ILE 68 lone 4 78 - 6 - H GLN 79 - QD1 ILE 68 lone 3 65 - 4 - Peak 5378 from cnoeabs.peaks (7.97, 3.98, 60.19 ppm; 4.36 A): 8 out of 8 assignments used, quality = 0.95: H ARG 69 + HA ARG 66 OK 54 99 - 55 - 5379=9, 4.0/4733=9...(18) H ALA 63 + HA ARG 66 OK 52 100 - 52 - ~4691=15, ~5786=13...(12) H ARG 70 + HA ARG 66 OK 44 76 - 58 - 4.3/4733=8, 4.1/2677=6...(23) H GLY 72 + HA ARG 66 OK 24 92 - 26 - 5842/3.0=3, 4.7/304=3...(9) H ALA 30 + HA ARG 66 OK 20 99 - 20 - 4194/3.0=4, 4841=3...(7) H VAL 76 + HA ARG 66 OK 17 90 - 19 - 812=3, ~740=1, ~6044=1...(6) H LYS 73 + HA ARG 66 OK 10 81 - 13 - 5987=2, 4.5/783=2, 3.6/2956=1 H LEU 29 + HA ARG 66 OK 10 73 - 14 - 4.6/4841=2, 77=2...(5) Peak 5384 from cnoeabs.peaks (8.18, 4.49, 56.18 ppm; 3.68 A): 2 out of 8 assignments used, quality = 0.88: H GLU 25 + HA ASP 24 OK 73 73 - 100 - 3.6=100 H ARG 27 + HA ASP 24 OK 53 100 - 53 - 5383=25, 4.6/4169=8...(16) H ARG 84 - HA ASP 24 lone 3 78 - 4 - 6057=1 H THR 15 - HA ASP 24 lone 3 65 - 4 - 4.6/5385=1 H ILE 89 - HA ASP 24 lone 2 100 - 2 - H LEU 57 - HA ASP 24 lone 1 68 - 1 - H ALA 78 - HA ASP 24 lone 1 60 - 1 - H ASN 74 - HA ASP 24 lone 0 71 - 1 - Peak 5385 from cnoeabs.peaks (8.34, 4.49, 56.18 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: H ASP 24 + HA ASP 24 OK 100 100 - 100 - 3.0=100 H ALA 16 - HA ASP 24 poor 10 95 - 10 - 50/3.6=4, 1320/3.0=2, 1324/3.0=2 H GLU 19 - HA ASP 24 lone 8 89 - 9 - 50/3.6=4, 1320/3.0=2, 1324/3.0=2 H LYS 83 - HA ASP 24 lone 4 65 - 6 - 4.6/6057=1, 50/3.6=1 Peak 5386 from cnoeabs.peaks (7.97, 4.12, 58.29 ppm; 4.13 A): 4 out of 24 assignments used, quality = 0.75: H ALA 30 + HA ARG 27 OK 56 99 - 57 - 2.9/5388=20, 5387=13...(12) H LEU 29 + HA ARG 27 OK 25 76 - 33 - 4.6/69=14, 78/5.0=10...(6) H ALA 30 + HA GLU 25 OK 15 53 - 27 - 5387=8, 2.9/5388=7...(7) H VAL 76 + HA ARG 27 OK 10 92 - 11 - 5411/3.6=4, 340/3.0=2...(4) H ALA 30 - HA ARG 23 poor 9 71 - 13 - 2.9/5388=4, 83/3.8=1...(5) H GLY 72 - HA ARG 27 poor 9 90 - 10 - 314/3.0=1, 314/3.0=1, 5.0/1418=1 H LEU 29 - HA GLU 25 poor 9 36 - 25 - 3.6/4181=7, 4184=5...(5) H ALA 63 - HA ARG 27 lone 7 100 - 7 - H ARG 70 - HA ARG 27 lone 4 78 - 5 - 907/3.6=1 H LYS 73 - HA ARG 27 lone 4 78 - 5 - H GLY 72 - HA GLU 25 lone 3 45 - 7 - 5397/3.6=3, 312=1 H ARG 69 - HA ARG 27 lone 3 99 - 3 - H GLY 72 - HA ARG 23 lone 3 61 - 4 - H VAL 76 - HA GLU 25 lone 3 46 - 6 - H LEU 29 - HA ARG 23 lone 2 49 - 5 - 4.6/69=1 H VAL 76 - HA ARG 23 lone 2 63 - 3 - H ARG 69 - HA GLU 25 lone 2 53 - 4 - H ALA 63 - HA ARG 23 lone 2 74 - 3 - H ALA 63 - HA GLU 25 lone 2 55 - 3 - H ARG 70 - HA GLU 25 lone 2 37 - 4 - ~5085=1, 5390/3.6=1 H LYS 73 - HA GLU 25 lone 1 37 - 4 - 944/3.6=1 H ARG 70 - HA ARG 23 lone 1 51 - 3 - H LYS 73 - HA ARG 23 lone 1 51 - 2 - H ARG 69 - HA ARG 23 lone 1 71 - 2 - Peak 5388 from cnoeabs.peaks (4.10, 1.45, 18.15 ppm; 2.86 A): 0 out of 6 assignments used, low quality = 0.26: HA ARG 27 - QB ALA 30 OK 26 95 - 28 - 4807=11, 5387/2.9=5...(7) HA GLU 25 - QB ALA 30 lone 9 93 - 9 - 5387/2.9=3, 4807=2 HA ARG 71 - QB ALA 30 lone 6 65 - 9 - 5387/2.9=3, 3.6/1521=1...(4) HA ARG 23 - QB ALA 30 lone 5 73 - 6 - 4807=2 HB THR 88 - QB ALA 30 lone 3 89 - 3 - 4.4/5539=2 HA VAL 90 - QB ALA 30 lone 1 65 - 2 - 5387/2.9=1 Peak 5391 from cnoeabs.peaks (8.11, 4.00, 58.60 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.99: H ARG 71 + HA ARG 70 OK 99 99 - 100 - 3.6=100 H LYS 75 - HA ARG 70 OK 24 81 - 30 - 5390/2.9=8, 4.0/5061=3...(11) H LYS 85 - HA ARG 70 OK 21 99 - 21 - 5390/2.9=6, 5488/4.0=2...(9) H ARG 26 - HA ARG 70 OK 10 85 - 12 - 526/4.7=3, 5390/2.9=2 H THR 88 - HA ARG 70 lone 3 85 - 3 - 5390/2.9=1 Peak 5392 from cnoeabs.peaks (3.51, 1.85, 30.22 ppm; 4.45 A): 3 out of 22 assignments used, quality = 0.93: HA ILE 68 + HB3 ARG 71 OK 69 100 - 69 - 5389/4.0=26, 5985/2.8=22...(10) HA ILE 68 + HB2 ARG 71 OK 69 100 - 69 - 15389/4.0=26...(10) HD3 PRO 34 + HB3 PRO 34 OK 25 25 - 100 - 3.0=100 HD3 PRO 34 - HB2 ARG 71 OK 23 60 - 38 - 2.3/1723=3, 2.3/1730=3...(15) HD3 PRO 34 - HB3 ARG 71 OK 23 60 - 38 - 2.3/1723=3, 2.3/1730=3...(15) HA ILE 68 - HB2 ARG 66 OK 12 56 - 22 - ~5809=4, ~756=3...(8) HA ILE 68 - HB3 PRO 34 OK 11 52 - 22 - ~5249=4, 4748/1.8=4...(6) HA ILE 68 - HB2 ARG 27 OK 10 100 - 10 - 4.1/5974=2, 5973/1.8=1, 5973=1 HA ILE 68 - HB3 ARG 27 OK 10 100 - 10 - 4.1/5974=2, 5973/1.8=1, 5973=1 HD3 PRO 34 - HB2 ARG 27 poor 10 60 - 16 - 2.3/1723=1, 2.3/1730=1...(8) HD3 PRO 34 - HB3 ARG 27 poor 10 60 - 16 - 2.3/1723=1, 2.3/1730=1...(6) HD3 PRO 34 - HB2 ARG 26 poor 8 26 - 32 - 2.3/1723=3, 2.3/1730=3...(11) HD3 PRO 34 - HB3 ARG 26 poor 8 24 - 32 - 2.3/1723=3, 2.3/1730=3...(11) HA ILE 68 - HB3 ARG 23 lone 6 78 - 8 - 4.1/5974=2, ~5818=1, 5973/1.8=1 HA ILE 68 - HB2 ARG 23 lone 6 77 - 8 - 4.1/5974=2, ~5818=1 HA ILE 68 - HB2 ARG 26 poor 6 53 - 11 - 5815/3.9=1, 15389/777=1 HA ILE 68 - HB3 ARG 26 poor 5 51 - 10 - 5815/3.9=1, 15389/777=1 HA ILE 68 - HB2 ARG 17 lone 3 50 - 6 - HD3 PRO 34 - HB3 ARG 23 lone 2 40 - 4 - HD3 PRO 34 - HB2 ARG 66 lone 2 27 - 6 - HD3 PRO 34 - HB2 ARG 23 lone 2 40 - 4 - HD3 PRO 34 - HB2 ARG 17 lone 1 24 - 2 - Peak 5394 from cnoeabs.peaks (1.57, 4.07, 58.59 ppm; 3.91 A): 8 out of 42 assignments used, quality = 0.83: HB3 LEU 29 + HA ARG 26 OK 28 97 - 30 - 1.8/5348=6, 4186=4...(10) HG LEU 62 + HA ARG 26 OK 25 100 - 25 - ~5962=4, 2.1/4805=3...(10) HB3 LEU 29 + HA ARG 71 OK 25 84 - 29 - 1.8/5348=7, 4186=5...(9) HB3 LEU 62 + HA ARG 26 OK 23 85 - 27 - 4186=4, ~5962=3...(11) HG LEU 62 + HA ARG 71 OK 15 90 - 17 - 2.1/4805=2, 3.0/4186=2...(8) HB3 LEU 29 + HA GLU 25 OK 14 73 - 20 - 1.8/5348=4, 4.0/4184=4...(7) HB3 LEU 62 + HA ARG 71 OK 14 71 - 20 - 4186=3, 3.0/4677=2...(8) HB3 LEU 86 + HA ARG 26 OK 10 99 - 10 - 4186=1, 3.1/5349=1, ~5516=1 HB3 LEU 86 - HA ARG 71 poor 10 88 - 11 - 4186=1 HG2 ARG 84 - HA ARG 71 poor 7 60 - 12 - 2.9/2937=1, 2.9/2937=1 HG3 ARG 84 - HA ARG 71 poor 7 60 - 12 - 2.9/2937=1, 2.9/2937=1 HG LEU 64 - HA ARG 71 poor 7 49 - 14 - 3.0/5395=2, 4.8/262=2...(5) HG3 ARG 23 - HA ARG 71 poor 6 51 - 11 - HG LEU 64 - HA ARG 26 lone 6 60 - 9 - 2.1/4805=2, 4.8/262=1 HG LEU 86 - HA ARG 26 lone 5 60 - 9 - ~5516=1, 2.1/5349=1...(4) HG3 ARG 84 - HA ARG 26 lone 4 73 - 6 - HG2 ARG 84 - HA ARG 26 lone 4 73 - 6 - HG LEU 86 - HA ARG 71 lone 4 49 - 9 - 2.1/5349=1, 2.1/4805=1 HG LEU 62 - HA GLU 25 lone 4 78 - 5 - 2.1/4805=1 HB3 LEU 86 - HA GLU 25 lone 4 77 - 5 - HG2 LYS 39 - HA ARG 71 lone 4 67 - 5 - HG3 ARG 54 - HA ARG 71 lone 3 88 - 3 - HB3 LEU 62 - HA GLU 25 lone 3 60 - 5 - HD3 LYS 39 - HA ARG 71 lone 3 81 - 4 - HG LEU 64 - HA GLU 25 lone 3 40 - 7 - ~5015=2, ~5013=1, 2.1/4163=1 HB3 ARG 54 - HA ARG 71 lone 3 67 - 4 - 2316/4.7=1 HD2 LYS 39 - HA ARG 71 lone 3 80 - 3 - HG3 ARG 23 - HA ARG 26 lone 3 63 - 4 - HG2 LYS 39 - HA ARG 26 lone 2 81 - 3 - HG3 ARG 54 - HA ARG 26 lone 2 99 - 2 - HD3 LYS 39 - HA ARG 26 lone 2 95 - 2 - HD2 LYS 39 - HA ARG 26 lone 2 93 - 2 - HB3 ARG 54 - HA ARG 26 lone 2 81 - 2 - HG LEU 86 - HA GLU 25 lone 2 40 - 4 - HG2 ARG 84 - HA GLU 25 lone 1 51 - 3 - HG3 ARG 84 - HA GLU 25 lone 1 51 - 3 - HG3 ARG 23 - HA GLU 25 lone 1 43 - 3 - HG3 ARG 54 - HA GLU 25 lone 1 76 - 1 - HB3 ARG 54 - HA GLU 25 lone 1 57 - 2 - HG2 LYS 39 - HA GLU 25 lone 1 57 - 1 - HD3 LYS 39 - HA GLU 25 lone 1 70 - 1 - HD2 LYS 39 - HA GLU 25 lone 1 69 - 1 - Peak 5395 from cnoeabs.peaks (1.70, 4.07, 58.59 ppm; 3.84 A): 9 out of 30 assignments used, quality = 0.94: HG2 ARG 70 + HA ARG 71 OK 49 89 - 54 - 2865/4.7=10, 307/2.9=10...(18) HG3 ARG 66 + HA ARG 71 OK 40 86 - 47 - 307/2.9=6, 1.8/5167=5...(19) HG3 ARG 66 + HA ARG 26 OK 34 98 - 35 - 1.8/5167=4, 2708/3.0=4...(11) HB2 LEU 29 + HA ARG 26 OK 29 96 - 30 - 5348=8, 1.8/5394=4...(10) HB2 LEU 29 + HA ARG 71 OK 27 83 - 33 - 5348=9, 307/2.9=4...(11) HG2 ARG 70 + HA ARG 26 OK 16 100 - 16 - 5.0/775=4, 2.9/5372=1...(4) HB3 LEU 64 + HA ARG 71 OK 16 88 - 19 - 307/2.9=2, 2844/4.7=2...(8) HB2 LEU 29 + HA GLU 25 OK 14 71 - 20 - 5348=5, 4.0/4184=4...(7) HB3 LEU 64 + HA ARG 26 OK 10 99 - 11 - 4.0/262=1, 4.4/5796=1 HB2 ARG 84 - HA ARG 71 poor 7 65 - 11 - 307/2.9=1, 2844/4.7=1 HB2 ARG 84 - HA ARG 26 lone 5 78 - 7 - HB3 LEU 64 - HA GLU 25 lone 5 76 - 6 - ~5015=1 HB3 LYS 85 - HA ARG 71 lone 5 73 - 6 - 307/2.9=1, 2844/4.7=1 HB2 LEU 43 - HA ARG 71 lone 5 69 - 7 - 307/2.9=1 HB2 ARG 82 - HA ARG 71 lone 4 85 - 5 - HG3 ARG 66 - HA GLU 25 lone 4 75 - 5 - HG2 ARG 70 - HA GLU 25 lone 4 78 - 5 - 5.0/775=1 HB2 LEU 43 - HA ARG 26 lone 4 83 - 4 - HB3 LYS 83 - HA ARG 71 lone 3 81 - 4 - HB2 ARG 82 - HA ARG 26 lone 3 97 - 3 - HB3 LYS 85 - HA ARG 26 lone 2 87 - 3 - HB3 LYS 83 - HA ARG 26 lone 2 95 - 2 - HB3 LYS 83 - HA GLU 25 lone 2 70 - 3 - HB2 ARG 84 - HA GLU 25 lone 2 55 - 4 - HB3 LYS 13 - HA ARG 71 lone 2 63 - 3 - HB3 LYS 85 - HA GLU 25 lone 1 62 - 2 - HB3 LYS 13 - HA ARG 26 lone 1 76 - 2 - HB2 LEU 43 - HA GLU 25 lone 1 59 - 2 - HB2 ARG 82 - HA GLU 25 lone 1 74 - 1 - HB3 LYS 13 - HA GLU 25 lone 1 53 - 1 - Peak 5396 from cnoeabs.peaks (7.97, 4.07, 58.59 ppm; 4.36 A): 6 out of 27 assignments used, quality = 0.94: H GLY 72 + HA ARG 71 OK 65 65 - 100 - 3.6=100 H ARG 70 + HA ARG 71 OK 31 77 - 41 - 5390/2.9=20, 295/3.6=7...(8) H ALA 30 + HA ARG 26 OK 31 93 - 33 - 4194/3.0=6, 4194/3.0=6...(9) H LEU 29 + HA ARG 26 OK 29 89 - 33 - 3.6/4181=6, 4184=5...(10) H LEU 29 + HA ARG 71 OK 27 75 - 36 - 4184=7, 4.0/5348=5...(13) H ALA 63 + HA ARG 71 OK 27 86 - 31 - 725=5, 2.9/2610=3...(11) H ALA 63 - HA ARG 26 OK 26 98 - 27 - 725=4, 3.6/4677=3...(9) H GLY 72 - HA ARG 26 OK 24 78 - 30 - 312=6, 5.0/2929=6...(11) H ARG 69 - HA ARG 71 OK 24 80 - 30 - 5825/2.9=14, ~5837=7...(5) H ALA 30 - HA ARG 71 OK 22 80 - 28 - 5387=6, 4.6/5348=5...(7) H LEU 29 - HA GLU 25 OK 21 64 - 34 - 3.6/4181=9, 4184=7...(9) H ALA 30 - HA GLU 25 OK 19 69 - 27 - 5387=7, 5538/2.9=5...(9) H ARG 70 - HA ARG 26 OK 15 90 - 17 - 4.6/775=6, 5390/3.0=1...(6) H VAL 76 - HA ARG 71 OK 15 86 - 17 - 303/2.9=4, 2840/4.7=2...(6) H LYS 73 - HA ARG 71 OK 11 51 - 22 - 5987/4.7=7, 942/2.9=6...(4) H LYS 32 - HA ARG 71 poor 8 51 - 15 - 303/2.9=3, 2840/4.7=2, ~304=1 H LYS 73 - HA ARG 26 poor 7 63 - 12 - 4.5/312=4, 944/3.0=1 H GLY 72 - HA GLU 25 poor 7 55 - 13 - 5397/3.6=3, 312=3...(5) H ARG 69 - HA ARG 26 lone 7 93 - 7 - 5825/775=1 H VAL 76 - HA GLU 25 lone 6 75 - 8 - H VAL 76 - HA ARG 26 lone 6 98 - 6 - H ARG 70 - HA GLU 25 lone 6 66 - 9 - 4.6/775=2, ~5085=2, 5390/3.6=1 H ALA 63 - HA GLU 25 lone 5 75 - 7 - H LYS 32 - HA ARG 26 lone 4 63 - 6 - H ARG 69 - HA GLU 25 lone 4 69 - 5 - H LYS 73 - HA GLU 25 lone 3 43 - 6 - 4.5/312=2 H LYS 32 - HA GLU 25 lone 3 43 - 6 - Peak 5400 from cnoeabs.peaks (4.20, 1.97, 28.77 ppm; 3.55 A): 2 out of 14 assignments used, quality = 0.96: HA GLN 79 + HB2 GLN 79 OK 88 88 - 100 - 3.0=100 HA GLN 79 + HB3 GLN 79 OK 67 67 - 100 - 3.0=100 HA ALA 78 - HB2 GLN 79 OK 21 85 - 25 - 3.6/824=11, ~5446=4...(8) HA ALA 78 - HB3 GLN 79 OK 15 64 - 24 - 3.6/5414=9, ~5446=4...(8) HA ARG 82 - HB2 GLN 79 poor 8 63 - 12 - ~6050=2, 3190=2...(5) HA ARG 82 - HB3 GLN 79 poor 5 46 - 12 - ~6050=2, 3190/1.8=1...(5) HA ARG 84 - HB2 GLN 79 lone 4 78 - 5 - HA ARG 84 - HB3 GLN 79 lone 3 58 - 5 - HA LYS 73 - HB2 GLN 79 lone 3 70 - 4 - HA LYS 73 - HB3 GLN 79 lone 2 51 - 4 - HB THR 37 - HB2 GLN 79 lone 1 56 - 1 - HB THR 37 - HB3 GLN 79 lone 1 40 - 1 - HA ILE 89 - HB2 GLN 79 lone 1 47 - 1 - HA ILE 89 - HB3 GLN 79 lone 0 33 - 1 - Peak 5402 from cnoeabs.peaks (0.93, 4.18, 56.67 ppm; 3.99 A): 4 out of 40 assignments used, quality = 0.94: QG2 VAL 76 + HA LYS 73 OK 58 98 - 59 - 2.1/16037=33, 5430=7...(16) QG1 VAL 76 + HA LYS 73 OK 58 98 - 59 - 2.1/16037=33, 5430=7...(16) QG2 VAL 41 + HA LYS 73 OK 48 96 - 50 - 2.1/5626=13, 5625=10...(14) QD2 LEU 62 + HA LEU 29 OK 35 70 - 51 - 2598/4.0=6, 2596/3.0=4...(25) HG12 ILE 68 - HA LYS 73 OK 24 98 - 25 - 5263/3.0=4, 3.2/5403=3...(10) QD2 LEU 62 - HA LYS 73 OK 18 99 - 18 - 5263/3.0=2, 5962/3.6=2 QD2 LEU 43 - HA LEU 29 OK 17 53 - 32 - 2039/3.0=4, 5213/3.0=3...(17) QD1 LEU 64 - HA LEU 29 OK 14 35 - 41 - 2.1/5481=4, ~550=4...(20) QG2 ILE 40 - HA LYS 73 OK 12 99 - 12 - 4326/3.0=2, 4303/3.0=2 QG2 VAL 76 - HA ARG 84 OK 10 96 - 11 - 3.9/5431=2, 5430=1, 2.1/5432=1 QG1 VAL 76 - HA ARG 84 OK 10 96 - 11 - 3.9/5431=2, 5430=1, 2.1/5432=1 QG2 VAL 41 - HA ARG 84 lone 9 94 - 10 - 2.1/5626=2, 5625=2 QG2 VAL 76 - HA LEU 29 poor 9 69 - 13 - 3.9/5431=2, 2.1/5432=1...(6) QG1 VAL 76 - HA LEU 29 poor 9 69 - 13 - 3.9/5431=2, 2.1/5432=1...(6) QD2 LEU 62 - HA ARG 84 lone 8 97 - 8 - QG2 VAL 41 - HA LEU 29 poor 8 66 - 12 - 2.1/5626=3, 5625=3, 4328/3.6=2 QG1 VAL 90 - HA LEU 29 poor 6 41 - 15 - 4.0/412=3, ~5348=2...(6) QD2 LEU 43 - HA ARG 84 lone 6 79 - 7 - HG12 ILE 68 - HA LEU 29 lone 6 69 - 9 - ~5817=2, 2.1/5403=2, 5816/3.6=1 QG2 VAL 90 - HA LEU 29 poor 6 39 - 15 - 4.0/412=3, ~5348=2...(6) HG12 ILE 68 - HA ARG 84 lone 5 96 - 5 - QD2 LEU 43 - HA LYS 73 lone 5 82 - 6 - QD1 LEU 64 - HA ARG 82 poor 5 26 - 18 - ~5480=3, 2.1/5481=2...(9) QG2 ILE 40 - HA LEU 29 lone 4 70 - 6 - 4326/3.6=1 QG2 ILE 40 - HA ARG 84 lone 4 97 - 4 - QD1 LEU 64 - HA ARG 84 lone 4 55 - 8 - ~5015=1, 5013/3.0=1 QG1 VAL 90 - HA LYS 73 lone 4 66 - 6 - 4.0/412=2 QG2 VAL 90 - HA LYS 73 lone 4 63 - 6 - 4.0/412=2 QG2 VAL 76 - HA ARG 82 lone 3 53 - 6 - ~5448=1 QG1 VAL 76 - HA ARG 82 lone 3 53 - 6 - ~5448=1 QD1 LEU 64 - HA LYS 73 lone 3 58 - 5 - QG1 VAL 90 - HA ARG 84 lone 2 63 - 4 - 4.0/412=1 QG2 VAL 90 - HA ARG 84 lone 2 60 - 4 - 4.0/412=1 QG2 VAL 41 - HA ARG 82 lone 2 50 - 4 - 2.1/5626=1 QD2 LEU 62 - HA ARG 82 lone 2 53 - 3 - QG1 VAL 90 - HA ARG 82 lone 1 30 - 4 - QG2 VAL 90 - HA ARG 82 lone 1 29 - 4 - HG12 ILE 68 - HA ARG 82 lone 1 53 - 2 - QG2 ILE 40 - HA ARG 82 lone 1 53 - 2 - QD2 LEU 43 - HA ARG 82 lone 1 40 - 2 - Peak 5403 from cnoeabs.peaks (0.80, 4.18, 56.67 ppm; 4.08 A): 5 out of 16 assignments used, quality = 0.92: QG1 VAL 41 + HA LYS 73 OK 62 99 - 63 - 5626=17, 4904/3.8=13...(16) QD1 ILE 89 + HA LYS 73 OK 50 89 - 57 - 3633=7, 2.1/3619=6...(20) QG2 ILE 68 + HA LYS 73 OK 28 92 - 31 - 5264/3.0=7, ~5264=2...(15) QD1 ILE 89 + HA ARG 84 OK 27 86 - 31 - 3633=4, 3.1/3612=4...(16) QD1 ILE 68 + HA LYS 73 OK 22 89 - 25 - 5264/3.0=5, ~5264=3...(10) QD1 ILE 89 - HA LEU 29 OK 21 59 - 35 - 3.1/3612=5, 6150/3.0=5...(12) QD1 ILE 68 - HA LEU 29 OK 12 59 - 20 - 4758/4.9=12, 3939/3.6=2, ~5817=2 QG1 VAL 41 - HA ARG 84 OK 11 97 - 11 - 5626=3, 2.1/5625=2, 5909/3.0=1 QG1 VAL 41 - HA LEU 29 OK 11 70 - 15 - 5626=4, 2.1/5625=3...(4) QG2 ILE 68 - HA ARG 84 lone 6 89 - 6 - QG2 ILE 68 - HA LEU 29 lone 6 62 - 9 - 4755/4.9=2, 3936/3.6=2, ~5817=1 QD1 ILE 68 - HA ARG 84 lone 4 86 - 5 - 5377/3.0=1 QD1 ILE 89 - HA ARG 82 lone 3 45 - 6 - QG1 VAL 41 - HA ARG 82 lone 3 54 - 5 - 5626=1 QD1 ILE 68 - HA ARG 82 lone 2 45 - 4 - 4759/3.8=1 QG2 ILE 68 - HA ARG 82 lone 1 47 - 2 - Peak 5412 from cnoeabs.peaks (8.22, 1.38, 18.78 ppm; 3.49 A): 3 out of 32 assignments used, quality = 1.00: H ALA 77 + QB ALA 77 OK 100 100 - 100 - 2.9=100 H GLN 79 + QB ALA 78 OK 86 90 - 95 - 3.6=94, 5857/2.9=10...(7) H ALA 77 + QB ALA 78 OK 45 91 - 50 - 5857/2.9=11, 818=8...(14) H GLN 79 - QB ALA 77 OK 26 99 - 27 - 5857/3.6=8, 358=6...(8) H ALA 77 - QB ALA 20 OK 11 100 - 11 - 818=2, 349/4.8=1, 349/4.8=1 H SER 22 - QB ALA 20 lone 7 96 - 8 - 3.5/6114=3, 3.5/6114=3 H ALA 28 - QB ALA 77 lone 6 98 - 6 - H SER 22 - QB ALA 77 lone 5 97 - 5 - 4.5/34=1 H GLU 25 - QB ALA 77 lone 4 81 - 4 - H GLU 25 - QB ALA 20 lone 3 80 - 4 - H GLN 79 - QB ALA 20 lone 3 99 - 3 - H THR 15 - QB ALA 77 lone 3 87 - 3 - H THR 15 - QB ALA 20 lone 3 86 - 3 - H GLU 25 - QB ALA 16 lone 3 44 - 6 - 50/2.9=2, 1128/5.0=1 H ALA 77 - QB ALA 16 lone 3 63 - 4 - H ALA 28 - QB ALA 20 lone 2 98 - 3 - H GLU 25 - QB ALA 78 lone 3 69 - 4 - H ARG 84 - QB ALA 77 lone 2 76 - 3 - H ALA 28 - QB ALA 78 lone 2 88 - 2 - H ARG 84 - QB ALA 78 lone 2 64 - 3 - H SER 22 - QB ALA 78 lone 2 86 - 2 - H ALA 12 - QB ALA 77 lone 2 89 - 2 - H ALA 28 - QB ALA 16 lone 2 59 - 3 - H ARG 84 - QB ALA 20 lone 2 75 - 2 - H SER 22 - QB ALA 16 lone 2 58 - 3 - H ALA 12 - QB ALA 16 lone 1 50 - 3 - H ALA 12 - QB ALA 20 lone 1 88 - 2 - H THR 15 - QB ALA 78 lone 1 75 - 2 - H ARG 84 - QB ALA 16 lone 1 41 - 3 - H ALA 12 - QB ALA 78 lone 1 77 - 1 - H GLN 79 - QB ALA 16 lone 1 62 - 1 - H THR 15 - QB ALA 16 lone 1 49 - 1 - Peak 5416 from cnoeabs.peaks (4.20, 2.33, 33.49 ppm; 3.77 A): 2 out of 14 assignments used, quality = 1.00: * HA GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.7=100 HA GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.7=100 HA ALA 78 - HG2 GLN 79 OK 26 98 - 26 - 3.6/5415=10, 2.1/5444=5...(7) HA ALA 78 - HG3 GLN 79 OK 26 98 - 26 - 3.6/5415=10, 2.1/5444=5...(7) HA ARG 82 - HG2 GLN 79 lone 6 81 - 7 - 3197/3.0=1, 3205/3.0=1, 3192=1 HA ARG 82 - HG3 GLN 79 lone 6 81 - 7 - 3197/3.0=1, 3205/3.0=1, 3192=1 HA ARG 84 - HG2 GLN 79 lone 4 95 - 4 - HA ARG 84 - HG3 GLN 79 lone 4 95 - 4 - HA LYS 73 - HG3 GLN 79 lone 3 87 - 4 - HA LYS 73 - HG2 GLN 79 lone 3 87 - 4 - HB THR 37 - HG3 GLN 79 lone 1 68 - 2 - HB THR 37 - HG2 GLN 79 lone 1 68 - 2 - HA ILE 89 - HG3 GLN 79 lone 1 63 - 1 - HA ILE 89 - HG2 GLN 79 lone 1 63 - 1 - Peak 5417 from cnoeabs.peaks (8.22, 2.33, 33.49 ppm; 4.73 A): 2 out of 16 assignments used, quality = 1.00: * H GLN 79 + HG2 GLN 79 OK 95 100 - 95 - 5.1=80, 5415/1.8=21...(10) H GLN 79 + HG3 GLN 79 OK 95 100 - 95 - 5.1=80, 5415/1.8=21...(10) H ALA 77 - HG2 GLN 79 OK 38 98 - 39 - 3.6/5852=15, 5445/3.7=6...(8) H ALA 77 - HG3 GLN 79 OK 38 98 - 39 - 3.6/5852=15, 5445/3.7=6...(8) H ALA 28 - HG2 GLN 79 lone 8 100 - 8 - 5867/3.0=1, 5445/3.7=1 H ALA 28 - HG3 GLN 79 lone 8 100 - 8 - 5867/3.0=1, 5445/3.7=1 H GLU 25 - HG3 GLN 79 lone 7 90 - 7 - 524/1.8=1, 524=1 H GLU 25 - HG2 GLN 79 lone 7 90 - 7 - 524/1.8=1, 524=1 H ARG 84 - HG2 GLN 79 lone 6 87 - 7 - 5445/3.7=1 H ARG 84 - HG3 GLN 79 lone 6 87 - 7 - 5445/3.7=1 H THR 15 - HG2 GLN 79 lone 5 95 - 5 - 5906/3.0=2, 5906/3.0=1 H THR 15 - HG3 GLN 79 lone 5 95 - 5 - 5906/3.0=2, 5906/3.0=1 H SER 22 - HG2 GLN 79 lone 4 99 - 4 - H SER 22 - HG3 GLN 79 lone 4 99 - 4 - H ALA 12 - HG3 GLN 79 lone 2 78 - 2 - H ALA 12 - HG2 GLN 79 lone 2 78 - 2 - Peak 5423 from cnoeabs.peaks (4.61, 2.70, 38.61 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.98: * HA ASN 80 + HB2 ASN 80 OK 98 98 - 100 - 3.0=100 HA ASN 74 - HB2 ASN 80 OK 33 100 - 33 - 5424=10, 6012/1.8=5...(12) HA PRO 36 - HB2 ASN 80 lone 5 99 - 5 - Peak 5424 from cnoeabs.peaks (2.70, 4.62, 53.37 ppm; 3.45 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ASN 80 + HA ASN 80 OK 100 100 - 100 - 3.0=100 HB2 ASN 80 - HA ASN 74 OK 31 100 - 31 - 5423=10, 1.8/6012=4...(11) HD2 PRO 34 - HA ASN 80 OK 15 83 - 18 - 5877/3.0=2, ~1733=2...(10) HB2 ASP 46 - HA ASN 80 lone 4 100 - 4 - HD2 PRO 34 - HA ASN 74 lone 3 81 - 4 - ~4859=1 HB3 ASN 49 - HA ASN 80 lone 2 71 - 2 - HB2 ASP 46 - HA ASN 74 lone 1 99 - 1 - HB3 ASN 49 - HA ASN 74 lone 0 69 - 1 - Peak 5430 from cnoeabs.peaks (4.20, 0.92, 20.67 ppm; 3.97 A): 5 out of 32 assignments used, quality = 0.95: HA LYS 73 + QG2 VAL 76 OK 51 89 - 58 - 16037/2.1=32, 5402=6...(17) HA LYS 73 + QG1 VAL 76 OK 51 88 - 58 - 16037/2.1=32, 5402=6...(17) HA GLN 79 + QG2 VAL 76 OK 45 100 - 45 - ~16044=12, 5432/2.1=5...(16) HA GLN 79 + QG1 VAL 76 OK 45 100 - 45 - ~16044=12, 5432/2.1=5...(16) HA ALA 78 + QG2 VAL 76 OK 32 97 - 33 - 2.9/5861=8, ~5861=5...(13) HA ALA 78 - QG1 VAL 76 OK 31 97 - 33 - 2.9/5861=8, ~5861=5...(13) HA ARG 84 - QG2 VAL 76 lone 10 96 - 10 - 5431/3.9=2, 5432/2.1=1, 5402=1 HA ARG 84 - QG1 VAL 76 lone 9 95 - 10 - 5431/3.9=2, 5432/2.1=1, 5402=1 HA ILE 89 - QG1 VAL 90 poor 6 41 - 15 - 4038/4.0=13, 5432/2.1=1 HA ILE 89 - QG2 VAL 90 poor 6 40 - 15 - 4038/4.0=13, 5432/2.1=1 HB THR 37 - QG2 VAL 76 lone 5 65 - 8 - 2.1/4885=1 HB THR 37 - QG1 VAL 76 lone 5 65 - 8 - 2.1/4885=1 HA ARG 82 - QG2 VAL 76 lone 5 83 - 6 - ~5448=1 HA ARG 82 - QG1 VAL 76 lone 5 82 - 6 - ~5448=1 HA GLN 79 - QG1 VAL 90 lone 4 74 - 5 - HA GLN 79 - QG2 VAL 90 lone 4 72 - 5 - HA LYS 73 - QG1 VAL 90 lone 3 60 - 6 - 412/4.0=2 HA LYS 73 - QG2 VAL 90 lone 3 58 - 6 - 412/4.0=2 HA ALA 78 - QG1 VAL 90 lone 3 69 - 4 - HA ALA 78 - QG2 VAL 90 lone 2 67 - 4 - HA ILE 89 - QG2 VAL 76 lone 2 65 - 4 - HA ILE 89 - QG1 VAL 76 lone 2 65 - 4 - HA ARG 84 - QG1 VAL 90 lone 2 67 - 3 - HA ARG 82 - QG1 VAL 90 lone 2 55 - 4 - HA ARG 84 - QG2 VAL 90 lone 2 65 - 3 - HA ARG 82 - QG2 VAL 90 lone 2 53 - 4 - HB THR 15 - QG2 VAL 76 lone 2 60 - 3 - HB THR 15 - QG1 VAL 76 lone 2 59 - 3 - HB THR 37 - QG1 VAL 90 lone 1 41 - 3 - HB THR 37 - QG2 VAL 90 lone 1 40 - 3 - HB THR 15 - QG1 VAL 90 lone 0 38 - 1 - HB THR 15 - QG2 VAL 90 lone 0 36 - 1 - Peak 5432 from cnoeabs.peaks (4.18, 2.04, 32.56 ppm; 4.48 A): 7 out of 27 assignments used, quality = 0.93: * HA LYS 73 + HB VAL 76 OK 69 99 - 69 - 16037=50, 5431/4.0=7...(15) HA GLN 79 + HB VAL 76 OK 49 96 - 52 - ~16044=17, ~6011=5...(14) HA ALA 78 + HB VAL 76 OK 27 81 - 33 - ~5861=7, 3990/4.4=5...(12) HA ILE 89 + HB VAL 90 OK 14 56 - 25 - 4038/3.9=23 HA LEU 29 + HB VAL 76 OK 13 71 - 18 - 5431/4.0=3, 3.0/3161=2...(6) HA LEU 29 + HB3 MET 31 OK 12 39 - 32 - 5526/4.0=5, ~3772=4...(12) HA ARG 84 + HB VAL 76 OK 12 100 - 11 - 5431/4.0=2, 6037=2...(4) HA LEU 29 - HB VAL 90 poor 9 41 - 21 - 412/3.9=4, ~5348=3...(9) HA ALA 53 - HB VAL 76 lone 8 78 - 10 - 2.1/5699=2, 3.0/5698=2...(5) HA ARG 82 - HB VAL 76 lone 7 98 - 7 - 3.0/5448=2 HA ILE 89 - HB3 MET 31 poor 6 53 - 12 - ~6121=3, ~4200=2...(4) HA LYS 73 - HB VAL 90 lone 4 66 - 7 - 412/3.9=3 HA ILE 89 - HB VAL 76 lone 4 90 - 4 - HB THR 15 - HB VAL 76 lone 4 87 - 4 - HA GLN 79 - HB VAL 90 lone 3 61 - 5 - HA ARG 84 - HB VAL 90 lone 3 68 - 5 - 412/3.9=2 HA LYS 73 - HB3 MET 31 lone 3 62 - 5 - 4205/4.7=1, 5526/4.0=1 HA ARG 82 - HB VAL 90 lone 3 64 - 5 - HA GLN 79 - HB3 MET 31 lone 2 58 - 4 - HA ALA 53 - HB3 MET 31 lone 2 44 - 5 - 4560/4.0=2, 3.0/5698=1 HA ARG 84 - HB3 MET 31 lone 2 65 - 3 - HA ALA 78 - HB VAL 90 lone 2 48 - 4 - HA ARG 82 - HB3 MET 31 lone 1 61 - 2 - HB THR 15 - HB VAL 90 lone 1 53 - 2 - HA ALA 78 - HB3 MET 31 lone 1 45 - 2 - HA ALA 53 - HB VAL 90 lone 1 46 - 2 - HB THR 15 - HB3 MET 31 lone 1 50 - 2 - Peak 5435 from cnoeabs.peaks (1.37, 3.97, 62.83 ppm; 4.48 A): 5 out of 12 assignments used, quality = 0.99: HG3 ARG 69 + HA VAL 76 OK 77 100 - 77 - 3944/3.0=9, 3.0/5047=8...(34) QB ALA 77 + HA VAL 76 OK 72 100 - 72 - 2.9/349=27, 2.1/5856=10...(16) HB3 ARG 69 + HA VAL 76 OK 59 76 - 79 - 1.8/5047=10, 4766=8...(37) HG2 LYS 75 + HA VAL 76 OK 46 87 - 53 - 3.9/5856=10, ~340=9...(16) HG3 LYS 75 + HA VAL 76 OK 46 87 - 53 - 3.9/5856=10, ~340=9...(16) QB ALA 78 - HA VAL 76 OK 36 90 - 40 - 3.6/3984=8, 818/3.6=6...(14) HG3 LYS 73 - HA VAL 76 OK 35 90 - 39 - 2.9/5853=6, 4.9/320=5...(17) HG2 LYS 85 - HA VAL 76 OK 12 99 - 12 - 6145/4.7=2, 3.8/5856=1 QB ALA 53 - HA VAL 76 OK 11 81 - 13 - 4962=3, 2.9/4549=2, 5699/3.0=2 QB ALA 20 - HA VAL 76 lone 9 99 - 9 - 818/3.6=1 HG2 LYS 83 - HA VAL 76 lone 7 100 - 7 - QB ALA 16 - HA VAL 76 lone 3 96 - 3 - Peak 5436 from cnoeabs.peaks (1.37, 2.04, 32.56 ppm; 5.17 A): 4 out of 39 assignments used, quality = 0.99: QB ALA 77 + HB VAL 76 OK 73 100 - 73 - 2.9/350=22, ~349=17...(13) HG3 ARG 69 + HB VAL 76 OK 72 100 - 73 - 3944/4.0=10, 5435/3.0=7...(28) HB3 ARG 69 + HB VAL 76 OK 59 83 - 71 - 4766/3.0=8, ~5047=8...(25) HG3 LYS 73 + HB VAL 76 OK 55 95 - 58 - 3.8/16037=37, ~5853=5...(13) QB ALA 78 - HB VAL 76 OK 40 95 - 43 - ~5861=9, 818/4.4=6...(13) HG2 LYS 75 - HB VAL 76 OK 39 92 - 43 - 4.9/813=14, ~5853=5...(17) HG3 LYS 75 - HB VAL 76 OK 39 92 - 43 - 4.9/813=14, ~5853=5...(17) QB ALA 53 - HB VAL 76 OK 13 87 - 15 - 4962/3.0=3, 2.9/5698=2...(5) HG2 LYS 85 - HB VAL 76 OK 10 100 - 10 - 5435/3.0=1, 5066/4.0=1 QB ALA 20 - HB VAL 76 lone 10 100 - 9 - 818/4.4=1 HG3 ARG 69 - HB VAL 90 lone 7 68 - 9 - HG3 LYS 39 - HB VAL 76 poor 6 57 - 11 - ~5119=1, ~5853=1, ~6031=1 HG2 LYS 83 - HB VAL 76 lone 6 99 - 6 - HG3 ARG 69 - HB3 MET 31 lone 5 65 - 8 - 3944/4.7=4 QB ALA 77 - HB VAL 90 lone 5 68 - 7 - QB ALA 77 - HB3 MET 31 lone 5 65 - 8 - ~6117=4, 2.9/350=2 HB3 ARG 69 - HB VAL 90 lone 4 50 - 9 - HB3 ARG 69 - HB3 MET 31 lone 4 47 - 9 - 3942/4.7=3 HG3 LYS 73 - HB VAL 90 lone 3 60 - 5 - QB ALA 20 - HB3 MET 31 lone 3 64 - 5 - 4.8/4151=1, 4.8/4151=1 QB ALA 78 - HB VAL 90 lone 3 60 - 5 - ~5861=1 QB ALA 16 - HB VAL 76 lone 3 92 - 3 - HG2 LYS 85 - HB VAL 90 lone 3 68 - 4 - HG2 LYS 85 - HB3 MET 31 lone 3 64 - 4 - HG3 LYS 75 - HB VAL 90 lone 3 57 - 4 - HG2 LYS 75 - HB VAL 90 lone 3 57 - 4 - QB ALA 53 - HB3 MET 31 lone 2 50 - 5 - 2.9/5698=1 HG2 LYS 75 - HB3 MET 31 lone 2 54 - 4 - 4.9/813=2 HG3 LYS 75 - HB3 MET 31 lone 2 54 - 4 - 4.9/813=2 QB ALA 20 - HB VAL 90 lone 2 68 - 3 - QB ALA 78 - HB3 MET 31 lone 2 57 - 3 - HG3 LYS 73 - HB3 MET 31 lone 2 57 - 3 - HG2 LYS 83 - HB VAL 90 lone 2 66 - 2 - QB ALA 53 - HB VAL 90 lone 1 53 - 2 - HG2 LYS 83 - HB3 MET 31 lone 1 63 - 2 - QB ALA 16 - HB VAL 90 lone 1 57 - 2 - QB ALA 16 - HB3 MET 31 lone 1 54 - 2 - HG3 LYS 39 - HB VAL 90 lone 1 32 - 3 - HG3 LYS 39 - HB3 MET 31 lone 1 30 - 2 - Peak 5437 from cnoeabs.peaks (0.91, 4.23, 52.70 ppm; 4.34 A): 5 out of 30 assignments used, quality = 0.92: QG1 VAL 76 + HA ALA 77 OK 63 97 - 65 - 352/3.0=14, ~350=11...(14) QG2 VAL 76 + HA ALA 77 OK 63 97 - 65 - 351/3.0=14, ~350=11...(14) QG2 VAL 76 + HA ALA 78 OK 17 49 - 36 - 5861/2.9=10, ~5861=6...(15) QG1 VAL 76 + HA ALA 78 OK 17 49 - 36 - 5861/2.9=10, ~5861=6...(15) HG12 ILE 68 + HA ALA 20 OK 13 46 - 29 - 2763/3.0=6, ~2770=5...(8) HG12 ILE 68 - HA ALA 77 lone 7 97 - 8 - 351/3.0=2, 3.2/4763=1...(4) QG2 ILE 40 - HA ALA 77 lone 7 83 - 8 - 352/3.0=1, 3.0/4314=1...(4) QG1 VAL 90 - HA ALA 77 lone 6 97 - 6 - 5861/3.6=1 QG2 VAL 90 - HA ALA 77 lone 6 97 - 6 - QG2 VAL 41 - HA ALA 77 lone 5 71 - 7 - 351/3.0=1 QD2 LEU 62 - HA ALA 77 lone 3 83 - 4 - QG2 VAL 41 - HA ALA 20 lone 3 30 - 9 - 4337=1, 2.1/4334=1 QG2 ILE 40 - HA ALA 20 lone 3 36 - 7 - 5616/3.0=2 QG2 VAL 76 - HA ALA 20 lone 2 46 - 5 - QG1 VAL 76 - HA ALA 20 lone 2 46 - 5 - QG1 VAL 90 - HA ALA 78 lone 2 50 - 4 - 5861/2.9=1 QG2 VAL 90 - HA ALA 78 lone 2 49 - 4 - 5861/2.9=1 HG LEU 51 - HA ALA 77 lone 2 87 - 2 - QG2 ILE 40 - HA ALA 78 lone 2 39 - 4 - 5861/2.9=1 HG12 ILE 68 - HA ALA 78 lone 2 49 - 3 - 5861/2.9=1 QD1 LEU 86 - HA ALA 77 lone 2 78 - 2 - QG2 VAL 41 - HA ALA 78 lone 1 32 - 4 - QD2 LEU 62 - HA ALA 78 lone 1 39 - 3 - 5861/2.9=1 QD2 LEU 62 - HA ALA 20 lone 1 36 - 2 - HG LEU 51 - HA ALA 78 lone 1 41 - 2 - QG1 VAL 90 - HA ALA 20 lone 1 47 - 1 - QG2 VAL 90 - HA ALA 20 lone 1 46 - 1 - QD1 LEU 86 - HA ALA 78 lone 1 36 - 2 - HG LEU 51 - HA ALA 20 lone 1 39 - 1 - QD1 LEU 86 - HA ALA 20 lone 0 34 - 1 - Peak 5438 from cnoeabs.peaks (7.47, 2.33, 33.49 ppm; 4.68 A): 2 out of 4 assignments used, quality = 1.00: * HE21 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.5=100 HE21 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.5=100 HE21 GLN 61 - HG2 GLN 79 lone 6 87 - 6 - HE21 GLN 61 - HG3 GLN 79 lone 6 87 - 6 - Peak 5444 from cnoeabs.peaks (1.38, 2.33, 33.49 ppm; 4.62 A): 4 out of 26 assignments used, quality = 0.76: QB ALA 78 + HG2 GLN 79 OK 38 100 - 38 - 3.6/5415=15, 5.0/3193=12...(7) QB ALA 78 + HG3 GLN 79 OK 38 100 - 38 - 3.6/5415=15, 5.0/3193=12...(7) QB ALA 77 + HG2 GLN 79 OK 21 99 - 22 - 5446/3.7=5, 358/5.1=4...(7) QB ALA 77 + HG3 GLN 79 OK 21 99 - 22 - 5446/3.7=5, 358/5.1=4...(7) HG2 LYS 75 - HG3 GLN 79 lone 5 99 - 5 - 5446/3.7=2, 358/5.1=1 HG2 LYS 75 - HG2 GLN 79 lone 5 99 - 5 - 5446/3.7=2, 358/5.1=1 HG3 LYS 75 - HG3 GLN 79 lone 5 99 - 5 - 5446/3.7=2, 358/5.1=1 HG3 LYS 75 - HG2 GLN 79 lone 5 99 - 5 - 5446/3.7=2, 358/5.1=1 HG3 LYS 73 - HG2 GLN 79 lone 5 100 - 5 - 5446/3.7=1 HG3 LYS 73 - HG3 GLN 79 lone 5 100 - 5 - 5446/3.7=1 HB3 ARG 69 - HG3 GLN 79 lone 5 96 - 5 - 4766/5852=1 HB3 ARG 69 - HG2 GLN 79 lone 5 96 - 5 - 4766/5852=1 HG3 ARG 69 - HG2 GLN 79 lone 4 99 - 4 - 5435/5852=1 HG3 ARG 69 - HG3 GLN 79 lone 4 99 - 4 - 5435/5852=1 HG2 LYS 85 - HG3 GLN 79 lone 3 100 - 3 - HG2 LYS 85 - HG2 GLN 79 lone 3 100 - 3 - QB ALA 20 - HG2 GLN 79 lone 3 100 - 3 - QB ALA 20 - HG3 GLN 79 lone 3 100 - 3 - QB ALA 53 - HG3 GLN 79 lone 3 97 - 3 - QB ALA 53 - HG2 GLN 79 lone 3 97 - 3 - HG2 LYS 83 - HG2 GLN 79 lone 3 93 - 3 - HG2 LYS 83 - HG3 GLN 79 lone 3 93 - 3 - HG3 LYS 39 - HG2 GLN 79 lone 2 78 - 2 - HG3 LYS 39 - HG3 GLN 79 lone 2 78 - 2 - QB ALA 16 - HG2 GLN 79 lone 1 76 - 2 - QB ALA 16 - HG3 GLN 79 lone 1 76 - 2 - Peak 5445 from cnoeabs.peaks (8.21, 4.20, 56.12 ppm; 3.71 A): 1 out of 16 assignments used, quality = 1.00: * H GLN 79 + HA GLN 79 OK 100 100 - 100 - 3.0=100 H ALA 77 - HA GLN 79 OK 29 97 - 30 - 2.9/5446=4, 5867/3.0=3...(13) H GLN 79 - HA ARG 82 poor 9 74 - 12 - ~6050=2, 823=2, ~5473=1 H ARG 84 - HA ARG 82 poor 8 61 - 13 - 841=2, 4.3/6062=1, 4.3/6051=1 H ARG 84 - HA GLN 79 lone 7 90 - 8 - 841=1 H ALA 28 - HA GLN 79 lone 5 100 - 5 - H THR 15 - HA GLN 79 lone 3 97 - 3 - 5906/3.0=1 H GLU 25 - HA GLN 79 lone 3 93 - 3 - H SER 22 - HA ARG 82 lone 2 73 - 3 - ~5474=1 H SER 22 - HA GLN 79 lone 2 100 - 2 - H ALA 28 - HA ARG 82 lone 2 74 - 2 - H ALA 77 - HA ARG 82 lone 2 68 - 3 - H THR 15 - HA ARG 82 lone 2 68 - 2 - H ALA 12 - HA GLN 79 lone 1 73 - 2 - H GLU 25 - HA ARG 82 lone 1 64 - 2 - H ALA 12 - HA ARG 82 lone 0 47 - 1 - Peak 5446 from cnoeabs.peaks (1.39, 4.20, 56.12 ppm; 3.72 A): 2 out of 26 assignments used, quality = 0.69: QB ALA 78 + HA GLN 79 OK 58 100 - 58 - 5.0=42, 5412/3.0=8...(11) QB ALA 77 + HA GLN 79 OK 25 97 - 26 - 2.9/5445=5, 358/3.0=5...(10) HG2 LYS 75 - HA GLN 79 lone 10 100 - 10 - 4.9/5431=3, 358/3.0=1 HG3 LYS 75 - HA GLN 79 lone 10 100 - 10 - 4.9/5431=3, 358/3.0=1 HG3 LYS 73 - HA ARG 82 poor 10 74 - 13 - 2.9/6051=2, 5897/3.6=2...(5) HG3 LYS 73 - HA GLN 79 lone 8 100 - 7 - 2.9/6051=1, 358/3.0=1 HG2 LYS 85 - HA ARG 82 lone 5 70 - 8 - 5897/3.6=2, 2.9/6062=1 HG3 LYS 39 - HA ARG 82 lone 5 56 - 9 - ~5478=1 HG2 LYS 85 - HA GLN 79 lone 5 99 - 5 - HG2 LYS 83 - HA ARG 82 lone 5 59 - 8 - 2.9/6062=2, 2.9/6051=2 HG2 LYS 83 - HA GLN 79 lone 4 89 - 5 - HG2 LYS 75 - HA ARG 82 lone 4 73 - 6 - 5897/3.6=1 HG3 LYS 75 - HA ARG 82 lone 4 73 - 6 - 5897/3.6=1 QB ALA 78 - HA ARG 82 lone 4 74 - 6 - 3.6/5445=1, ~5473=1, 4685/5868=1 HB3 ARG 69 - HA GLN 79 lone 4 98 - 4 - HG3 ARG 69 - HA GLN 79 lone 4 98 - 4 - QB ALA 53 - HA ARG 82 lone 2 71 - 3 - QB ALA 20 - HA GLN 79 lone 2 99 - 2 - HG3 LYS 39 - HA GLN 79 lone 2 85 - 2 - QB ALA 53 - HA GLN 79 lone 2 99 - 2 - QB ALA 77 - HA ARG 82 lone 2 69 - 3 - HG3 ARG 69 - HA ARG 82 lone 1 70 - 2 - HB3 ARG 69 - HA ARG 82 lone 1 70 - 2 - QB ALA 20 - HA ARG 82 lone 1 70 - 1 - QB ALA 16 - HA GLN 79 lone 1 68 - 1 - QB ALA 16 - HA ARG 82 lone 1 43 - 2 - Peak 5448 from cnoeabs.peaks (8.05, 2.04, 32.56 ppm; 6.50 A): 0 out of 9 assignments used, low quality = 0.39: H GLN 91 - HB VAL 90 OK 39 39 - 100 - 4.4=100 H ARG 82 - HB VAL 76 lone 10 97 - 10 - 5473/16037=2, 3.0/5432=1 H GLN 91 - HB VAL 76 poor 8 68 - 11 - 3.6/3641=2, 4.6/884=1...(4) H TYR 81 - HB VAL 76 lone 8 98 - 8 - 3.0/4153=1, 5882/16037=1 H ARG 82 - HB VAL 90 lone 4 62 - 6 - H TYR 81 - HB VAL 90 lone 3 64 - 5 - H ARG 82 - HB3 MET 31 lone 2 59 - 4 - H TYR 81 - HB3 MET 31 lone 2 61 - 4 - H GLN 91 - HB3 MET 31 lone 2 37 - 5 - Peak 5451 from cnoeabs.peaks (4.46, 3.03, 38.06 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 81 + HB2 TYR 81 OK 100 100 - 100 - 3.0=100 HA SER 22 - HB2 TYR 81 OK 31 97 - 32 - 5452/1.8=8, 5454=7...(11) HA PRO 14 - HB2 TYR 81 OK 10 100 - 10 - 5452/1.8=3, 4674/2.5=2...(4) HA ASP 67 - HB2 TYR 81 lone 3 85 - 4 - HA ASP 24 - HB2 TYR 81 lone 2 60 - 3 - HA THR 58 - HB2 TYR 81 lone 1 71 - 1 - Peak 5452 from cnoeabs.peaks (4.46, 2.98, 38.06 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * HA TYR 81 + HB3 TYR 81 OK 100 100 - 100 - 3.0=100 HA SER 22 - HB3 TYR 81 OK 33 97 - 34 - 5455=9, 5451/1.8=8...(12) HA PRO 14 - HB3 TYR 81 OK 11 100 - 11 - 5451/1.8=3, 4674/2.5=2...(4) HA ASP 67 - HB3 TYR 81 lone 3 85 - 4 - HA ASP 24 - HB3 TYR 81 lone 2 60 - 3 - HA THR 58 - HB3 TYR 81 lone 1 71 - 1 - Peak 5454 from cnoeabs.peaks (3.03, 4.46, 58.30 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HB2 TYR 81 + HA TYR 81 OK 100 100 - 100 - 3.0=100 HB2 TYR 81 - HA SER 22 OK 30 95 - 31 - 5451=9, 1.8/5452=7...(10) HD3 ARG 54 - HA TYR 81 OK 22 100 - 22 - 4676/3.7=5, 5065/3.0=3...(12) HD2 ARG 54 - HA TYR 81 OK 22 100 - 22 - 4676/3.7=5, 5065/3.0=3...(12) HD3 ARG 54 - HA SER 22 OK 16 95 - 17 - 2348/3.0=2, 4571/3.0=2...(9) HD2 ARG 54 - HA SER 22 OK 16 94 - 17 - 2348/3.0=2, 4571/3.0=2...(9) Peak 5455 from cnoeabs.peaks (2.98, 4.46, 58.30 ppm; 3.30 A): 1 out of 22 assignments used, quality = 1.00: * HB3 TYR 81 + HA TYR 81 OK 100 100 - 100 - 3.0=100 HB3 TYR 81 - HA SER 22 OK 28 95 - 29 - 5452=8, 1.8/5451=7...(9) HE3 LYS 39 - HA TYR 81 lone 4 100 - 4 - HE2 LYS 39 - HA TYR 81 lone 4 100 - 4 - HE2 LYS 75 - HA TYR 81 lone 2 87 - 2 - HE3 LYS 75 - HA TYR 81 lone 2 85 - 2 - HE2 LYS 73 - HA TYR 81 lone 2 68 - 2 - HE3 LYS 73 - HA TYR 81 lone 2 65 - 2 - HE2 LYS 13 - HA TYR 81 lone 1 96 - 1 - HE3 LYS 13 - HA TYR 81 lone 1 95 - 1 - HE3 LYS 32 - HA TYR 81 lone 1 71 - 2 - HE2 LYS 32 - HA TYR 81 lone 1 68 - 2 - HE3 LYS 39 - HA SER 22 lone 1 95 - 1 - HE2 LYS 39 - HA SER 22 lone 1 95 - 1 - HE2 LYS 75 - HA SER 22 lone 1 79 - 1 - HE3 LYS 75 - HA SER 22 lone 1 77 - 1 - HE2 LYS 13 - HA SER 22 lone 1 88 - 1 - HE3 LYS 13 - HA SER 22 lone 1 87 - 1 - HE2 LYS 73 - HA SER 22 lone 0 61 - 1 - HE3 LYS 32 - HA SER 22 lone 0 63 - 1 - HE3 LYS 73 - HA SER 22 lone 0 58 - 1 - HE2 LYS 32 - HA SER 22 lone 0 61 - 1 - Peak 5456 from cnoeabs.peaks (4.45, 4.46, 58.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA TYR 81 + HA TYR 81 OK 100 100 - 100 HA SER 22 + HA SER 22 OK 93 93 - 100 Peak 5458 from cnoeabs.peaks (4.21, 3.03, 38.06 ppm; 4.56 A): 5 out of 7 assignments used, quality = 0.91: * HA ALA 78 + HB2 TYR 81 OK 77 100 - 77 - 15862=50, 6048/2.5=23...(7) HA GLN 79 + HB2 TYR 81 OK 35 98 - 36 - 5868/2.5=15, 5459/1.8=8...(6) HA ARG 84 + HB2 TYR 81 OK 18 78 - 23 - 5459/1.8=4, 5882/3.9=3...(9) HA ALA 77 + HB2 TYR 81 OK 15 65 - 22 - 5862=7, 5882/3.9=4...(5) HA LYS 73 + HB2 TYR 81 OK 12 69 - 17 - 4675/2.5=4, 5459/1.8=3...(8) HA LYS 85 - HB2 TYR 81 lone 3 76 - 3 - HB THR 37 - HB2 TYR 81 lone 2 89 - 2 - Peak 5459 from cnoeabs.peaks (4.21, 2.98, 38.06 ppm; 4.70 A): 5 out of 7 assignments used, quality = 0.91: * HA ALA 78 + HB3 TYR 81 OK 76 100 - 76 - 15862/1.8=42, 6049=28...(7) HA GLN 79 + HB3 TYR 81 OK 37 98 - 37 - 5868/2.5=16, 5458/1.8=9...(5) HA ARG 84 + HB3 TYR 81 OK 18 78 - 23 - 5458/1.8=5, 5882/3.9=3...(9) HA ALA 77 + HB3 TYR 81 OK 15 65 - 23 - 5862/1.8=5, 6049=5...(5) HA LYS 73 + HB3 TYR 81 OK 12 69 - 17 - 4675/2.5=4, 5458/1.8=3...(8) HA LYS 85 - HB3 TYR 81 lone 3 76 - 4 - HB THR 37 - HB3 TYR 81 lone 2 89 - 2 - Peak 5460 from cnoeabs.peaks (2.98, 2.98, 38.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 81 + HB3 TYR 81 OK 100 100 - 100 Peak 5461 from cnoeabs.peaks (3.03, 3.03, 38.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 81 + HB2 TYR 81 OK 100 100 - 100 Peak 5462 from cnoeabs.peaks (7.08, 3.03, 38.06 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 81 + HB2 TYR 81 OK 100 100 - 100 - 2.5=100 QD PHE 48 - HB2 TYR 81 OK 28 97 - 29 - 5463/1.8=8, ~2148=4...(8) Peak 5463 from cnoeabs.peaks (7.08, 2.98, 38.06 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 81 + HB3 TYR 81 OK 100 100 - 100 - 2.5=100 QD PHE 48 - HB3 TYR 81 OK 30 97 - 31 - 5462/1.8=8, ~2148=5...(8) Peak 5464 from cnoeabs.peaks (8.05, 2.98, 38.06 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 81 + HB3 TYR 81 OK 100 100 - 100 - 3.9=100 H ARG 82 + HB3 TYR 81 OK 100 100 - 100 - 4.1=100 H GLN 91 - HB3 TYR 81 lone 2 89 - 2 - Peak 5465 from cnoeabs.peaks (8.05, 3.03, 38.06 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 81 + HB2 TYR 81 OK 100 100 - 100 - 3.9=100 H ARG 82 + HB2 TYR 81 OK 100 100 - 100 - 4.1=100 H GLN 91 - HB2 TYR 81 lone 2 89 - 2 - Peak 5466 from cnoeabs.peaks (7.07, 4.46, 58.30 ppm; 3.62 A): 1 out of 4 assignments used, quality = 0.94: QD TYR 81 + HA TYR 81 OK 94 100 - 94 - 3.7=91, 4.3/5474=15...(6) QD TYR 81 - HA SER 22 OK 26 95 - 27 - 4674=10, 2.5/5452=7...(5) QD PHE 48 - HA TYR 81 OK 21 99 - 21 - 5463/3.0=6, 5462/3.0=6...(5) QD PHE 48 - HA SER 22 lone 6 92 - 7 - 4547/3.0=2, ~4604=1 Peak 5467 from cnoeabs.peaks (8.05, 4.46, 58.30 ppm; 3.70 A): 2 out of 6 assignments used, quality = 1.00: * H TYR 81 + HA TYR 81 OK 100 100 - 100 - 3.0=100 H ARG 82 + HA TYR 81 OK 100 100 - 100 - 3.6=100 H TYR 81 - HA SER 22 OK 28 95 - 30 - 5450=7, 3.9/5452=5...(12) H ARG 82 - HA SER 22 OK 21 95 - 23 - 5474=6, 4.1/5452=5...(6) H GLN 91 - HA TYR 81 lone 2 89 - 2 - H GLN 91 - HA SER 22 lone 1 81 - 2 - Peak 5471 from cnoeabs.peaks (2.70, 2.70, 38.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 80 + HB2 ASN 80 OK 100 100 - 100 Peak 5479 from cnoeabs.peaks (1.53, 1.76, 30.45 ppm; 2.87 A): 1 out of 25 assignments used, quality = 0.96: HG2 ARG 82 + HB3 ARG 82 OK 96 100 - 96 - 2.9=95, 5885/3.0=8...(7) HB3 ARG 54 - HB2 LYS 32 OK 21 65 - 33 - 2317=5, 2317/1.8=3...(12) HB3 ARG 54 - HB3 LYS 32 OK 21 65 - 33 - 2317=5, 2317/1.8=3...(12) HG LEU 64 - HB3 ARG 82 OK 16 98 - 16 - 5480/1.8=4, 5484=2...(5) HG2 LYS 39 - HB2 PRO 34 OK 14 76 - 18 - 1864/1.8=2, ~1874=1...(5) HB3 ARG 54 - HB2 PRO 34 OK 14 76 - 18 - 2317=2, 2317/2.3=2, 3.0/2301=1 HB3 ARG 54 - HB3 ARG 82 OK 13 89 - 15 - 5480/1.8=2, 5478/4.0=2...(5) HG3 ARG 23 - HB3 ARG 82 OK 10 97 - 11 - 5480/1.8=3, 5885/3.0=1, 5484=1 HG2 LYS 39 - HB2 LYS 32 poor 9 65 - 13 - HG2 LYS 39 - HB3 LYS 32 poor 9 65 - 13 - HG LEU 64 - HB3 ARG 17 poor 7 67 - 10 - HG2 LYS 39 - HB3 ARG 82 lone 7 89 - 7 - 5480/1.8=1 HG2 ARG 82 - HB2 PRO 34 lone 6 90 - 6 - HG3 ARG 23 - HB3 ARG 17 lone 5 66 - 7 - HG2 ARG 82 - HB2 LYS 32 lone 4 80 - 5 - HG2 ARG 82 - HB3 LYS 32 lone 4 80 - 5 - HG LEU 64 - HB3 LYS 32 lone 3 76 - 5 - HG LEU 64 - HB2 LYS 32 lone 3 76 - 5 - HG LEU 64 - HB2 PRO 34 lone 2 87 - 2 - HG2 ARG 82 - HB3 ARG 17 lone 2 71 - 2 - HG3 ARG 23 - HB2 PRO 34 lone 1 86 - 2 - HG2 LYS 39 - HB3 ARG 17 lone 1 57 - 2 - HB3 ARG 54 - HB3 ARG 17 lone 1 57 - 2 - HG3 ARG 23 - HB3 LYS 32 lone 1 75 - 1 - HG3 ARG 23 - HB2 LYS 32 lone 1 75 - 1 - Peak 5480 from cnoeabs.peaks (1.53, 1.69, 30.45 ppm; 3.02 A): 1 out of 6 assignments used, quality = 0.99: HG2 ARG 82 + HB2 ARG 82 OK 99 99 - 100 - 2.9=100 HG LEU 64 - HB2 ARG 82 OK 19 99 - 19 - 5479/1.8=2, 5483=2...(7) HG3 ARG 23 - HB2 ARG 82 OK 13 99 - 13 - 5479/1.8=1, 2.9/5889=1...(5) HB3 ARG 54 - HB2 ARG 82 OK 12 93 - 13 - 5478/4.0=2, 1.8/3237=2...(4) HG2 LYS 39 - HB2 ARG 82 lone 7 93 - 7 - 5478/4.0=1 HB3 LEU 86 - HB2 ARG 82 lone 1 60 - 1 - Peak 5481 from cnoeabs.peaks (4.17, 1.53, 27.13 ppm; 3.94 A): 1 out of 24 assignments used, quality = 0.99: * HA ARG 82 + HG2 ARG 82 OK 99 99 - 100 - 3.8=100 HA LEU 29 - HG LEU 64 OK 37 91 - 41 - 1482/2.1=5, 4.9/5321=4...(20) HA ARG 82 - HG LEU 64 OK 19 91 - 21 - 3.0/5480=5, 5885=4...(8) HA ARG 82 - HG3 ARG 23 OK 14 80 - 18 - 3.0/5480=3, 5885=3...(8) HA LYS 73 - HG2 ARG 82 OK 12 99 - 12 - 3235/2.9=2, 359/5.0=2...(5) HA LEU 29 - HG2 ARG 82 OK 11 99 - 11 - 3235/2.9=2, 3242/2.9=1 HA ARG 84 - HG2 ARG 82 OK 11 90 - 12 - 3235/2.9=2, 5885=2...(4) HA ILE 89 - HG LEU 64 poor 10 94 - 10 - 3600/2.1=3, ~3607=1, 3.2/2638=1 HB THR 15 - HG LEU 64 lone 7 94 - 8 - 1133/4.3=1 HA ARG 84 - HG LEU 64 lone 7 81 - 8 - ~5015=1, ~5013=1, 5885=1 HA ALA 53 - HG LEU 64 lone 6 93 - 6 - 5702/4.8=2 HA GLN 79 - HG2 ARG 82 lone 6 60 - 9 - 6050/5.0=2, 3235/2.9=2...(4) HA LYS 73 - HG LEU 64 lone 5 91 - 6 - HA LEU 29 - HG3 ARG 23 lone 5 80 - 6 - HA ALA 53 - HG2 ARG 82 lone 4 100 - 4 - HA ILE 89 - HG3 ARG 23 lone 4 83 - 5 - HA ILE 89 - HG2 ARG 82 lone 4 100 - 4 - HA ARG 84 - HG3 ARG 23 lone 4 70 - 5 - HA GLN 79 - HG LEU 64 lone 4 52 - 7 - HB THR 15 - HG2 ARG 82 lone 3 100 - 3 - HA LYS 73 - HG3 ARG 23 lone 3 80 - 4 - HB THR 15 - HG3 ARG 23 lone 2 83 - 3 - 5332/4.9=1 HA ALA 53 - HG3 ARG 23 lone 2 82 - 2 - HA GLN 79 - HG3 ARG 23 lone 1 43 - 2 - Peak 5482 from cnoeabs.peaks (1.53, 1.53, 27.13 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 82 + HG2 ARG 82 OK 100 100 - 100 HG LEU 64 + HG LEU 64 OK 90 90 - 100 HG3 ARG 23 + HG3 ARG 23 OK 78 78 - 100 Peak 5483 from cnoeabs.peaks (1.69, 1.53, 27.13 ppm; 2.50 A): 3 out of 36 assignments used, quality = 0.95: HB2 ARG 82 + HG2 ARG 82 OK 72 100 - 72 - 2.9=63, 1.8/5479=9...(7) HB3 LEU 64 + HG LEU 64 OK 62 94 - 66 - 3.0=59, 3.0/2616=4...(6) HG2 ARG 23 + HG3 ARG 23 OK 54 54 - 100 - 1.8=100 HB3 LEU 64 - HG3 ARG 23 OK 17 83 - 21 - 2630=3, 3.1/2651=3...(6) HG2 ARG 23 - HG LEU 64 OK 16 64 - 25 - 1289=5, ~2651=2, ~2644=2...(9) HG LEU 29 - HG LEU 64 OK 15 73 - 21 - 1503/2.1=2, 1499/3.0=2...(9) HB2 LEU 29 - HG LEU 64 OK 15 69 - 21 - 1489/2.1=2, 2650/2.1=2...(5) HG3 ARG 66 - HG LEU 64 OK 13 94 - 14 - 2650/2.1=2, 2643/2.1=2...(4) HB2 ARG 82 - HG LEU 64 OK 13 94 - 14 - 5480=4, 1.8/5479=2...(6) HB3 LEU 64 - HG2 ARG 82 OK 11 100 - 11 - 2630=1, 1.8/2623=1...(4) HB2 ARG 82 - HG3 ARG 23 lone 8 83 - 10 - 5480=2 HG2 ARG 70 - HG LEU 64 lone 7 84 - 9 - 2650/2.1=1 HG2 ARG 23 - HG2 ARG 82 lone 5 73 - 7 - 1289=1 HG3 ARG 66 - HG3 ARG 23 lone 4 83 - 5 - HB2 LEU 29 - HG2 ARG 82 lone 4 78 - 5 - HB3 LYS 83 - HG2 ARG 82 lone 4 76 - 5 - 833/5.0=2 HG LEU 29 - HG2 ARG 82 lone 3 83 - 4 - HB3 LYS 13 - HG LEU 64 lone 3 85 - 4 - HB3 LYS 83 - HG LEU 64 lone 2 66 - 2 - HB2 LEU 29 - HG3 ARG 23 lone 1 59 - 2 - HB3 LYS 13 - HG2 ARG 82 lone 1 94 - 1 - HG LEU 29 - HG3 ARG 23 lone 1 63 - 2 - HB3 LYS 85 - HG2 ARG 82 lone 1 63 - 2 - HG3 ARG 66 - HG2 ARG 82 lone 1 100 - 1 - HG2 ARG 70 - HG2 ARG 82 lone 1 93 - 1 - HB3 LYS 13 - HG3 ARG 23 lone 1 74 - 1 - HD3 LYS 13 - HG LEU 64 lone 1 52 - 2 - HD2 LYS 13 - HG LEU 64 lone 1 52 - 2 - HB3 LYS 85 - HG LEU 64 lone 1 54 - 1 - HG2 ARG 70 - HG3 ARG 23 lone 1 73 - 1 - HD2 LYS 13 - HG3 ARG 23 lone 1 43 - 1 - HD3 LYS 13 - HG3 ARG 23 lone 1 43 - 1 - HD3 LYS 13 - HG2 ARG 82 lone 0 60 - 1 - HD2 LYS 13 - HG2 ARG 82 lone 0 60 - 1 - HB3 LYS 83 - HG3 ARG 23 lone 0 56 - 1 - HB3 LYS 85 - HG3 ARG 23 lone 0 46 - 1 - Peak 5484 from cnoeabs.peaks (1.77, 1.53, 27.13 ppm; 3.25 A): 1 out of 51 assignments used, quality = 1.00: HB3 ARG 82 + HG2 ARG 82 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 - HG LEU 64 OK 32 82 - 39 - 2.9/1876=3, 3.0/1836=3...(19) HB ILE 33 - HG LEU 64 OK 26 94 - 28 - 5560/2.1=4, ~5026=3...(13) HB3 ARG 82 - HG LEU 64 OK 21 94 - 22 - 1.8/5480=5, 5479=3...(7) HB2 LEU 57 - HG LEU 64 OK 20 94 - 22 - ~5025=3, ~5026=3...(10) HB3 ARG 82 - HG3 ARG 23 OK 13 83 - 15 - 1.8/5480=3, 5479=2...(6) HB2 ARG 54 - HG2 ARG 82 OK 12 100 - 12 - 3237/2.9=2, 5476/5.0=1...(5) HB2 LEU 62 - HG LEU 64 OK 11 71 - 16 - 2576/2.1=2 HB3 LYS 39 - HG3 ARG 23 poor 9 71 - 13 - 2.9/1876=1, 3.0/1836=1 HB2 LYS 83 - HG2 ARG 82 lone 9 93 - 10 - 361/5.0=4, 3237/2.9=1 HB3 ARG 17 - HG LEU 64 poor 9 64 - 14 - 5479=1, 4.0/3917=1, ~5022=1 HB3 LYS 73 - HG2 ARG 82 lone 8 97 - 8 - 3237/2.9=1 HB2 PRO 34 - HG2 ARG 82 lone 8 96 - 8 - 5479=1 HG3 ARG 71 - HG3 ARG 23 poor 8 70 - 11 - HG2 PRO 34 - HG2 ARG 82 lone 7 99 - 7 - HB2 ARG 54 - HG LEU 64 lone 7 94 - 8 - HB3 LYS 39 - HG2 ARG 82 lone 7 92 - 7 - HB3 LYS 32 - HG2 ARG 82 lone 6 99 - 6 - HB2 LYS 32 - HG2 ARG 82 lone 6 99 - 6 - HB2 LYS 32 - HG LEU 64 lone 6 92 - 6 - HB3 LYS 32 - HG LEU 64 lone 6 92 - 6 - HB3 LYS 75 - HG LEU 64 lone 6 73 - 8 - HB3 ARG 17 - HG3 ARG 23 lone 5 54 - 9 - HB2 LYS 13 - HG LEU 64 lone 4 69 - 6 - HG3 ARG 71 - HG LEU 64 lone 4 81 - 5 - HG3 ARG 26 - HG3 ARG 23 lone 4 64 - 5 - HG3 ARG 26 - HG LEU 64 lone 4 75 - 5 - HB2 LYS 83 - HG LEU 64 lone 3 84 - 4 - HG3 ARG 71 - HG2 ARG 82 lone 3 90 - 4 - HB3 LYS 75 - HG3 ARG 23 lone 3 63 - 5 - HB3 LYS 73 - HG LEU 64 lone 3 89 - 3 - HB2 ARG 54 - HG3 ARG 23 lone 3 83 - 3 - HB3 LYS 75 - HG2 ARG 82 lone 2 83 - 3 - HG2 PRO 34 - HG LEU 64 lone 2 91 - 3 - HB ILE 33 - HG2 ARG 82 lone 2 100 - 2 - HB2 LYS 13 - HG2 ARG 82 lone 2 78 - 3 - HB3 ARG 17 - HG2 ARG 82 lone 2 73 - 3 - HB2 PRO 34 - HG LEU 64 lone 2 87 - 2 - HG2 PRO 34 - HG3 ARG 23 lone 2 80 - 2 - HB2 LEU 57 - HG2 ARG 82 lone 2 100 - 2 - HB3 LYS 73 - HG3 ARG 23 lone 2 78 - 2 - HB2 PRO 34 - HG3 ARG 23 lone 2 76 - 2 - HB2 LEU 57 - HG3 ARG 23 lone 2 83 - 2 - HB2 LEU 62 - HG2 ARG 82 lone 2 81 - 2 - HB2 LEU 62 - HG3 ARG 23 lone 2 61 - 3 - HG3 ARG 26 - HG2 ARG 82 lone 1 85 - 2 - HB2 LYS 13 - HG3 ARG 23 lone 1 59 - 2 - HB3 LYS 32 - HG3 ARG 23 lone 1 81 - 2 - HB2 LYS 32 - HG3 ARG 23 lone 1 81 - 2 - HB ILE 33 - HG3 ARG 23 lone 1 83 - 1 - HB2 LYS 83 - HG3 ARG 23 lone 1 73 - 1 - Peak 5485 from cnoeabs.peaks (8.18, 4.26, 56.28 ppm; 4.38 A): 4 out of 28 assignments used, quality = 0.83: H ARG 84 + HA LYS 83 OK 75 75 - 100 - 3.6=100 H ARG 27 + HA ARG 17 OK 15 80 - 19 - 65/3.0=3, 537/4.0=2...(6) H ARG 84 + HA LYS 85 OK 13 41 - 33 - ~377=10, 367=4...(12) H GLU 25 + HA GLU 19 OK 11 83 - 13 - 50/3.0=3, 523/3.9=2...(4) H ILE 89 - HA ARG 17 poor 8 77 - 11 - 408=2, 877/3.0=2, 3.9/3594=1 H THR 15 - HA LYS 83 poor 7 64 - 11 - 477=2, 3.9/1137=2...(4) H ILE 89 - HA LYS 85 poor 7 51 - 13 - 877/3.0=3, 5269/3.8=2...(5) H ILE 89 - HA GLU 19 lone 6 99 - 7 - 4.6/872=2, 3.9/3594=1 H ARG 84 - HA ARG 17 lone 6 64 - 10 - 5890/3.0=1, 4.0/1163=1 H ASN 74 - HA LYS 83 poor 6 50 - 12 - ~6056=4, ~6055=2, 4.6/802=1 H ARG 27 - HA GLU 19 lone 5 100 - 5 - H ILE 89 - HA LYS 83 lone 5 89 - 6 - 876/4.7=3 H ARG 84 - HA GLU 19 lone 5 87 - 5 - 4.6/831=1 H THR 15 - HA GLU 19 lone 4 76 - 6 - 477=1 H GLU 25 - HA ARG 17 lone 3 60 - 5 - 5511/5.0=2 H GLU 25 - HA LYS 83 lone 3 71 - 4 - 50/2.9=1 H ASN 74 - HA LYS 85 poor 3 26 - 12 - ~6055=2, 4.6/802=2...(5) H ARG 27 - HA LYS 85 lone 3 53 - 5 - 5380/2.9=1 H ARG 27 - HA LYS 83 lone 3 91 - 3 - H THR 15 - HA LYS 85 lone 2 34 - 5 - 477=1 H THR 15 - HA ARG 17 lone 2 54 - 3 - 4.6/1146=1 H GLU 25 - HA LYS 85 lone 1 38 - 3 - H ASN 74 - HA GLU 19 lone 1 60 - 2 - H LEU 57 - HA GLU 19 lone 1 57 - 2 - H ASN 74 - HA ARG 17 lone 1 41 - 2 - H LEU 57 - HA LYS 83 lone 1 47 - 2 - H LEU 57 - HA ARG 17 lone 1 39 - 2 - H LEU 57 - HA LYS 85 lone 0 24 - 2 - Peak 5486 from cnoeabs.peaks (1.36, 4.28, 56.26 ppm; 4.78 A): 2 out of 22 assignments used, quality = 0.97: QB ALA 16 + HA ARG 17 OK 93 100 - 93 - 5.0=89, ~22=24...(4) QB ALA 20 + HA GLU 19 OK 64 64 - 100 - 4.5=100 QB ALA 20 - HA ARG 17 OK 12 87 - 14 - 23/3.0=3, ~3725=2...(6) HG3 LYS 73 - HA ARG 17 poor 7 63 - 11 - 23/3.0=1 HG3 ARG 69 - HA GLU 19 lone 5 65 - 8 - 499/3.6=2 QB ALA 16 - HA GLU 19 lone 5 80 - 6 - 3.6/484=2, 499/3.6=1 QB ALA 28 - HA ARG 17 lone 5 81 - 6 - 23/3.0=1 HG2 LYS 85 - HA ARG 17 lone 5 87 - 6 - 4.7/859=1 HG2 LYS 83 - HA GLU 19 lone 4 76 - 6 - QB ALA 77 - HA GLU 19 lone 4 67 - 7 - 1239/3.6=2 QB ALA 28 - HA GLU 19 lone 4 58 - 7 - HG2 LYS 83 - HA ARG 17 lone 3 98 - 3 - QB ALA 77 - HA ARG 17 lone 3 90 - 4 - 23/3.0=1 QB ALA 12 - HA ARG 17 lone 3 65 - 4 - HB2 LEU 52 - HA ARG 17 lone 2 73 - 3 - HG2 LYS 85 - HA GLU 19 lone 2 64 - 4 - HG3 ARG 69 - HA ARG 17 lone 2 89 - 2 - QB ALA 12 - HA GLU 19 lone 2 46 - 5 - QB ALA 78 - HA GLU 19 lone 2 44 - 4 - 1239/3.6=1 QB ALA 78 - HA ARG 17 lone 1 63 - 2 - HG3 LYS 73 - HA GLU 19 lone 1 44 - 3 - HB2 LEU 52 - HA GLU 19 lone 1 52 - 2 - Peak 5488 from cnoeabs.peaks (8.09, 1.71, 27.11 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.96: H ARG 71 + HG2 ARG 70 OK 96 96 - 100 - 5.0=100 H LYS 85 - HG2 ARG 70 OK 22 97 - 22 - 5390/4.9=5, 5391/4.0=3...(7) H LYS 75 - HG2 ARG 70 OK 21 100 - 21 - 5390/4.9=7, 5391/4.0=4...(7) Peak 5489 from cnoeabs.peaks (8.11, 1.61, 27.11 ppm; 4.46 A): 3 out of 45 assignments used, quality = 0.95: H ARG 71 + HG3 ARG 70 OK 90 100 - 90 - 5.0=71, 307/1.8=16...(15) H ARG 71 + HG2 ARG 26 OK 30 58 - 52 - 779/1.8=9, 775/3.7=7...(19) H ARG 26 + HG2 ARG 26 OK 30 34 - 88 - 4.9=74, 1390/1.8=13...(20) H LYS 85 - HG3 ARG 84 OK 30 73 - 41 - 377/3.9=17, 378/3.0=9...(10) H LYS 85 - HG2 ARG 84 OK 30 73 - 41 - 377/3.9=17, 378/3.0=9...(10) H ARG 71 - HG2 ARG 17 OK 29 99 - 29 - 779/2.9=3, 778=3...(11) H ARG 71 - HG3 ARG 17 OK 29 99 - 29 - 779/2.9=3, 778=3...(11) H ARG 26 - HG2 ARG 27 OK 21 44 - 48 - 5380/5.0=13, 5345/3.8=10...(12) H ARG 71 - HG2 ARG 27 OK 21 73 - 29 - 5380/5.0=3, 778=2...(8) H ARG 26 - HG3 ARG 27 OK 20 43 - 48 - 5380/5.0=13, 5345/3.8=10...(12) H ARG 71 - HG3 ARG 27 OK 20 71 - 28 - 5380/5.0=3, 778=2...(8) H LYS 85 - HG3 ARG 70 OK 20 100 - 20 - 5488/1.8=5, 5390/4.9=4...(5) H LYS 75 - HG3 ARG 70 OK 18 92 - 20 - 5390/4.9=6, 5488/1.8=4...(5) H ARG 71 - HG LEU 86 OK 15 89 - 16 - 5835/2.1=2, 308=1...(5) H ARG 71 - HG3 ARG 84 OK 13 73 - 18 - 307/3.0=2, 308=1...(5) H ARG 71 - HG2 ARG 84 OK 13 73 - 18 - 307/3.0=2, 308=1...(5) H ARG 26 - HG2 ARG 17 OK 12 69 - 17 - 4.9/1394=2, 4.6/64=2...(5) H ARG 26 - HG3 ARG 17 OK 12 68 - 17 - 4.9/1394=2, 4.6/64=2...(5) H ARG 26 - HG3 ARG 70 OK 10 71 - 14 - 5391/4.0=2, ~5395=1...(4) H LYS 85 - HG LEU 86 lone 9 89 - 10 - 4.7/860=6 H LYS 85 - HG2 ARG 17 lone 7 99 - 7 - 4.7/860=2 H LYS 85 - HG3 ARG 17 lone 7 99 - 7 - 4.7/860=2 H THR 88 - HG LEU 86 poor 7 57 - 12 - 4.6/396=4, 402/4.3=2...(4) H ARG 26 - HG LEU 86 poor 6 57 - 11 - 5516/2.1=2 H THR 88 - HG2 ARG 27 poor 5 44 - 11 - 873/3.8=4, 5380/5.0=3 H THR 88 - HG3 ARG 27 poor 5 43 - 11 - 873/3.8=4, 5380/5.0=3 H THR 88 - HG2 ARG 17 lone 5 69 - 7 - H THR 88 - HG3 ARG 17 lone 5 68 - 7 - H ARG 26 - HG3 ARG 84 lone 4 44 - 8 - H ARG 26 - HG2 ARG 84 lone 4 44 - 8 - H LYS 75 - HG2 ARG 84 lone 3 62 - 5 - 4008/3.9=1 H LYS 75 - HG3 ARG 84 lone 3 62 - 5 - 4008/3.9=1 H THR 88 - HG3 ARG 70 lone 3 71 - 4 - H LYS 75 - HG2 ARG 17 lone 3 90 - 3 - H LYS 75 - HG3 ARG 17 lone 3 89 - 3 - H LYS 85 - HG2 ARG 27 lone 3 73 - 4 - H LYS 85 - HG3 ARG 27 lone 3 71 - 4 - H LYS 85 - HG2 ARG 26 lone 3 58 - 4 - H LYS 75 - HG2 ARG 27 lone 2 62 - 4 - H LYS 75 - HG3 ARG 27 lone 2 60 - 4 - H THR 88 - HG2 ARG 26 lone 2 34 - 6 - 1390/1.8=1 H LYS 75 - HG LEU 86 lone 2 77 - 2 - H LYS 75 - HG2 ARG 26 lone 2 48 - 3 - H THR 88 - HG3 ARG 84 lone 1 44 - 3 - H THR 88 - HG2 ARG 84 lone 1 44 - 3 - Peak 5490 from cnoeabs.peaks (7.95, 3.21, 43.49 ppm; 5.13 A): 6 out of 40 assignments used, quality = 1.00: H ARG 70 + HD2 ARG 70 OK 91 100 - 91 - 6.3=54, 2864/3.0=17...(19) H ARG 70 + HD3 ARG 70 OK 91 100 - 91 - 6.3=54, 2864/3.0=17...(19) H ARG 70 + HD2 ARG 66 OK 62 89 - 71 - 770/3.0=9, 5828=8...(30) H ARG 70 + HD3 ARG 66 OK 59 85 - 70 - 770/3.0=9, 769/3.4=7...(30) H ASP 67 + HD2 ARG 70 OK 47 76 - 62 - ~5052=12, 2864/3.0=9...(18) H ASP 67 + HD3 ARG 70 OK 47 76 - 62 - ~5052=12, 2864/3.0=9...(18) H ASP 67 - HD2 ARG 66 OK 39 61 - 65 - 276/6.2=18, 278/3.4=10...(15) H ASP 67 - HD3 ARG 66 OK 37 58 - 65 - 276/6.2=18, 278/3.4=10...(15) H ALA 63 - HD2 ARG 66 OK 34 59 - 57 - ~5370=9, ~4686=8...(18) H ALA 63 - HD3 ARG 66 OK 32 56 - 57 - ~5370=9, ~4686=8...(18) H LYS 32 - HD2 ARG 70 OK 27 95 - 29 - 2864/3.0=5, 91/3.5=3...(8) H LYS 32 - HD3 ARG 70 OK 27 94 - 29 - 2864/3.0=5, 91/3.5=3...(8) H LYS 32 - HD2 ARG 66 OK 21 80 - 26 - 91/3.4=5, 5802/3.0=3...(8) H ALA 63 - HD2 ARG 70 OK 20 73 - 27 - 2864/3.0=3, 4685/3.5=3...(11) H ALA 63 - HD3 ARG 70 OK 20 73 - 27 - 2864/3.0=3, 4685/3.5=3...(11) H LYS 32 - HD3 ARG 66 OK 20 76 - 26 - 91/3.4=5, 5802/3.0=3...(8) H ARG 70 - HD3 ARG 71 OK 19 58 - 33 - 5390/5.8=15, 5828=5...(7) H LEU 29 - HD3 ARG 70 OK 17 100 - 17 - 2864/3.0=4, 2840/5.3=2...(6) H LEU 29 - HD2 ARG 70 OK 17 100 - 17 - 2864/3.0=4, 2840/5.3=2...(6) H VAL 76 - HD3 ARG 70 OK 17 99 - 17 - 2864/3.0=3, 2840/5.3=3...(7) H VAL 76 - HD2 ARG 70 OK 17 99 - 17 - 2864/3.0=3, 2840/5.3=3...(7) H VAL 76 - HD2 ARG 66 OK 14 87 - 16 - 812/5.2=2, ~2707=1...(5) H LEU 29 - HD2 ARG 66 OK 14 88 - 15 - 548/3.0=3, 77/5.2=2...(5) H VAL 76 - HD3 ARG 66 OK 13 83 - 16 - 812/5.2=2, ~2707=1...(5) H LEU 29 - HD3 ARG 66 OK 13 85 - 15 - 548/3.0=3, 77/5.2=2...(5) H LEU 29 - HD3 ARG 71 poor 9 58 - 16 - 4184/4.7=7, 303/5.8=3 H ARG 69 - HD2 ARG 66 poor 9 47 - 19 - 4.6/5828=4, 5378/5.2=4...(7) H ASP 67 - HD3 ARG 71 poor 8 37 - 23 - 5808/4.7=6, 303/5.8=4...(9) H ARG 69 - HD3 ARG 66 poor 8 44 - 19 - 4.6/5828=4, 5378/5.2=4...(7) H ARG 69 - HD2 ARG 70 poor 8 60 - 13 - 4.6/5828=8, 5379/5.3=2 H ARG 69 - HD3 ARG 70 poor 8 60 - 13 - 4.6/5828=8, 5379/5.3=2 H LYS 32 - HD3 ARG 71 poor 7 51 - 13 - 303/5.8=3, 5542/3.0=1 H VAL 76 - HD3 ARG 71 poor 7 57 - 12 - 303/5.8=3, 340/3.5=2, 340/3.5=2 H ALA 63 - HD3 ARG 71 poor 6 36 - 17 - 256/3.0=3, 725/4.7=3...(7) H ALA 30 - HD2 ARG 66 poor 6 47 - 12 - 4194/3.4=3, 4841/5.2=2...(5) H ALA 30 - HD3 ARG 66 poor 5 44 - 12 - 4194/3.4=3, 4841/5.2=2...(5) H ALA 30 - HD2 ARG 70 lone 4 60 - 7 - 79/6.3=2, 81/3.0=1 H ALA 30 - HD3 ARG 70 lone 4 60 - 7 - 79/6.3=2, 81/3.0=1 H ARG 69 - HD3 ARG 71 poor 4 28 - 13 - 5825/5.8=7, 4.6/5828=2 H ALA 30 - HD3 ARG 71 lone 3 28 - 10 - 5387/4.7=4, ~4843=2 Peak 5494 from cnoeabs.peaks (3.93, 4.26, 52.94 ppm; 4.49 A): 5 out of 20 assignments used, quality = 0.53: HA3 GLY 18 + HA ALA 20 OK 16 99 - 17 - 3.6/492=5, 3.0/3725=4...(6) HA2 GLY 18 + HA ALA 20 OK 16 99 - 17 - 3.6/492=5, 3.0/3725=4...(5) HA3 GLY 21 + HA ALA 20 OK 14 90 - 15 - 6114/2.1=5, ~6114=5...(4) HA2 GLY 21 + HA ALA 20 OK 13 89 - 15 - 6114/2.1=5, ~6114=5...(4) HA LEU 62 + HA ALA 20 OK 10 97 - 11 - 4674/3.6=4, 3.6/4690=2 HA3 GLY 21 - HA ALA 77 poor 8 39 - 21 - ~34=2, 4800=2...(12) HA2 GLY 21 - HA ALA 77 poor 8 38 - 21 - ~34=2, 4800=2...(12) HA THR 37 - HA ALA 20 lone 4 100 - 4 - HA GLN 61 - HA ALA 20 lone 3 57 - 6 - 5758/3.6=2 HA GLU 50 - HA ALA 20 lone 3 60 - 6 - HA ALA 28 - HA ALA 20 lone 3 76 - 4 - HA THR 37 - HA ALA 77 lone 2 49 - 5 - HA ALA 28 - HA ALA 77 lone 2 31 - 7 - 1470/3.0=2, ~1473=1 HA3 GLY 18 - HA ALA 77 lone 2 48 - 4 - HA2 GLY 18 - HA ALA 77 lone 2 47 - 4 - HA2 GLY 72 - HA ALA 20 lone 2 63 - 3 - HA GLU 50 - HA ALA 77 lone 1 23 - 5 - HA2 GLY 72 - HA ALA 77 lone 1 24 - 4 - HA LEU 62 - HA ALA 77 lone 1 44 - 2 - HA GLN 61 - HA ALA 77 lone 1 22 - 2 - Peak 5495 from cnoeabs.peaks (1.62, 3.95, 45.26 ppm; 5.47 A): 0 out of 64 assignments used, low quality = 0.40: HG3 ARG 17 - HA3 GLY 21 OK 12 100 - 12 - 3.0/5286=1, 3.0/5286=1 HG2 ARG 17 - HA3 GLY 21 OK 12 100 - 12 - 3.0/5286=1, 3.0/5286=1 HG3 ARG 17 - HA2 GLY 21 OK 12 100 - 12 - 3.0/5286=1, 3.0/5286=1 HG2 ARG 17 - HA2 GLY 21 OK 12 100 - 12 - 3.0/5286=1, 3.0/5286=1 HG2 ARG 71 - HA3 GLY 18 poor 10 67 - 15 - ~4827=3, ~4826=2...(4) HG2 ARG 26 - HA3 GLY 21 lone 10 100 - 10 - 3.0/5286=1, 3.0/5286=1 HG2 ARG 26 - HA2 GLY 21 lone 10 100 - 10 - 3.0/5286=1, 3.0/5286=1 HG2 ARG 71 - HA2 GLY 18 poor 9 64 - 15 - ~4827=3, ~4826=2, 4828/3.0=2 HG2 ARG 71 - HA2 GLY 21 lone 9 100 - 9 - HG2 ARG 71 - HA3 GLY 21 lone 9 100 - 9 - HD3 LYS 32 - HA3 GLY 21 lone 9 97 - 9 - HD3 LYS 32 - HA2 GLY 21 lone 8 97 - 9 - HD2 LYS 32 - HA3 GLY 21 lone 8 96 - 9 - HD2 LYS 32 - HA2 GLY 21 lone 8 96 - 9 - HG2 ARG 27 - HA3 GLY 21 lone 8 98 - 8 - HG2 ARG 27 - HA2 GLY 21 lone 8 98 - 8 - HG3 ARG 27 - HA3 GLY 21 lone 8 97 - 8 - HG3 ARG 27 - HA2 GLY 21 lone 8 97 - 8 - HG2 ARG 26 - HA3 GLY 18 lone 6 67 - 9 - ~4827=2, 4828/3.0=1 HG2 ARG 27 - HA3 GLY 18 lone 6 63 - 9 - 4828/3.0=2, ~4826=1, ~4828=1 HG3 ARG 27 - HA3 GLY 18 lone 6 62 - 9 - 4828/3.0=2, ~4826=1, ~4828=1 HG2 ARG 26 - HA2 GLY 18 lone 6 65 - 9 - ~4827=2, 4828/3.0=1 HD3 LYS 73 - HA2 GLY 21 lone 5 96 - 6 - HD2 LYS 73 - HA2 GLY 21 lone 5 96 - 6 - HD2 LYS 73 - HA3 GLY 21 lone 5 96 - 6 - HD3 LYS 73 - HA3 GLY 21 lone 5 96 - 6 - HG2 ARG 27 - HA2 GLY 18 lone 6 61 - 9 - 4828/3.0=2, ~4826=1, ~4828=1 HG3 ARG 27 - HA2 GLY 18 lone 5 60 - 9 - 4828/3.0=2, ~4826=1, ~4828=1 HB2 LEU 86 - HA3 GLY 18 lone 4 64 - 7 - ~4024=2, 4828/3.0=1 HB2 LEU 86 - HA2 GLY 18 lone 4 62 - 7 - ~4024=2, 4828/3.0=1 HG3 ARG 70 - HA2 GLY 21 lone 3 97 - 3 - HG3 ARG 70 - HA3 GLY 21 lone 3 97 - 3 - HB3 LEU 51 - HA2 GLY 21 lone 3 76 - 4 - HB3 LEU 51 - HA3 GLY 21 lone 3 76 - 4 - HB2 LEU 86 - HA2 GLY 21 lone 3 99 - 3 - HB2 LEU 86 - HA3 GLY 21 lone 3 99 - 3 - HD3 LYS 32 - HA3 GLY 18 lone 3 62 - 4 - HG3 ARG 17 - HA3 GLY 18 lone 2 67 - 4 - HG3 ARG 84 - HA2 GLY 21 lone 2 60 - 4 - HG2 ARG 84 - HA2 GLY 21 lone 2 60 - 4 - HG3 ARG 84 - HA3 GLY 21 lone 2 60 - 4 - HG2 ARG 84 - HA3 GLY 21 lone 2 60 - 4 - HD2 LYS 32 - HA3 GLY 18 lone 2 60 - 4 - HG2 ARG 17 - HA3 GLY 18 lone 2 66 - 4 - HD3 LYS 32 - HA2 GLY 18 lone 2 60 - 4 - HD2 LYS 32 - HA2 GLY 18 lone 2 58 - 4 - HG3 ARG 17 - HA2 GLY 18 lone 2 64 - 4 - HG2 ARG 17 - HA2 GLY 18 lone 2 64 - 4 - HD3 LYS 73 - HA3 GLY 18 lone 2 60 - 4 - HD2 LYS 73 - HA3 GLY 18 lone 2 60 - 4 - HD2 LYS 73 - HA2 GLY 18 lone 2 58 - 4 - HD3 LYS 73 - HA2 GLY 18 lone 2 58 - 4 - HG LEU 86 - HA2 GLY 21 lone 2 73 - 3 - HG LEU 86 - HA3 GLY 21 lone 2 73 - 3 - HG LEU 86 - HA3 GLY 18 lone 2 42 - 4 - HG LEU 86 - HA2 GLY 18 lone 2 40 - 4 - HG3 ARG 70 - HA3 GLY 18 lone 2 62 - 3 - HG3 ARG 70 - HA2 GLY 18 lone 2 60 - 3 - HG2 ARG 84 - HA3 GLY 18 lone 1 33 - 4 - HG3 ARG 84 - HA3 GLY 18 lone 1 33 - 4 - HB3 LEU 51 - HA3 GLY 18 lone 1 44 - 3 - HG2 ARG 84 - HA2 GLY 18 lone 1 32 - 4 - HG3 ARG 84 - HA2 GLY 18 lone 1 32 - 4 - HB3 LEU 51 - HA2 GLY 18 lone 1 42 - 3 - Peak 5496 from cnoeabs.peaks (1.86, 3.95, 45.26 ppm; 5.14 A): 0 out of 60 assignments used, low quality = 0.39: HB2 LYS 39 - HA3 GLY 21 OK 12 99 - 13 - 4.4/4308=2, 3.0/4800=1 HB2 LYS 39 - HA2 GLY 21 OK 12 99 - 12 - 4.4/4308=2, 3.0/4800=1 HB2 LYS 75 - HA2 GLY 21 OK 11 83 - 13 - 4.0/5851=1, 3.0/4800=1 HB2 LYS 75 - HA3 GLY 21 OK 11 83 - 13 - 4.0/5851=1, 3.0/4800=1 HB2 ARG 17 - HA3 GLY 21 poor 10 76 - 13 - 2.9/5495=1, 2.9/5495=1 HB2 ARG 17 - HA2 GLY 21 poor 10 76 - 13 - 2.9/5495=1, 2.9/5495=1 HB2 ARG 66 - HA2 GLY 21 lone 9 95 - 10 - HB2 ARG 66 - HA3 GLY 21 lone 9 94 - 10 - HB3 ARG 71 - HA3 GLY 18 poor 9 63 - 14 - 4826/3.0=3, ~4826=3...(4) HB2 ARG 71 - HA3 GLY 18 poor 9 62 - 14 - 4826/3.0=3, ~4826=3...(4) HB3 ARG 71 - HA2 GLY 18 poor 9 61 - 14 - 4826/3.0=3, ~4826=3...(4) HB2 ARG 71 - HA2 GLY 18 poor 8 60 - 14 - 4826/3.0=3, ~4826=3...(4) HB3 ARG 27 - HA2 GLY 21 lone 8 98 - 8 - 4.3/3727=1 HB3 ARG 27 - HA3 GLY 21 lone 8 98 - 8 - 4.3/3727=1 HB2 ARG 27 - HA2 GLY 21 lone 8 97 - 8 - 4.3/3727=1 HB2 ARG 27 - HA3 GLY 21 lone 8 97 - 8 - 4.3/3727=1 HB3 ARG 71 - HA2 GLY 21 lone 8 98 - 8 - HB3 ARG 71 - HA3 GLY 21 lone 8 98 - 8 - HB2 ARG 71 - HA2 GLY 21 lone 8 97 - 8 - HB2 ARG 71 - HA3 GLY 21 lone 8 97 - 8 - HB2 ARG 26 - HA2 GLY 21 lone 7 89 - 8 - HB2 ARG 26 - HA3 GLY 21 lone 7 89 - 8 - HB3 ARG 26 - HA2 GLY 21 lone 7 87 - 8 - HB3 ARG 26 - HA3 GLY 21 lone 7 87 - 8 - HB3 PRO 14 - HA2 GLY 21 lone 6 73 - 8 - 1.8/5284=3, ~5284=2 HB3 PRO 14 - HA3 GLY 21 lone 6 73 - 8 - 1.8/5284=3, ~5284=2 HB2 LYS 39 - HA3 GLY 18 lone 6 64 - 9 - 4.4/4308=2, 4.0/5605=1 HB3 ARG 27 - HA3 GLY 18 lone 5 63 - 9 - 4826/3.0=2, ~4826=2 HB2 LYS 39 - HA2 GLY 18 lone 5 62 - 9 - 4.4/4308=2, 4.0/5605=1 HB2 ARG 27 - HA3 GLY 18 lone 5 62 - 9 - 4826/3.0=2, ~4826=1 HB3 ARG 27 - HA2 GLY 18 lone 5 61 - 9 - 4826/3.0=2, ~4826=2 HB2 ARG 27 - HA2 GLY 18 lone 5 60 - 9 - 4826/3.0=2, ~4826=1 HB3 ARG 23 - HA3 GLY 21 lone 5 92 - 5 - HB3 ARG 23 - HA2 GLY 21 lone 5 92 - 5 - HB2 ARG 23 - HA3 GLY 21 lone 5 90 - 5 - HB2 ARG 23 - HA2 GLY 21 lone 5 90 - 5 - HB3 PRO 34 - HA3 GLY 21 lone 4 97 - 4 - HB3 PRO 34 - HA2 GLY 21 lone 4 97 - 4 - HB2 ARG 26 - HA3 GLY 18 lone 4 54 - 7 - ~4827=1 HB3 ARG 26 - HA3 GLY 18 lone 4 52 - 7 - ~4827=1 HB2 ARG 26 - HA2 GLY 18 lone 4 51 - 7 - ~4827=1 HB3 ARG 26 - HA2 GLY 18 lone 3 50 - 7 - ~4827=1 HB3 ARG 23 - HA3 GLY 18 lone 3 56 - 5 - HB2 ARG 23 - HA3 GLY 18 lone 3 55 - 5 - HB3 ARG 23 - HA2 GLY 18 lone 3 54 - 5 - HB2 ARG 23 - HA2 GLY 18 lone 3 53 - 5 - HB2 MET 11 - HA3 GLY 21 lone 3 78 - 4 - HB2 MET 11 - HA2 GLY 21 lone 3 78 - 3 - HB3 PRO 34 - HA3 GLY 18 lone 3 61 - 4 - HB3 PRO 34 - HA2 GLY 18 lone 2 59 - 4 - HB2 LYS 75 - HA3 GLY 18 lone 2 49 - 4 - HB2 LYS 75 - HA2 GLY 18 lone 2 47 - 4 - HB2 ARG 17 - HA3 GLY 18 lone 2 44 - 3 - HB2 ARG 66 - HA3 GLY 18 lone 1 59 - 2 - HB2 MET 11 - HA3 GLY 18 lone 1 45 - 3 - HB2 ARG 17 - HA2 GLY 18 lone 1 42 - 3 - HB2 ARG 66 - HA2 GLY 18 lone 1 57 - 2 - HB2 MET 11 - HA2 GLY 18 lone 1 44 - 3 - HB3 PRO 14 - HA3 GLY 18 lone 1 42 - 3 - HB3 PRO 14 - HA2 GLY 18 lone 1 40 - 3 - Peak 5497 from cnoeabs.peaks (1.87, 3.89, 63.89 ppm; 5.61 A): 7 out of 17 assignments used, quality = 0.88: HB3 PRO 14 + HB3 SER 22 OK 51 87 - 58 - 1.8/5498=21, ~5500=12...(11) HB3 ARG 23 + HB3 SER 22 OK 26 81 - 33 - 4.2/5320=17, ~5499=8...(4) HB3 PRO 34 + HB3 SER 22 OK 26 100 - 26 - 2.3/4862=5, 2.3/5566=4...(9) HB2 ARG 23 + HB3 SER 22 OK 26 78 - 33 - 4.2/5320=17, ~5499=8...(4) HB3 ARG 27 + HB3 SER 22 OK 17 92 - 19 - ~5499=4, 510/4.4=3...(7) HB2 ARG 27 + HB3 SER 22 OK 17 90 - 19 - ~5499=4, 510/4.4=3...(7) HB2 LYS 39 + HB3 SER 22 OK 11 93 - 12 - 5204/2238=2, 5203/2245=2 HB3 ARG 71 - HB3 SER 22 lone 8 92 - 8 - ~5499=2, 510/4.4=1 HB2 ARG 71 - HB3 SER 22 lone 8 90 - 8 - ~5499=2, 510/4.4=1, 5499/1.8=1 HB3 ARG 26 - HB3 SER 22 lone 6 96 - 7 - 4833/5084=2 HB2 ARG 26 - HB3 SER 22 lone 6 97 - 6 - 4833/5084=2 HB2 ARG 66 - HB3 SER 22 lone 6 99 - 6 - HB2 LYS 75 - HB3 SER 22 lone 4 68 - 6 - HB2 MET 11 - HB3 SER 22 lone 4 90 - 4 - HB ILE 68 - HB3 SER 22 lone 3 63 - 4 - HB2 GLN 91 - HB3 SER 22 lone 3 63 - 4 - HB2 ARG 17 - HB3 SER 22 lone 2 60 - 4 - Peak 5498 from cnoeabs.peaks (2.27, 3.89, 63.89 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.77: HG2 GLU 25 + HB3 SER 22 OK 55 98 - 57 - 5.0/5084=19, 5500/3.0=12...(8) HB2 PRO 14 + HB3 SER 22 OK 49 99 - 50 - 5500/3.0=15, 1.8/5497=9...(10) Peak 5499 from cnoeabs.peaks (1.84, 4.01, 63.89 ppm; 5.30 A): 4 out of 11 assignments used, quality = 0.66: HB2 ARG 23 + HB2 SER 22 OK 31 100 - 31 - 4.2/4156=22, ~5497=3...(4) HB3 ARG 23 + HB2 SER 22 OK 31 99 - 31 - 4.2/4156=22, ~5503=3...(4) HB2 ARG 27 + HB2 SER 22 OK 16 97 - 16 - 509/4.4=3, ~5503=2...(6) HB3 ARG 27 + HB2 SER 22 OK 15 96 - 16 - 510/4.4=3, ~5503=2...(6) HB2 LYS 39 - HB2 SER 22 lone 8 95 - 9 - 5204/4521=2, 5203/4522=1 HB2 ARG 71 - HB2 SER 22 lone 7 97 - 7 - 509/4.4=1, 4.0/304=1, ~5497=1 HB3 ARG 71 - HB2 SER 22 lone 7 96 - 7 - 510/4.4=1, 4.0/304=1, ~5497=1 HB2 LYS 75 - HB2 SER 22 lone 6 100 - 6 - HB2 LYS 73 - HB2 SER 22 lone 4 85 - 4 - 4.0/5987=1 HB2 ARG 17 - HB2 SER 22 lone 4 100 - 4 - HB ILE 89 - HB2 SER 22 lone 3 87 - 3 - Peak 5500 from cnoeabs.peaks (2.27, 4.45, 58.33 ppm; 4.55 A): 4 out of 6 assignments used, quality = 0.82: HB2 PRO 14 + HA SER 22 OK 52 100 - 52 - 5498/3.0=12, 1100=11...(12) HG2 GLU 25 + HA SER 22 OK 41 92 - 45 - 5498/3.0=13, 3.0/4153=7...(12) HG3 GLU 25 + HA SER 22 OK 26 63 - 42 - ~5498=10, 3.0/4153=7...(12) HB2 PRO 14 + HA TYR 81 OK 16 95 - 16 - 1100=3, 1.8/1107=3...(6) HG2 GLU 25 - HA TYR 81 lone 4 84 - 5 - HG3 GLU 25 - HA TYR 81 lone 2 56 - 3 - Peak 5501 from cnoeabs.peaks (8.34, 4.45, 58.33 ppm; 4.90 A): 6 out of 8 assignments used, quality = 0.76: H ASP 24 + HA SER 22 OK 46 100 - 46 - 4156/3.0=23, 5320/3.0=15...(6) H LYS 83 + HA TYR 81 OK 25 70 - 35 - 4.6/5474=21, 6056/4.8=12...(4) H GLU 19 + HA SER 22 OK 14 96 - 15 - 5320/3.0=5, 5319/3.0=4...(4) H ASP 24 + HA TYR 81 OK 13 95 - 14 - 4.6/3729=5, 3.6/5503=3...(4) H LYS 83 + HA SER 22 OK 12 78 - 15 - 5320/3.0=4, 4.6/5474=3...(4) H ALA 16 + HA SER 22 OK 12 87 - 13 - 4.6/10=5, 5320/3.0=3...(4) H ALA 16 - HA TYR 81 lone 3 79 - 3 - 4.6/10=1 H GLU 19 - HA TYR 81 lone 2 88 - 3 - Peak 5503 from cnoeabs.peaks (4.46, 4.13, 58.01 ppm; 5.39 A): 5 out of 12 assignments used, quality = 0.64: HA ASP 24 + HA ARG 27 OK 26 40 - 65 - 3.0/43=14, 5383/3.0=14...(19) HA SER 22 + HA ARG 23 OK 21 97 - 22 - 5501/3.6=12, ~5499=5, ~5497=2 HA ASP 24 + HA ARG 23 OK 19 63 - 30 - ~44=8, ~45=8, 4157/3.0=3...(8) HA SER 22 + HA ARG 27 OK 14 68 - 21 - 3.6/508=9, ~5499=3...(6) HA TYR 81 + HA ARG 23 OK 13 100 - 13 - 3729/3.0=7, 5501/3.6=4 HA ASP 67 - HA ARG 27 poor 8 58 - 13 - 6057/3.6=4, 5383/3.0=2...(4) HA PRO 14 - HA ARG 23 lone 7 100 - 7 - 39/3.0=4 HA ASP 67 - HA ARG 23 lone 5 87 - 6 - 516/3.6=1 HA PRO 14 - HA ARG 27 lone 5 74 - 6 - 6057/3.6=1 HA TYR 81 - HA ARG 27 lone 4 74 - 5 - HA THR 58 - HA ARG 23 lone 2 68 - 3 - 39/3.0=1 HA THR 58 - HA ARG 27 lone 2 43 - 4 - Peak 5505 from cnoeabs.peaks (1.87, 2.56, 40.55 ppm; 5.57 A): 5 out of 17 assignments used, quality = 0.94: HB ILE 68 + HB2 ASP 24 OK 52 63 - 84 - 3.2/4760=38, 2.9/5976=27...(10) HB3 ARG 27 + HB2 ASP 24 OK 44 92 - 48 - 4157/3.0=9, ~5524=8...(12) HB2 ARG 27 + HB2 ASP 24 OK 43 90 - 48 - 4157/3.0=9, ~5524=8...(12) HB3 ARG 23 + HB2 ASP 24 OK 38 81 - 47 - 4.2/517=31, 4157/3.0=5...(7) HB2 ARG 23 + HB2 ASP 24 OK 37 78 - 47 - 4.2/517=31, 4157/3.0=5...(7) HB3 ARG 26 - HB2 ASP 24 OK 27 96 - 28 - 4833/4.5=7, 4.6/3740=5...(8) HB2 ARG 26 - HB2 ASP 24 OK 27 97 - 28 - 4833/4.5=7, 4.6/3740=5...(8) HB3 ARG 71 - HB2 ASP 24 OK 13 92 - 14 - 4157/3.0=2, 4833/4.5=2...(6) HB2 ARG 71 - HB2 ASP 24 OK 13 90 - 14 - 4157/3.0=2, 4833/4.5=2...(6) HB2 ARG 66 - HB2 ASP 24 lone 9 99 - 9 - 5974/4760=2, 4833/4.5=1 HB3 PRO 14 - HB2 ASP 24 lone 7 87 - 8 - 4833/4.5=3, 4.0/3740=1 HB2 LYS 39 - HB2 ASP 24 lone 6 93 - 6 - 5974/4760=2 HB3 PRO 34 - HB2 ASP 24 lone 6 100 - 6 - 5974/4760=1 HB2 LYS 75 - HB2 ASP 24 lone 3 68 - 5 - 5974/4760=1 HB2 MET 11 - HB2 ASP 24 lone 3 90 - 3 - HB2 ARG 17 - HB2 ASP 24 lone 2 60 - 4 - HB2 GLN 91 - HB2 ASP 24 lone 2 63 - 3 - Peak 5506 from cnoeabs.peaks (1.87, 2.59, 40.55 ppm; 5.49 A): 6 out of 30 assignments used, quality = 0.94: HB ILE 68 + HB3 ASP 24 OK 61 76 - 81 - ~4760=28, ~5976=20...(10) HB3 ARG 27 + HB3 ASP 24 OK 37 83 - 45 - 3.0/5524=10, 4157/3.0=8...(11) HB2 ARG 27 + HB3 ASP 24 OK 36 81 - 45 - 3.0/5524=10, 4157/3.0=8...(11) HB3 ARG 23 + HB3 ASP 24 OK 31 68 - 45 - 4.2/518=31, 3.0/5524=4...(7) HB2 ARG 23 + HB3 ASP 24 OK 30 65 - 45 - 4.2/518=31, 3.0/5524=4...(7) HB3 ARG 26 + HB3 ASP 24 OK 26 99 - 26 - 4833/4.5=7, 4.6/3741=4...(7) HB2 ARG 26 - HB3 ASP 24 OK 25 99 - 25 - 4833/4.5=7, 4.6/3741=4...(7) HB2 MET 11 - HB3 ASP 47 OK 17 54 - 30 - 963/3.0=8, ~968=6...(7) HB3 ARG 71 - HB3 ASP 24 OK 10 83 - 12 - 4833/4.5=2, 4157/3.0=2...(5) HB2 ARG 71 - HB3 ASP 24 poor 10 81 - 12 - 4833/4.5=2, 4157/3.0=2...(5) HB ILE 68 - HB3 ASP 47 poor 8 38 - 19 - 2.1/4752=5, ~4447=3...(7) HB3 PRO 14 - HB3 ASP 24 lone 7 95 - 8 - 4833/4.5=3, 4.0/3741=1 HB2 ARG 66 - HB3 ASP 24 lone 7 100 - 7 - 4833/4.5=1 HB2 LYS 39 - HB3 ASP 24 lone 4 85 - 5 - HB3 PRO 34 - HB3 ASP 24 lone 4 100 - 4 - HB3 ARG 23 - HB3 ASP 47 poor 4 34 - 11 - 4.2/518=7, 3.0/5524=1 HB2 MET 11 - HB3 ASP 24 lone 4 97 - 4 - HB2 ARG 23 - HB3 ASP 47 poor 4 32 - 11 - 4.2/518=7, 3.0/5524=1 HB2 LYS 39 - HB3 ASP 47 lone 3 44 - 7 - 5111/5356=1 HB3 ARG 26 - HB3 ASP 47 lone 3 57 - 4 - HB2 ARG 26 - HB3 ASP 47 lone 3 58 - 4 - HB3 ARG 27 - HB3 ASP 47 lone 2 43 - 6 - HB2 ARG 27 - HB3 ASP 47 lone 2 41 - 6 - HB2 GLN 91 - HB3 ASP 24 lone 2 76 - 3 - HB2 ARG 66 - HB3 ASP 47 lone 2 60 - 3 - HB3 PRO 14 - HB3 ASP 47 lone 2 52 - 3 - HB3 PRO 34 - HB3 ASP 47 lone 1 60 - 2 - HB3 ARG 71 - HB3 ASP 47 lone 1 43 - 3 - HB2 ARG 71 - HB3 ASP 47 lone 1 41 - 3 - HB2 GLN 91 - HB3 ASP 47 lone 1 38 - 3 - Peak 5507 from cnoeabs.peaks (0.79, 2.56, 40.55 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.89: QD1 ILE 68 + HB2 ASP 24 OK 71 96 - 75 - 4760=41, 2.1/5976=18...(12) QG2 ILE 68 + HB2 ASP 24 OK 62 90 - 69 - 2.9/4760=30, 3.2/5976=16...(10) QG1 VAL 41 - HB2 ASP 24 lone 10 100 - 10 - 2.1/5508=3, 1976/5976=2 QD1 ILE 89 - HB2 ASP 24 lone 5 87 - 5 - ~4835=2 Peak 5508 from cnoeabs.peaks (0.94, 2.56, 40.55 ppm; 4.59 A): 4 out of 8 assignments used, quality = 0.80: HG12 ILE 68 + HB2 ASP 24 OK 63 85 - 74 - 2.1/4760=36, 1.8/5976=20...(10) QD2 LEU 43 + HB2 ASP 24 OK 30 100 - 30 - 4389/1.8=7, ~5356=5...(11) QG2 VAL 41 + HB2 ASP 24 OK 13 100 - 13 - 1982/4760=4, 2.1/5507=3...(4) QD1 LEU 64 + HB2 ASP 24 OK 10 92 - 11 - 2.1/5311=2, 5310/1.8=2...(4) QG2 ILE 40 - HB2 ASP 24 lone 9 97 - 9 - 2781/4760=3, 4298/5507=2 QD2 LEU 62 - HB2 ASP 24 lone 4 97 - 4 - QG2 VAL 76 - HB2 ASP 24 lone 3 85 - 3 - QG1 VAL 76 - HB2 ASP 24 lone 3 85 - 3 - Peak 5510 from cnoeabs.peaks (8.13, 2.26, 36.07 ppm; 5.41 A): 4 out of 21 assignments used, quality = 0.95: H ARG 26 + HG2 GLU 25 OK 86 100 - 86 - 58=32, 4.6/523=24...(15) H THR 88 + HG3 GLU 19 OK 30 61 - 50 - 5921/1.8=9, 5921=8...(13) H THR 88 + HG2 GLU 19 OK 30 61 - 50 - 5921/1.8=9, 5921=8...(13) H THR 88 + HG2 GLU 25 OK 28 100 - 28 - 3746/1.8=6, 3.0/5517=6...(9) H ARG 71 - HG2 GLU 25 OK 15 60 - 25 - 3746/1.8=4, 904/5.0=4...(10) H ARG 26 - HG2 GLU 19 OK 14 61 - 22 - 58=4, 58/1.8=4...(8) H ARG 26 - HG3 GLU 19 OK 14 61 - 22 - 58=4, 58/1.8=4...(8) H ALA 78 - HG2 GLU 25 OK 12 95 - 13 - 3746/1.8=3, 3.6/5514=2 H ASN 74 - HG2 GLU 25 lone 8 89 - 9 - 58=2, 3746/1.8=1, 904/5.0=1 H LEU 57 - HG2 GLU 25 lone 6 90 - 6 - 3746/1.8=1 H LYS 85 - HG2 GLU 25 lone 3 57 - 6 - H ALA 78 - HG2 GLU 19 lone 3 54 - 5 - H ALA 78 - HG3 GLU 19 lone 3 54 - 5 - H ASN 74 - HG2 GLU 19 lone 2 49 - 3 - H ASN 74 - HG3 GLU 19 lone 2 49 - 3 - H LEU 57 - HG3 GLU 19 lone 1 50 - 3 - H LEU 57 - HG2 GLU 19 lone 1 50 - 3 - H LYS 85 - HG3 GLU 19 lone 1 29 - 4 - H LYS 85 - HG2 GLU 19 lone 1 29 - 4 - H ARG 71 - HG3 GLU 19 lone 1 30 - 4 - H ARG 71 - HG2 GLU 19 lone 1 30 - 4 - Peak 5512 from cnoeabs.peaks (1.35, 2.30, 36.07 ppm; 5.30 A): 3 out of 22 assignments used, quality = 0.66: QB ALA 28 + HG3 GLU 25 OK 57 97 - 60 - 4181/4.1=13, 5511/5.0=11...(15) HB2 LEU 52 + HG3 GLU 25 OK 10 93 - 11 - 5511/5.0=2, 6128/5513=2...(4) QB ALA 16 + HG3 GLU 25 OK 10 97 - 11 - 5511/5.0=3, 5514/1.8=2, ~5517=1 QB ALA 77 - HG3 GLU 25 poor 9 68 - 13 - 5514/1.8=2, 3.6/3746=2...(7) HB2 LEU 51 - HG3 GLU 25 poor 8 63 - 12 - 5511/5.0=2, ~5679=1...(4) QB ALA 20 - HG3 GLU 25 lone 6 63 - 10 - 5514/1.8=2, 5511/5.0=1 HG3 ARG 69 - HG3 GLU 25 lone 5 65 - 8 - 5514/1.8=1 QB ALA 28 - HG3 GLU 59 lone 4 71 - 6 - HG3 LYS 32 - HG3 GLU 25 lone 4 81 - 5 - 5511/5.0=1 QB ALA 12 - HG3 GLU 25 lone 4 89 - 4 - HG2 LYS 83 - HG3 GLU 25 lone 4 85 - 4 - 5511/5.0=1 HB2 LEU 52 - HG3 GLU 59 lone 3 67 - 5 - ~4955=2 HG2 LYS 85 - HG3 GLU 25 lone 3 63 - 4 - HB2 LEU 51 - HG3 GLU 59 lone 2 41 - 5 - ~4642=1, 235/4.9=1 QB ALA 16 - HG3 GLU 59 lone 1 72 - 2 - HG3 LYS 32 - HG3 GLU 59 lone 1 55 - 3 - QB ALA 12 - HG3 GLU 59 lone 1 62 - 2 - HG2 LYS 83 - HG3 GLU 59 lone 1 59 - 2 - QB ALA 77 - HG3 GLU 59 lone 1 45 - 2 - HG3 ARG 69 - HG3 GLU 59 lone 1 43 - 2 - HG2 LYS 85 - HG3 GLU 59 lone 1 41 - 2 - QB ALA 20 - HG3 GLU 59 lone 1 41 - 2 - Peak 5513 from cnoeabs.peaks (1.16, 2.30, 36.07 ppm; 5.24 A): 3 out of 8 assignments used, quality = 0.71: QG2 THR 37 + HG3 GLU 25 OK 57 99 - 58 - 4164/1.8=18, 5105/4.1=18...(8) QG2 THR 88 + HG3 GLU 25 OK 20 89 - 22 - 4164/1.8=6, 4.0/3746=4...(8) HG12 ILE 89 + HG3 GLU 25 OK 17 81 - 21 - 4164/1.8=6, 3.2/4804=5...(7) QG2 THR 15 - HG3 GLU 25 poor 9 63 - 15 - 4164/1.8=3, 3.9/1352=3...(6) QG2 THR 37 - HG3 GLU 59 lone 7 74 - 10 - 4274/3.0=2, 4274/3.0=2 QG2 THR 88 - HG3 GLU 59 lone 2 62 - 3 - HG12 ILE 89 - HG3 GLU 59 lone 2 55 - 3 - QG2 THR 15 - HG3 GLU 59 lone 1 41 - 2 - Peak 5514 from cnoeabs.peaks (1.36, 2.26, 36.07 ppm; 5.08 A): 6 out of 39 assignments used, quality = 0.77: QB ALA 28 + HG2 GLU 25 OK 44 78 - 56 - 5512/1.8=14, 5511/5.0=10...(15) QB ALA 20 + HG2 GLU 19 OK 23 49 - 47 - ~29=10, ~31=7, ~30=7...(14) QB ALA 20 + HG3 GLU 19 OK 23 49 - 47 - ~29=10, ~31=7, ~30=7...(14) QB ALA 20 + HG2 GLU 25 OK 12 89 - 13 - 4.8/5284=3, 4.8/5284=3...(4) QB ALA 16 + HG2 GLU 25 OK 11 100 - 11 - 5512/1.8=3, 5511/5.0=3 QB ALA 77 + HG2 GLU 25 OK 11 92 - 12 - 5512/1.8=2, 3.6/5510=1...(6) HB2 LEU 52 - HG2 GLU 25 poor 7 71 - 10 - 5512/1.8=3, 5511/5.0=2 HG3 ARG 69 - HG2 GLU 25 lone 7 90 - 7 - 5512/1.8=1 QB ALA 78 - HG2 GLU 25 lone 5 65 - 8 - ~3746=2, 2.9/5510=1 HG2 LYS 83 - HG2 GLU 25 lone 4 99 - 4 - HG2 LYS 85 - HG2 GLU 25 lone 3 89 - 4 - QB ALA 28 - HG2 GLU 19 lone 3 41 - 8 - QB ALA 28 - HG3 GLU 19 lone 3 41 - 8 - QB ALA 16 - HG2 GLU 19 lone 3 62 - 5 - QB ALA 16 - HG3 GLU 19 lone 3 62 - 5 - HG3 ARG 69 - HG3 GLU 19 lone 3 50 - 6 - HG3 ARG 69 - HG2 GLU 19 lone 3 50 - 6 - QB ALA 12 - HG2 GLU 25 lone 3 63 - 4 - QB ALA 77 - HG2 GLU 19 lone 2 52 - 5 - QB ALA 77 - HG3 GLU 19 lone 2 52 - 5 - HG2 LYS 83 - HG3 GLU 19 lone 2 59 - 3 - HG2 LYS 83 - HG2 GLU 19 lone 2 59 - 3 - HG3 LYS 73 - HG2 GLU 25 lone 2 65 - 2 - HG3 LYS 75 - HG2 GLU 25 lone 1 60 - 2 - HG2 LYS 75 - HG2 GLU 25 lone 1 60 - 2 - QB ALA 12 - HG2 GLU 19 lone 1 32 - 4 - QB ALA 12 - HG3 GLU 19 lone 1 32 - 4 - QB ALA 78 - HG2 GLU 19 lone 1 33 - 3 - QB ALA 78 - HG3 GLU 19 lone 1 33 - 3 - HG2 LYS 85 - HG2 GLU 19 lone 1 49 - 2 - HG2 LYS 85 - HG3 GLU 19 lone 1 49 - 2 - HB2 LEU 52 - HG2 GLU 19 lone 1 37 - 2 - HB2 LEU 52 - HG3 GLU 19 lone 1 37 - 2 - HG3 LYS 73 - HG3 GLU 19 lone 1 33 - 2 - HG3 LYS 73 - HG2 GLU 19 lone 1 33 - 2 - HG2 LYS 75 - HG2 GLU 19 lone 1 30 - 2 - HG3 LYS 75 - HG3 GLU 19 lone 1 30 - 2 - HG3 LYS 75 - HG2 GLU 19 lone 1 30 - 2 - HG2 LYS 75 - HG3 GLU 19 lone 1 30 - 2 - Peak 5515 from cnoeabs.peaks (1.17, 2.05, 29.32 ppm; 6.50 A): 3 out of 20 assignments used, quality = 0.90: QG2 THR 37 + HB3 GLU 25 OK 65 100 - 65 - 5105/3.0=24, 5513/3.0=21...(7) QG2 THR 37 + HB2 GLU 25 OK 65 100 - 65 - 5105/3.0=24, 5513/3.0=21...(7) QG2 THR 88 + HB2 GLU 25 OK 17 65 - 26 - 5513/3.0=7, 4164/3.0=7...(6) QG2 THR 88 - HB3 GLU 25 OK 17 65 - 26 - 5513/3.0=7, 4164/3.0=7...(6) QG2 THR 15 - HB2 GLU 25 OK 16 87 - 18 - 1136/4.0=4, 5513/3.0=4...(4) QG2 THR 15 - HB3 GLU 25 OK 16 87 - 18 - 1136/4.0=4, 5513/3.0=4...(4) HG LEU 52 - HB2 GLU 50 OK 13 52 - 24 - 5690/4.7=12, 3865/5698=3...(5) HG LEU 52 - HB3 GLU 50 OK 13 52 - 24 - 5690/4.7=12, 3865/5698=3...(5) HG LEU 52 - HB3 GLU 25 OK 10 78 - 13 - ~5512=2, 5532/5531=1...(5) HG LEU 52 - HB2 GLU 25 OK 10 78 - 13 - ~5512=2, 5532/5531=1...(5) QG2 THR 37 - HB3 PRO 56 poor 7 56 - 13 - 4274/2.3=3, 4274/1.8=3, ~4884=1 QG2 THR 37 - HB2 GLU 50 lone 6 76 - 9 - QG2 THR 37 - HB3 GLU 50 lone 6 76 - 9 - QG2 THR 15 - HB3 GLU 50 lone 3 59 - 4 - QG2 THR 15 - HB2 GLU 50 lone 3 59 - 4 - QG2 THR 88 - HB2 GLU 50 lone 2 42 - 5 - QG2 THR 88 - HB3 GLU 50 lone 2 42 - 5 - QG2 THR 15 - HB3 PRO 56 lone 2 43 - 3 - HG LEU 52 - HB3 PRO 56 lone 2 38 - 4 - QG2 THR 88 - HB3 PRO 56 lone 1 30 - 5 - Peak 5517 from cnoeabs.peaks (4.29, 2.26, 36.07 ppm; 4.32 A): 5 out of 24 assignments used, quality = 0.61: HA GLU 87 + HG3 GLU 19 OK 22 38 - 58 - 3557/3.0=6, 3558/3.0=6...(38) HA GLU 87 + HG2 GLU 19 OK 22 38 - 58 - 3557/3.0=6, 3558/3.0=6...(38) HA THR 88 + HG2 GLU 25 OK 15 96 - 16 - 3.2/4164=4, ~5513=3...(4) HA THR 88 + HG3 GLU 19 OK 13 55 - 23 - ~5921=4, 3.0/5921=4...(9) HA THR 88 + HG2 GLU 19 OK 13 55 - 23 - ~5921=4, 3.0/5921=4...(9) HA GLU 87 - HG2 GLU 25 lone 4 73 - 6 - 3.6/5510=2 HA ALA 16 - HG2 GLU 25 lone 4 87 - 5 - 2.1/5514=2, ~5512=1 HA LEU 86 - HG2 GLU 25 lone 4 97 - 4 - 4.0/4165=1 HA ARG 17 - HG2 GLU 25 lone 2 93 - 3 - HA LEU 86 - HG3 GLU 19 lone 2 57 - 4 - HA LEU 86 - HG2 GLU 19 lone 2 57 - 4 - HA SER 60 - HG2 GLU 25 lone 1 93 - 2 - HA ARG 17 - HG3 GLU 19 lone 1 53 - 3 - HA ARG 17 - HG2 GLU 19 lone 1 53 - 3 - HA ASP 38 - HG2 GLU 19 lone 1 54 - 2 - HA ASP 38 - HG3 GLU 19 lone 1 54 - 2 - HA ALA 16 - HG3 GLU 19 lone 1 48 - 3 - HA ALA 16 - HG2 GLU 19 lone 1 48 - 3 - HA ASP 38 - HG2 GLU 25 lone 1 95 - 1 - HA PRO 34 - HG2 GLU 25 lone 1 73 - 1 - HA SER 60 - HG2 GLU 19 lone 1 53 - 1 - HA SER 60 - HG3 GLU 19 lone 1 53 - 1 - HA PRO 34 - HG2 GLU 19 lone 1 38 - 1 - HA PRO 34 - HG3 GLU 19 lone 1 38 - 1 - Peak 5518 from cnoeabs.peaks (7.70, 4.12, 58.29 ppm; 5.22 A): 2 out of 15 assignments used, quality = 0.50: H MET 31 + HA ARG 27 OK 43 99 - 44 - 3.6/5388=23, 4.5/5386=10...(5) H MET 31 + HA GLU 25 OK 12 54 - 23 - 3.6/5388=8, 4.5/5387=6...(6) H GLN 61 - HA ARG 27 poor 9 87 - 10 - 4658/5.0=2, 3770/5388=1 H MET 31 - HA ARG 23 poor 9 72 - 12 - 3.6/5388=4, 4.5/5386=2...(4) H ASN 42 - HA ARG 27 lone 6 87 - 7 - 4838/5.0=3 H TYR 55 - HA ARG 27 lone 6 97 - 7 - 4838/5.0=3 H GLU 50 - HA ARG 27 lone 6 65 - 9 - 4838/5.0=3 H GLN 61 - HA ARG 23 lone 5 58 - 9 - 242/3.0=3, 712/3.8=1, 5.0/5524=1 H TYR 55 - HA ARG 23 lone 3 69 - 4 - H GLU 50 - HA ARG 23 lone 2 41 - 5 - H GLN 61 - HA GLU 25 lone 2 42 - 5 - H GLU 50 - HA GLU 25 lone 2 30 - 6 - H ASN 42 - HA GLU 25 lone 2 42 - 4 - H TYR 55 - HA GLU 25 lone 2 51 - 3 - H ASN 42 - HA ARG 23 lone 1 58 - 2 - Peak 5524 from cnoeabs.peaks (2.60, 4.12, 58.29 ppm; 5.28 A): 4 out of 18 assignments used, quality = 0.79: HB3 ASP 24 + HA ARG 27 OK 54 89 - 61 - ~5383=19, 4.0/43=11...(16) HB3 ASP 24 + HA ARG 23 OK 25 60 - 42 - 518/3.6=28, ~4157=3...(8) HB3 ASP 24 + HA GLU 25 OK 23 44 - 51 - 53/2.9=29, ~52=25...(5) HG2 MET 31 + HA ARG 27 OK 21 83 - 25 - 4.7/5518=10, 6118=9...(4) HG2 GLN 61 - HA ARG 27 lone 9 100 - 9 - 5.0/5518=2, 6116/5388=1 HG2 GLN 61 - HA ARG 23 poor 8 74 - 11 - 518/3.6=4, 2551/3.8=2...(4) HB3 ASP 47 - HA GLU 25 poor 6 46 - 14 - 53/2.9=7, 4444/3.0=1, 4444/3.0=1 HG2 MET 31 - HA GLU 25 poor 6 40 - 16 - 6118=4, 4.7/5518=3...(6) HB3 ASP 47 - HA ARG 23 lone 6 63 - 10 - 518/3.6=7 HB3 ASP 47 - HA ARG 27 lone 5 92 - 6 - HG2 GLN 61 - HA GLU 25 lone 5 55 - 9 - 53/2.9=4, ~52=1 HG2 MET 31 - HA ARG 23 lone 4 55 - 8 - 6118=2, 4.7/5518=2 HB2 ASP 38 - HA ARG 27 lone 3 90 - 3 - HB3 ASP 38 - HA ARG 27 lone 3 89 - 3 - HB2 ASP 38 - HA ARG 23 lone 1 61 - 2 - HB3 ASP 38 - HA ARG 23 lone 1 60 - 2 - HB2 ASP 38 - HA GLU 25 lone 1 45 - 2 - HB3 ASP 38 - HA GLU 25 lone 1 44 - 2 - Peak 5526 from cnoeabs.peaks (7.70, 4.16, 56.71 ppm; 4.77 A): 8 out of 15 assignments used, quality = 0.91: H MET 31 + HA LEU 29 OK 63 99 - 64 - 86/3.6=23, 5525/3.0=16...(9) H TYR 55 + HA LEU 29 OK 24 97 - 25 - 4582=7, 909/3.6=3...(8) H ASN 42 + HA LEU 29 OK 23 87 - 26 - 5525/3.0=5, 5635/3.0=5...(7) H GLN 61 + HA LEU 29 OK 20 87 - 23 - 5759/3.6=6, 3770/4.5=3...(8) H ASN 42 + HA LYS 73 OK 18 74 - 24 - 4.1/5626=13, 4.1/5625=10 H TYR 55 + HA LYS 73 OK 15 86 - 17 - 4582=5, 5732/3.8=3...(5) H GLU 50 + HA LEU 29 OK 15 65 - 23 - 5525/3.0=5, 909/3.6=3...(7) H MET 31 + HA LYS 73 OK 13 89 - 15 - 4.6/4205=3, 86/3.0=3, 4.5/80=2 H GLN 61 - HA LYS 73 poor 9 74 - 12 - 5759/3.0=3, 4657/3.8=2 H ASN 42 - HA ARG 84 lone 4 50 - 9 - 4.1/5626=2, 4.1/5625=2 H GLU 50 - HA LYS 73 lone 4 54 - 8 - H MET 31 - HA ARG 84 lone 4 62 - 6 - 4.5/80=1 H TYR 55 - HA ARG 84 lone 3 59 - 5 - 4582=1 H GLN 61 - HA ARG 84 lone 1 50 - 3 - H GLU 50 - HA ARG 84 lone 1 35 - 3 - Peak 5529 from cnoeabs.peaks (2.06, 3.96, 54.22 ppm; 5.31 A): 3 out of 16 assignments used, quality = 0.97: HB3 MET 31 + HA ALA 28 OK 74 97 - 77 - 3.0/5530=25, 4.0/4182=14...(15) HB3 GLU 25 + HA ALA 28 OK 68 100 - 68 - ~4181=11, ~5512=10...(21) HB2 GLU 25 + HA ALA 28 OK 67 99 - 68 - ~4181=11, ~5512=10...(21) HB VAL 76 - HA ALA 28 OK 31 92 - 33 - 4.0/3761=5, 3985/3.0=3...(13) HB2 GLU 50 - HA ALA 28 OK 23 85 - 27 - 3.9/4182=4, 4.7/188=3...(13) HB3 GLU 50 - HA ALA 28 OK 23 85 - 27 - 3.9/4182=4, 4.7/188=3...(13) HD3 ARG 69 - HA ALA 28 poor 9 60 - 15 - 3.0/4172=2, 3.9/5047=2...(6) HD2 ARG 69 - HA ALA 28 poor 9 60 - 15 - 3.0/4172=2, 3.9/5047=2...(6) HB3 GLU 19 - HA ALA 28 lone 8 81 - 9 - 1.8/4176=1, ~4837=1 HG2 PRO 44 - HA ALA 28 lone 8 96 - 8 - HB3 GLN 91 - HA ALA 28 lone 4 85 - 5 - HB VAL 45 - HA ALA 28 lone 4 99 - 4 - HB2 GLU 87 - HA ALA 28 lone 3 63 - 5 - HG2 PRO 56 - HA ALA 28 lone 3 78 - 3 - HB2 PRO 56 - HA ALA 28 lone 2 60 - 3 - HB3 PRO 56 - HA ALA 28 lone 2 63 - 3 - Peak 5530 from cnoeabs.peaks (2.64, 3.96, 54.22 ppm; 5.64 A): 1 out of 4 assignments used, quality = 0.69: HG2 MET 31 + HA ALA 28 OK 69 95 - 73 - ~5533=14, 4.7/4182=13...(16) HB3 ASP 38 - HA ALA 28 lone 7 90 - 8 - 4.0/120=2 HB2 ASP 38 - HA ALA 28 lone 7 89 - 8 - 4.0/120=2 HB2 ASP 47 - HA ALA 28 lone 4 65 - 6 - Peak 5531 from cnoeabs.peaks (2.06, 1.34, 17.80 ppm; 4.92 A): 3 out of 17 assignments used, quality = 0.96: HB3 MET 31 + QB ALA 28 OK 69 100 - 69 - ~5530=15, 3.0/5533=13...(15) HB3 GLU 25 + QB ALA 28 OK 65 97 - 68 - 3.0/4181=15, 3.0/5512=12...(23) HB2 GLU 25 + QB ALA 28 OK 65 96 - 68 - 3.0/4181=15, 3.0/5512=12...(23) HB VAL 76 - QB ALA 28 OK 23 81 - 28 - 4.0/3762=4, 3.0/1474=4...(13) HB2 GLU 50 - QB ALA 28 OK 17 71 - 24 - 3.9/4838=4, 3.0/1474=2...(10) HB3 GLU 50 - QB ALA 28 OK 17 71 - 24 - 3.9/4838=4, 3.0/1474=2...(10) HB3 GLU 19 - QB ALA 28 lone 6 65 - 9 - 1.8/4837=1 HB3 PRO 44 - QB ALA 28 lone 4 71 - 6 - HG2 PRO 44 - QB ALA 28 lone 4 87 - 5 - HB VAL 45 - QB ALA 28 lone 4 100 - 4 - HB3 GLN 91 - QB ALA 28 lone 4 71 - 5 - HB3 GLU 59 - QB ALA 28 lone 3 68 - 5 - HB2 GLU 59 - QB ALA 28 lone 3 68 - 5 - HB2 PRO 56 - QB ALA 28 lone 2 76 - 3 - HG2 PRO 36 - QB ALA 28 lone 2 63 - 3 - 4274/6128=1 HG2 PRO 56 - QB ALA 28 lone 2 63 - 3 - HG3 PRO 56 - QB ALA 28 lone 2 71 - 3 - Peak 5532 from cnoeabs.peaks (1.19, 1.34, 17.80 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.68: QG2 THR 37 + QB ALA 28 OK 47 95 - 50 - 6128=28, 4285/4179=7...(9) HG LEU 52 + QB ALA 28 OK 32 97 - 33 - 2274=8, 2.1/2288=5...(12) QG2 VAL 65 + QB ALA 28 OK 12 63 - 19 - 4757/5302=2, 4727/4179=2...(8) QG2 THR 15 - QB ALA 28 lone 9 99 - 9 - 1136/2.9=1, 3.9/1473=1 Peak 5533 from cnoeabs.peaks (2.54, 1.34, 17.80 ppm; 5.25 A): 3 out of 4 assignments used, quality = 0.84: HG3 MET 31 + QB ALA 28 OK 59 83 - 72 - ~5530=22, 4.9/3762=9...(19) HB2 ASP 24 + QB ALA 28 OK 40 97 - 41 - 4760/5302=12...(7) HB2 GLN 61 + QB ALA 28 OK 34 87 - 39 - 4225/4178=5, 2533/2.1=5...(16) HB3 ASP 46 - QB ALA 28 lone 8 100 - 8 - 52/5511=1, 4760/5302=1 Peak 5536 from cnoeabs.peaks (0.85, 1.45, 18.14 ppm; 4.64 A): 4 out of 7 assignments used, quality = 0.96: QD2 LEU 29 + QB ALA 30 OK 76 99 - 77 - 85/2.9=11, 4188/2.1=10...(21) QD2 LEU 64 + QB ALA 30 OK 48 99 - 49 - 4192/3.6=8, 85/2.9=7...(16) QD1 LEU 29 + QB ALA 30 OK 46 63 - 73 - ~81=9, 3.1/4843=9...(20) QG2 ILE 89 + QB ALA 30 OK 41 97 - 42 - 4.0/5539=5, 85/2.9=5...(15) QD1 LEU 43 - QB ALA 30 OK 30 76 - 40 - 4192/3.6=5, 85/2.9=5...(14) QD1 LEU 62 - QB ALA 30 OK 25 78 - 32 - 3.1/4843=6, 84/2.9=5...(12) QD2 LEU 86 - QB ALA 30 OK 24 83 - 29 - 85/2.9=5, 1512/4.5=4...(8) Peak 5537 from cnoeabs.peaks (1.87, 1.45, 18.14 ppm; 4.19 A): 7 out of 15 assignments used, quality = 0.86: HB3 ARG 27 + QB ALA 30 OK 36 83 - 44 - 3.0/5388=22, 4.1/5539=8...(12) HB2 ARG 27 + QB ALA 30 OK 35 81 - 44 - 3.0/5388=22, 4.1/5539=8...(10) HB2 ARG 26 + QB ALA 30 OK 27 99 - 28 - 4.6/5539=7, 4194/2.9=5...(8) HB3 ARG 26 + QB ALA 30 OK 27 99 - 28 - 4.6/5539=7, 4194/2.9=5...(8) HB3 ARG 71 + QB ALA 30 OK 17 83 - 20 - 3.0/5388=5, ~5387=3...(5) HB2 ARG 71 + QB ALA 30 OK 16 81 - 20 - 3.0/5388=5, ~5387=3...(5) HB2 ARG 66 + QB ALA 30 OK 11 100 - 11 - 4194/2.9=3, ~4841=1, ~5378=1 HB3 ARG 23 - QB ALA 30 poor 9 68 - 13 - 3.0/5388=4, ~1285=1, ~4842=1 HB2 ARG 23 - QB ALA 30 poor 9 65 - 13 - 3.0/5388=4, ~1285=1, ~4842=1 HB ILE 68 - QB ALA 30 poor 8 76 - 11 - 4194/2.9=4, ~3936=1...(4) HB2 GLN 91 - QB ALA 30 lone 3 76 - 4 - 4194/2.9=1 HB3 PRO 34 - QB ALA 30 lone 3 100 - 3 - HB3 PRO 14 - QB ALA 30 lone 3 95 - 3 - 4194/2.9=1 HB2 LYS 39 - QB ALA 30 lone 2 85 - 2 - HB2 MET 11 - QB ALA 30 lone 1 97 - 2 - Peak 5539 from cnoeabs.peaks (8.17, 1.45, 18.14 ppm; 5.30 A): 4 out of 7 assignments used, quality = 0.83: H ARG 27 + QB ALA 30 OK 65 100 - 66 - 3.0/5388=25, 5519=20...(10) H ILE 89 + QB ALA 30 OK 34 100 - 34 - 5269=6, 409/2.1=5...(11) H GLU 25 + QB ALA 30 OK 16 65 - 25 - 2.9/5388=9, ~5387=6...(6) H ARG 84 + QB ALA 30 OK 10 71 - 14 - 5538/2.9=2, 841/4.5=2...(4) H LEU 57 - QB ALA 30 poor 9 76 - 12 - 4.6/228=2, 3.8/4843=2...(4) H ASN 74 - QB ALA 30 lone 6 78 - 8 - 4.5/1521=2, 322/2.9=1 H ALA 78 - QB ALA 30 lone 2 68 - 2 - Peak 5543 from cnoeabs.peaks (1.45, 3.98, 56.13 ppm; 5.28 A): 8 out of 9 assignments used, quality = 0.93: HG12 ILE 33 + HA LYS 32 OK 61 100 - 62 - 4.5/3776=37, 5541/3.0=9...(14) QB ALA 30 + HA LYS 32 OK 41 100 - 41 - 5541/3.0=12, ~4205=9...(6) HB3 LEU 57 + HA LYS 32 OK 25 83 - 30 - 574/3.6=6, 5541/3.0=5...(11) HB3 LEU 52 + HA LYS 32 OK 21 71 - 30 - 3.1/5695=5, 4.6/4549=4...(11) HG13 ILE 89 + HA LYS 32 OK 19 98 - 19 - 1665/3.6=10, 5541/3.0=4 HG3 LYS 13 + HA LYS 32 OK 15 99 - 15 - 5541/3.0=2, 574/3.6=2...(4) HG2 LYS 13 + HA LYS 32 OK 10 71 - 14 - ~5541=2, 574/3.6=2, 5541/3.0=1 HB3 LEU 43 + HA LYS 32 OK 10 97 - 11 - 5541/3.0=4, 574/3.6=2 HG3 LYS 85 - HA LYS 32 lone 9 100 - 9 - 5541/3.0=1 Peak 5545 from cnoeabs.peaks (7.45, 3.89, 56.86 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.88: HE21 GLN 61 + HA ILE 33 OK 77 99 - 78 - 1.7/4206=22, 5762=21...(11) H LEU 52 + HA ILE 33 OK 47 81 - 59 - 4210/4.1=10, 194=10...(15) HE21 GLN 79 - HA ILE 33 lone 2 68 - 3 - Peak 5546 from cnoeabs.peaks (6.32, 3.89, 56.86 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.94: H PHE 35 + HA ILE 33 OK 94 97 - 97 - 4248/3.2=48, 5547/3.0=40...(17) Peak 5547 from cnoeabs.peaks (6.33, 1.77, 36.30 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.83: H PHE 35 + HB ILE 33 OK 83 90 - 92 - 4248/2.1=45, 5351/3.2=31...(17) Peak 5548 from cnoeabs.peaks (6.83, 0.31, 17.04 ppm; 5.71 A): 2 out of 2 assignments used, quality = 0.99: HE22 GLN 61 + QG2 ILE 33 OK 95 100 - 95 - 1.7/5549=28, 4655/4.1=25...(22) QE TYR 55 + QG2 ILE 33 OK 71 95 - 75 - 4206/3.2=17, 4213/3.2=17...(17) Peak 5549 from cnoeabs.peaks (7.45, 0.31, 17.04 ppm; 5.72 A): 2 out of 3 assignments used, quality = 0.96: HE21 GLN 61 + QG2 ILE 33 OK 93 100 - 93 - 4669/3.2=24, 1.7/5548=24...(19) H LEU 52 + QG2 ILE 33 OK 44 68 - 65 - 5545/3.2=15, 5.0/5197=13...(14) HE21 GLN 79 - QG2 ILE 33 lone 3 81 - 3 - Peak 5550 from cnoeabs.peaks (7.70, 0.71, 10.76 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.95: H MET 31 + QD1 ILE 33 OK 69 100 - 69 - 4.0/6120=14, 4.7/4225=12...(16) H GLN 61 + QD1 ILE 33 OK 66 76 - 86 - 4659=18, 4.0/4225=18...(27) H TYR 55 + QD1 ILE 33 OK 56 92 - 61 - 4.4/4636=13, 3.8/4587=13...(18) H GLU 50 - QD1 ILE 33 OK 16 78 - 21 - 3.0/4503=4, 5672/4210=2...(5) H ASN 42 - QD1 ILE 33 OK 16 95 - 17 - 5544/4.8=2, 618/4579=2...(6) Peak 5551 from cnoeabs.peaks (6.64, 0.71, 10.76 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 35 + QD1 ILE 33 OK 93 95 - 98 - 4567/3.2=46, ~4583=35...(34) Peak 5552 from cnoeabs.peaks (6.64, 2.72, 50.48 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + HD2 PRO 34 OK 99 99 - 99 - 4243/2.3=48, 4242/2.3=46...(30) Peak 5553 from cnoeabs.peaks (6.30, 2.72, 50.48 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.94: H PHE 35 + HD2 PRO 34 OK 94 97 - 97 - 4248/4.1=42, 110=38...(17) Peak 5554 from cnoeabs.peaks (6.31, 3.54, 50.48 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.97: H PHE 35 + HD3 PRO 34 OK 97 99 - 98 - 4248/4.1=44, 5553/1.8=41...(17) H PHE 35 - HD3 PRO 36 OK 44 44 - 100 - 4.8=100 Peak 5557 from cnoeabs.peaks (4.31, 0.31, 17.04 ppm; 5.30 A): 4 out of 4 assignments used, quality = 0.94: HA PRO 34 + QG2 ILE 33 OK 91 100 - 91 - 3.6/4248=46, 3.6/4215=36...(22) HA ALA 16 + QG2 ILE 33 OK 14 100 - 13 - 5558/4.1=4, 1693/4.1=3...(4) HA LEU 86 + QG2 ILE 33 OK 12 96 - 12 - 5558/4.1=4, 1693/4.1=4 HA GLU 87 + QG2 ILE 33 OK 11 100 - 11 - 5558/4.1=4, 1693/4.1=3 Peak 5558 from cnoeabs.peaks (4.31, 2.72, 50.48 ppm; 5.47 A): 1 out of 5 assignments used, quality = 0.99: HA PRO 34 + HD2 PRO 34 OK 99 99 - 100 - 3.6=100 HA LEU 86 - HD2 PRO 34 OK 29 99 - 29 - 1721/2.3=6, 1728/2.3=6...(7) HA GLU 87 - HD2 PRO 34 OK 24 99 - 24 - 1728/2.3=5, 1721/2.3=5...(6) HA ALA 16 - HD2 PRO 34 OK 23 100 - 23 - 1721/2.3=5, 1728/2.3=5...(6) HA THR 88 - HD2 PRO 34 lone 1 60 - 2 - Peak 5560 from cnoeabs.peaks (0.84, 1.77, 36.30 ppm; 5.15 A): 3 out of 5 assignments used, quality = 0.93: QG2 ILE 89 + HB ILE 33 OK 73 100 - 73 - 6122/3.2=10, ~1668=10...(25) QD2 LEU 64 + HB ILE 33 OK 64 100 - 64 - 6122/3.2=11, 5030/3.0=10...(16) QD1 LEU 43 + HB ILE 33 OK 28 92 - 30 - 6122/3.2=5, 2033/3.0=3...(14) QD2 LEU 29 - HB ILE 33 OK 22 100 - 22 - 5559/3.9=6, 6122/3.2=3...(8) QD2 LEU 86 - HB ILE 33 OK 11 96 - 11 - 6122/3.2=2, 5559/3.9=2 Peak 5561 from cnoeabs.peaks (6.31, 1.78, 30.55 ppm; 5.45 A): 1 out of 6 assignments used, quality = 1.00: H PHE 35 + HB2 PRO 34 OK 100 100 - 100 - 4.0=100 H PHE 35 - HB2 LYS 32 OK 14 65 - 22 - 3.6/1707=4, 106=2...(11) H PHE 35 - HB3 LYS 32 OK 14 65 - 22 - 3.6/1707=4, 106=2...(11) H PHE 35 - HB2 ARG 54 poor 10 51 - 19 - 4.5/5707=4, 106=2...(4) H PHE 35 - HB3 ARG 82 lone 7 91 - 8 - 3.6/1707=2 H PHE 35 - HB3 ARG 84 lone 3 70 - 4 - Peak 5562 from cnoeabs.peaks (6.30, 1.87, 30.55 ppm; 5.28 A): 1 out of 6 assignments used, quality = 0.97: H PHE 35 + HB3 PRO 34 OK 97 97 - 100 - 4.0=100 H PHE 35 - HB3 ARG 71 poor 8 47 - 16 - 3.6/1702=3, 5594=3...(7) H PHE 35 - HB2 ARG 71 poor 7 46 - 16 - 3.6/1702=3, 5594=3...(6) H PHE 35 - HB3 ARG 27 lone 4 43 - 8 - 5594=1, 3.6/1702=1, 5594/1.8=1 H PHE 35 - HB2 ARG 27 lone 4 42 - 8 - 5594=1, 5594/1.8=1, 3.6/1702=1 H PHE 35 - HB2 GLN 91 lone 3 65 - 5 - Peak 5563 from cnoeabs.peaks (6.81, 4.32, 63.87 ppm; 5.25 A): 3 out of 3 assignments used, quality = 0.89: QE TYR 55 + HA PRO 34 OK 76 100 - 76 - 5291/2.3=20, 4664/3.8=19...(14) HE22 GLN 61 + HA PRO 34 OK 51 85 - 60 - 4655/3.6=20, 4206/4.8=14...(10) QE TYR 81 + HA PRO 34 OK 13 71 - 18 - 5291/2.3=5, 5933/3.8=3...(5) Peak 5564 from cnoeabs.peaks (6.32, 1.04, 26.58 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.95: H PHE 35 + HG3 PRO 34 OK 95 100 - 95 - 110/2.3=37, 4.5/4243=35...(18) Peak 5565 from cnoeabs.peaks (7.34, 1.04, 26.58 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.96: QD TYR 55 + HG3 PRO 34 OK 96 100 - 96 - 4246/1.8=42, ~4859=22...(28) Peak 5566 from cnoeabs.peaks (3.89, 1.04, 26.58 ppm; 5.16 A): 3 out of 5 assignments used, quality = 0.99: HA ILE 33 + HG3 PRO 34 OK 96 99 - 97 - 4216/2.3=41, 4217/2.3=35...(30) HD2 PRO 36 + HG3 PRO 34 OK 68 76 - 89 - 4.8/5564=24, 1.8/1734=17...(32) HA LEU 51 + HG3 PRO 34 OK 46 100 - 46 - 4862/1.8=11...(14) HB3 SER 22 - HG3 PRO 34 OK 25 100 - 25 - 4862/1.8=5, 5497/2.3=4...(9) HA LEU 62 - HG3 PRO 34 poor 8 60 - 13 - 4862/1.8=3, 6070/5352=1, ~719=1 Peak 5567 from cnoeabs.peaks (2.94, 1.04, 26.58 ppm; 5.30 A): 2 out of 10 assignments used, quality = 0.97: HB3 TYR 55 + HG3 PRO 34 OK 92 100 - 92 - 2.5/5565=40, ~4246=32...(18) HB3 PHE 35 + HG3 PRO 34 OK 58 60 - 97 - 2.6/4243=44, ~4242=31...(24) HE2 LYS 32 - HG3 PRO 34 OK 30 93 - 33 - 4863/1.8=5, ~4863=4...(7) HE3 LYS 32 - HG3 PRO 34 OK 30 92 - 33 - 4863/1.8=5, ~4863=4...(7) HE3 LYS 73 - HG3 PRO 34 OK 11 95 - 12 - 4863/1.8=2, ~4863=2 HE2 LYS 73 - HG3 PRO 34 OK 11 93 - 12 - 4863/1.8=2, ~4863=2 HE3 LYS 75 - HG3 PRO 34 lone 6 81 - 7 - 4863/1.8=1 HE2 LYS 75 - HG3 PRO 34 lone 6 78 - 7 - 4863/1.8=1 HE3 LYS 13 - HG3 PRO 34 lone 4 65 - 5 - HE2 LYS 13 - HG3 PRO 34 lone 3 63 - 5 - Peak 5568 from cnoeabs.peaks (2.72, 1.78, 30.55 ppm; 5.19 A): 1 out of 18 assignments used, quality = 1.00: HD2 PRO 34 + HB2 PRO 34 OK 100 100 - 100 - 3.0=100 HB2 ASN 80 - HB2 PRO 34 OK 40 87 - 46 - 1733/2.3=9, 1726/2.3=9...(12) HD2 PRO 34 - HB2 LYS 32 OK 39 64 - 61 - 4.8/97=6, 1.8/1713=6...(28) HD2 PRO 34 - HB3 LYS 32 OK 39 64 - 61 - 4.8/97=6, 1.8/1713=6...(28) HD2 PRO 34 - HB2 ARG 54 OK 18 51 - 35 - ~2317=3, 3.8/1646=3...(15) HB2 ASP 46 - HB2 PRO 34 OK 17 78 - 21 - 1733/2.3=4, 1705/2.3=4...(6) HD2 PRO 34 - HB3 ARG 82 OK 16 91 - 17 - 1.8/1713=2, 2.3/1711=2...(6) HD2 PRO 34 - HB3 ARG 84 lone 5 70 - 7 - HB2 ASN 80 - HB3 ARG 82 lone 5 74 - 7 - 3.0/6053=2, 4.4/6123=2 HB2 ASN 80 - HB2 ARG 54 lone 3 39 - 7 - 4.4/6123=2, 5872/4.1=1 HB2 ASN 80 - HB3 LYS 32 lone 2 50 - 5 - HB2 ASN 80 - HB2 LYS 32 lone 2 50 - 5 - HB2 ASP 46 - HB2 ARG 54 lone 2 34 - 6 - 3839/4.7=4 HB2 ASN 80 - HB3 ARG 84 lone 2 54 - 3 - HB2 ASP 46 - HB3 ARG 82 lone 1 65 - 2 - HB2 ASP 46 - HB2 LYS 32 lone 1 44 - 3 - HB2 ASP 46 - HB3 LYS 32 lone 1 44 - 3 - HB2 ASP 46 - HB3 ARG 84 lone 1 48 - 3 - Peak 5569 from cnoeabs.peaks (3.87, 2.85, 38.77 ppm; 4.14 A): 2 out of 8 assignments used, quality = 0.99: HD2 PRO 36 + HB2 PHE 35 OK 98 100 - 98 - 4.8=65, 4263/3.0=39...(19) HA ILE 33 + HB2 PHE 35 OK 62 90 - 68 - ~4567=16, ~4208=14...(12) HA LEU 51 - HB2 PHE 35 OK 39 83 - 47 - 4.0/5575=14, 4.0/5574=13...(9) HA LEU 51 - HB3 PHE 48 OK 20 44 - 47 - ~5139=11, 4.0/4516=9...(10) HD2 PRO 36 - HB3 PHE 48 OK 14 61 - 24 - 4260=5, 3.8/1742=5...(8) HB3 SER 22 - HB2 PHE 35 lone 7 81 - 9 - 4599/2.6=2, 4258/1.8=2 HB3 SER 22 - HB3 PHE 48 lone 4 42 - 9 - ~4547=2, ~2156=1, ~2144=1 HA ILE 33 - HB3 PHE 48 lone 3 49 - 7 - 4852/4305=1 Peak 5570 from cnoeabs.peaks (3.57, 2.85, 38.77 ppm; 3.92 A): 2 out of 6 assignments used, quality = 0.99: HD3 PRO 36 + HB2 PHE 35 OK 97 100 - 97 - 4.8=55, 1.8/4260=29...(20) HD3 PRO 34 + HB2 PHE 35 OK 62 73 - 84 - ~4243=16, ~4242=15...(21) HD3 PRO 36 - HB3 PHE 48 OK 13 61 - 21 - 4874=5, 1.8/4260=4...(8) HA VAL 41 - HB2 PHE 35 lone 6 93 - 7 - 1765/4.8=3, 4257/1.8=1 HD3 PRO 34 - HB3 PHE 48 poor 4 37 - 12 - ~4651=2, ~4473=2...(5) HA VAL 41 - HB3 PHE 48 lone 3 52 - 5 - ~4623=1 Peak 5571 from cnoeabs.peaks (2.08, 2.85, 38.77 ppm; 5.11 A): 3 out of 22 assignments used, quality = 1.00: HG2 PRO 36 + HB2 PHE 35 OK 95 96 - 99 - 2.3/4260=36, ~4263=31...(23) HG3 PRO 36 + HB2 PHE 35 OK 92 93 - 99 - 2.3/4260=36, ~4263=31...(23) HB VAL 45 + HB3 PHE 48 OK 45 49 - 92 - ~4407=32, ~4409=28...(18) HB3 PRO 44 - HB3 PHE 48 OK 42 57 - 73 - 5131/4.0=16, 2077/3.0=11...(18) HB3 PRO 44 - HB2 PHE 35 OK 27 98 - 28 - 1762/4.8=6, 1769/4.8=5...(6) HB2 PRO 56 - HB2 PHE 35 OK 23 99 - 23 - 5572/1.8=3, 1762/4.8=3...(11) HG3 PRO 56 - HB2 PHE 35 OK 22 98 - 22 - 5572/1.8=3, 5573/3.0=2...(10) HB VAL 45 - HB2 PHE 35 OK 12 90 - 13 - ~4408=2, ~4412=2...(7) HG2 PRO 36 - HB3 PHE 48 OK 10 54 - 19 - 2.3/4260=5, 2.3/4874=5...(6) HG3 PRO 56 - HB3 PHE 48 poor 10 57 - 17 - ~4455=4, ~5665=3, 4872=2...(6) HG3 PRO 36 - HB3 PHE 48 poor 10 52 - 19 - 2.3/4260=5, 2.3/4874=5...(6) HB2 PRO 56 - HB3 PHE 48 poor 10 58 - 16 - ~4455=4, ~5665=3...(6) HB2 GLU 59 - HB2 PHE 35 lone 8 97 - 8 - 5572/1.8=1 HB3 GLU 59 - HB2 PHE 35 lone 8 97 - 8 - 5572/1.8=1 HB3 MET 31 - HB2 PHE 35 lone 6 97 - 6 - 4650/2.6=2 HB3 GLU 59 - HB3 PHE 48 lone 4 56 - 8 - ~2156=1, ~2144=1 HB2 GLU 59 - HB3 PHE 48 lone 4 56 - 8 - ~2156=1, ~2144=1 HB3 MET 31 - HB3 PHE 48 lone 3 55 - 6 - 5131/4.0=1 HB3 GLU 25 - HB2 PHE 35 lone 1 65 - 2 - HB2 GLU 25 - HB2 PHE 35 lone 1 63 - 2 - HB3 GLU 25 - HB3 PHE 48 lone 1 33 - 3 - HB2 GLU 25 - HB3 PHE 48 lone 1 31 - 3 - Peak 5572 from cnoeabs.peaks (2.09, 2.91, 38.77 ppm; 4.91 A): 2 out of 9 assignments used, quality = 1.00: HG2 PRO 36 + HB3 PHE 35 OK 98 99 - 99 - 2.3/5577=32, ~4263=29...(23) HG3 PRO 36 + HB3 PHE 35 OK 97 98 - 99 - 2.3/5577=32, ~4263=29...(23) HB3 PRO 44 - HB3 PHE 35 OK 26 100 - 26 - 1762/4.8=6, 1769/4.8=6...(6) HB2 PRO 56 - HB3 PHE 35 OK 22 100 - 22 - 1762/4.8=3, 1769/4.8=2...(12) HG3 PRO 56 - HB3 PHE 35 OK 20 100 - 20 - 1762/4.8=2, 5573/3.0=2...(10) HB VAL 45 - HB3 PHE 35 poor 10 81 - 12 - 2.1/4408=2, 2.1/4412=2...(5) HB2 GLU 59 - HB3 PHE 35 lone 7 100 - 7 - HB3 GLU 59 - HB3 PHE 35 lone 7 100 - 7 - HB3 MET 31 - HB3 PHE 35 lone 6 90 - 6 - 4650/2.6=2 Peak 5573 from cnoeabs.peaks (2.08, 4.99, 52.48 ppm; 4.02 A): 2 out of 11 assignments used, quality = 0.99: HG2 PRO 36 + HA PHE 35 OK 90 96 - 94 - 2.3/4263=43, 2.3/4264=31...(21) HG3 PRO 36 + HA PHE 35 OK 88 93 - 94 - 2.3/4263=43, 2.3/4264=31...(21) HB3 PRO 44 - HA PHE 35 OK 23 98 - 23 - 1762/3.8=5, 1769/3.8=5...(8) HB2 PRO 56 - HA PHE 35 OK 15 99 - 15 - 1762/3.8=2, 1769/3.8=2...(7) HG3 PRO 56 - HA PHE 35 OK 15 98 - 15 - 4265=3, 1762/3.8=2...(8) HB VAL 45 - HA PHE 35 lone 6 90 - 6 - HB2 GLU 59 - HA PHE 35 lone 4 97 - 4 - HB3 GLU 59 - HA PHE 35 lone 4 97 - 4 - HB3 MET 31 - HA PHE 35 lone 3 97 - 3 - HB3 GLU 25 - HA PHE 35 lone 1 65 - 1 - HB2 GLU 25 - HA PHE 35 lone 1 63 - 1 - Peak 5574 from cnoeabs.peaks (0.63, 2.85, 38.77 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 51 + HB2 PHE 35 OK 98 100 - 98 - 4534/2.6=43, 5353/1.8=35...(19) QD1 LEU 51 + HB3 PHE 48 OK 55 61 - 91 - 4469/3.0=29, ~4625=26...(21) Peak 5575 from cnoeabs.peaks (0.17, 2.85, 38.77 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.89: QD2 LEU 51 + HB2 PHE 35 OK 81 85 - 96 - 4568/2.6=44, 4584/4.5=29...(19) QD2 LEU 51 + HB3 PHE 48 OK 41 45 - 91 - 4470/3.0=29, 4625/2.5=28...(20) Peak 5577 from cnoeabs.peaks (2.92, 3.87, 50.78 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.95: HB3 PHE 35 + HD2 PRO 36 OK 95 98 - 97 - 4.8=55, 3.0/4263=36...(23) HB3 TYR 55 - HD2 PRO 36 OK 19 83 - 23 - 5716/5578=6, 2.5/4632=5...(7) HB2 ASP 67 - HD2 PRO 36 OK 16 78 - 20 - 1.8/4260=6, 1738/3.8=5...(6) HB2 ASN 49 - HD2 PRO 36 lone 3 78 - 4 - 1738/3.8=1 Peak 5578 from cnoeabs.peaks (6.66, 3.87, 50.78 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 35 + HD2 PRO 36 OK 93 96 - 97 - 3.7/4263=42, 2.6/4260=34...(30) Peak 5579 from cnoeabs.peaks (6.66, 3.57, 50.78 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 35 + HD3 PRO 36 OK 97 99 - 97 - 5578/1.8=39, 3.7/4264=31...(23) QD PHE 35 - HD3 PRO 34 OK 43 44 - 98 - 4243/2.3=41, 4242/2.3=35...(27) Peak 5580 from cnoeabs.peaks (6.31, 3.87, 50.78 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: H PHE 35 + HD2 PRO 36 OK 100 100 - 100 - 4.8=100 Peak 5581 from cnoeabs.peaks (6.31, 3.57, 50.78 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: H PHE 35 + HD3 PRO 36 OK 100 100 - 100 - 4.8=100 H PHE 35 - HD3 PRO 34 OK 44 45 - 98 - 4248/4.1=45, 110/1.8=39...(15) Peak 5583 from cnoeabs.peaks (4.99, 2.45, 32.41 ppm; 5.37 A): 1 out of 2 assignments used, quality = 0.96: HA PHE 35 + HB3 PRO 36 OK 96 100 - 96 - 4263/3.0=49, 4264/3.0=37...(17) HA PHE 35 - HB2 PRO 44 OK 20 55 - 37 - 3.8/1761=11, 4.8/1775=10...(8) Peak 5584 from cnoeabs.peaks (1.79, 2.45, 32.41 ppm; 5.16 A): 3 out of 34 assignments used, quality = 0.97: HB3 LYS 39 + HB3 PRO 36 OK 80 96 - 84 - 4.0/4881=25, ~5208=14...(22) HB2 PRO 34 + HB3 PRO 36 OK 74 92 - 81 - 4877/1.8=12, ~1734=10...(28) HB ILE 33 + HB3 PRO 36 OK 48 68 - 71 - ~1659=9, ~4226=8...(20) HB2 ARG 69 - HB3 PRO 36 OK 35 99 - 35 - ~5253=7, 4877/1.8=5...(10) HB2 LYS 13 - HB2 PRO 44 OK 32 55 - 58 - ~4398=9, ~5648=9...(18) HB3 LYS 75 - HB3 PRO 36 OK 21 99 - 22 - 4877/1.8=3, 2.7/5586=3...(10) HB2 LEU 57 - HB3 PRO 36 OK 16 63 - 26 - 4618/4.0=7, ~4605=6...(5) HB2 ARG 54 - HB3 PRO 36 OK 12 60 - 20 - ~4569=3, ~4261=2...(10) HB3 LYS 73 - HB3 PRO 36 poor 9 89 - 10 - 4877/1.8=1, 2.9/5586=1, ~4876=1 HB3 LYS 39 - HB2 PRO 44 poor 9 50 - 17 - 4.0/4881=3, ~4893=2...(7) HB2 LYS 85 - HB3 PRO 36 lone 7 99 - 7 - HB2 LYS 13 - HB3 PRO 36 lone 6 100 - 6 - 4877/1.8=1 HB2 LYS 73 - HB3 PRO 36 lone 6 63 - 9 - 2.9/5586=1, ~4876=1, ~4877=1 HB2 LYS 85 - HB2 PRO 44 poor 6 54 - 10 - ~4924=2, ~4925=2...(4) HB2 LYS 32 - HB3 PRO 36 lone 5 81 - 6 - HB3 LYS 32 - HB3 PRO 36 lone 5 81 - 6 - HB2 LYS 83 - HB3 PRO 36 lone 5 95 - 5 - HB2 ARG 69 - HB2 PRO 44 lone 4 54 - 7 - HB3 ARG 84 - HB3 PRO 36 lone 3 99 - 3 - HB ILE 89 - HB2 PRO 44 poor 3 27 - 13 - ~4405=3, ~4402=3...(4) HB ILE 33 - HB2 PRO 44 poor 3 32 - 11 - ~4224=3, ~4403=1...(4) HB2 LEU 57 - HB2 PRO 44 lone 3 29 - 9 - ~5954=3, ~4846=1 HB2 PRO 34 - HB2 PRO 44 lone 2 47 - 5 - 4877/1782=1 HB3 LYS 75 - HB2 PRO 44 lone 2 54 - 4 - HB2 LYS 83 - HB2 PRO 44 lone 2 49 - 4 - HB3 ARG 84 - HB2 PRO 44 lone 2 54 - 3 - HB ILE 89 - HB3 PRO 36 lone 2 60 - 3 - HB3 ARG 82 - HB3 PRO 36 lone 1 60 - 2 - HB3 LYS 73 - HB2 PRO 44 lone 1 44 - 3 - HB2 ARG 54 - HB2 PRO 44 lone 1 27 - 4 - 4.7/4392=1 HB2 LYS 32 - HB2 PRO 44 lone 1 39 - 2 - HB3 LYS 32 - HB2 PRO 44 lone 1 39 - 2 - HB2 LYS 73 - HB2 PRO 44 lone 1 29 - 3 - HB3 ARG 82 - HB2 PRO 44 lone 1 27 - 2 - Peak 5585 from cnoeabs.peaks (1.56, 2.45, 32.41 ppm; 5.38 A): 3 out of 22 assignments used, quality = 0.98: HG2 LYS 39 + HB3 PRO 36 OK 88 97 - 91 - 5208/3.0=25, 4.9/4881=24...(25) HD3 LYS 39 + HB3 PRO 36 OK 64 76 - 85 - 6.2/4881=18, ~5208=15...(24) HD2 LYS 39 + HB3 PRO 36 OK 62 73 - 85 - 6.2/4881=18, ~5208=15...(24) HG LEU 62 - HB3 PRO 36 OK 25 99 - 26 - 2585/4.0=9, 5.0/3796=5...(8) HB3 ARG 54 - HB3 PRO 36 OK 25 97 - 26 - 4569/3.0=4, 4875/1.8=3...(13) HG3 ARG 54 - HB3 PRO 36 OK 24 89 - 27 - 4261/3.0=3, 4875/1.8=3...(12) HG LEU 62 - HB2 PRO 44 OK 16 54 - 30 - ~4679=5, ~4401=4...(11) HG LEU 64 - HB2 PRO 44 OK 14 42 - 34 - ~4405=5, ~5643=4...(11) HB3 LEU 62 - HB3 PRO 36 OK 13 60 - 22 - 4.0/3796=6, 2578/4.0=5...(6) HG2 LYS 39 - HB2 PRO 44 OK 10 51 - 20 - 4.9/4881=3, 4893/1.8=3...(8) HB3 LEU 29 - HB2 PRO 44 poor 8 39 - 21 - ~4924=4, ~4925=3...(9) HG LEU 64 - HB3 PRO 36 lone 8 85 - 9 - 595/4881=3, 2585/4.0=1 HB3 LEU 62 - HB2 PRO 44 poor 8 27 - 28 - ~4678=4, ~4679=4...(13) HB3 LEU 86 - HB3 PRO 36 lone 7 100 - 7 - HD3 LYS 39 - HB2 PRO 44 poor 5 36 - 15 - 6.2/4881=2, ~4893=2...(5) HD2 LYS 39 - HB2 PRO 44 poor 5 34 - 15 - 6.2/4881=2, ~4893=2...(4) HG3 ARG 23 - HB3 PRO 36 lone 4 87 - 5 - HB3 LEU 86 - HB2 PRO 44 lone 4 56 - 7 - ~4405=1, ~4402=1 HB3 LEU 29 - HB3 PRO 36 lone 4 81 - 5 - HB3 ARG 54 - HB2 PRO 44 lone 3 51 - 5 - 4.7/4392=1 HG3 ARG 54 - HB2 PRO 44 lone 2 44 - 5 - 4.0/4392=2 HG3 ARG 23 - HB2 PRO 44 lone 1 43 - 2 - Peak 5586 from cnoeabs.peaks (1.39, 2.45, 32.41 ppm; 5.71 A): 3 out of 24 assignments used, quality = 0.95: HG3 LYS 39 + HB3 PRO 36 OK 86 93 - 92 - 4.9/4881=26, ~5208=21...(24) HG3 ARG 69 + HB3 PRO 36 OK 42 93 - 45 - 5253/3.0=13, ~5254=8...(13) HB3 ARG 69 + HB3 PRO 36 OK 40 100 - 40 - ~5253=9, 4876/1.8=6...(11) HG3 LYS 75 - HB3 PRO 36 OK 27 100 - 28 - 4876/1.8=4, ~4876=3...(12) HG2 LYS 75 - HB3 PRO 36 OK 27 100 - 28 - 4876/1.8=4, ~4876=3...(12) HG3 LYS 73 - HB3 PRO 36 OK 12 100 - 12 - 4876/1.8=2 HG3 LYS 39 - HB2 PRO 44 poor 10 48 - 21 - 4.9/4881=4, 4894/1.8=3...(7) HG2 LYS 85 - HB3 PRO 36 lone 7 95 - 7 - HG2 LYS 85 - HB2 PRO 44 poor 6 49 - 12 - ~4924=2, ~4400=2...(4) QB ALA 77 - HB3 PRO 36 lone 6 92 - 6 - 16041/1787=1 QB ALA 53 - HB3 PRO 36 lone 5 100 - 5 - HG3 ARG 69 - HB2 PRO 44 lone 4 48 - 9 - 5253/1768=1 HB3 ARG 69 - HB2 PRO 44 lone 4 56 - 8 - HG2 LYS 83 - HB3 PRO 36 lone 4 78 - 5 - QB ALA 78 - HB3 PRO 36 lone 4 100 - 4 - QB ALA 20 - HB3 PRO 36 lone 3 95 - 4 - HG2 LYS 75 - HB2 PRO 44 lone 3 56 - 5 - HG3 LYS 75 - HB2 PRO 44 lone 3 56 - 5 - QB ALA 53 - HB2 PRO 44 lone 2 56 - 4 - HG3 LYS 73 - HB2 PRO 44 lone 2 56 - 3 - HG2 LYS 83 - HB2 PRO 44 lone 2 37 - 4 - QB ALA 78 - HB2 PRO 44 lone 1 56 - 3 - QB ALA 77 - HB2 PRO 44 lone 1 47 - 3 - QB ALA 20 - HB2 PRO 44 lone 1 49 - 3 - Peak 5588 from cnoeabs.peaks (7.61, 3.94, 64.91 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.77: H VAL 41 + HA THR 37 OK 61 87 - 70 - 4.7/4266=23, 4905=14...(15) HD21 ASN 42 + HA THR 37 OK 31 89 - 36 - 5590/3.6=10, 1.7/4268=6...(11) HD21 ASN 74 + HA THR 37 OK 13 100 - 13 - 4.4/4886=3, 5590/3.6=2...(5) Peak 5592 from cnoeabs.peaks (7.25, 4.28, 56.69 ppm; 5.22 A): 3 out of 3 assignments used, quality = 0.78: H ILE 40 + HA ASP 38 OK 71 97 - 73 - 127/3.6=35, 4888/3.0=28...(12) HE ARG 54 + HA ASP 38 OK 12 96 - 12 - 4888/3.0=4, 914/3.6=4 H ASP 47 + HA ASP 38 OK 12 92 - 13 - 4888/3.0=5, 914/3.6=2 Peak 5595 from cnoeabs.peaks (1.23, 6.65, 132.93 ppm; 5.84 A): 4 out of 5 assignments used, quality = 1.00: HG13 ILE 40 + QD PHE 35 OK 98 99 - 99 - 4320=50, 2.1/4318=50...(27) HG13 ILE 33 + QD PHE 35 OK 92 96 - 96 - 3.2/4567=47, 2.1/5551=37...(25) QG1 VAL 65 + QD PHE 35 OK 90 98 - 92 - 5031=49, 4728/6096=17...(22) QG2 VAL 65 + QD PHE 35 OK 77 88 - 88 - 2.1/5031=46, 4717/2.2=17...(21) HG2 ARG 69 - QD PHE 35 OK 34 93 - 36 - ~5978=6, 5982/2.2=5...(13) Peak 5597 from cnoeabs.peaks (0.31, 3.94, 64.91 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.80: QG2 ILE 33 + HA THR 37 OK 80 100 - 80 - 4285/3.2=43...(15) Peak 5600 from cnoeabs.peaks (3.62, 1.17, 22.48 ppm; 5.05 A): 4 out of 4 assignments used, quality = 0.84: HA ILE 40 + QG2 THR 37 OK 69 93 - 74 - ~4266=16, 3.2/4885=11...(18) HA VAL 65 + QG2 THR 37 OK 24 96 - 25 - 4706/4754=4, 4706/4757=4...(8) HD3 PRO 14 + QG2 THR 37 OK 20 100 - 20 - 3.0/4275=7, 3.0/4277=3...(7) HA ARG 69 + QG2 THR 37 OK 15 97 - 15 - 4767/4754=5, 4761/4757=3...(4) Peak 5602 from cnoeabs.peaks (7.11, 1.17, 22.48 ppm; 6.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5603 from cnoeabs.peaks (7.39, 3.94, 64.91 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.89: H LYS 39 + HA THR 37 OK 86 100 - 86 - 123/3.6=44, 5605=29...(12) H LEU 64 + HA THR 37 OK 22 63 - 35 - 5589/3.0=8, 4.7/255=6...(8) Peak 5608 from cnoeabs.peaks (6.66, 3.63, 64.52 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 35 + HA ILE 40 OK 93 98 - 95 - 5609/3.0=37, 4318/4.1=36...(18) Peak 5610 from cnoeabs.peaks (7.52, 3.63, 64.52 ppm; 5.14 A): 3 out of 4 assignments used, quality = 0.86: H LEU 43 + HA ILE 40 OK 67 100 - 67 - 4372=22, 5631/3.6=18...(12) H LEU 51 + HA ILE 40 OK 38 97 - 39 - 4943/3.0=12, 4.5/5680=11...(6) H ARG 54 + HA ILE 40 OK 30 97 - 30 - 207/3.0=11, 5631/3.6=8...(6) HD21 ASN 80 - HA ILE 40 poor 8 71 - 11 - 6020/3.2=3, 5631/3.6=2, ~6022=2 Peak 5612 from cnoeabs.peaks (7.15, 2.12, 38.15 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 48 + HB ILE 40 OK 99 100 - 99 - 4323/2.1=45, 5120/3.0=41...(34) Peak 5613 from cnoeabs.peaks (7.05, 2.12, 38.15 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.95: QD PHE 48 + HB ILE 40 OK 93 95 - 98 - 2.2/5612=38, ~4323=35...(21) QD TYR 81 + HB ILE 40 OK 26 73 - 36 - 5128/2.1=9, 5619/3.2=9...(7) Peak 5614 from cnoeabs.peaks (6.95, 2.12, 38.15 ppm; 5.47 A): 4 out of 4 assignments used, quality = 1.00: QE PHE 35 + HB ILE 40 OK 99 100 - 99 - 2.2/5615=39, ~4318=29...(36) HZ PHE 48 + HB ILE 40 OK 98 100 - 98 - 2.2/5612=43, ~4323=39...(21) HZ PHE 35 + HB ILE 40 OK 89 100 - 89 - 3.8/5615=31, ~4577=18...(23) HD22 ASN 42 + HB ILE 40 OK 81 98 - 83 - 1.7/3815=17, ~3816=14...(18) Peak 5615 from cnoeabs.peaks (6.65, 2.12, 38.15 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 35 + HB ILE 40 OK 98 100 - 98 - 4318/3.2=42, 4320/2.9=39...(27) Peak 5616 from cnoeabs.peaks (8.42, 0.93, 18.82 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.81: H ILE 68 + QG2 ILE 40 OK 71 93 - 76 - 5622/3.0=14, 4.0/4298=12...(21) H GLY 18 + QG2 ILE 40 OK 19 83 - 23 - 3.0/4310=5, 3.0/4310=5...(7) H GLU 87 + QG2 ILE 40 OK 16 100 - 16 - 5622/3.0=4, 868/3.2=2...(4) H ALA 20 - QG2 ILE 40 poor 8 60 - 13 - 5622/3.0=2, 3.6/5212=1...(5) Peak 5617 from cnoeabs.peaks (7.14, 1.90, 28.19 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 48 + HG12 ILE 40 OK 96 97 - 99 - 4323/3.2=43, 4316/2.1=40...(30) Peak 5618 from cnoeabs.peaks (7.06, 1.90, 28.19 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 48 + HG12 ILE 40 OK 97 98 - 99 - 2.2/5617=43, ~4316=34...(22) QD TYR 81 - HG12 ILE 40 OK 35 83 - 42 - 5619/2.1=12, 5128/3.2=9...(8) Peak 5619 from cnoeabs.peaks (7.06, 1.03, 14.27 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.96: QD PHE 48 + QD1 ILE 40 OK 96 98 - 98 - 2.2/4316=42, 5128/3.0=30...(24) QD TYR 81 - QD1 ILE 40 OK 35 83 - 42 - 5618/2.1=9, 5128/3.0=8...(9) Peak 5620 from cnoeabs.peaks (7.14, 1.23, 28.19 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 48 + HG13 ILE 40 OK 96 97 - 99 - 4323/3.2=43, 5617/1.8=41...(30) Peak 5621 from cnoeabs.peaks (7.62, 1.23, 28.19 ppm; 5.67 A): 2 out of 3 assignments used, quality = 0.99: H VAL 41 + HG13 ILE 40 OK 93 100 - 93 - 143/2.1=31, 137/4.6=28...(21) HD21 ASN 42 + HG13 ILE 40 OK 83 100 - 83 - 3817/1.8=17, 3815/2.9=17...(17) HD21 ASN 74 - HG13 ILE 40 OK 36 96 - 37 - 3817/1.8=7, 4900/2.1=7...(7) Peak 5622 from cnoeabs.peaks (8.42, 1.03, 14.27 ppm; 5.76 A): 4 out of 4 assignments used, quality = 0.93: H ILE 68 + QD1 ILE 40 OK 87 93 - 93 - 4.0/5249=36, 5.0/5247=30...(21) H GLY 18 + QD1 ILE 40 OK 25 83 - 30 - 5616/3.0=7, 3.0/4313=4...(8) H GLU 87 + QD1 ILE 40 OK 24 100 - 24 - 5616/3.0=6, 2756/5249=3...(7) H ALA 20 + QD1 ILE 40 OK 12 60 - 20 - 5616/3.0=3, 2756/5249=3...(7) Peak 5625 from cnoeabs.peaks (4.18, 0.94, 22.13 ppm; 5.10 A): 5 out of 8 assignments used, quality = 0.82: HA LYS 73 + QG2 VAL 41 OK 64 100 - 64 - 5626/2.1=21, ~5264=10...(17) HA ALA 53 + QG2 VAL 41 OK 19 95 - 20 - 5626/2.1=5, ~5627=5...(6) HA LEU 29 + QG2 VAL 41 OK 16 90 - 17 - 5626/2.1=5, 5526/4.1=3 HA ILE 89 + QG2 VAL 41 OK 15 99 - 15 - 5626/2.1=5, ~3610=2...(5) HA ARG 84 + QG2 VAL 41 OK 14 99 - 14 - 5626/2.1=4, ~5909=1...(5) HB THR 15 - QG2 VAL 41 lone 8 98 - 8 - 5626/2.1=2, 3.0/4337=1 HA ARG 82 - QG2 VAL 41 lone 5 100 - 5 - 5626/2.1=2 HA GLN 79 - QG2 VAL 41 lone 4 81 - 4 - Peak 5626 from cnoeabs.peaks (4.17, 0.80, 21.38 ppm; 4.45 A): 5 out of 8 assignments used, quality = 0.83: HA LYS 73 + QG1 VAL 41 OK 67 100 - 67 - 3.8/4904=16, 5625/2.1=13...(19) HA ILE 89 + QG1 VAL 41 OK 17 100 - 17 - 3603=4, 5625/2.1=3...(6) HA LEU 29 + QG1 VAL 41 OK 16 96 - 17 - 5625/2.1=3, 4.9/5302=3...(5) HA ALA 53 + QG1 VAL 41 OK 16 98 - 16 - 5625/2.1=4, ~5627=4...(6) HA ARG 84 + QG1 VAL 41 OK 12 96 - 12 - 5625/2.1=3, 5403=2, 3.0/5909=1 HB THR 15 - QG1 VAL 41 lone 6 100 - 6 - 5625/2.1=2 HA ARG 82 - QG1 VAL 41 lone 5 100 - 5 - 5625/2.1=1 HA GLN 79 - QG1 VAL 41 lone 2 71 - 3 - Peak 5627 from cnoeabs.peaks (7.23, 1.93, 32.20 ppm; 5.33 A): 2 out of 2 assignments used, quality = 0.86: H ILE 40 + HB VAL 41 OK 82 99 - 83 - 137/3.9=29, 4330/2.1=23...(18) H ALA 53 + HB VAL 41 OK 21 92 - 23 - 137/3.9=5, 4559/4.4=4...(7) Peak 5628 from cnoeabs.peaks (6.94, 1.93, 32.20 ppm; 5.41 A): 3 out of 4 assignments used, quality = 0.97: HD22 ASN 42 + HB VAL 41 OK 90 100 - 90 - 4367/2.1=26, 5088/4.4=24...(17) QE PHE 35 + HB VAL 41 OK 47 99 - 47 - 4329/2.1=9, 4688=7...(11) HZ PHE 35 + HB VAL 41 OK 43 99 - 44 - 4329/2.1=8, 2.2/4688=7...(9) HZ PHE 48 - HB VAL 41 OK 27 97 - 28 - 4329/2.1=7, 4331/2.1=4...(7) Peak 5629 from cnoeabs.peaks (7.97, 3.58, 65.23 ppm; 5.34 A): 3 out of 8 assignments used, quality = 0.96: H ARG 69 + HA VAL 41 OK 80 98 - 81 - 4.7/5253=21, 4.7/5254=15...(19) H GLY 72 + HA VAL 41 OK 71 89 - 80 - ~4335=25, ~4338=25...(17) H LYS 73 + HA VAL 41 OK 36 76 - 48 - 5264/3.2=11, ~5626=11...(8) H VAL 76 - HA VAL 41 OK 29 93 - 31 - 815/3.2=3, 4.9/4341=2...(14) H ALA 63 - HA VAL 41 OK 27 100 - 27 - ~4904=6, 259/3.2=5...(7) H ARG 70 - HA VAL 41 OK 24 81 - 30 - 4.3/4341=9, 5831/3.2=5...(6) H ALA 30 - HA VAL 41 OK 19 98 - 19 - 4.5/3820=6, 909/3.6=5...(4) H LEU 29 - HA VAL 41 OK 13 78 - 17 - 5525/3.6=5, ~5626=3...(4) Peak 5630 from cnoeabs.peaks (7.52, 3.58, 65.23 ppm; 5.70 A): 3 out of 4 assignments used, quality = 0.76: H LEU 43 + HA VAL 41 OK 53 100 - 54 - 149/3.6=29, 5631/3.0=22...(6) H LEU 51 + HA VAL 41 OK 33 92 - 36 - 917/3.6=14, 5631/3.0=12...(5) H ARG 54 + HA VAL 41 OK 22 93 - 24 - 5631/3.0=9, 917/3.6=7...(4) HD21 ASN 80 - HA VAL 41 poor 8 60 - 13 - 5631/3.0=3, 6020/3.2=3...(4) Peak 5634 from cnoeabs.peaks (4.49, 2.76, 39.67 ppm; 5.03 A): 0 out of 6 assignments used, low quality = 0.00: HA ASP 46 - HB3 ASN 42 lone 2 100 - 2 - HA ASP 46 - HB2 ASN 42 lone 2 100 - 2 - HA ASP 67 - HB2 ASN 42 lone 2 89 - 2 - HA ASP 67 - HB3 ASN 42 lone 2 88 - 2 - HA ASP 24 - HB2 ASN 42 lone 2 99 - 2 - HA ASP 24 - HB3 ASN 42 lone 2 99 - 2 - Peak 5637 from cnoeabs.peaks (8.77, 0.83, 26.57 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.98: H PHE 48 + QD1 LEU 43 OK 97 100 - 97 - 5638/2.1=26, 4368/3.1=25...(24) H ASP 46 + QD1 LEU 43 OK 54 100 - 54 - 5638/2.1=15, 4369/3.1=13...(12) Peak 5638 from cnoeabs.peaks (8.77, 0.94, 22.80 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.97: H PHE 48 + QD2 LEU 43 OK 94 99 - 95 - 4.3/4907=24, 5637/2.1=23...(24) H ASP 46 + QD2 LEU 43 OK 53 100 - 53 - 5637/2.1=13, 4.6/4918=13...(13) Peak 5639 from cnoeabs.peaks (7.08, 1.44, 42.41 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 48 + HB3 LEU 43 OK 93 97 - 95 - 4370/3.1=30, 4921/1.8=27...(20) QD TYR 81 + HB3 LEU 43 OK 52 100 - 52 - 4919/3.1=14, 4921/1.8=14...(12) Peak 5641 from cnoeabs.peaks (0.19, 1.99, 26.77 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.84: QD2 LEU 51 + HG LEU 43 OK 79 100 - 79 - 4917/2.1=48, 4916/2.1=39...(11) QD2 LEU 51 + HG3 PRO 14 OK 12 62 - 20 - 5680/2.3=5, 4917/2034=3...(4) QD2 LEU 51 + HG2 PRO 14 OK 12 62 - 20 - 5680/2.3=5, 4917/2034=3...(4) Peak 5642 from cnoeabs.peaks (0.95, 2.14, 27.95 ppm; 5.18 A): 2 out of 8 assignments used, quality = 0.95: QD2 LEU 43 + HG3 PRO 44 OK 89 100 - 89 - 4388/2.3=28, 4.1/5648=21...(20) QG2 ILE 40 + HG3 PRO 44 OK 57 89 - 65 - 4401/2.3=8, 4.0/4395=8...(19) QD1 LEU 64 - HG3 PRO 44 OK 38 99 - 38 - ~4405=5, 5643/1.8=5...(11) QG2 VAL 41 - HG3 PRO 44 OK 29 96 - 31 - 4349/2.3=4, 4401/2.3=4...(11) QD2 LEU 62 - HG3 PRO 44 OK 26 89 - 29 - 4679/2.3=6, 4404/2.3=4...(11) HG12 ILE 68 - HG3 PRO 44 OK 11 68 - 16 - ~5042=2, 4401/2.3=2...(6) QG2 VAL 76 - HG3 PRO 44 OK 10 68 - 15 - 4401/2.3=2, ~4404=2...(4) QG1 VAL 76 - HG3 PRO 44 OK 10 68 - 15 - 4401/2.3=2, ~4404=2...(4) Peak 5643 from cnoeabs.peaks (0.96, 2.05, 27.95 ppm; 5.64 A): 3 out of 6 assignments used, quality = 0.97: QD2 LEU 43 + HG2 PRO 44 OK 87 95 - 92 - 4388/2.3=27, ~4378=25...(22) QG1 VAL 45 + HG2 PRO 44 OK 55 63 - 87 - 5654/3.8=23, 5215/2.3=19...(29) QD1 LEU 64 + HG2 PRO 44 OK 41 100 - 41 - ~4405=6, 5642/1.8=6...(12) QG2 ILE 40 - HG2 PRO 44 OK 39 63 - 62 - 4.0/4394=9, 5642/1.8=9...(17) QG2 VAL 41 - HG2 PRO 44 OK 21 76 - 28 - 5642/1.8=5, 5216/2.3=4...(10) QD2 LEU 62 - HG2 PRO 44 OK 19 63 - 30 - 4679/2.3=5, 5642/1.8=4...(10) Peak 5644 from cnoeabs.peaks (2.66, 3.67, 50.94 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.90: HB2 ASP 47 + HD3 PRO 44 OK 87 99 - 88 - 4435=30, 5645/1.8=23...(18) HB3 ASN 49 + HD3 PRO 44 OK 22 85 - 26 - 5645/1.8=7, 4912/4.8=7...(8) Peak 5645 from cnoeabs.peaks (2.65, 4.04, 50.94 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.94: HB2 ASP 47 + HD2 PRO 44 OK 90 97 - 92 - 5644/1.8=36, 4434=23...(17) HB3 ASN 49 + HD2 PRO 44 OK 28 78 - 36 - 5644/1.8=9, 4.0/176=8...(8) HG2 MET 31 + HD2 PRO 44 OK 16 57 - 28 - 4197/4.8=4, ~1551=3...(11) Peak 5646 from cnoeabs.peaks (7.53, 4.04, 50.94 ppm; 5.42 A): 2 out of 4 assignments used, quality = 0.99: H LEU 43 + HD2 PRO 44 OK 98 98 - 100 - 4.8=100 H LEU 51 + HD2 PRO 44 OK 53 100 - 53 - 4525=7, 2009/4.8=7...(19) H ARG 54 - HD2 PRO 44 OK 24 100 - 24 - 2016/4.8=5, 2009/4.8=5...(6) HD21 ASN 80 - HD2 PRO 44 lone 7 90 - 8 - 2016/4.8=1, 2009/4.8=1 Peak 5647 from cnoeabs.peaks (7.51, 3.67, 50.94 ppm; 5.86 A): 1 out of 3 assignments used, quality = 0.97: H LEU 43 + HD3 PRO 44 OK 97 97 - 100 - 4.8=100 H LEU 51 - HD3 PRO 44 OK 33 78 - 42 - 5646/1.8=9, 2016/4.8=8...(12) H ARG 54 - HD3 PRO 44 OK 20 81 - 24 - 2016/4.8=6, 2009/4.8=6...(7) Peak 5648 from cnoeabs.peaks (4.53, 2.14, 27.95 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.89: HA LEU 43 + HG3 PRO 44 OK 81 100 - 81 - 4398/2.3=31, 4399/2.3=29...(11) HA LYS 13 + HG3 PRO 44 OK 43 97 - 45 - 4398/2.3=16, 4399/2.3=16...(7) Peak 5649 from cnoeabs.peaks (4.53, 2.05, 27.95 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.88: HA LEU 43 + HG2 PRO 44 OK 80 99 - 81 - 4398/2.3=30, 4399/2.3=29...(11) HA LYS 13 + HG2 PRO 44 OK 41 93 - 44 - 4398/2.3=16, 4399/2.3=15...(7) Peak 5650 from cnoeabs.peaks (4.57, 1.07, 22.09 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.90: HA PRO 44 + QG2 VAL 45 OK 90 100 - 90 - 3.6/629=38, 5654/2.1=36...(15) Peak 5652 from cnoeabs.peaks (7.15, 1.07, 22.09 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.81: QE PHE 48 + QG2 VAL 45 OK 81 100 - 81 - 2.2/4421=38, 4.4/4409=25...(9) Peak 5653 from cnoeabs.peaks (7.27, 1.07, 22.09 ppm; 5.77 A): 2 out of 3 assignments used, quality = 0.94: H ASP 47 + QG2 VAL 45 OK 90 100 - 91 - 4.6/165=38, 4424/2.1=30...(14) HE ARG 54 + QG2 VAL 45 OK 39 99 - 39 - 4424/2.1=11, 5651/4.0=10...(7) H ILE 40 - QG2 VAL 45 poor 8 60 - 14 - 4424/2.1=4, 4930/3.2=3...(4) Peak 5654 from cnoeabs.peaks (4.57, 0.99, 19.47 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.90: HA PRO 44 + QG1 VAL 45 OK 90 99 - 91 - 5650/2.1=40, 155/4.0=37...(16) Peak 5656 from cnoeabs.peaks (7.07, 0.99, 19.47 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.96: QD PHE 48 + QG1 VAL 45 OK 96 99 - 97 - 4421/2.1=39, 4418/3.2=30...(21) QD TYR 81 - QG1 VAL 45 OK 22 100 - 22 - 4421/2.1=7, 4418/3.2=6...(5) Peak 5659 from cnoeabs.peaks (8.65, 4.39, 56.46 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.83: H ASN 49 + HA ASP 47 OK 73 100 - 73 - 921/3.6=26, 4491/3.0=26...(8) H VAL 45 + HA ASP 47 OK 38 68 - 56 - 4438/3.0=17, 921/3.6=14...(10) Peak 5661 from cnoeabs.peaks (4.50, 2.67, 40.94 ppm; 5.04 A): 4 out of 4 assignments used, quality = 0.90: HA ASP 46 + HB2 ASP 47 OK 60 98 - 61 - 3.6/637=28, 3.0/3842=15...(12) HA LEU 43 + HB2 ASP 47 OK 50 57 - 87 - 3.8/5644=26, 3.0/4912=25...(10) HA ASP 24 + HB2 ASP 47 OK 43 92 - 47 - 3.0/2132=10, 1319/1.8=9...(10) HA ASP 67 + HB2 ASP 47 OK 12 71 - 17 - 3838/4.1=6, 2113/4.3=3...(5) Peak 5662 from cnoeabs.peaks (0.82, 4.39, 56.46 ppm; 5.11 A): 2 out of 8 assignments used, quality = 0.96: QD1 LEU 43 + HA ASP 47 OK 94 99 - 94 - 4914/3.0=29, ~4907=21...(21) QD1 ILE 89 + HA ASP 47 OK 32 96 - 33 - 4447/3.0=5, ~4442=5...(10) QG2 ILE 89 - HA ASP 47 OK 30 85 - 35 - 4447/3.0=5, 4933/3.0=5...(12) QD2 LEU 64 - HA ASP 47 OK 24 78 - 31 - 4933/3.0=5, 4447/3.0=4...(10) QG2 ILE 68 - HA ASP 47 OK 20 93 - 21 - 4752/3.0=4, 4447/3.0=3...(8) QG1 VAL 41 - HA ASP 47 OK 18 65 - 27 - 4.1/4454=7, ~4330=6...(8) QD2 LEU 29 - HA ASP 47 poor 9 78 - 12 - 4461/3.6=4, 4933/3.0=2...(4) QD2 LEU 86 - HA ASP 47 lone 9 97 - 9 - 4461/3.6=2, 4933/3.0=2...(4) Peak 5665 from cnoeabs.peaks (3.68, 4.03, 60.97 ppm; 5.23 A): 2 out of 4 assignments used, quality = 0.99: HD3 PRO 44 + HA PHE 48 OK 89 99 - 90 - 2056=14, 2.3/2084=14...(27) HA VAL 45 + HA PHE 48 OK 86 90 - 95 - 4407/3.0=41, 4418/3.7=27...(26) HD3 PRO 56 - HA PHE 48 OK 31 87 - 36 - 4451/3.0=5, 4455/3.0=4...(13) HD2 PRO 56 - HA PHE 48 OK 31 87 - 36 - 4451/3.0=5, 4455/3.0=4...(13) Peak 5673 from cnoeabs.peaks (7.25, 2.04, 29.07 ppm; 5.79 A): 4 out of 16 assignments used, quality = 0.96: H ASP 47 + HB2 GLU 50 OK 62 83 - 75 - 6130/3.9=18, ~4511=18...(14) H ASP 47 + HB3 GLU 50 OK 62 83 - 75 - 6130/3.9=18, ~4511=18...(14) H ALA 53 + HB3 GLU 50 OK 45 63 - 72 - 4943/4.7=17, ~4962=13...(13) H ALA 53 + HB2 GLU 50 OK 45 63 - 72 - 4943/4.7=17, ~4962=13...(13) H ILE 40 - HB3 GLU 50 OK 26 100 - 26 - 4943/4.7=10, 4508/3.9=8 H ILE 40 - HB2 GLU 50 OK 26 100 - 26 - 4943/4.7=10, 4508/3.9=8 HE ARG 54 - HB3 GLU 50 OK 14 89 - 16 - 4943/4.7=7, 4508/3.9=3 HE ARG 54 - HB2 GLU 50 OK 14 89 - 16 - 4943/4.7=7, 4508/3.9=3 H ASP 47 - HB2 GLU 25 poor 7 56 - 13 - 3.0/4510=1, 4.1/4444=1...(4) H ASP 47 - HB3 GLU 25 poor 7 55 - 13 - 3.0/4510=1, 4.1/4444=1...(4) H ILE 40 - HB2 GLU 25 lone 3 75 - 4 - H ILE 40 - HB3 GLU 25 lone 3 73 - 4 - H ALA 53 - HB2 GLU 25 lone 3 40 - 8 - H ALA 53 - HB3 GLU 25 lone 3 40 - 8 - HE ARG 54 - HB2 GLU 25 lone 2 61 - 3 - HE ARG 54 - HB3 GLU 25 lone 2 60 - 3 - Peak 5674 from cnoeabs.peaks (7.22, 3.89, 57.93 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.85: H ALA 53 + HA LEU 51 OK 77 100 - 77 - 925/3.6=34, 4943/3.0=19...(15) H ILE 40 + HA LEU 51 OK 36 85 - 42 - 4943/3.0=12, 925/3.6=9...(12) Peak 5675 from cnoeabs.peaks (7.21, 1.32, 41.26 ppm; 5.12 A): 4 out of 4 assignments used, quality = 0.94: H ALA 53 + HB2 LEU 51 OK 79 100 - 79 - 925/4.6=28, 5674/3.0=22...(14) H ALA 53 + HB2 LEU 52 OK 60 60 - 100 - 4.6=100 H ILE 40 + HB2 LEU 51 OK 24 63 - 39 - 5674/3.0=10, 4943/3.9=8...(10) H ILE 40 + HB2 LEU 52 OK 16 31 - 51 - 3864/1.8=12, 3866/3.1=11...(6) Peak 5676 from cnoeabs.peaks (7.71, 1.32, 41.26 ppm; 5.10 A): 5 out of 8 assignments used, quality = 0.95: H GLU 50 + HB2 LEU 51 OK 62 96 - 65 - 187/3.9=23, 5672/4.6=17...(10) H TYR 55 + HB2 LEU 51 OK 50 71 - 70 - 5731/3.1=21, 3.6/4524=11...(13) H ASN 42 + HB2 LEU 51 OK 39 100 - 39 - 187/3.9=12, 4944/3.0=9...(6) H MET 31 + HB2 LEU 51 OK 39 99 - 39 - 5086=7, 5677/1.8=6...(8) H GLU 50 + HB2 LEU 52 OK 27 54 - 50 - 5672/3.9=19, 3.6/4484=19...(8) H MET 31 - HB2 LEU 52 OK 20 58 - 35 - 5086=6, 5687/3.9=6...(10) H TYR 55 - HB2 LEU 52 OK 20 36 - 54 - 4581/3.0=24, 4973/4.6=16...(11) H ASN 42 - HB2 LEU 52 OK 12 60 - 20 - 5687/3.9=7, 4559/4.6=4...(4) Peak 5677 from cnoeabs.peaks (7.71, 1.60, 41.26 ppm; 5.34 A): 4 out of 4 assignments used, quality = 0.91: H GLU 50 + HB3 LEU 51 OK 63 97 - 65 - 187/3.9=25, 5672/4.6=18...(8) H ASN 42 + HB3 LEU 51 OK 42 100 - 42 - 187/3.9=13, 4944/3.0=10...(7) H TYR 55 + HB3 LEU 51 OK 41 68 - 61 - 5731/3.1=22, 3.6/4523=13...(9) H MET 31 + HB3 LEU 51 OK 29 98 - 29 - 5086/1.8=7, 4944/3.0=6...(6) Peak 5679 from cnoeabs.peaks (2.04, 3.89, 57.93 ppm; 5.11 A): 3 out of 16 assignments used, quality = 0.94: HB2 GLU 50 + HA LEU 51 OK 71 100 - 71 - 190/3.0=14, 3.9/4944=14...(15) HB3 GLU 50 + HA LEU 51 OK 71 100 - 71 - 190/3.0=14, 3.9/4944=14...(15) HG2 PRO 44 + HA LEU 51 OK 29 99 - 29 - ~5646=6, ~5647=4...(9) HB2 GLU 25 - HA LEU 51 OK 19 96 - 20 - 4.0/5084=4, 189/3.0=2...(10) HB3 GLU 25 - HA LEU 51 OK 19 95 - 20 - 4.0/5084=4, 4949/4.0=2...(10) HB VAL 76 - HA LEU 51 OK 13 100 - 13 - 190/3.0=2, 4949/4.0=1...(6) HB VAL 90 - HA LEU 51 OK 13 76 - 16 - 2.1/2213=3, 2.1/2213=3...(7) HB2 GLU 87 - HA LEU 51 OK 12 97 - 13 - ~192=5, ~3855=3, 190/3.0=2 HD2 ARG 69 - HA LEU 51 lone 9 97 - 9 - 4949/4.0=1, 189/3.0=1 HD3 ARG 69 - HA LEU 51 lone 9 97 - 9 - 4949/4.0=1, 189/3.0=1 HB3 MET 31 - HA LEU 51 poor 8 60 - 13 - 4.0/4944=5, 5911/5763=1 HB3 GLU 19 - HA LEU 51 lone 7 100 - 7 - ~192=1, 189/3.0=1 HG2 PRO 56 - HA LEU 51 lone 5 100 - 5 - HB3 PRO 56 - HA LEU 51 lone 5 97 - 5 - HB VAL 45 - HA LEU 51 lone 4 73 - 5 - 190/3.0=1, 4949/4.0=1 HB3 GLN 91 - HA LEU 51 lone 3 100 - 3 - Peak 5680 from cnoeabs.peaks (3.63, 0.19, 24.73 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.95: HA ILE 40 + QD2 LEU 51 OK 88 97 - 91 - 3.2/4301=34, 4.1/5173=26...(21) HA VAL 65 + QD2 LEU 51 OK 58 99 - 59 - 3.2/6104=32...(13) HA ARG 69 - QD2 LEU 51 OK 29 99 - 30 - 4606/6095=4, 1937/4301=4...(9) HD3 PRO 14 - QD2 LEU 51 OK 28 99 - 28 - 2.3/5641=5, 2.3/5641=5...(12) Peak 5682 from cnoeabs.peaks (5.00, 0.62, 23.89 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.87: HA PHE 35 + QD1 LEU 51 OK 87 100 - 87 - 3.7/4534=36, 3.0/5353=32...(14) Peak 5684 from cnoeabs.peaks (7.43, 0.89, 26.17 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.96: H LEU 52 + HG LEU 51 OK 87 99 - 88 - 198/2.1=40, 3858/3.0=23...(14) HE21 GLN 61 + HG LEU 51 OK 47 81 - 58 - 1.7/5223=14, ~4533=8...(13) H LEU 64 + HG LEU 51 OK 40 87 - 46 - 3860/2.1=10, 3858/3.0=9...(10) Peak 5685 from cnoeabs.peaks (7.34, 0.19, 24.73 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 55 + QD2 LEU 51 OK 99 100 - 99 - 4665=50, 4637/2.1=47...(27) Peak 5686 from cnoeabs.peaks (7.06, 0.62, 23.89 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 48 + QD1 LEU 51 OK 90 100 - 91 - 4625/2.1=45, 3.7/4469=30...(16) QD TYR 81 + QD1 LEU 51 OK 56 90 - 62 - 4527/2.1=17, 2.2/5727=10...(20) Peak 5690 from cnoeabs.peaks (7.54, 1.20, 26.33 ppm; 5.21 A): 4 out of 4 assignments used, quality = 0.94: H ARG 54 + HG LEU 52 OK 72 100 - 72 - 4966/3.7=29, 4.6/3865=18...(15) H LEU 51 + HG LEU 52 OK 70 100 - 70 - 924/5.0=21, 5141/3.7=12...(14) H LEU 43 + HG LEU 52 OK 21 93 - 22 - 193/5.0=5, 5141/3.7=4...(6) HD21 ASN 80 + HG LEU 52 OK 10 97 - 10 - 193/5.0=2, 5691/3.0=2 Peak 5691 from cnoeabs.peaks (7.53, 1.47, 40.92 ppm; 5.61 A): 2 out of 4 assignments used, quality = 0.96: H ARG 54 + HB3 LEU 52 OK 82 100 - 82 - 4966/3.0=35, 207/4.6=32...(15) H LEU 51 + HB3 LEU 52 OK 79 100 - 79 - 924/3.9=29, 4943/4.6=17...(15) H LEU 43 - HB3 LEU 52 OK 26 99 - 26 - 193/3.9=6, 5141/3.0=5...(7) HD21 ASN 80 - HB3 LEU 52 OK 12 85 - 14 - 193/3.9=3, 5690/3.0=2...(4) Peak 5692 from cnoeabs.peaks (6.93, 1.20, 26.33 ppm; 5.29 A): 3 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG LEU 52 OK 95 97 - 97 - 4581/2.1=48, 4582/2.1=45...(19) HZ PHE 48 + HG LEU 52 OK 90 95 - 95 - ~4538=37, ~4540=36...(13) HZ PHE 35 + HG LEU 52 OK 87 97 - 90 - ~4581=38, ~4582=33...(14) HD22 ASN 42 - HG LEU 52 lone 9 100 - 9 - 4536/3.7=1, 4539/2.1=1 Peak 5694 from cnoeabs.peaks (4.00, 0.44, 24.59 ppm; 5.41 A): 6 out of 6 assignments used, quality = 0.94: HA ARG 54 + QD1 LEU 52 OK 60 99 - 60 - 5695/2.1=15, ~5690=11...(17) HA PHE 48 + QD1 LEU 52 OK 50 65 - 76 - 3.7/4959=33, 3.6/5668=31...(8) HA ARG 66 + QD1 LEU 52 OK 41 71 - 58 - 4.1/5970=26...(12) HA ARG 70 + QD1 LEU 52 OK 22 100 - 22 - 5695/2.1=6, 5244/5315=4...(6) HA LYS 32 + QD1 LEU 52 OK 21 71 - 29 - 5695/2.1=7, 3.9/2281=3...(12) HB2 SER 22 + QD1 LEU 52 OK 20 98 - 20 - 5695/2.1=5, 5224/4.8=4...(7) Peak 5695 from cnoeabs.peaks (4.00, 0.51, 22.90 ppm; 4.91 A): 5 out of 6 assignments used, quality = 0.81: HA ARG 54 + QD2 LEU 52 OK 49 97 - 51 - 5694/2.1=9, ~5690=9...(18) HA ARG 66 + QD2 LEU 52 OK 30 81 - 37 - 6072/4613=10...(10) HA LYS 32 + QD2 LEU 52 OK 22 81 - 27 - 5694/2.1=3, 3.9/2288=3...(12) HA ARG 70 + QD2 LEU 52 OK 18 100 - 18 - 5244/4726=4, 5694/2.1=3...(6) HB2 SER 22 + QD2 LEU 52 OK 16 95 - 17 - 5224/4.8=3, 5694/2.1=3...(6) HA VAL 76 - QD2 LEU 52 lone 5 57 - 9 - 4604/4540=1 Peak 5699 from cnoeabs.peaks (2.04, 1.39, 18.28 ppm; 4.05 A): 3 out of 32 assignments used, quality = 0.75: HB2 GLU 50 + QB ALA 53 OK 45 100 - 45 - 3.0/4962=15, ~4509=7...(10) HB3 GLU 50 + QB ALA 53 OK 45 100 - 45 - 3.0/4962=15, ~4509=7...(10) HB VAL 76 + QB ALA 78 OK 17 57 - 31 - ~5861=5, 3.0/4962=5...(13) HB VAL 76 - QB ALA 53 lone 9 99 - 9 - 3.0/4962=2, 5698/2.9=1 HD2 ARG 69 - QB ALA 53 lone 9 99 - 9 - 5698/2.9=1 HD3 ARG 69 - QB ALA 53 lone 9 99 - 9 - 5698/2.9=1 HB2 GLU 25 - QB ALA 78 lone 3 49 - 6 - HB3 GLU 25 - QB ALA 78 lone 3 47 - 6 - HB2 GLU 25 - QB ALA 53 lone 3 92 - 3 - HG2 PRO 44 - QB ALA 53 lone 3 98 - 3 - HB3 GLU 25 - QB ALA 53 lone 3 90 - 3 - HD3 ARG 69 - QB ALA 78 lone 2 56 - 4 - HD2 ARG 69 - QB ALA 78 lone 2 56 - 4 - HB3 GLU 50 - QB ALA 78 lone 2 58 - 4 - HB2 GLU 50 - QB ALA 78 lone 2 58 - 4 - HB2 GLU 87 - QB ALA 53 lone 2 99 - 2 - HB3 GLU 19 - QB ALA 53 lone 2 100 - 2 - HB3 GLU 19 - QB ALA 78 lone 2 59 - 3 - HG2 PRO 56 - QB ALA 53 lone 2 100 - 2 - HB3 PRO 56 - QB ALA 53 lone 2 99 - 2 - HB3 PRO 56 - QB ALA 78 lone 2 56 - 3 - HB VAL 90 - QB ALA 78 lone 1 42 - 3 - HG2 PRO 56 - QB ALA 78 lone 1 59 - 2 - HB3 GLN 91 - QB ALA 53 lone 1 100 - 1 - HG2 ARG 66 - QB ALA 53 lone 1 63 - 2 - HB VAL 90 - QB ALA 53 lone 1 83 - 1 - HB2 GLU 87 - QB ALA 78 lone 1 56 - 2 - HB VAL 45 - QB ALA 53 lone 1 65 - 1 - HG2 PRO 44 - QB ALA 78 lone 1 55 - 1 - HB3 GLN 91 - QB ALA 78 lone 1 58 - 1 - HG2 ARG 66 - QB ALA 78 lone 0 30 - 1 - HB VAL 45 - QB ALA 78 lone 0 31 - 1 - Peak 5702 from cnoeabs.peaks (7.41, 4.16, 52.94 ppm; 5.20 A): 3 out of 3 assignments used, quality = 0.70: H LEU 52 + HA ALA 53 OK 55 83 - 67 - 925/3.0=31, 193/3.6=13...(10) H LYS 39 + HA ALA 53 OK 19 89 - 22 - 914/3.0=5, 4.6/2293=4...(6) H LEU 64 + HA ALA 53 OK 16 97 - 17 - 200/3.0=9, 924/3868=1 Peak 5705 from cnoeabs.peaks (7.69, 1.31, 27.15 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: H TYR 55 + HG2 ARG 54 OK 100 100 - 100 - 4.8=100 H GLN 61 + HG2 ARG 54 OK 56 97 - 58 - 3872/3.0=10, 3871/3.0=9...(14) H MET 31 - HG2 ARG 54 OK 30 92 - 32 - 3872/3.0=4, 3871/3.0=4...(9) H ASN 42 - HG2 ARG 54 OK 15 68 - 22 - 917/4.9=4, 4.6/2323=3...(8) Peak 5706 from cnoeabs.peaks (7.68, 1.58, 27.15 ppm; 5.20 A): 2 out of 15 assignments used, quality = 1.00: H TYR 55 + HG3 ARG 54 OK 99 99 - 100 - 4.8=100 H GLN 61 + HG LEU 62 OK 48 90 - 53 - 932/5.0=26, 5777/3.0=14...(7) H GLN 61 - HG3 ARG 54 OK 45 100 - 45 - 5705/1.8=10, 3872/3.0=9...(8) H TYR 55 - HG LEU 62 OK 39 88 - 45 - 5777/3.0=10, 246/5.0=8...(11) H MET 31 - HG3 ARG 54 OK 18 73 - 24 - 5705/1.8=6, 3872/3.0=4...(6) H MET 31 - HG LEU 62 OK 14 60 - 23 - 5777/3.0=7, 246/5.0=6...(4) H TYR 55 - HG LEU 86 poor 9 67 - 14 - 4.4/5950=2, 213/3.0=2, 215=1 H TYR 55 - HG3 ARG 84 lone 8 79 - 9 - 4.4/5950=1 H TYR 55 - HG2 ARG 84 lone 8 79 - 9 - 4.4/5950=1 H GLN 61 - HG LEU 86 poor 8 70 - 11 - 4.6/720=3, 5778/3.0=1 H MET 31 - HG LEU 86 lone 4 44 - 10 - 4192/2.1=3, 4.5/82=3 H GLN 61 - HG2 ARG 84 lone 3 81 - 4 - H GLN 61 - HG3 ARG 84 lone 3 81 - 4 - H MET 31 - HG3 ARG 84 lone 3 52 - 5 - 4.5/82=2 H MET 31 - HG2 ARG 84 lone 3 52 - 5 - 4.5/82=2 Peak 5707 from cnoeabs.peaks (6.65, 1.76, 30.94 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.79: QD PHE 35 + HB2 ARG 54 OK 57 100 - 58 - 4534/5144=11...(17) QD PHE 35 + HB2 PRO 34 OK 50 51 - 98 - 4243/2.3=43, 4242/2.3=39...(35) QD PHE 35 - HB3 ARG 17 lone 2 49 - 4 - Peak 5708 from cnoeabs.peaks (0.20, 3.03, 43.51 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 51 + HD3 ARG 54 OK 91 99 - 92 - 2.1/4573=25, ~4573=21...(29) QD2 LEU 51 + HD2 ARG 54 OK 91 99 - 92 - 2.1/4573=25, ~4573=21...(29) Peak 5710 from cnoeabs.peaks (6.81, 6.81, 117.91 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QE TYR 55 OK 100 100 - 100 QE TYR 81 - QE TYR 81 OK 28 28 - 100 Peak 5711 from cnoeabs.peaks (7.33, 6.81, 117.91 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.94: * QD TYR 55 + QE TYR 55 OK 94 94 - 100 - 2.2=100 QD TYR 55 - QE TYR 81 poor 8 50 - 16 - 4558=3, ~6000=1...(4) Peak 5712 from cnoeabs.peaks (6.65, 6.81, 117.91 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.91: QD PHE 35 + QE TYR 55 OK 91 100 - 91 - 4601/2.2=42, ~4658=25...(26) QD PHE 35 - QE TYR 81 poor 10 58 - 17 - 4534/4533=3, 4568/4648=3...(5) Peak 5714 from cnoeabs.peaks (6.82, 2.80, 40.22 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 55 + HB2 TYR 55 OK 100 100 - 100 - 4.4=100 HE22 GLN 61 - HB2 TYR 55 OK 41 97 - 43 - 2377/2.5=12, 2371/1.8=10...(8) Peak 5715 from cnoeabs.peaks (6.65, 2.80, 40.22 ppm; 5.35 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 35 + HB2 TYR 55 OK 98 100 - 98 - 5716/1.8=49, 4601/2.5=49...(20) Peak 5716 from cnoeabs.peaks (6.65, 2.94, 40.22 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 35 + HB3 TYR 55 OK 93 100 - 93 - 4601/2.5=40, 5715/1.8=25...(25) Peak 5717 from cnoeabs.peaks (6.55, 2.94, 40.22 ppm; 4.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5718 from cnoeabs.peaks (3.02, 6.81, 117.91 ppm; 4.35 A): 3 out of 6 assignments used, quality = 0.95: HD2 ARG 54 + QE TYR 55 OK 72 95 - 76 - ~4968=15, 4565=13...(15) HD3 ARG 54 + QE TYR 55 OK 71 94 - 76 - ~4968=15, 4565=13...(15) HB2 TYR 81 + QE TYR 81 OK 43 45 - 96 - 4.4=94, ~4674=17, ~5466=14 HD2 ARG 54 - QE TYR 81 OK 27 51 - 53 - 4676/2.2=10, 4565=7...(13) HD3 ARG 54 - QE TYR 81 OK 26 50 - 53 - 4676/2.2=10, ~4676=7...(13) HB2 TYR 81 - QE TYR 55 poor 9 88 - 10 - 2.5/6000=3, 4519/5727=2, 5999=1 Peak 5719 from cnoeabs.peaks (3.89, 6.81, 117.91 ppm; 5.08 A): 2 out of 8 assignments used, quality = 0.97: HA LEU 51 + QE TYR 55 OK 88 100 - 88 - 5142/2.2=36, 4.0/4647=33...(18) HA ILE 33 + QE TYR 55 OK 75 100 - 75 - 4206=24, 4.1/4213=14...(20) HD2 PRO 36 - QE TYR 55 OK 39 82 - 47 - 5578/5712=10, 4.8/6080=9...(14) HB3 SER 22 - QE TYR 55 OK 25 100 - 25 - 4632/2.2=5, ~4662=3...(7) HA LEU 51 - QE TYR 81 OK 20 58 - 34 - 4.0/4648=8, 4.0/5727=8...(12) HB3 SER 22 - QE TYR 81 OK 14 57 - 24 - ~4674=6, ~5466=5...(4) HA ILE 33 - QE TYR 81 poor 7 57 - 12 - 4.8/5563=2 HD2 PRO 36 - QE TYR 81 lone 3 41 - 8 - 5578/5712=1 Peak 5720 from cnoeabs.peaks (4.88, 6.81, 117.91 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.76: HA TYR 55 + QE TYR 55 OK 76 80 - 95 - 5.6=70, 4555/2.2=40...(8) HA TYR 55 - QE TYR 81 poor 6 40 - 16 - 3.0/5713=4, 3.7/2377=4...(5) Peak 5721 from cnoeabs.peaks (2.93, 6.81, 117.91 ppm; 4.87 A): 2 out of 16 assignments used, quality = 1.00: HB3 TYR 55 + QE TYR 55 OK 99 99 - 100 - 4.4=100 HB3 PHE 35 + QE TYR 55 OK 64 75 - 85 - 2.6/5712=36, ~4601=29...(15) HE2 LYS 32 - QE TYR 55 OK 19 82 - 24 - 2376/2.2=4, ~2376=3...(10) HE3 LYS 32 - QE TYR 55 OK 19 80 - 24 - 2376/2.2=4, ~2376=3...(10) HB3 TYR 55 - QE TYR 81 OK 12 56 - 21 - 2.5/2377=5, 2371=4...(7) HE3 LYS 73 - QE TYR 55 poor 9 84 - 11 - 2376/2.2=2, ~2376=1...(4) HE2 LYS 73 - QE TYR 55 poor 9 82 - 11 - 2376/2.2=2, ~2376=1...(4) HE3 LYS 75 - QE TYR 55 lone 6 65 - 9 - 2376/2.2=1, ~2376=1 HE2 LYS 75 - QE TYR 55 lone 5 62 - 9 - 2376/2.2=1, ~2376=1 HB3 PHE 35 - QE TYR 81 poor 5 37 - 13 - 2.6/5712=4, 4865/4648=2 HE3 LYS 73 - QE TYR 81 lone 3 43 - 7 - 3.7/4686=1, ~6007=1...(4) HE2 LYS 73 - QE TYR 81 lone 3 41 - 7 - 3.7/4686=1, ~4677=1...(4) HE3 LYS 75 - QE TYR 81 lone 3 31 - 9 - ~6007=2, ~4685=1...(5) HE2 LYS 75 - QE TYR 81 lone 3 29 - 9 - ~6007=1, ~4685=1...(5) HE2 LYS 32 - QE TYR 81 lone 2 41 - 5 - HE3 LYS 32 - QE TYR 81 lone 2 40 - 5 - Peak 5722 from cnoeabs.peaks (2.80, 6.81, 117.91 ppm; 5.11 A): 1 out of 6 assignments used, quality = 1.00: HB2 TYR 55 + QE TYR 55 OK 100 100 - 100 - 4.4=100 HB2 ASN 74 - QE TYR 55 OK 30 99 - 30 - 2375/2.2=9, ~2375=5...(7) HB3 ASN 74 - QE TYR 55 OK 20 75 - 27 - ~2375=7, 2375/2.2=7...(6) HB2 TYR 55 - QE TYR 81 OK 12 57 - 20 - 2.5/2377=5, 3.8/5713=4...(7) HB2 ASN 74 - QE TYR 81 lone 2 55 - 3 - HB3 ASN 74 - QE TYR 81 lone 1 37 - 3 - Peak 5723 from cnoeabs.peaks (1.77, 6.81, 117.91 ppm; 4.18 A): 5 out of 34 assignments used, quality = 1.00: HB2 ARG 54 + QE TYR 55 OK 87 99 - 87 - 4561/2.2=21, ~4563=20...(21) HG2 PRO 34 + QE TYR 55 OK 85 97 - 88 - 4246/2.2=29, ~5565=20...(23) HB2 PRO 34 + QE TYR 55 OK 80 97 - 83 - ~4246=19, ~5565=18...(19) HB ILE 33 + QE TYR 55 OK 52 100 - 52 - 3.2/4213=11, 3.0/4206=11...(13) HB2 LEU 57 + QE TYR 55 OK 49 100 - 49 - ~4989=13, ~4636=10...(10) HB3 LYS 32 - QE TYR 55 OK 32 99 - 32 - 4247/2.2=4, ~4247=3...(14) HB2 LYS 32 - QE TYR 55 OK 32 99 - 32 - 4247/2.2=4, ~4247=3...(14) HB3 LYS 39 - QE TYR 55 OK 30 94 - 32 - ~4666=5, ~4634=5...(10) HB2 ARG 54 - QE TYR 81 OK 29 57 - 52 - ~4684=12, 4562=10...(12) HB2 LEU 62 - QE TYR 55 OK 21 75 - 29 - 3.1/4646=5, ~5950=3...(11) HB3 ARG 82 - QE TYR 81 OK 15 57 - 26 - ~5868=6, 4683/2.2=5...(6) HB2 PRO 34 - QE TYR 81 OK 10 53 - 19 - 1.8/5291=3, 4683/2.2=3...(7) HG2 PRO 34 - QE TYR 81 OK 10 53 - 19 - 2.3/5291=3, 4683/2.2=2...(8) HB3 ARG 82 - QE TYR 55 lone 8 99 - 8 - 4247/2.2=1 HB3 LYS 73 - QE TYR 55 lone 7 98 - 8 - 5205/4648=1 HB3 LYS 75 - QE TYR 55 lone 7 86 - 8 - 5205/4648=2, ~4666=1 HB3 LYS 73 - QE TYR 81 poor 6 55 - 11 - 4683/2.2=3, ~4675=2...(5) HB3 LYS 39 - QE TYR 81 poor 6 50 - 11 - ~4684=3, 4683/2.2=2, 5205/4648=1 HG3 ARG 71 - QE TYR 55 lone 4 86 - 5 - HB3 LYS 32 - QE TYR 81 lone 4 57 - 7 - 4683/2.2=1 HB2 LYS 32 - QE TYR 81 lone 4 57 - 7 - 4683/2.2=1 HG3 ARG 26 - QE TYR 55 lone 4 80 - 4 - HB2 LYS 13 - QE TYR 55 lone 3 82 - 4 - HB3 LYS 75 - QE TYR 81 lone 3 44 - 7 - 4683/2.2=1, ~4685=1 HB ILE 33 - QE TYR 81 lone 3 58 - 5 - HB3 ARG 17 - QE TYR 55 lone 2 67 - 3 - HB2 LEU 57 - QE TYR 81 lone 2 57 - 4 - HB2 LYS 83 - QE TYR 55 lone 2 95 - 2 - HB2 LEU 62 - QE TYR 81 lone 2 37 - 4 - HB2 LYS 83 - QE TYR 81 lone 1 51 - 3 - HG3 ARG 71 - QE TYR 81 lone 1 44 - 2 - HB2 LYS 13 - QE TYR 81 lone 1 41 - 2 - HG3 ARG 26 - QE TYR 81 lone 1 40 - 2 - HB3 ARG 17 - QE TYR 81 lone 1 32 - 2 - Peak 5724 from cnoeabs.peaks (1.56, 6.81, 117.91 ppm; 4.62 A): 2 out of 26 assignments used, quality = 0.97: HG3 ARG 54 + QE TYR 55 OK 85 95 - 89 - ~4968=21, ~4563=20...(21) HB3 ARG 54 + QE TYR 55 OK 81 89 - 90 - 4563/2.2=30, ~4561=19...(21) HG2 LYS 39 - QE TYR 55 OK 36 89 - 41 - 5939/5712=9, 4634/2.2=8...(10) HG LEU 62 - QE TYR 55 OK 31 100 - 32 - 2.1/4646=7, 5950/2.2=6...(11) HG3 ARG 54 - QE TYR 81 OK 29 51 - 57 - ~4684=11, 1.8/4969=10...(12) HB3 ARG 54 - QE TYR 81 OK 25 47 - 54 - 4684/2.2=11, 1.8/4562=11...(12) HB3 LEU 62 - QE TYR 55 OK 22 72 - 30 - 3.1/4646=6, ~5950=4...(12) HD3 LYS 39 - QE TYR 55 OK 22 86 - 25 - ~4634=6, 3.5/4667=4...(9) HD2 LYS 39 - QE TYR 55 OK 21 84 - 25 - ~4634=6, 3.5/4667=4...(9) HB3 LEU 86 - QE TYR 55 OK 14 100 - 14 - 3.1/4646=3, ~4655=2...(5) HB3 LEU 29 - QE TYR 55 lone 7 89 - 8 - 3.1/4646=1, ~4655=1, 5778/6.3=1 HG2 LYS 39 - QE TYR 81 poor 7 47 - 14 - 4684/2.2=3, 6087/4648=2, ~4683=1 HG LEU 64 - QE TYR 55 lone 6 72 - 8 - 4634/2.2=2, 2.1/4646=1 HD3 LYS 39 - QE TYR 81 poor 5 44 - 11 - ~4684=3, ~6007=2, ~4677=1 HD2 LYS 39 - QE TYR 81 poor 5 43 - 11 - ~4684=3, ~6007=2, ~4677=1 HG2 ARG 84 - QE TYR 55 lone 4 59 - 7 - 5950/2.2=1 HG3 ARG 84 - QE TYR 55 lone 4 59 - 7 - 5950/2.2=1 HG LEU 62 - QE TYR 81 lone 3 57 - 6 - HG3 ARG 23 - QE TYR 55 lone 3 75 - 4 - HB3 LEU 62 - QE TYR 81 lone 2 35 - 5 - HB3 LEU 86 - QE TYR 81 lone 2 58 - 3 - HB3 LEU 29 - QE TYR 81 lone 1 47 - 3 - HG LEU 64 - QE TYR 81 lone 1 35 - 4 - 4684/2.2=1 HG2 ARG 84 - QE TYR 81 lone 1 28 - 4 - 3.9/4678=1 HG3 ARG 84 - QE TYR 81 lone 1 28 - 4 - 3.9/4678=1 HG3 ARG 23 - QE TYR 81 lone 1 37 - 2 - Peak 5725 from cnoeabs.peaks (1.30, 6.81, 117.91 ppm; 5.05 A): 2 out of 12 assignments used, quality = 0.99: HG2 ARG 54 + QE TYR 55 OK 93 100 - 94 - 4968/2.2=33, ~4563=23...(21) HB2 LEU 51 + QE TYR 55 OK 87 89 - 97 - 3.1/4647=38, 3.1/4648=32...(18) HG2 ARG 54 - QE TYR 81 OK 38 58 - 65 - 4969=14, ~4684=13...(13) HG3 LYS 32 - QE TYR 55 OK 24 75 - 32 - 4663/2.2=5, ~4247=3...(13) HG2 LYS 32 - QE TYR 55 OK 21 77 - 28 - ~4663=4, 4663/2.2=4...(10) HB2 LEU 51 - QE TYR 81 OK 19 47 - 40 - 3.1/4648=9, ~4527=9...(7) QG2 THR 58 - QE TYR 55 OK 14 99 - 14 - 4623/6.3=5, 4663/2.2=2...(4) HG3 LYS 32 - QE TYR 81 lone 3 37 - 7 - HG2 LYS 32 - QE TYR 81 lone 2 38 - 6 - QG2 THR 58 - QE TYR 81 lone 2 55 - 4 - QB ALA 12 - QE TYR 55 lone 2 65 - 3 - QB ALA 12 - QE TYR 81 lone 1 31 - 2 - Peak 5726 from cnoeabs.peaks (0.90, 6.81, 117.91 ppm; 4.92 A): 1 out of 22 assignments used, quality = 0.93: HG LEU 51 + QE TYR 55 OK 93 96 - 97 - 2.1/4647=41, 2.1/4648=36...(15) HG LEU 51 - QE TYR 81 OK 21 52 - 41 - ~4527=11, 2.1/4648=10...(6) QG2 ILE 40 - QE TYR 55 OK 21 65 - 33 - 3.0/4664=11, ~4635=7...(6) QD1 LEU 62 - QE TYR 55 OK 19 59 - 32 - 4655/2.2=6, ~5950=5...(13) QD2 LEU 62 - QE TYR 55 OK 18 65 - 28 - ~5950=5, ~4655=4...(10) QD1 LEU 86 - QE TYR 55 OK 17 91 - 18 - 4655/2.2=4, 2248/5727=2...(8) QG2 ILE 40 - QE TYR 81 poor 10 31 - 32 - 5128/2.2=6, ~5619=6...(9) QG2 VAL 90 - QE TYR 55 lone 7 99 - 7 - 4655/2.2=2, ~4655=1 QG1 VAL 90 - QE TYR 55 lone 7 100 - 7 - 4655/2.2=2, ~4655=1 QD1 LEU 29 - QE TYR 55 lone 7 75 - 10 - 4655/2.2=2, 2248/5727=2 HG12 ILE 68 - QE TYR 55 lone 6 86 - 7 - 4564/5712=2, 4655/2.2=1 QG1 VAL 76 - QE TYR 55 lone 4 86 - 5 - QG2 VAL 76 - QE TYR 55 lone 4 86 - 5 - QD1 LEU 86 - QE TYR 81 lone 2 48 - 4 - QG1 VAL 90 - QE TYR 81 lone 2 57 - 3 - QG2 VAL 90 - QE TYR 81 lone 2 57 - 3 - QD1 LEU 62 - QE TYR 81 lone 1 28 - 5 - QD2 LEU 62 - QE TYR 81 lone 1 31 - 5 - QG1 VAL 76 - QE TYR 81 lone 1 44 - 3 - QG2 VAL 76 - QE TYR 81 lone 1 44 - 3 - QD1 LEU 29 - QE TYR 81 lone 1 37 - 3 - HG12 ILE 68 - QE TYR 81 lone 1 44 - 3 - Peak 5727 from cnoeabs.peaks (0.63, 6.81, 117.91 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.89: QD1 LEU 51 + QE TYR 55 OK 86 100 - 87 - 4533=30, 4531/2.2=25...(18) QD1 LEU 51 + QE TYR 81 OK 21 57 - 36 - 4533=9, 2.1/4648=6...(9) Peak 5728 from cnoeabs.peaks (0.18, 6.81, 117.91 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 51 + QE TYR 55 OK 87 91 - 96 - 2.1/4647=40, 4665/2.2=36...(20) QD2 LEU 51 + QE TYR 81 OK 23 48 - 48 - 4527/2.2=13, 2.1/5727=9...(12) Peak 5735 from cnoeabs.peaks (8.15, 3.70, 50.06 ppm; 5.51 A): 2 out of 14 assignments used, quality = 0.99: H LEU 57 + HD3 PRO 56 OK 89 100 - 89 - 218/3.6=45, 220/3.0=24...(10) H LEU 57 + HD2 PRO 56 OK 89 100 - 89 - 218/3.6=45, 220/3.0=24...(10) H ASN 74 - HD3 PRO 56 OK 14 100 - 14 - 4.0/4595=3, 3880/3.0=2...(6) H ASN 74 - HD2 PRO 56 OK 14 100 - 14 - 4.0/4595=3, 3880/3.0=2...(6) H ARG 26 - HD3 PRO 56 lone 8 83 - 9 - 3880/3.0=2, 3879/3.6=1 H ARG 26 - HD2 PRO 56 lone 8 83 - 9 - 3880/3.0=2, 3879/3.6=1 H ALA 78 - HD3 PRO 56 lone 5 100 - 5 - 3880/3.0=1 H ALA 78 - HD2 PRO 56 lone 5 100 - 5 - 3880/3.0=1 H THR 88 - HD2 PRO 56 lone 5 83 - 6 - 3880/3.0=1, 5275/3.0=1 H THR 88 - HD3 PRO 56 lone 5 83 - 6 - 3880/3.0=1, 5275/3.0=1 H ARG 27 - HD2 PRO 56 lone 4 65 - 5 - 3880/3.0=1 H ARG 27 - HD3 PRO 56 lone 4 65 - 5 - 3880/3.0=1 H ILE 89 - HD3 PRO 56 lone 3 78 - 3 - H ILE 89 - HD2 PRO 56 lone 3 78 - 3 - Peak 5737 from cnoeabs.peaks (9.05, 1.95, 26.44 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.97: H THR 58 + HG LEU 57 OK 97 97 - 100 - 4.9=100 Peak 5738 from cnoeabs.peaks (8.83, 0.71, 23.03 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.99: H LEU 62 + QD2 LEU 57 OK 98 100 - 98 - 5368/4.8=33, ~6069=32...(26) H THR 37 + QD2 LEU 57 OK 66 93 - 71 - 5739/2.1=16, 4618/3.1=14...(15) Peak 5739 from cnoeabs.peaks (8.82, 1.00, 27.02 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.98: H LEU 62 + QD1 LEU 57 OK 95 100 - 95 - 3.0/6069=43, 5368/4.8=33...(18) H THR 37 + QD1 LEU 57 OK 63 97 - 65 - 5738/2.1=16, 3.0/4279=15...(12) Peak 5740 from cnoeabs.peaks (9.04, 1.00, 27.02 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.93: H THR 58 + QD1 LEU 57 OK 93 93 - 100 - 4.8=100 Peak 5741 from cnoeabs.peaks (7.69, 0.71, 23.03 ppm; 5.42 A): 3 out of 4 assignments used, quality = 1.00: H GLN 61 + QD2 LEU 57 OK 94 99 - 94 - 4648/4.8=33, 4659=26...(26) H TYR 55 + QD2 LEU 57 OK 92 100 - 92 - 3.0/6132=38, 5730/2.1=31...(25) H MET 31 + QD2 LEU 57 OK 64 85 - 76 - 4.0/6120=18, 4.0/4846=15...(22) H ASN 42 - QD2 LEU 57 OK 11 57 - 20 - 3.0/4990=5, 5.7/4616=2 Peak 5742 from cnoeabs.peaks (6.65, 0.71, 23.03 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.94: QD PHE 35 + QD2 LEU 57 OK 94 100 - 94 - 4565=24, 2.2/4579=23...(32) Peak 5748 from cnoeabs.peaks (2.79, 1.00, 27.02 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.96: HB2 TYR 55 + QD1 LEU 57 OK 96 99 - 97 - 4586=29, 4584/2.1=26...(22) HB3 ASN 74 - QD1 LEU 57 OK 37 95 - 39 - 5150/2.1=9, ~5152=8...(9) HB2 ASN 74 - QD1 LEU 57 OK 37 89 - 41 - 5152/2.1=9, 5150/2.1=8...(10) Peak 5749 from cnoeabs.peaks (2.53, 1.00, 27.02 ppm; 5.62 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLN 61 + QD1 LEU 57 OK 98 100 - 98 - 5771=36, 4653/4.8=34...(24) HG3 MET 31 + QD1 LEU 57 OK 89 99 - 90 - 4848/2.1=23, ~4847=18...(22) HB3 ASP 46 - QD1 LEU 57 OK 33 89 - 37 - 4445=12, 4.0/166=9...(9) HB2 ASP 24 - QD1 LEU 57 lone 7 73 - 9 - ~5955=3 Peak 5750 from cnoeabs.peaks (1.33, 0.71, 23.03 ppm; 4.88 A): 4 out of 7 assignments used, quality = 1.00: HB2 LEU 52 + QD2 LEU 57 OK 96 99 - 97 - 3.1/5751=32, ~4613=27...(28) QG2 THR 58 + QD2 LEU 57 OK 68 90 - 75 - 4.0/3888=32, 2.1/2457=17...(14) QB ALA 28 + QD2 LEU 57 OK 63 97 - 64 - 4178=19, 2.1/4174=16...(16) HB2 LEU 51 + QD2 LEU 57 OK 50 99 - 50 - 4.6/4988=8, 3.0/4606=8...(20) HG2 ARG 54 - QD2 LEU 57 OK 35 78 - 45 - 4.8/5741=7, 4968/4989=6...(15) HG3 LYS 32 - QD2 LEU 57 OK 33 100 - 33 - 4986/2.1=3, 3.9/4604=3...(13) QB ALA 12 - QD2 LEU 57 lone 4 100 - 4 - Peak 5751 from cnoeabs.peaks (0.50, 0.71, 23.03 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 52 + QD2 LEU 57 OK 91 95 - 96 - 4613/2.1=48, ~5154=25...(28) Peak 5755 from cnoeabs.peaks (7.45, 1.31, 21.61 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.74: HE21 GLN 61 + QG2 THR 58 OK 70 100 - 70 - 3.5/5230=22, 4.6/4627=16...(11) H LEU 52 + QG2 THR 58 OK 14 73 - 19 - 5760/4623=3, 3.6/2211=2...(7) HE21 GLN 79 - QG2 THR 58 lone 2 76 - 3 - Peak 5756 from cnoeabs.peaks (1.49, 3.84, 62.16 ppm; 5.03 A): 6 out of 10 assignments used, quality = 0.93: QB ALA 63 + HB2 SER 60 OK 64 100 - 64 - 4995/3.0=30, 4688=16...(7) QB ALA 63 + HB3 SER 60 OK 64 100 - 64 - 4995/3.0=30, 4688=16...(7) HB3 LEU 57 + HB2 SER 60 OK 16 89 - 18 - 4657/4.4=9, 4995/3.0=8 HB3 LEU 57 + HB3 SER 60 OK 16 89 - 18 - 4657/4.4=9, 4995/3.0=8 HB3 LEU 52 + HB2 SER 60 OK 12 96 - 13 - 4657/4.4=6, 4995/3.0=5 HB3 LEU 52 + HB3 SER 60 OK 12 96 - 13 - 4657/4.4=6, 4995/3.0=5 HG2 LYS 73 - HB2 SER 60 lone 7 99 - 7 - 4995/3.0=3, 4657/4.4=3 HG2 LYS 73 - HB3 SER 60 lone 7 99 - 7 - 4995/3.0=3, 4657/4.4=3 HG3 LYS 13 - HB3 SER 60 lone 1 60 - 2 - HG3 LYS 13 - HB2 SER 60 lone 1 60 - 2 - Peak 5757 from cnoeabs.peaks (9.06, 3.96, 59.26 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.95: H THR 58 + HA GLN 61 OK 94 99 - 94 - 4648/3.0=42, 5368/3.6=36...(15) H THR 58 + HA GLU 50 OK 19 95 - 20 - 5754=3, 4.8/4503=2...(7) Peak 5758 from cnoeabs.peaks (8.37, 3.96, 59.26 ppm; 5.25 A): 4 out of 10 assignments used, quality = 0.72: H VAL 65 + HA GLN 61 OK 51 97 - 53 - 4674/4.7=18, 4.6/4941=9...(12) H VAL 65 + HA GLU 50 OK 23 91 - 25 - 4.6/4941=6, 4.4/5232=2...(10) H GLY 21 + HA GLN 61 OK 18 93 - 19 - 4674/4.7=5, ~2541=2...(6) H ARG 17 + HA GLN 61 OK 11 100 - 11 - 4674/4.7=5 H GLY 21 - HA GLU 50 lone 8 87 - 9 - H GLY 18 - HA GLN 61 lone 5 60 - 8 - 4674/4.7=3 H ARG 17 - HA GLU 50 lone 4 96 - 4 - H ALA 16 - HA GLN 61 lone 3 87 - 4 - H ALA 16 - HA GLU 50 lone 2 81 - 3 - H GLY 18 - HA GLU 50 lone 2 55 - 3 - Peak 5761 from cnoeabs.peaks (7.45, 1.66, 30.35 ppm; 5.79 A): 1 out of 3 assignments used, quality = 0.99: HE21 GLN 61 + HB3 GLN 61 OK 99 99 - 100 - 4.6=100 H LEU 52 - HB3 GLN 61 OK 32 78 - 41 - 5760/4.0=10, 5776/4.6=9...(9) HE21 GLN 79 - HB3 GLN 61 lone 7 71 - 9 - 2554/3.0=2, 2562/3.0=2 Peak 5765 from cnoeabs.peaks (2.02, 2.53, 30.35 ppm; 4.95 A): 3 out of 15 assignments used, quality = 0.76: HG2 PRO 44 + HB2 GLN 61 OK 50 71 - 70 - 1.8/2537=16, ~2545=12...(17) HB2 GLU 50 + HB2 GLN 61 OK 31 87 - 36 - 3.0/2526=5, ~2529=4...(18) HB3 GLU 50 + HB2 GLN 61 OK 31 87 - 36 - 3.0/2526=5, ~2529=4...(18) HG2 ARG 66 - HB2 GLN 61 poor 10 96 - 10 - 4.1/2533=2, ~2707=1...(4) HD2 ARG 69 - HB2 GLN 61 lone 9 99 - 9 - 3.0/5773=1 HD3 ARG 69 - HB2 GLN 61 lone 9 99 - 9 - 3.0/5773=1 HB VAL 76 - HB2 GLN 61 poor 8 78 - 10 - 3.0/2533=2, ~2541=2...(4) HB3 GLN 79 - HB2 GLN 61 lone 5 63 - 8 - ~6011=1 HB3 PRO 56 - HB2 GLN 61 lone 3 98 - 3 - HG2 PRO 56 - HB2 GLN 61 lone 3 92 - 3 - HB3 MET 11 - HB2 GLN 61 lone 2 90 - 3 - HB2 GLU 87 - HB2 GLN 61 lone 2 98 - 2 - HB VAL 90 - HB2 GLN 61 lone 2 100 - 2 - HB3 GLU 19 - HB2 GLN 61 lone 2 90 - 2 - HB3 GLN 91 - HB2 GLN 61 lone 1 87 - 2 - Peak 5767 from cnoeabs.peaks (1.31, 2.16, 34.98 ppm; 5.88 A): 3 out of 7 assignments used, quality = 0.98: QG2 THR 58 + HG3 GLN 61 OK 90 100 - 90 - 4.0/5159=32, 5755/3.5=30...(12) HB2 LEU 51 + HG3 GLN 61 OK 67 93 - 72 - 4664/1.8=10, 4668/3.5=9...(19) HG2 ARG 54 + HG3 GLN 61 OK 47 100 - 47 - 4.8/2556=8, 5705/5.0=8...(14) HG3 LYS 32 - HG3 GLN 61 OK 40 81 - 50 - ~6065=7, 4668/3.5=5...(16) HG2 LYS 32 - HG3 GLN 61 OK 33 73 - 46 - ~6065=7, 4664/1.8=7...(14) HB2 LEU 52 - HG3 GLN 61 OK 22 63 - 34 - 3.9/2562=5, 4658/5.0=4...(15) QB ALA 12 - HG3 GLN 61 lone 3 71 - 5 - Peak 5768 from cnoeabs.peaks (1.31, 2.53, 30.35 ppm; 5.31 A): 3 out of 8 assignments used, quality = 0.95: QG2 THR 58 + HB2 GLN 61 OK 89 100 - 89 - 4.0/4653=36, 4627=25...(15) HB2 LEU 51 + HB2 GLN 61 OK 34 97 - 35 - 4664/3.0=7, 4671/4.6=7...(6) HG2 ARG 54 + HB2 GLN 61 OK 34 100 - 34 - 5705/4.0=8, 4.8/2532=7...(7) HG3 LYS 32 - HB2 GLN 61 OK 33 89 - 37 - 4658/4.0=4, 5767/3.0=4...(13) QB ALA 28 - HB2 GLN 61 OK 25 65 - 39 - 5533=7, 2.1/2533=6...(16) HB2 LEU 52 - HB2 GLN 61 OK 21 73 - 29 - 4658/4.0=4, 1.8/4661=4...(12) HG2 LYS 32 - HB2 GLN 61 OK 19 63 - 30 - 4664/3.0=5, 4668/4.6=3...(11) QB ALA 12 - HB2 GLN 61 lone 3 81 - 4 - Peak 5770 from cnoeabs.peaks (0.98, 1.66, 30.35 ppm; 5.27 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 57 + HB3 GLN 61 OK 87 90 - 96 - 5771/1.8=29, 4.8/4654=29...(24) QD1 LEU 64 + HB3 GLN 61 OK 36 71 - 52 - ~5311=12, 2.1/5161=8...(14) QG1 VAL 45 + HB3 GLN 61 OK 22 99 - 22 - 4410/1.8=11, 231/4654=4...(5) Peak 5771 from cnoeabs.peaks (0.99, 2.53, 30.35 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.96: QD1 LEU 57 + HB2 GLN 61 OK 96 99 - 97 - 4.8/4653=30, 2.1/4662=24...(24) QG1 VAL 45 - HB2 GLN 61 OK 34 100 - 34 - 4410=12, 5770/1.8=6...(9) Peak 5772 from cnoeabs.peaks (1.21, 1.66, 30.35 ppm; 5.31 A): 4 out of 6 assignments used, quality = 0.95: HG13 ILE 33 + HB3 GLN 61 OK 85 97 - 88 - 2.1/4663=23, ~4225=20...(17) QG2 VAL 65 + HB3 GLN 61 OK 38 100 - 38 - 5773/1.8=6, 4725/4663=5...(10) QG1 VAL 65 + HB3 GLN 61 OK 25 76 - 33 - 5773/1.8=5, ~5773=5...(10) HG LEU 52 + HB3 GLN 61 OK 22 93 - 23 - 5.0/5761=5, 5773/1.8=3...(8) HG13 ILE 40 - HB3 GLN 61 poor 9 78 - 11 - 5773/1.8=2, 4660/3.0=1...(5) QG2 THR 15 - HB3 GLN 61 lone 3 87 - 3 - Peak 5773 from cnoeabs.peaks (1.22, 2.53, 30.35 ppm; 5.92 A): 2 out of 7 assignments used, quality = 0.95: HG13 ILE 33 + HB2 GLN 61 OK 92 100 - 92 - 2.1/4662=24, 5772/1.8=21...(20) QG2 VAL 65 + HB2 GLN 61 OK 43 100 - 43 - 5772/1.8=9, 4725/4225=6...(10) QG1 VAL 65 - HB2 GLN 61 OK 37 92 - 40 - ~5772=8, 5772/1.8=6...(10) HG LEU 52 - HB2 GLN 61 OK 21 78 - 27 - 5772/1.8=5, 3.0/4661=4...(9) HG13 ILE 40 - HB2 GLN 61 OK 14 93 - 15 - 4660/3.0=2, 5772/1.8=2...(5) HG2 ARG 69 - HB2 GLN 61 OK 13 76 - 17 - 3.0/5765=2, 3.0/5765=2...(7) QG2 THR 15 - HB2 GLN 61 lone 3 68 - 4 - Peak 5777 from cnoeabs.peaks (7.69, 1.75, 41.88 ppm; 5.40 A): 3 out of 4 assignments used, quality = 0.86: H GLN 61 + HB2 LEU 62 OK 62 99 - 63 - 932/4.0=32, 5780/4.6=16...(9) H TYR 55 + HB2 LEU 62 OK 46 100 - 46 - 246/4.0=10, 5778/1.8=9...(14) H MET 31 + HB2 LEU 62 OK 30 85 - 35 - 246/4.0=7, 4.5/3907=7...(7) H ASN 42 - HB2 LEU 62 poor 8 57 - 14 - 5635=3, 4.1/2576=3...(5) Peak 5778 from cnoeabs.peaks (7.67, 1.59, 41.88 ppm; 5.44 A): 4 out of 8 assignments used, quality = 0.86: H GLN 61 + HB3 LEU 62 OK 61 99 - 61 - 932/4.0=33, 5780/4.6=16...(8) H TYR 55 + HB3 LEU 62 OK 40 92 - 44 - 5777/1.8=11, 246/4.0=10...(9) H GLN 61 + HB3 LEU 29 OK 27 97 - 28 - 5759/4.6=7, 4.6/2578=6...(8) H TYR 55 + HB3 LEU 29 OK 16 89 - 18 - 4582/3.0=6, 215=2, 909/4.6=2 H GLN 61 - HB3 LEU 86 poor 6 58 - 10 - 4.6/2578=3, 243/3.0=1 H GLN 61 - HB2 LEU 86 lone 5 56 - 9 - 4.6/2578=3, 243/3.0=1 H TYR 55 - HB3 LEU 86 lone 5 50 - 9 - 5706/3.0=1 H TYR 55 - HB2 LEU 86 lone 4 48 - 8 - 213/1.8=2, 5706/3.0=1 Peak 5783 from cnoeabs.peaks (8.39, 4.06, 55.02 ppm; 5.38 A): 4 out of 4 assignments used, quality = 0.92: H VAL 65 + HA ALA 63 OK 81 100 - 81 - 4.6/4691=31, 264/3.6=29...(9) H ARG 17 + HA ALA 63 OK 31 97 - 32 - 5779/3.0=8, 5785/2.1=8...(6) H GLY 21 + HA ALA 63 OK 26 100 - 26 - 935/3.6=9, 5785/2.1=7...(5) H GLY 18 + HA ALA 63 OK 20 95 - 21 - 5779/3.0=6, 5785/2.1=5...(5) Peak 5785 from cnoeabs.peaks (8.38, 1.49, 17.50 ppm; 5.43 A): 4 out of 5 assignments used, quality = 0.93: H VAL 65 + QB ALA 63 OK 79 100 - 79 - 264/3.6=30, 4.6/5786=27...(10) H ARG 17 + QB ALA 63 OK 35 100 - 35 - 5779/2.9=8, 5783/2.1=8...(7) H GLY 21 + QB ALA 63 OK 32 99 - 32 - 935/3.6=9, 5779/2.9=7...(7) H GLY 18 + QB ALA 63 OK 21 81 - 26 - 5779/2.9=6, 5783/2.1=5...(6) H ALA 16 - QB ALA 63 lone 5 68 - 7 - 18/4.9=2, 935/3.6=1 Peak 5786 from cnoeabs.peaks (8.56, 1.49, 17.50 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.59: H ARG 66 + QB ALA 63 OK 59 71 - 83 - 4691/2.1=46, 5018/3.6=26...(8) Peak 5787 from cnoeabs.peaks (8.82, 1.49, 17.50 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.82: H LEU 62 + QB ALA 63 OK 76 99 - 77 - 254/2.9=33, 5776/3.6=19...(11) H THR 37 + QB ALA 63 OK 27 100 - 27 - 254/2.9=12, 5788/3.6=8...(5) Peak 5789 from cnoeabs.peaks (8.58, 4.26, 57.87 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.90: H ARG 66 + HA LEU 64 OK 90 98 - 92 - 936/3.6=45, 5018/3.0=39...(15) Peak 5790 from cnoeabs.peaks (7.73, 4.25, 57.41 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.70: H ASN 42 + HA LYS 39 OK 62 92 - 67 - 4354=16, 5633/3.6=12...(11) H GLU 50 + HA LYS 39 OK 22 99 - 22 - 4508/3.6=6, 4.6/6081=5...(6) H MET 31 - HA LYS 39 lone 5 68 - 8 - Peak 5791 from cnoeabs.peaks (1.23, 1.70, 41.01 ppm; 5.59 A): 4 out of 5 assignments used, quality = 1.00: QG1 VAL 65 + HB3 LEU 64 OK 86 99 - 87 - 2664/4.4=27, 5799/4.0=16...(21) QG2 VAL 65 + HB3 LEU 64 OK 84 95 - 88 - 2669/4.4=27, 4715/4.0=26...(20) HG13 ILE 33 + HB3 LEU 64 OK 73 99 - 73 - 2.1/5026=24, ~5025=18...(15) HG13 ILE 40 + HB3 LEU 64 OK 47 99 - 47 - 737/4.4=7, 4700/1.8=6...(18) HG2 ARG 69 - HB3 LEU 64 OK 15 92 - 16 - 737/4.4=3, 4700/1.8=2...(5) Peak 5792 from cnoeabs.peaks (1.21, 1.54, 27.08 ppm; 4.20 A): 5 out of 24 assignments used, quality = 0.97: QG2 VAL 65 + HG LEU 64 OK 64 99 - 64 - 4715/4.8=13, 4724/2.1=12...(16) HG13 ILE 33 + HG LEU 64 OK 49 93 - 53 - 5030/2.1=9, ~5026=8...(14) HG LEU 52 + HG LEU 62 OK 48 61 - 78 - ~4680=26, ~5237=25...(17) HG LEU 52 + HG LEU 64 OK 44 97 - 45 - 4552/2.1=11, 2272/4.8=7...(13) QG1 VAL 65 + HG LEU 64 OK 39 65 - 59 - 3.2/5032=10, 4.0/268=10...(15) QG2 VAL 65 - HG LEU 62 OK 39 63 - 61 - 5002/2.1=11, 4722/4.3=10...(16) QG1 VAL 65 - HG LEU 62 OK 20 36 - 57 - ~5001=9, 5002/2.1=9...(15) HG13 ILE 40 - HG LEU 64 OK 20 68 - 29 - 5030/2.1=4, ~6103=3...(15) QG2 VAL 65 - HG3 ARG 23 poor 10 85 - 11 - 4.0/268=3, 3.2/5032=2 QG2 THR 15 - HG LEU 64 poor 9 93 - 10 - 5030/2.1=1, 1137/4.3=1 HG13 ILE 33 - HG LEU 62 poor 9 56 - 16 - 4999/4.3=3, 5002/2.1=3...(5) QG2 VAL 65 - HG2 ARG 82 lone 8 93 - 8 - 4.0/268=2, 3.2/5032=1 HG13 ILE 40 - HG LEU 62 poor 8 37 - 21 - 5002/2.1=3, 4999/4.3=3...(9) QG1 VAL 65 - HG3 ARG 23 lone 5 51 - 9 - 4.0/268=3, 3.2/5032=2 QG1 VAL 65 - HG2 ARG 82 lone 4 58 - 7 - 4.0/268=2, 3.2/5032=1 HG LEU 52 - HG3 ARG 23 lone 4 83 - 5 - HG13 ILE 33 - HG2 ARG 82 lone 3 85 - 4 - HG LEU 52 - HG2 ARG 82 lone 3 90 - 3 - HG13 ILE 33 - HG3 ARG 23 lone 3 77 - 4 - QG2 THR 15 - HG2 ARG 82 lone 3 85 - 3 - QG2 THR 15 - HG3 ARG 23 lone 2 77 - 3 - 3715/4.9=1 HG13 ILE 40 - HG3 ARG 23 lone 2 54 - 3 - QG2 THR 15 - HG LEU 62 lone 2 56 - 3 - HG13 ILE 40 - HG2 ARG 82 lone 2 60 - 3 - Peak 5793 from cnoeabs.peaks (3.62, 1.54, 27.08 ppm; 5.42 A): 4 out of 16 assignments used, quality = 0.95: HA VAL 65 + HG LEU 64 OK 84 93 - 90 - 5032=20, 3.0/268=17...(25) HA VAL 65 + HG LEU 62 OK 39 56 - 70 - ~5001=13, 5960/2.1=12...(17) HA ILE 40 + HG LEU 64 OK 29 90 - 32 - 5125/3.0=5, 4761/5242=3...(14) HD3 PRO 14 + HG LEU 64 OK 28 100 - 28 - 1090/3.0=2, ~2642=2...(14) HA ILE 40 - HG LEU 62 OK 17 54 - 31 - 5123/3.0=5, 5960/2.1=4...(11) HA ARG 69 - HG LEU 62 OK 15 59 - 26 - 5960/2.1=5, ~3910=4...(10) HA ARG 69 - HG LEU 64 OK 14 96 - 14 - ~5012=3, 4761/5242=2...(5) HA VAL 65 - HG3 ARG 23 OK 13 77 - 17 - 3.0/268=5, 5032=3...(6) HA VAL 65 - HG2 ARG 82 OK 13 85 - 15 - 3.0/268=4, 5032=3, ~267=1 HD3 PRO 14 - HG LEU 62 OK 10 66 - 16 - ~5957=6, 5960/2.1=3, ~5304=1 HA ILE 40 - HG3 ARG 23 lone 5 74 - 7 - HD3 PRO 14 - HG2 ARG 82 lone 5 95 - 5 - HD3 PRO 14 - HG3 ARG 23 lone 4 88 - 5 - HA ILE 40 - HG2 ARG 82 lone 4 82 - 5 - HA ARG 69 - HG3 ARG 23 lone 3 80 - 4 - HA ARG 69 - HG2 ARG 82 lone 3 88 - 3 - Peak 5794 from cnoeabs.peaks (3.96, 0.95, 23.35 ppm; 4.40 A): 5 out of 10 assignments used, quality = 0.97: HA ALA 28 + QD1 LEU 64 OK 62 100 - 63 - 4173/2.1=14, ~5162=11...(12) HA ARG 66 + QD1 LEU 64 OK 50 90 - 55 - 3.6/4741=12, 3.0/6102=7...(16) HA GLN 61 + QD1 LEU 64 OK 49 100 - 49 - 4504/2.1=7, 4941/4.4=7...(14) HA2 GLY 21 + QD1 LEU 64 OK 43 98 - 43 - 2.9/3919=7, 4384/2.1=5...(14) HA3 GLY 21 + QD1 LEU 64 OK 42 97 - 43 - 2.9/3919=7, 4384/2.1=5...(14) HA VAL 76 - QD1 LEU 64 OK 26 99 - 26 - 6044/3.1=4, 3.0/5012=3...(10) HA GLU 50 - QD1 LEU 64 OK 20 100 - 20 - 4941/4.4=5, 4504/2.1=4...(5) HA LYS 32 - QD1 LEU 64 OK 18 90 - 20 - ~5014=4, 3.0/5012=3...(6) HA2 GLY 72 - QD1 LEU 64 OK 16 100 - 16 - 4384/2.1=2, ~5842=2...(7) HA THR 37 - QD1 LEU 64 poor 9 71 - 13 - 5603/4.4=3, 4384/2.1=1 Peak 5797 from cnoeabs.peaks (7.96, 1.23, 22.65 ppm; 5.10 A): 3 out of 8 assignments used, quality = 0.92: H ARG 70 + QG1 VAL 65 OK 64 98 - 65 - 5829=14, 296/3.2=9...(16) H ARG 69 + QG1 VAL 65 OK 60 81 - 75 - 4.1/5964=13, 4710/3.2=10...(22) H ALA 63 + QG1 VAL 65 OK 42 90 - 46 - 3.6/4723=14, 5779/4.0=13...(5) H VAL 76 - QG1 VAL 65 OK 21 100 - 21 - 4710/3.2=3, 4709/4.0=3...(7) H LEU 29 - QG1 VAL 65 OK 21 97 - 22 - 4709/4.0=5, 3.6/4172=3...(5) H LYS 32 - QG1 VAL 65 OK 15 81 - 18 - 4.6/575=4, ~5244=4...(5) H GLY 72 - QG1 VAL 65 OK 11 60 - 19 - 5492/3.2=4, 15492/2665=2...(4) H ALA 30 - QG1 VAL 65 OK 10 81 - 13 - 4710/3.2=1, 4709/4.0=1 Peak 5798 from cnoeabs.peaks (7.43, 2.39, 31.50 ppm; 5.30 A): 4 out of 6 assignments used, quality = 0.93: H LEU 64 + HB VAL 65 OK 74 97 - 76 - 5018/4.4=28, 264/3.8=27...(7) H LEU 52 + HB VAL 65 OK 60 100 - 60 - 4.8/5963=19, 5799/2.1=16...(7) H LEU 64 + HG3 MET 11 OK 25 97 - 25 - 4.6/736=8, 4698=8...(6) H LEU 52 + HG3 MET 11 OK 15 100 - 15 - 4.8/5963=6, 5799/2666=2...(5) HE21 GLN 61 - HB VAL 65 lone 5 60 - 8 - 5.7/2183=3, 5801/4.4=1 HE21 GLN 61 - HG3 MET 11 lone 2 60 - 3 - Peak 5799 from cnoeabs.peaks (7.41, 1.23, 22.65 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.96: H LEU 64 + QG1 VAL 65 OK 82 100 - 82 - 5018/4.1=29, 264/4.0=26...(13) H LEU 52 + QG1 VAL 65 OK 77 95 - 81 - 4.8/4728=33, 4.8/5314=29...(9) H LYS 39 - QG1 VAL 65 OK 13 73 - 18 - 4.6/606=8, 264/4.0=4...(4) Peak 5802 from cnoeabs.peaks (7.93, 1.70, 28.91 ppm; 5.20 A): 3 out of 6 assignments used, quality = 0.96: H ASP 67 + HG3 ARG 66 OK 82 100 - 82 - 276/4.9=33, 3.6/2707=18...(16) H ARG 70 + HG3 ARG 66 OK 62 83 - 76 - 2.9/2844=10, 4.1/2709=9...(26) H LYS 32 + HG3 ARG 66 OK 36 99 - 37 - 91/2.8=6, 3927/1.8=5...(11) H LEU 29 - HG3 ARG 66 OK 22 85 - 26 - 3927/1.8=3, 937/4.9=3...(10) H VAL 76 - HG3 ARG 66 OK 12 65 - 19 - 3.0/2707=3, 3924/4.1=2...(6) H ILE 33 - HG3 ARG 66 OK 11 65 - 17 - 3.6/2707=4, 5181/2.8=2...(6) Peak 5811 from cnoeabs.peaks (8.59, 2.90, 41.70 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.86: H ARG 66 + HB2 ASP 67 OK 86 100 - 86 - 276/3.9=42, 5813/1.8=37...(7) Peak 5813 from cnoeabs.peaks (8.58, 2.84, 41.70 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.83: H ARG 66 + HB3 ASP 67 OK 83 99 - 84 - 276/3.9=43, 5811/1.8=42...(6) Peak 5814 from cnoeabs.peaks (8.61, 4.48, 57.73 ppm; 4.54 A): 3 out of 4 assignments used, quality = 0.79: H ARG 66 + HA ASP 67 OK 54 81 - 67 - 276/3.0=33, 5812/3.6=19...(11) H VAL 45 + HA ASP 46 OK 45 82 - 55 - 162/3.0=23, 4.0/4417=18...(5) H VAL 45 + HA ASP 67 OK 18 96 - 19 - 4.0/4417=7, 4.0/4416=5...(4) H ARG 66 - HA ASP 46 poor 7 66 - 10 - 4.6/748=4, 5811/2735=1 Peak 5815 from cnoeabs.peaks (8.10, 3.51, 65.41 ppm; 4.62 A): 3 out of 5 assignments used, quality = 0.89: H ARG 71 + HA ILE 68 OK 83 100 - 83 - 5389=50, 4.7/5845=22...(12) H LYS 75 + HA ILE 68 OK 23 96 - 24 - 5825/3.6=9, 4.0/4748=3...(7) H LYS 85 + HA ILE 68 OK 13 100 - 13 - 5825/3.6=4, 4.0/4748=2...(4) H THR 88 - HA ILE 68 poor 9 63 - 15 - 4.6/2742=5, 5900/3.0=2...(6) H ARG 26 - HA ILE 68 lone 6 63 - 9 - 2928/5985=2, 5397/5845=1 Peak 5816 from cnoeabs.peaks (7.98, 0.92, 28.80 ppm; 5.42 A): 4 out of 6 assignments used, quality = 1.00: H ARG 69 + HG12 ILE 68 OK 100 100 - 100 - 5.0=100 H GLY 72 + HG12 ILE 68 OK 85 99 - 85 - 5845/4.0=33, 5056/3.2=14...(18) H LYS 73 + HG12 ILE 68 OK 55 96 - 58 - 5264/3.2=10, 3.6/4794=10...(14) H ALA 63 + HG12 ILE 68 OK 48 99 - 48 - 259=7, 3939/2.1=5...(17) H VAL 76 - HG12 ILE 68 OK 28 71 - 39 - 940/5.0=5, 3939/2.1=4...(15) H ALA 30 - HG12 ILE 68 OK 26 100 - 26 - 4194/2.9=7, 3939/2.1=4...(6) Peak 5817 from cnoeabs.peaks (7.95, 1.92, 28.80 ppm; 5.27 A): 6 out of 6 assignments used, quality = 0.93: H ARG 70 + HG13 ILE 68 OK 55 100 - 55 - 5826/4.5=19, 940/5.0=14...(6) H ASP 67 + HG13 ILE 68 OK 52 81 - 64 - 938/4.5=22, 3.9/5975=14...(14) H VAL 76 + HG13 ILE 68 OK 33 99 - 34 - 940/5.0=9, 814/1.8=4...(12) H LEU 29 + HG13 ILE 68 OK 23 100 - 23 - 3.6/4176=10, 908/5.0=3...(4) H LYS 32 + HG13 ILE 68 OK 22 97 - 22 - 940/5.0=3, 91=3...(10) H ALA 63 + HG13 ILE 68 OK 21 68 - 31 - 3.0/4684=6, 259/1.8=4...(11) Peak 5821 from cnoeabs.peaks (0.81, 1.39, 29.46 ppm; 5.07 A): 3 out of 6 assignments used, quality = 0.97: QG1 VAL 41 + HB3 ARG 69 OK 83 97 - 86 - 4903/3.0=15, ~5253=14...(25) QG2 ILE 68 + HB3 ARG 69 OK 73 100 - 73 - 291/4.0=16, 4767/3.0=14...(25) QD1 ILE 68 + HB3 ARG 69 OK 43 68 - 63 - 4767/3.0=11, 294/4.0=9...(19) QD1 ILE 89 - HB3 ARG 69 OK 29 100 - 28 - 5274=5, 4767/3.0=3...(9) QD1 LEU 43 - HB3 ARG 69 OK 16 76 - 21 - 5831/4.3=3, 4703/3.0=3...(8) QD2 LEU 86 - HB3 ARG 69 lone 6 68 - 9 - 5831/4.3=3, 291/4.0=1 Peak 5822 from cnoeabs.peaks (1.92, 3.63, 59.20 ppm; 4.60 A): 4 out of 9 assignments used, quality = 0.99: HG13 ILE 68 + HA ARG 69 OK 82 100 - 82 - 293/2.9=13, 2.1/4761=12...(23) HG12 ILE 40 + HA ARG 69 OK 72 92 - 78 - 1944=12, 1.8/1951=12...(22) HB VAL 41 + HA ARG 69 OK 70 97 - 72 - 2.1/5130=14, 2.1/4767=13...(22) HB ILE 68 + HA ARG 69 OK 60 76 - 80 - 2.1/4767=15, 3935/2.9=11...(22) HB3 ARG 66 - HA ARG 69 OK 33 78 - 43 - 4.0/272=7, ~4733=6...(12) HB2 MET 31 - HA ARG 69 OK 11 90 - 12 - 3772/3.6=3, 4.7/3940=3 HB2 GLU 19 - HA ARG 69 lone 7 97 - 7 - 293/2.9=1 HB3 GLU 87 - HA ARG 69 lone 6 96 - 6 - 293/2.9=1, ~5820=1 HB2 GLN 91 - HA ARG 69 lone 2 76 - 3 - Peak 5823 from cnoeabs.peaks (7.06, 2.03, 42.48 ppm; 4.78 A): 4 out of 4 assignments used, quality = 0.94: QD PHE 48 + HD3 ARG 69 OK 72 100 - 72 - 2.2/4789=20, ~4784=18...(14) QD PHE 48 + HD2 ARG 69 OK 72 100 - 72 - 2.2/4789=20, ~4784=18...(14) QD TYR 81 + HD3 ARG 69 OK 14 92 - 15 - 4685/3.0=3, 2.2/4681=2...(6) QD TYR 81 + HD2 ARG 69 OK 14 92 - 15 - 4685/3.0=3, 2.2/4681=2...(6) Peak 5824 from cnoeabs.peaks (7.97, 2.03, 42.48 ppm; 4.97 A): 4 out of 18 assignments used, quality = 0.99: H ARG 69 + HD2 ARG 69 OK 81 96 - 85 - 6.3=49, 762/3.0=14...(14) H ARG 69 + HD3 ARG 69 OK 81 96 - 85 - 6.3=49, 762/3.0=14...(14) H VAL 76 + HD2 ARG 69 OK 61 97 - 64 - 813/1.8=8, 3944/3.0=8...(21) H VAL 76 + HD3 ARG 69 OK 61 97 - 64 - 813/1.8=8, 3944/3.0=8...(21) H ARG 70 - HD3 ARG 69 OK 45 87 - 52 - 297/3.9=10, 298/3.9=10...(10) H ARG 70 - HD2 ARG 69 OK 45 87 - 52 - 297/3.9=10, 298/3.9=10...(10) H GLY 72 - HD2 ARG 69 OK 42 83 - 51 - 15492/4.6=23, 2816/3.0=8...(10) H GLY 72 - HD3 ARG 69 OK 42 83 - 51 - 15492/4.6=23, 2816/3.0=8...(10) H LYS 73 - HD3 ARG 69 OK 22 68 - 32 - 2816/3.0=5, 2800/3.9=5...(11) H LYS 73 - HD2 ARG 69 OK 22 68 - 32 - 2816/3.0=5, 2800/3.9=5...(11) H ALA 63 - HD2 ARG 69 OK 16 99 - 16 - 2816/3.0=2, 2808/3.0=2...(8) H ALA 63 - HD3 ARG 69 OK 16 99 - 16 - 2816/3.0=2, 2808/3.0=2...(8) H LEU 29 - HD3 ARG 69 OK 14 85 - 16 - 3944/3.0=2, 3943/3.0=2...(6) H LEU 29 - HD2 ARG 69 OK 14 85 - 16 - 3944/3.0=2, 3943/3.0=2...(6) H LYS 32 - HD2 ARG 69 OK 13 57 - 22 - 3944/3.0=3, 3943/3.0=3...(9) H LYS 32 - HD3 ARG 69 OK 13 57 - 22 - 3944/3.0=3, 3943/3.0=3...(9) H ALA 30 - HD2 ARG 69 OK 11 96 - 11 - 2792/3.9=2, 2800/3.9=2...(5) H ALA 30 - HD3 ARG 69 OK 11 96 - 11 - 2792/3.9=2, 2800/3.9=2...(5) Peak 5832 from cnoeabs.peaks (0.88, 3.20, 43.49 ppm; 4.51 A): 14 out of 36 assignments used, quality = 0.88: QD1 LEU 29 + HD3 ARG 70 OK 18 100 - 18 - 5961=3, 5961/1.8=2...(5) QD1 LEU 29 + HD2 ARG 70 OK 18 100 - 18 - 5961=3, 5961/1.8=2...(5) QD1 LEU 86 + HD3 ARG 70 OK 17 97 - 17 - 5961=2, 5961/1.8=2, 1506/3.0=1 QD1 LEU 86 + HD2 ARG 70 OK 17 97 - 17 - 5961=2, 5961/1.8=2, 1506/3.0=1 QD1 LEU 29 + HD2 ARG 66 OK 16 92 - 17 - 5961=3, 5961/1.8=2, 5373/3.0=1 QD1 LEU 29 + HD3 ARG 66 OK 15 88 - 17 - 5961=3, 5961/1.8=2, 5373/3.0=1 QD1 LEU 62 + HD3 ARG 70 OK 14 100 - 14 - 5961=2, 5961/1.8=2...(4) QD1 LEU 62 + HD2 ARG 70 OK 14 100 - 14 - 5961=2, 5961/1.8=2...(4) QG2 VAL 90 + HD2 ARG 66 OK 12 69 - 17 - ~5373=2, 5373/3.0=2...(6) QG1 VAL 90 + HD2 ARG 66 OK 12 66 - 17 - ~5373=2, 5373/3.0=2...(6) QD1 LEU 62 + HD2 ARG 66 OK 12 91 - 13 - ~5958=2, 2.1/5958=2...(4) QG2 VAL 90 + HD3 ARG 66 OK 11 65 - 17 - ~5373=2, 5373/3.0=2...(6) QD1 LEU 62 + HD3 ARG 66 OK 11 88 - 13 - 2.1/5958=2, ~5958=2...(4) QG1 VAL 90 + HD3 ARG 66 OK 11 63 - 17 - ~5373=2, 5373/3.0=2...(6) QD1 LEU 62 - HD3 ARG 71 poor 8 58 - 14 - 5961=2, 2.1/5958=2...(5) QD1 LEU 62 - HD3 ARG 26 poor 7 29 - 25 - ~5958=4, 2.1/5958=4...(8) QD1 LEU 86 - HD2 ARG 66 lone 6 87 - 7 - QD1 LEU 86 - HD3 ARG 66 lone 6 83 - 7 - QD1 LEU 29 - HD3 ARG 71 lone 6 59 - 10 - 5367/5.8=2, 4805/4.7=2, 5961=1 QD1 LEU 86 - HD3 ARG 71 lone 4 55 - 8 - 5961=1 QD1 LEU 29 - HD3 ARG 26 poor 4 29 - 15 - 5516/6.1=3, 4805/4.8=2...(4) HG LEU 51 - HD3 ARG 70 lone 3 93 - 3 - HG LEU 51 - HD2 ARG 70 lone 3 93 - 3 - QD1 LEU 86 - HD3 ARG 26 poor 3 27 - 11 - 5516/6.1=2, 5961=1 HG LEU 51 - HD2 ARG 66 lone 3 82 - 3 - HG LEU 51 - HD3 ARG 66 lone 2 78 - 3 - QG2 VAL 90 - HD2 ARG 70 lone 2 80 - 2 - QG2 VAL 90 - HD3 ARG 70 lone 2 81 - 2 - QG1 VAL 90 - HD2 ARG 70 lone 2 78 - 2 - QG1 VAL 90 - HD3 ARG 70 lone 2 78 - 2 - HG LEU 51 - HD3 ARG 71 lone 1 50 - 2 - QG2 VAL 90 - HD3 ARG 71 lone 1 41 - 2 - QG1 VAL 90 - HD3 ARG 71 lone 1 39 - 2 - QG2 VAL 90 - HD3 ARG 26 lone 1 19 - 4 - QG1 VAL 90 - HD3 ARG 26 lone 1 19 - 4 - HG LEU 51 - HD3 ARG 26 lone 1 24 - 3 - Peak 5836 from cnoeabs.peaks (2.79, 4.08, 58.40 ppm; 4.26 A): 6 out of 9 assignments used, quality = 0.73: HB3 ASN 74 + HA ARG 71 OK 27 93 - 29 - 3.5/6078=8, 1.8/6010=8...(9) HB2 ASN 74 + HA ARG 71 OK 26 90 - 29 - 3.5/6078=8, 6010=8...(9) HB3 ASN 74 + HA ARG 26 OK 20 80 - 26 - 1.8/6010=7, 3.5/6078=6...(7) HB2 ASN 74 + HA ARG 26 OK 20 77 - 26 - 6010=6, 3.5/6078=6...(7) HB3 ASN 74 + HA GLU 25 OK 12 83 - 14 - 3.5/6078=4, 1.8/6010=4...(4) HB2 ASN 74 + HA GLU 25 OK 11 80 - 14 - 3.5/6078=4, 6010=4...(4) HB2 TYR 55 - HA ARG 71 lone 2 99 - 2 - HB2 TYR 55 - HA ARG 26 lone 2 88 - 2 - HB2 TYR 55 - HA GLU 25 lone 1 91 - 1 - Peak 5844 from cnoeabs.peaks (1.82, 3.96, 46.02 ppm; 4.62 A): 5 out of 9 assignments used, quality = 0.88: HB2 ARG 69 + HA2 GLY 72 OK 61 89 - 69 - ~15492=18, ~5492=10...(18) HB2 LYS 73 + HA2 GLY 72 OK 44 100 - 45 - 787/3.6=17, 6036/1.8=6...(12) HB2 LYS 75 + HA2 GLY 72 OK 20 76 - 27 - 4.0/6034=7, 787/3.6=4...(10) HB ILE 89 + HA2 GLY 72 OK 17 100 - 17 - 787/3.6=6, 6036/1.8=3...(5) HB2 LYS 85 + HA2 GLY 72 OK 13 89 - 15 - 4.0/6034=4, 787/3.6=4...(4) HB3 ARG 84 - HA2 GLY 72 lone 9 89 - 10 - 4.6/6034=4, 787/3.6=2 HB2 ARG 17 - HA2 GLY 72 lone 4 83 - 5 - HB2 ARG 23 - HA2 GLY 72 lone 4 65 - 6 - HB3 ARG 23 - HA2 GLY 72 lone 4 63 - 6 - Peak 5846 from cnoeabs.peaks (0.91, 1.78, 32.45 ppm; 4.46 A): 4 out of 60 assignments used, quality = 0.97: HG LEU 51 + HB3 LYS 39 OK 62 85 - 73 - ~5204=18, ~6087=17...(21) QG2 VAL 76 + HB3 LYS 73 OK 61 97 - 63 - ~16037=21, ~15432=20...(19) QG1 VAL 76 + HB3 LYS 73 OK 61 97 - 63 - ~16037=21, ~15432=20...(19) QG2 VAL 41 + HB3 LYS 73 OK 41 71 - 58 - ~4904=12, ~5626=9...(16) QG2 ILE 40 - HB3 LYS 39 OK 39 81 - 48 - 1936/4.4=14, 4302/2.9=5...(13) QG2 VAL 41 - HB3 LYS 39 OK 31 69 - 44 - 4330/4.4=11, 4337/3.0=6...(14) QG2 VAL 76 - HB3 LYS 75 OK 30 86 - 34 - 814/4.6=10, ~5856=5...(13) QG1 VAL 76 - HB3 LYS 75 OK 30 86 - 34 - 814/4.6=10, ~5856=5...(13) HG12 ILE 68 - HB3 LYS 39 OK 25 95 - 26 - 604/4.4=4, ~4759=4...(10) QD1 LEU 86 - HB3 LYS 39 OK 23 77 - 31 - 5119/2.9=4, ~5206=4...(15) HG LEU 51 - HB3 LYS 75 OK 22 76 - 29 - 2.1/5205=6, ~5204=6...(9) HG12 ILE 68 - HB3 LYS 73 OK 21 97 - 22 - 5816/4.0=3, 4.0/4748=3...(11) QG2 ILE 40 - HB3 LYS 75 OK 21 72 - 30 - 5212/3.0=3, 4.0/3807=2...(16) HG12 ILE 68 - HB3 LYS 75 OK 21 86 - 24 - 4.0/4748=3, ~5974=3...(12) QG2 VAL 41 - HB3 LYS 75 OK 19 60 - 32 - 2.1/4346=4, 4337/3.0=3...(16) HG LEU 51 - HB3 LYS 73 OK 18 87 - 21 - 2.1/5205=5, 5255/2.9=3...(7) QD2 LEU 62 - HB3 LYS 39 OK 17 81 - 20 - 5119/2.9=2, 604/4.4=2...(5) QD2 LEU 62 - HB3 LYS 73 OK 16 83 - 19 - 5005/2.9=2, 5962/4.3=2...(5) QG2 ILE 40 - HB2 LYS 13 OK 16 74 - 21 - ~4819=3, 1937/4.8=2...(8) QG2 ILE 40 - HB3 LYS 73 OK 13 83 - 16 - 4303/1.8=2, 4326/4.0=2...(5) QG2 VAL 76 - HB3 LYS 39 OK 12 95 - 12 - 3.9/341=2, 5119/2.9=1...(4) QG1 VAL 76 - HB3 LYS 39 OK 12 95 - 12 - 3.9/341=2, 5119/2.9=1...(4) QD1 LEU 86 - HB3 LYS 73 OK 11 78 - 14 - 5255/2.9=2, 5257/2.9=1 HG12 ILE 68 - HB2 LYS 13 lone 7 89 - 8 - ~5251=1, 5.0/760=1 QD2 LEU 62 - HB2 LYS 13 lone 6 74 - 9 - 5957/4.8=3 HG LEU 51 - HB2 LYS 13 lone 6 78 - 8 - 2.1/5205=3 QD1 LEU 86 - HB2 LYS 85 poor 6 45 - 14 - 4.8/386=6 HG12 ILE 68 - HB2 LYS 83 lone 6 91 - 6 - HG12 ILE 68 - HB2 LYS 85 lone 6 60 - 9 - 4.0/4748=1, 5.0/760=1 QG1 VAL 90 - HB3 LYS 73 lone 5 97 - 6 - QG2 VAL 90 - HB3 LYS 73 lone 5 97 - 6 - QG2 VAL 41 - HB2 LYS 13 lone 5 62 - 9 - 2.1/4346=1 QG2 ILE 40 - HB2 LYS 83 lone 5 76 - 7 - QG2 ILE 40 - HB2 LYS 85 poor 5 48 - 10 - 4303=1 QD2 LEU 62 - HB3 LYS 75 lone 5 72 - 7 - 814/4.6=1 QD1 LEU 86 - HB3 LYS 75 lone 5 67 - 7 - QG2 VAL 76 - HB2 LYS 83 lone 5 91 - 5 - 3.9/341=1 QG1 VAL 76 - HB2 LYS 83 lone 5 91 - 5 - 3.9/341=1 QG1 VAL 76 - HB2 LYS 85 lone 5 60 - 8 - 3.9/341=1 QG2 VAL 41 - HB2 LYS 83 lone 5 64 - 7 - 2.1/4346=1 QG2 VAL 76 - HB2 LYS 85 lone 5 60 - 8 - 3.9/341=1 QD1 LEU 86 - HB2 LYS 13 lone 5 69 - 6 - 4.8/386=1 QG1 VAL 76 - HB2 LYS 13 lone 4 89 - 5 - 3.9/341=1 QG2 VAL 76 - HB2 LYS 13 lone 4 89 - 5 - 3.9/341=1 QG1 VAL 90 - HB3 LYS 75 lone 3 87 - 3 - QG2 VAL 90 - HB3 LYS 75 lone 3 86 - 3 - QG1 VAL 90 - HB3 LYS 39 lone 3 96 - 3 - QG1 VAL 90 - HB2 LYS 13 lone 3 90 - 3 - QG2 VAL 90 - HB3 LYS 39 lone 3 95 - 3 - QG2 VAL 90 - HB2 LYS 13 lone 3 89 - 3 - QD1 LEU 86 - HB2 LYS 83 lone 3 72 - 4 - QG2 VAL 41 - HB2 LYS 85 lone 3 40 - 7 - QG1 VAL 90 - HB2 LYS 85 lone 3 61 - 4 - QG2 VAL 90 - HB2 LYS 85 lone 3 60 - 4 - HG LEU 51 - HB2 LYS 83 lone 2 80 - 3 - QD2 LEU 62 - HB2 LYS 85 lone 2 48 - 5 - QD2 LEU 62 - HB2 LYS 83 lone 2 76 - 3 - HG LEU 51 - HB2 LYS 85 lone 2 51 - 4 - QG1 VAL 90 - HB2 LYS 83 lone 2 92 - 2 - QG2 VAL 90 - HB2 LYS 83 lone 2 91 - 2 - Peak 5852 from cnoeabs.peaks (2.33, 3.97, 62.83 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.88: HG3 GLN 79 + HA VAL 76 OK 65 100 - 66 - 3.0/16044=36, 5864=12...(12) HG2 GLN 79 + HA VAL 76 OK 65 100 - 66 - 3.0/16044=36, 5864=12...(12) HG3 GLU 59 - HA VAL 76 lone 2 99 - 2 - Peak 5853 from cnoeabs.peaks (1.83, 3.97, 62.83 ppm; 5.31 A): 3 out of 14 assignments used, quality = 0.97: HB2 LYS 73 + HA VAL 76 OK 79 99 - 80 - ~16037=24, ~15432=23...(27) HB2 LYS 75 + HA VAL 76 OK 69 93 - 74 - 340/3.0=19, ~3975=15...(18) HB2 ARG 69 + HA VAL 76 OK 58 68 - 85 - 1.8/4766=11, 5047=9...(34) HB2 LYS 39 - HA VAL 76 OK 20 68 - 30 - 3068/4.7=6, 340/3.0=5...(8) HB2 ARG 71 - HA VAL 76 OK 12 73 - 17 - 4.4/783=4, 340/3.0=2...(4) HB3 ARG 71 - HA VAL 76 OK 12 71 - 17 - 4.4/783=4, 340/3.0=2...(4) HB2 ARG 27 - HA VAL 76 OK 10 73 - 14 - 4.3/3984=5, 340/3.0=2...(4) HB2 LYS 85 - HA VAL 76 poor 10 68 - 14 - 3.0/5856=2, ~339=1...(4) HB3 ARG 27 - HA VAL 76 poor 10 71 - 14 - 4.3/3984=5, 340/3.0=2...(4) HB3 ARG 84 - HA VAL 76 poor 8 68 - 12 - ~5431=2, 4.0/3984=2...(4) HB ILE 89 - HA VAL 76 lone 8 100 - 8 - 340/3.0=1, 3068/4.7=1 HB2 ARG 23 - HA VAL 76 lone 6 87 - 6 - 340/3.0=1 HB3 ARG 23 - HA VAL 76 lone 6 85 - 6 - 340/3.0=1 HB2 ARG 17 - HA VAL 76 lone 3 97 - 3 - Peak 5854 from cnoeabs.peaks (1.37, 0.92, 20.67 ppm; 3.97 A): 6 out of 48 assignments used, quality = 0.99: HG3 ARG 69 + QG2 VAL 76 OK 61 100 - 61 - 3944/3.9=6, 4778/2.1=5...(32) HG3 ARG 69 + QG1 VAL 76 OK 61 99 - 61 - 3944/3.9=6, 4778/2.1=5...(32) QB ALA 77 + QG2 VAL 76 OK 61 100 - 61 - 2.9/351=13, ~350=9...(14) QB ALA 77 + QG1 VAL 76 OK 60 100 - 61 - 2.9/351=13, ~350=9...(14) HB3 ARG 69 + QG2 VAL 76 OK 48 78 - 61 - 1.8/4773=6, 4774=5...(31) HB3 ARG 69 + QG1 VAL 76 OK 47 77 - 61 - 1.8/4773=6, 4774=5...(31) QB ALA 78 - QG2 VAL 76 OK 31 92 - 34 - 2.9/5861=8, ~5861=5...(13) HG3 LYS 73 - QG2 VAL 76 OK 31 92 - 34 - 3.8/5430=4, 2.9/5261=3...(16) QB ALA 78 - QG1 VAL 76 OK 31 91 - 34 - 2.9/5861=8, ~5861=5...(13) HG3 LYS 73 - QG1 VAL 76 OK 30 91 - 34 - 3.8/5430=4, 2.9/5261=3...(16) HG2 LYS 75 - QG2 VAL 76 OK 30 89 - 34 - 4.9/815=7, 5435/3.2=3...(15) HG3 LYS 75 - QG2 VAL 76 OK 30 89 - 34 - 4.9/815=7, 5435/3.2=3...(15) HG3 LYS 75 - QG1 VAL 76 OK 29 88 - 34 - 4.9/815=7, 5435/3.2=3...(15) HG2 LYS 75 - QG1 VAL 76 OK 29 88 - 34 - 4.9/815=7, 5435/3.2=3...(15) HG2 LYS 85 - QG2 VAL 76 lone 7 100 - 7 - HG2 LYS 85 - QG1 VAL 76 lone 7 99 - 7 - QB ALA 53 - QG2 VAL 76 lone 7 83 - 8 - 4962/3.2=2, 5699/2.1=2 QB ALA 53 - QG1 VAL 76 lone 7 82 - 8 - 4962/3.2=2, 5699/2.1=2 QB ALA 20 - QG2 VAL 76 lone 5 100 - 5 - QB ALA 20 - QG1 VAL 76 lone 5 99 - 5 - HG3 ARG 69 - QG1 VAL 90 lone 5 74 - 7 - QB ALA 77 - QG1 VAL 90 lone 5 74 - 6 - HG3 ARG 69 - QG2 VAL 90 lone 5 71 - 6 - QB ALA 77 - QG2 VAL 90 lone 5 72 - 6 - HG2 LYS 83 - QG2 VAL 76 lone 4 100 - 4 - HG2 LYS 83 - QG1 VAL 76 lone 4 99 - 4 - HB3 ARG 69 - QG1 VAL 90 lone 4 51 - 7 - HB3 ARG 69 - QG2 VAL 90 lone 3 49 - 7 - HG3 LYS 73 - QG1 VAL 90 lone 3 63 - 4 - QB ALA 78 - QG1 VAL 90 lone 3 63 - 4 - HG3 LYS 73 - QG2 VAL 90 lone 3 61 - 4 - QB ALA 78 - QG2 VAL 90 lone 2 61 - 4 - HG2 LYS 85 - QG1 VAL 90 lone 2 73 - 3 - HG3 LYS 75 - QG1 VAL 90 lone 2 60 - 4 - HG2 LYS 75 - QG1 VAL 90 lone 2 60 - 4 - HG2 LYS 85 - QG2 VAL 90 lone 2 71 - 3 - HG3 LYS 75 - QG2 VAL 90 lone 2 58 - 3 - HG2 LYS 75 - QG2 VAL 90 lone 2 58 - 3 - QB ALA 16 - QG2 VAL 76 lone 2 95 - 2 - QB ALA 16 - QG1 VAL 76 lone 2 94 - 2 - QB ALA 20 - QG1 VAL 90 lone 1 73 - 1 - HG2 LYS 83 - QG1 VAL 90 lone 1 74 - 1 - QB ALA 20 - QG2 VAL 90 lone 1 71 - 1 - HG2 LYS 83 - QG2 VAL 90 lone 1 71 - 1 - QB ALA 53 - QG1 VAL 90 lone 1 55 - 1 - QB ALA 53 - QG2 VAL 90 lone 1 53 - 1 - QB ALA 16 - QG1 VAL 90 lone 1 66 - 1 - QB ALA 16 - QG2 VAL 90 lone 1 63 - 1 - Peak 5856 from cnoeabs.peaks (4.23, 3.97, 62.83 ppm; 4.39 A): 2 out of 12 assignments used, quality = 0.96: HA LYS 75 + HA VAL 76 OK 89 97 - 92 - 4.7=80, 3975/3.0=22...(15) HA ALA 77 + HA VAL 76 OK 67 100 - 67 - 3.0/349=26, ~5411=9...(13) HA ALA 78 - HA VAL 76 OK 20 63 - 32 - 3.6/3984=8, 2.1/4962=6...(9) HA LYS 39 - HA VAL 76 OK 16 90 - 18 - 339/3.0=4, ~340=2...(5) HA LEU 64 - HA VAL 76 OK 15 68 - 21 - 3.0/6044=4, 339/3.0=3...(8) HA LYS 85 - HA VAL 76 OK 11 100 - 11 - 339/3.0=2, 817/3.6=1, 2.9/5851=1 HA LYS 83 - HA VAL 76 lone 8 98 - 8 - 339/3.0=2, 3.6/3984=1, 817/3.6=1 HB THR 37 - HA VAL 76 lone 8 97 - 8 - 4882/3.2=1, 4882/3.2=1 HA THR 15 - HA VAL 76 lone 6 96 - 6 - 1128/3.6=1 HA ALA 20 - HA VAL 76 lone 4 65 - 7 - HA GLU 19 - HA VAL 76 lone 4 76 - 5 - HA ALA 12 - HA VAL 76 lone 3 73 - 4 - Peak 5859 from cnoeabs.peaks (2.70, 4.23, 52.70 ppm; 4.14 A): 2 out of 12 assignments used, quality = 0.65: * HB2 ASN 80 + HA ALA 77 OK 58 100 - 59 - 1.8/6046=22, 5869=14...(10) HB2 ASN 80 + HA ALA 78 OK 16 54 - 29 - 1.8/6046=5, 5869=5...(10) HB2 ASN 80 - HA ALA 20 lone 3 51 - 5 - HD2 PRO 34 - HA ALA 77 lone 2 83 - 2 - HB2 ASP 46 - HA ALA 77 lone 1 100 - 1 - HB3 ASN 49 - HA ALA 77 lone 1 71 - 1 - HB2 ASP 46 - HA ALA 78 lone 1 54 - 1 - HD2 PRO 34 - HA ALA 78 lone 1 39 - 1 - HB2 ASP 46 - HA ALA 20 lone 1 51 - 1 - HD2 PRO 34 - HA ALA 20 lone 0 36 - 1 - HB3 ASN 49 - HA ALA 20 lone 0 30 - 1 - HB3 ASN 49 - HA ALA 78 lone 0 32 - 1 - Peak 5862 from cnoeabs.peaks (3.03, 4.21, 52.88 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.68: * HB2 TYR 81 + HA ALA 78 OK 64 100 - 64 - 5458=23, 2.5/6048=22...(7) HB2 TYR 81 + HA ALA 77 OK 11 57 - 20 - 5458=4, 3.9/5882=4...(5) HD2 ARG 54 - HA ALA 78 lone 5 100 - 5 - 4676/6048=2 HD3 ARG 54 - HA ALA 78 lone 5 100 - 5 - 4676/6048=2 HD3 ARG 54 - HA ALA 77 lone 1 56 - 2 - HD2 ARG 54 - HA ALA 77 lone 1 56 - 2 - Peak 5864 from cnoeabs.peaks (3.96, 2.33, 33.49 ppm; 4.92 A): 2 out of 20 assignments used, quality = 0.95: HA VAL 76 + HG3 GLN 79 OK 77 100 - 77 - 16044/3.0=39, 5852=25...(12) HA VAL 76 + HG2 GLN 79 OK 77 100 - 77 - 16044/3.0=39, 5852=25...(12) HA ARG 66 - HG2 GLN 79 OK 19 97 - 19 - 6011/3.0=4, ~5038=3...(5) HA ARG 66 - HG3 GLN 79 OK 19 97 - 19 - 6011/3.0=4, ~5038=3...(5) HA GLN 61 - HG3 GLN 79 lone 9 100 - 8 - 6011/3.0=2, 5232/3.0=1 HA GLN 61 - HG2 GLN 79 lone 9 100 - 8 - 6011/3.0=2, 5232/3.0=1 HA ALA 28 - HG2 GLN 79 lone 7 99 - 7 - 6011/3.0=1 HA ALA 28 - HG3 GLN 79 lone 7 99 - 7 - 6011/3.0=1 HA GLU 50 - HG2 GLN 79 lone 4 100 - 4 - HA GLU 50 - HG3 GLN 79 lone 4 100 - 4 - HA2 GLY 21 - HG3 GLN 79 lone 4 93 - 4 - HA2 GLY 21 - HG2 GLN 79 lone 4 93 - 4 - HA3 GLY 21 - HG3 GLN 79 lone 4 92 - 4 - HA3 GLY 21 - HG2 GLN 79 lone 4 92 - 4 - HA2 GLY 72 - HG3 GLN 79 lone 4 100 - 4 - HA2 GLY 72 - HG2 GLN 79 lone 4 100 - 4 - HA LYS 32 - HG3 GLN 79 lone 3 97 - 3 - HA LYS 32 - HG2 GLN 79 lone 3 97 - 3 - HA THR 37 - HG2 GLN 79 lone 1 57 - 2 - HA THR 37 - HG3 GLN 79 lone 1 57 - 2 - Peak 5865 from cnoeabs.peaks (0.92, 2.33, 33.49 ppm; 5.28 A): 4 out of 22 assignments used, quality = 0.99: QG2 VAL 76 + HG3 GLN 79 OK 68 99 - 69 - ~16044=23, 3.2/5852=19...(15) QG2 VAL 76 + HG2 GLN 79 OK 68 99 - 69 - ~16044=23, 3.2/5852=19...(15) QG1 VAL 76 + HG2 GLN 79 OK 68 99 - 69 - ~16044=23, 3.2/5852=19...(15) QG1 VAL 76 + HG3 GLN 79 OK 68 99 - 69 - ~16044=23, 3.2/5852=19...(15) QG1 VAL 90 - HG3 GLN 79 lone 6 92 - 7 - QG1 VAL 90 - HG2 GLN 79 lone 6 92 - 7 - QG2 VAL 90 - HG2 GLN 79 lone 6 90 - 6 - QG2 VAL 90 - HG3 GLN 79 lone 6 90 - 6 - HG12 ILE 68 - HG2 GLN 79 lone 4 99 - 4 - HG12 ILE 68 - HG3 GLN 79 lone 4 99 - 4 - QD2 LEU 62 - HG2 GLN 79 lone 4 92 - 4 - QD2 LEU 62 - HG3 GLN 79 lone 4 92 - 4 - QG2 VAL 41 - HG3 GLN 79 lone 3 83 - 4 - QG2 VAL 41 - HG2 GLN 79 lone 3 83 - 4 - QD2 LEU 43 - HG2 GLN 79 lone 3 57 - 5 - QD2 LEU 43 - HG3 GLN 79 lone 3 57 - 5 - QG2 ILE 40 - HG3 GLN 79 lone 3 92 - 3 - QG2 ILE 40 - HG2 GLN 79 lone 3 92 - 3 - HG LEU 51 - HG3 GLN 79 lone 2 76 - 2 - HG LEU 51 - HG2 GLN 79 lone 2 76 - 2 - QD1 LEU 86 - HG2 GLN 79 lone 2 65 - 2 - QD1 LEU 86 - HG3 GLN 79 lone 2 65 - 2 - Peak 5866 from cnoeabs.peaks (6.86, 2.33, 33.49 ppm; 5.38 A): 2 out of 4 assignments used, quality = 1.00: HE22 GLN 79 + HG2 GLN 79 OK 100 100 - 100 - 3.5=100 HE22 GLN 79 + HG3 GLN 79 OK 100 100 - 100 - 3.5=100 HD21 ASN 49 - HG2 GLN 79 OK 44 100 - 44 - 5267/3.5=7, ~440=7...(9) HD21 ASN 49 - HG3 GLN 79 OK 44 100 - 44 - 5267/3.5=7, ~440=7...(9) Peak 5867 from cnoeabs.peaks (8.21, 1.97, 28.98 ppm; 4.57 A): 2 out of 16 assignments used, quality = 1.00: H GLN 79 + HB2 GLN 79 OK 100 100 - 100 - 4.0=100 H GLN 79 + HB3 GLN 79 OK 63 63 - 100 - 4.0=100 H ALA 77 - HB2 GLN 79 OK 43 97 - 44 - 3.6/16044=31, 5445/3.0=6...(7) H ALA 77 - HB3 GLN 79 OK 13 57 - 23 - 5445/3.0=6, 3.6/6011=6...(7) H ALA 28 - HB2 GLN 79 lone 8 100 - 8 - 3984/16044=2, 3.0/6011=1 H THR 15 - HB2 GLN 79 lone 8 97 - 8 - 5906/1.8=2 H ARG 84 - HB2 GLN 79 lone 6 90 - 7 - 5445/3.0=2 H GLU 25 - HB2 GLN 79 lone 5 93 - 5 - 524/3.0=1, 524/3.0=1 H THR 15 - HB3 GLN 79 lone 5 57 - 8 - 5906=1, 5906/1.8=1, 3.6/1097=1 H SER 22 - HB2 GLN 79 lone 4 100 - 4 - H ALA 28 - HB3 GLN 79 lone 4 63 - 6 - 5445/3.0=1 H ARG 84 - HB3 GLN 79 lone 3 51 - 6 - 5445/3.0=2 H GLU 25 - HB3 GLN 79 lone 3 54 - 5 - 524/3.0=1, 524/3.0=1 H SER 22 - HB3 GLN 79 lone 2 62 - 3 - H ALA 12 - HB2 GLN 79 lone 2 73 - 2 - H ALA 12 - HB3 GLN 79 lone 1 39 - 2 - Peak 5868 from cnoeabs.peaks (7.08, 4.20, 56.12 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.67: QD TYR 81 + HA GLN 79 OK 47 99 - 48 - 4685/5.0=11, 4675=10...(8) QD TYR 81 + HA ARG 82 OK 38 70 - 54 - 4673/3.0=20, 4675=12...(11) QD PHE 48 - HA ARG 82 poor 6 56 - 11 - 6079/3.0=7, 2157/4.9=1 QD PHE 48 - HA GLN 79 lone 4 85 - 5 - Peak 5869 from cnoeabs.peaks (4.23, 2.70, 38.61 ppm; 4.76 A): 5 out of 11 assignments used, quality = 0.93: * HA ALA 77 + HB2 ASN 80 OK 81 100 - 81 - 15859=50, 6046/1.8=28...(10) HA ALA 78 + HB2 ASN 80 OK 29 73 - 39 - 5859=9, 5882/4.4=7...(11) HA LYS 83 + HB2 ASN 80 OK 28 95 - 29 - ~6056=12, 6154/3.8=7...(6) HA LYS 75 + HB2 ASN 80 OK 16 93 - 17 - ~333=3, ~3972=3...(8) HA LYS 85 + HB2 ASN 80 OK 16 100 - 16 - 6154/3.8=4, ~6055=3...(5) HA LYS 39 - HB2 ASN 80 lone 5 83 - 6 - 5202/1.8=1 HB THR 37 - HB2 ASN 80 lone 3 99 - 3 - HA THR 15 - HB2 ASN 80 lone 2 90 - 2 - HA GLU 19 - HB2 ASN 80 lone 2 65 - 3 - HA ALA 12 - HB2 ASN 80 lone 2 63 - 2 - HA LEU 64 - HB2 ASN 80 lone 1 57 - 2 - Peak 5871 from cnoeabs.peaks (6.89, 2.70, 38.61 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 80 + HB2 ASN 80 OK 100 100 - 100 - 3.5=100 HD22 ASN 74 - HB2 ASN 80 OK 36 97 - 37 - 6017=10, 4.4/5423=9...(8) Peak 5872 from cnoeabs.peaks (7.54, 2.70, 38.61 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: HD21 ASN 80 + HB2 ASN 80 OK 100 100 - 100 - 3.5=100 H ARG 54 - HB2 ASN 80 lone 5 96 - 5 - 3.6/5874=1, 5881/1.8=1 H LEU 43 - HB2 ASN 80 lone 5 78 - 6 - 5881/1.8=1 H LEU 51 - HB2 ASN 80 lone 5 97 - 5 - 6016/3.5=1, 5881/1.8=1 Peak 5873 from cnoeabs.peaks (8.03, 2.70, 38.61 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.96: H TYR 81 + HB2 ASN 80 OK 96 96 - 100 - 4.4=100 H ARG 82 - HB2 ASN 80 lone 3 97 - 3 - H GLN 91 - HB2 ASN 80 lone 2 100 - 2 - Peak 5874 from cnoeabs.peaks (1.39, 2.70, 38.61 ppm; 5.54 A): 7 out of 12 assignments used, quality = 0.92: QB ALA 77 + HB2 ASN 80 OK 74 90 - 82 - 2.1/15859=49, ~6046=25...(10) QB ALA 78 + HB2 ASN 80 OK 33 100 - 33 - 2.1/5859=9, ~6046=6...(9) HG2 LYS 83 + HB2 ASN 80 OK 17 76 - 23 - ~6055=8, 3.7/5869=5...(7) HG2 LYS 75 + HB2 ASN 80 OK 15 100 - 15 - 3.9/5869=3, 6019/3.5=3...(6) HG3 LYS 75 + HB2 ASN 80 OK 15 100 - 15 - 3.9/5869=3, 6019/3.5=3...(6) HG2 LYS 85 + HB2 ASN 80 OK 14 93 - 15 - ~6055=4, 3.8/5869=3...(6) QB ALA 53 + HB2 ASN 80 OK 11 100 - 11 - 6019/3.5=4, 3.6/5872=2 QB ALA 20 - HB2 ASN 80 lone 9 93 - 10 - 6019/3.5=2, 2.1/5859=2...(4) HB3 ARG 69 - HB2 ASN 80 lone 8 100 - 8 - 6019/3.5=2, 6021/3.5=1 HG3 LYS 73 - HB2 ASN 80 lone 7 100 - 8 - 6019/3.5=2, 6021/3.5=1 HG3 ARG 69 - HB2 ASN 80 lone 7 92 - 8 - 6019/3.5=2, 6021/3.5=1 HG3 LYS 39 - HB2 ASN 80 lone 7 95 - 7 - 6019/3.5=1 Peak 5875 from cnoeabs.peaks (4.23, 2.76, 38.61 ppm; 4.57 A): 4 out of 22 assignments used, quality = 0.93: * HA ALA 77 + HB3 ASN 80 OK 79 100 - 79 - 15859/1.8=44, 6046=32...(9) HA ALA 77 + HB3 ASN 74 OK 35 68 - 51 - ~16041=25, ~6040=9...(10) HA LYS 83 + HB3 ASN 80 OK 27 95 - 28 - ~6056=11, 6154/3.8=6...(6) HA ALA 78 + HB3 ASN 80 OK 27 73 - 36 - 5859/1.8=8, 6046=8...(9) HA LYS 75 - HB3 ASN 74 OK 20 59 - 34 - ~334=14, 3.0/335=13, ~335=7 HA LYS 85 - HB3 ASN 80 OK 16 100 - 16 - 6154/3.8=4, 5869/1.8=3...(6) HA LYS 75 - HB3 ASN 80 OK 14 93 - 15 - 5869/1.8=3, ~333=2...(5) HA LYS 85 - HB3 ASN 74 poor 9 69 - 13 - 3423/4.6=3, ~6055=3 HA LYS 83 - HB3 ASN 74 poor 7 60 - 11 - ~6056=4, ~6055=2, 3423/4.6=1 HA ALA 78 - HB3 ASN 74 poor 6 43 - 15 - ~6040=3, 4.9/5879=3...(6) HA LYS 39 - HB3 ASN 74 poor 5 50 - 10 - 5202=3, 802/4.6=3, 6082/3.5=2 HA LYS 39 - HB3 ASN 80 lone 5 83 - 6 - 5202=2 HB THR 37 - HB3 ASN 74 lone 3 66 - 5 - ~4269=2, ~4886=2 HB THR 37 - HB3 ASN 80 lone 3 99 - 3 - HA THR 15 - HB3 ASN 80 lone 2 90 - 2 - HA GLU 19 - HB3 ASN 80 lone 2 65 - 3 - HA ALA 12 - HB3 ASN 80 lone 2 63 - 3 - HA LEU 64 - HB3 ASN 80 lone 1 57 - 2 - HA LEU 64 - HB3 ASN 74 lone 1 32 - 3 - 5287/1.8=1 HA THR 15 - HB3 ASN 74 lone 1 56 - 2 - HA GLU 19 - HB3 ASN 74 lone 1 38 - 2 - HA ALA 12 - HB3 ASN 74 lone 1 36 - 2 - Peak 5876 from cnoeabs.peaks (2.75, 2.70, 38.61 ppm; 2.40 A): 1 out of 4 assignments used, quality = 0.99: HB3 ASN 80 + HB2 ASN 80 OK 99 99 - 100 - 1.8=100 HD2 PRO 34 - HB2 ASN 80 lone 6 63 - 9 - 1.8/1698=2, 2.3/1726=2 HB2 ASN 42 - HB2 ASN 80 lone 3 99 - 3 - HB3 ASN 42 - HB2 ASN 80 lone 3 98 - 3 - Peak 5877 from cnoeabs.peaks (2.71, 2.76, 38.61 ppm; 2.40 A): 1 out of 6 assignments used, quality = 0.97: HB2 ASN 80 + HB3 ASN 80 OK 97 97 - 100 - 1.8=100 HD2 PRO 34 - HB3 ASN 80 lone 8 98 - 8 - ~1698=1, ~1726=1...(4) HB2 ASN 80 - HB3 ASN 74 poor 7 63 - 11 - 5423/3.0=3, 6017/3.5=1 HB2 ASP 46 - HB3 ASN 80 lone 2 92 - 2 - HD2 PRO 34 - HB3 ASN 74 lone 1 65 - 1 - HB2 ASP 46 - HB3 ASN 74 lone 0 58 - 0 - Peak 5878 from cnoeabs.peaks (2.76, 2.76, 38.61 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: HB3 ASN 80 + HB3 ASN 80 OK 100 100 - 100 HB3 ASN 74 - HB3 ASN 74 OK 45 45 - 100 Peak 5879 from cnoeabs.peaks (1.37, 2.76, 38.61 ppm; 4.82 A): 3 out of 24 assignments used, quality = 0.91: QB ALA 77 + HB3 ASN 80 OK 80 100 - 80 - ~15859=33, 2.1/6046=26...(11) QB ALA 77 + HB3 ASN 74 OK 39 67 - 57 - 16041/3.0=42, ~6039=9...(6) QB ALA 78 + HB3 ASN 80 OK 25 89 - 29 - 2.1/6046=6, ~5859=6...(9) HG2 LYS 83 - HB3 ASN 80 OK 17 100 - 18 - ~6055=6, 3.7/5875=3...(6) HG2 LYS 85 - HB3 ASN 80 OK 13 99 - 13 - ~6055=3, 3.8/5875=2...(6) HG2 LYS 75 - HB3 ASN 80 OK 11 85 - 13 - 6019/3.5=2, ~5874=2...(7) HG3 LYS 75 - HB3 ASN 80 OK 11 85 - 13 - 6019/3.5=2, ~5874=2...(7) HG2 LYS 75 - HB3 ASN 74 OK 10 52 - 20 - 4.8/335=10, 3.9/5875=2...(7) HG3 LYS 75 - HB3 ASN 74 OK 10 52 - 20 - 4.8/335=10, 3.9/5875=2...(7) QB ALA 20 - HB3 ASN 80 lone 8 99 - 8 - 6019/3.5=1, 6040/3.0=1...(4) HG2 LYS 85 - HB3 ASN 74 poor 8 66 - 12 - ~6055=3, 5892/4.6=2...(5) QB ALA 78 - HB3 ASN 74 poor 8 55 - 14 - 6040/3.0=6, 327/4.0=2...(4) HG3 LYS 73 - HB3 ASN 74 poor 7 55 - 12 - 327/4.0=4, 6041/3.0=2...(5) QB ALA 53 - HB3 ASN 80 lone 6 78 - 8 - 6019/3.5=3, 6021/3.5=1 HG2 LYS 83 - HB3 ASN 74 lone 6 68 - 9 - ~6055=3, 6041/3.0=1 HG3 ARG 69 - HB3 ASN 80 lone 6 99 - 6 - 6019/3.5=1 HG3 LYS 73 - HB3 ASN 80 lone 5 89 - 6 - 6019/3.5=1 HB3 ARG 69 - HB3 ASN 80 lone 5 73 - 6 - 6019/3.5=1 HG3 ARG 69 - HB3 ASN 74 lone 4 67 - 7 - 327/4.0=2, 805/4.6=1 HB3 ARG 69 - HB3 ASN 74 lone 3 43 - 7 - 327/4.0=2, 806/4.6=1 QB ALA 16 - HB3 ASN 80 lone 2 97 - 2 - QB ALA 20 - HB3 ASN 74 lone 2 66 - 3 - QB ALA 53 - HB3 ASN 74 lone 2 46 - 4 - QB ALA 16 - HB3 ASN 74 lone 1 63 - 2 - Peak 5880 from cnoeabs.peaks (6.89, 2.76, 38.61 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: HD22 ASN 80 + HB3 ASN 80 OK 100 100 - 100 - 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 65 65 - 100 - 3.5=100 HD22 ASN 74 - HB3 ASN 80 OK 28 98 - 28 - 5871/1.8=9, 6013/3.5=5...(7) HD22 ASN 80 - HB3 ASN 74 OK 20 69 - 30 - 1.7/5881=6, 455/1.8=5...(8) Peak 5881 from cnoeabs.peaks (7.55, 2.76, 38.61 ppm; 4.51 A): 1 out of 8 assignments used, quality = 1.00: HD21 ASN 80 + HB3 ASN 80 OK 100 100 - 100 - 3.5=100 HD21 ASN 80 - HB3 ASN 74 OK 21 68 - 30 - 6023=6, 6013/3.5=5...(11) H LEU 43 - HB3 ASN 80 lone 4 65 - 6 - 5872/1.8=2 H LEU 51 - HB3 ASN 80 lone 4 90 - 4 - 5872/1.8=1, 6016/3.5=1 H ARG 54 - HB3 ASN 80 lone 4 89 - 4 - 5872/1.8=2 H ARG 54 - HB3 ASN 74 lone 4 55 - 6 - 4965/1.8=4 H LEU 43 - HB3 ASN 74 lone 1 38 - 4 - H LEU 51 - HB3 ASN 74 lone 1 56 - 2 - Peak 5883 from cnoeabs.peaks (3.00, 3.03, 38.06 ppm; 2.40 A): 3 out of 5 assignments used, quality = 0.77: HB3 TYR 81 + HB2 TYR 81 OK 71 71 - 100 - 1.8=100 HD2 ARG 54 + HB2 TYR 81 OK 12 68 - 18 - 4676/2.5=3, 3.0/2330=2...(9) HD3 ARG 54 + HB2 TYR 81 OK 11 65 - 17 - 4676/2.5=3, 3.0/2330=2...(9) HE3 LYS 39 - HB2 TYR 81 lone 1 71 - 2 - HE2 LYS 39 - HB2 TYR 81 lone 1 65 - 2 - Peak 5884 from cnoeabs.peaks (3.06, 2.98, 38.06 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.65: HB2 TYR 81 + HB3 TYR 81 OK 65 65 - 100 - 1.8=100 Peak 5885 from cnoeabs.peaks (1.52, 4.18, 56.27 ppm; 3.51 A): 4 out of 20 assignments used, quality = 0.89: HG2 ARG 82 + HA ARG 82 OK 84 99 - 85 - 3.8=76, 5478/3.0=12...(6) HB3 ARG 54 + HA ARG 82 OK 14 65 - 21 - 5478/3.0=4, 5480/3.0=2...(9) HG LEU 64 + HA ARG 82 OK 13 85 - 16 - 5480/3.0=3, 5481=2...(5) HG3 ARG 23 + HA ARG 82 OK 11 83 - 13 - 5480/3.0=2, 5481=2...(5) HG2 ARG 82 - HA ARG 84 lone 7 78 - 9 - 2.9/3235=2, 5481=1...(4) HG2 LYS 39 - HA ARG 82 lone 6 65 - 9 - 5478/3.0=2, 5480/3.0=1 HG2 ARG 82 - HA LYS 73 lone 5 55 - 10 - 2.9/3235=2, 5481=1...(4) HG2 ARG 82 - HA GLN 79 lone 5 73 - 7 - 2.9/3235=2, 5.0/5473=2 HG2 LYS 39 - HA LYS 73 poor 4 31 - 14 - 1867/3.8=1 HG LEU 64 - HA ARG 84 lone 4 62 - 6 - HB3 ARG 54 - HA LYS 73 lone 3 31 - 10 - ~5987=2, 4.1/208=1...(4) HG LEU 64 - HA GLN 79 lone 3 58 - 5 - HG2 LYS 39 - HA ARG 84 lone 3 46 - 6 - HG3 ARG 23 - HA ARG 84 lone 2 60 - 4 - HG LEU 64 - HA LYS 73 lone 2 42 - 4 - HB3 ARG 54 - HA ARG 84 lone 2 46 - 3 - HB3 ARG 54 - HA GLN 79 lone 1 43 - 3 - HG3 ARG 23 - HA LYS 73 lone 1 41 - 3 - HG2 LYS 39 - HA GLN 79 lone 1 43 - 2 - HG3 ARG 23 - HA GLN 79 lone 1 56 - 1 - Peak 5886 from cnoeabs.peaks (3.01, 4.18, 56.27 ppm; 5.02 A): 8 out of 20 assignments used, quality = 0.84: HB2 TYR 81 + HA ARG 82 OK 33 68 - 49 - ~5474=19, ~4673=12...(7) HB3 TYR 81 + HA ARG 82 OK 28 57 - 48 - ~5474=19, ~4673=12...(7) HD2 ARG 54 + HA ARG 82 OK 26 81 - 32 - 5475/3.0=7, ~5914=5...(10) HD3 ARG 54 + HA ARG 82 OK 25 78 - 32 - 5475/3.0=7, ~5475=5...(10) HB2 TYR 81 + HA GLN 79 OK 14 44 - 32 - 2.5/5868=10, 1.8/5459=6...(7) HB2 TYR 81 + HA ARG 84 OK 13 48 - 27 - ~6058=3, ~6059=3...(11) HB3 TYR 81 + HA GLN 79 OK 12 37 - 32 - 2.5/5868=10, 1.8/5458=6...(7) HB3 TYR 81 + HA ARG 84 OK 10 40 - 26 - ~6058=3, ~6059=3...(11) HB2 TYR 81 - HA LYS 73 poor 7 32 - 21 - 2.5/4675=5, 4.1/5473=3...(9) HE3 LYS 39 - HA ARG 82 lone 6 57 - 10 - 5475/3.0=2, 3.6/5885=1, ~5475=1 HB3 TYR 81 - HA LYS 73 poor 5 26 - 20 - 2.5/4675=5, 4.1/5473=3...(9) HE3 LYS 39 - HA LYS 73 poor 5 26 - 18 - 3.6/5885=1 HD2 ARG 54 - HA LYS 73 lone 3 40 - 9 - 6.4/208=2 HD2 ARG 54 - HA ARG 84 lone 3 58 - 6 - HD3 ARG 54 - HA LYS 73 lone 3 38 - 9 - 6.4/208=2 HD3 ARG 54 - HA ARG 84 lone 3 56 - 6 - HE3 LYS 39 - HA ARG 84 lone 3 40 - 6 - HD2 ARG 54 - HA GLN 79 lone 2 54 - 5 - HD3 ARG 54 - HA GLN 79 lone 2 52 - 5 - HE3 LYS 39 - HA GLN 79 lone 1 37 - 3 - Peak 5887 from cnoeabs.peaks (3.02, 1.76, 30.45 ppm; 4.82 A): 6 out of 15 assignments used, quality = 0.93: HD2 ARG 54 + HB3 LYS 32 OK 40 76 - 53 - 3.0/2325=5, 3.6/2317=4...(27) HD2 ARG 54 + HB2 LYS 32 OK 40 76 - 53 - 3.0/2325=5, 3.6/2317=4...(27) HD3 ARG 54 + HB2 LYS 32 OK 40 75 - 53 - 3.0/2325=5, 3.6/2317=4...(27) HD3 ARG 54 + HB3 LYS 32 OK 40 75 - 53 - 3.0/2325=5, 3.6/2317=4...(27) HB2 TYR 81 + HB3 ARG 82 OK 31 93 - 33 - ~5868=8, 2.5/4683=7...(8) HD2 ARG 54 + HB3 ARG 82 OK 23 98 - 24 - 5475/4.0=5, 5886/3.0=4...(7) HD3 ARG 54 - HB3 ARG 82 OK 23 97 - 24 - 5475/4.0=5, 5886/3.0=3...(7) HD2 ARG 54 - HB2 PRO 34 OK 19 87 - 22 - 3.0/2325=2, 3.6/2317=2...(8) HD3 ARG 54 - HB2 PRO 34 OK 18 86 - 21 - 3.0/2325=2, 3.6/2317=2...(8) HB2 TYR 81 - HB2 PRO 34 poor 10 81 - 12 - 2.5/4683=3, 3.9/6123=2...(4) HB2 TYR 81 - HB3 LYS 32 lone 6 70 - 9 - 2.5/4683=1, 4.1/5476=1, ~4683=1 HB2 TYR 81 - HB2 LYS 32 lone 6 70 - 9 - 2.5/4683=1, 4.1/5476=1, ~4683=1 HD2 ARG 54 - HB3 ARG 17 lone 2 67 - 3 - HD3 ARG 54 - HB3 ARG 17 lone 2 66 - 3 - HB2 TYR 81 - HB3 ARG 17 lone 1 61 - 2 - Peak 5888 from cnoeabs.peaks (3.15, 4.18, 56.27 ppm; 4.26 A): 3 out of 52 assignments used, quality = 0.98: * HD2 ARG 82 + HA ARG 82 OK 79 100 - 79 - 4.9=65, 3.0/5885=18...(9) HD2 ARG 84 + HA ARG 84 OK 68 81 - 84 - 5.1=58, 3410/3.0=8...(31) HD3 ARG 84 + HA ARG 84 OK 68 81 - 84 - 5.1=58, 3410/3.0=8...(31) HD3 ARG 23 - HA ARG 82 OK 16 87 - 19 - 5889/3.0=3, 2.9/5885=2...(7) HD2 ARG 23 - HA ARG 82 OK 16 87 - 19 - 5889/3.0=3, 2.9/5885=2...(7) HD3 ARG 17 - HA ARG 84 OK 14 72 - 20 - 3390/3.0=1, 3.6/3376=1, 5994=1 HD2 ARG 17 - HA ARG 84 OK 14 72 - 20 - 3390/3.0=1, 3.6/3376=1, 5994=1 HD2 ARG 84 - HA LYS 73 OK 10 57 - 18 - 3.5/3376=3, 3.5/3384=3...(6) HD3 ARG 84 - HA LYS 73 OK 10 57 - 18 - 3.5/3376=3, 3.5/3384=3...(6) HD2 ARG 84 - HA ARG 82 lone 10 100 - 10 - 5889/3.0=1, 3.5/3376=1 HD3 ARG 84 - HA ARG 82 lone 10 100 - 10 - 5889/3.0=1, 3.5/3376=1 HD2 ARG 71 - HA ARG 84 poor 9 78 - 11 - HD2 ARG 82 - HA ARG 84 lone 7 81 - 9 - 3.6/3235=2, 3.0/5885=2 HD2 ARG 71 - HA LYS 73 poor 6 55 - 11 - HB2 PHE 48 - HA ARG 82 lone 5 76 - 7 - ~6079=3, 2.5/5868=1 HD2 ARG 82 - HA GLN 79 lone 5 76 - 7 - 3.6/3235=2, 6.4/5473=2 HD2 ARG 82 - HA LYS 73 lone 5 57 - 9 - 3.6/3235=3, 3.0/5481=1...(4) HD2 ARG 71 - HA ARG 82 lone 5 99 - 5 - 5889/3.0=1 HD2 ARG 26 - HA ARG 84 poor 5 46 - 10 - HD2 ARG 17 - HA ARG 82 lone 5 94 - 5 - HD3 ARG 17 - HA ARG 82 lone 5 94 - 5 - HD3 ARG 26 - HA ARG 84 poor 5 44 - 10 - HD3 ARG 23 - HA ARG 84 lone 4 64 - 7 - HD2 ARG 23 - HA ARG 84 lone 4 64 - 7 - HD2 ARG 27 - HA ARG 84 lone 4 56 - 7 - HD3 ARG 27 - HA ARG 84 lone 4 56 - 7 - HB2 PHE 48 - HA ARG 84 lone 3 54 - 6 - ~4463=1, 4471/3.0=1 HD2 ARG 17 - HA LYS 73 lone 3 50 - 5 - HD3 ARG 17 - HA LYS 73 lone 3 50 - 5 - HD2 ARG 84 - HA GLN 79 lone 2 76 - 3 - HD3 ARG 84 - HA GLN 79 lone 2 76 - 3 - HD2 ARG 27 - HA ARG 82 lone 2 78 - 3 - HD3 ARG 27 - HA ARG 82 lone 2 78 - 3 - HD2 ARG 26 - HA ARG 82 lone 2 65 - 3 - HD3 ARG 26 - HA ARG 82 lone 2 63 - 3 - HD3 ARG 23 - HA LYS 73 lone 2 44 - 3 - HD2 ARG 23 - HA LYS 73 lone 2 44 - 3 - HB2 PHE 48 - HA GLN 79 lone 1 50 - 2 - HD2 ARG 26 - HA LYS 73 lone 1 31 - 4 - HD2 ARG 71 - HA GLN 79 lone 1 73 - 2 - HD3 ARG 26 - HA LYS 73 lone 1 29 - 4 - HB2 PHE 48 - HA LYS 73 lone 1 37 - 3 - HD3 ARG 17 - HA GLN 79 lone 1 67 - 2 - HD2 ARG 17 - HA GLN 79 lone 1 67 - 2 - HD3 ARG 23 - HA GLN 79 lone 1 60 - 2 - HD2 ARG 23 - HA GLN 79 lone 1 60 - 2 - HD2 ARG 27 - HA LYS 73 lone 1 38 - 2 - HD3 ARG 27 - HA LYS 73 lone 1 38 - 2 - HD2 ARG 26 - HA GLN 79 lone 1 43 - 2 - HD2 ARG 27 - HA GLN 79 lone 1 52 - 1 - HD3 ARG 27 - HA GLN 79 lone 1 52 - 1 - HD3 ARG 26 - HA GLN 79 lone 1 41 - 2 - Peak 5889 from cnoeabs.peaks (3.14, 1.69, 30.45 ppm; 4.01 A): 1 out of 11 assignments used, quality = 1.00: HD2 ARG 82 + HB2 ARG 82 OK 100 100 - 100 - 3.6=100 HD2 ARG 23 - HB2 ARG 82 OK 13 78 - 17 - 2.9/5480=3, 5888/3.0=1 HD3 ARG 23 - HB2 ARG 82 OK 13 78 - 17 - 2.9/5480=3, 5888/3.0=1 HD2 ARG 84 - HB2 ARG 82 lone 7 100 - 7 - 5.1/3235=1 HD3 ARG 84 - HB2 ARG 82 lone 7 99 - 7 - 5.1/3235=1 HD2 ARG 71 - HB2 ARG 82 lone 5 100 - 5 - HD2 ARG 17 - HB2 ARG 82 lone 4 89 - 4 - HD3 ARG 17 - HB2 ARG 82 lone 4 89 - 4 - HB2 PHE 48 - HB2 ARG 82 lone 3 85 - 3 - HD2 ARG 27 - HB2 ARG 82 lone 2 68 - 2 - HD3 ARG 27 - HB2 ARG 82 lone 2 68 - 2 - Peak 5890 from cnoeabs.peaks (8.19, 1.73, 30.41 ppm; 5.13 A): 1 out of 14 assignments used, quality = 0.93: H ARG 84 + HB2 ARG 84 OK 93 93 - 100 - 4.0=100 H ARG 27 - HB3 ARG 17 OK 22 74 - 30 - 65=5, 5485/3.0=3...(12) H ILE 89 - HB2 ARG 84 OK 21 96 - 22 - 5891/1.8=5, 876/3.0=4...(6) H ARG 27 - HB2 ARG 84 OK 12 99 - 12 - 5891/1.8=2, 65=1, 5380/4.6=1 H ARG 84 - HB3 ARG 17 OK 11 66 - 16 - 3.0/3376=2, 5485/3.0=1...(5) H ALA 28 - HB2 ARG 84 poor 8 63 - 13 - 4.6/546=3, 841/3.0=1, 5891/1.8=1 H ILE 89 - HB3 ARG 17 poor 8 69 - 11 - 408/3.0=3, 877/1.8=2, ~3599=1 H THR 15 - HB2 ARG 84 lone 7 85 - 9 - 478/3.0=3, ~1130=2, 5891/1.8=1 H GLU 25 - HB2 ARG 84 lone 6 90 - 6 - 5891/1.8=1 H ALA 28 - HB3 ARG 17 poor 4 41 - 11 - 4.6/65=3 H GLU 25 - HB3 ARG 17 lone 4 63 - 6 - 4.6/530=1 H SER 22 - HB2 ARG 84 lone 4 68 - 6 - ~6058=1, ~6059=1 H THR 15 - HB3 ARG 17 lone 2 58 - 3 - H SER 22 - HB3 ARG 17 lone 2 45 - 3 - Peak 5891 from cnoeabs.peaks (8.19, 1.80, 30.41 ppm; 4.72 A): 1 out of 28 assignments used, quality = 0.93: H ARG 84 + HB3 ARG 84 OK 93 93 - 100 - 4.0=100 H ILE 89 - HB3 ARG 84 OK 23 96 - 24 - 876/3.0=4, 5890/1.8=4...(10) H ALA 28 - HB2 LYS 32 OK 12 24 - 50 - ~1559=5, ~4180=5...(20) H ALA 28 - HB3 LYS 32 OK 12 24 - 50 - ~1559=5, ~4180=5...(20) H ARG 27 - HB3 ARG 84 lone 9 99 - 9 - 5890/1.8=2 H THR 15 - HB3 ARG 84 lone 7 85 - 8 - 478/3.0=2, ~1130=1...(4) H ARG 27 - HB2 LYS 32 poor 6 47 - 13 - 5520/2.9=4, 4.6/368=2...(5) H ARG 27 - HB3 LYS 32 poor 6 47 - 13 - 5520/2.9=4, 4.6/368=2...(5) H ARG 27 - HB2 PRO 34 lone 6 67 - 8 - 65/2.3=2 H ARG 84 - HB2 LYS 32 poor 6 41 - 13 - H ARG 84 - HB3 LYS 32 poor 6 41 - 13 - H GLU 25 - HB3 ARG 84 lone 5 90 - 6 - H ALA 28 - HB3 ARG 84 lone 5 63 - 8 - 5890/1.8=1, 841/3.0=1 H SER 22 - HB3 ARG 84 lone 3 68 - 4 - 2.9/6058=2 H THR 15 - HB2 PRO 34 lone 3 53 - 5 - 3.6/6058=2 H ARG 84 - HB2 PRO 34 lone 3 60 - 4 - H ALA 28 - HB2 PRO 34 lone 2 37 - 7 - H GLU 25 - HB2 PRO 34 lone 2 57 - 4 - H GLU 25 - HB2 LYS 32 lone 2 39 - 4 - 5511/2.9=1 H GLU 25 - HB3 LYS 32 lone 2 39 - 4 - 5511/2.9=1 H SER 22 - HB2 PRO 34 lone 2 40 - 4 - 2.9/6058=2 H ILE 89 - HB2 PRO 34 lone 1 63 - 2 - H ILE 89 - HB2 LYS 32 lone 1 43 - 3 - H ILE 89 - HB3 LYS 32 lone 1 43 - 3 - H THR 15 - HB2 LYS 32 lone 1 36 - 2 - H THR 15 - HB3 LYS 32 lone 1 36 - 2 - H SER 22 - HB2 LYS 32 lone 1 27 - 2 - H SER 22 - HB3 LYS 32 lone 1 27 - 2 - Peak 5892 from cnoeabs.peaks (8.10, 1.38, 24.55 ppm; 4.90 A): 4 out of 25 assignments used, quality = 1.00: H LYS 85 + HG2 LYS 85 OK 100 100 - 100 - 4.8=100 H LYS 75 + HG2 LYS 75 OK 55 55 - 100 - 4.8=100 H LYS 75 + HG3 LYS 75 OK 55 55 - 100 - 4.8=100 H LYS 75 + HG3 LYS 73 OK 46 93 - 49 - 5849/1.8=7, 803/2.9=5...(18) H LYS 75 - HG2 LYS 85 OK 38 97 - 39 - 5849/1.8=6, 3443/2.9=6...(12) H LYS 85 - HG3 LYS 73 OK 38 97 - 39 - 377/3.8=4, 853/1.8=4...(18) H ARG 71 - HG3 LYS 73 OK 33 96 - 34 - 942/4.9=6, 3.6/5983=5...(11) H LYS 85 - HG2 LYS 83 OK 29 91 - 32 - 3443/2.9=6, 3423/3.7=5...(14) H LYS 85 - HG3 LYS 75 OK 25 59 - 42 - 3066/3.9=6, 3076/2.7=4...(21) H LYS 85 - HG2 LYS 75 OK 25 59 - 42 - 3066/3.9=6, 3076/2.7=4...(21) H LYS 75 - HG2 LYS 83 OK 16 86 - 18 - 3443/2.9=3, 3423/3.7=2...(7) H ARG 71 - HG2 LYS 85 OK 15 100 - 15 - 3443/2.9=2, 3.6/5983=2...(5) H ARG 71 - HG3 LYS 75 OK 14 58 - 24 - 3.6/5983=4, 3066/3.9=4...(7) H ARG 71 - HG2 LYS 75 OK 14 58 - 24 - 3.6/5983=4, 3066/3.9=4...(7) H ARG 71 - HG2 LYS 83 lone 6 90 - 7 - 3443/2.9=1 H ARG 26 - HG3 LYS 73 lone 3 53 - 6 - H ARG 26 - HG2 LYS 85 lone 3 57 - 4 - H ARG 26 - HG2 LYS 83 lone 2 47 - 4 - H THR 88 - HG2 LYS 85 lone 2 57 - 3 - H THR 88 - HG3 LYS 73 lone 1 53 - 3 - H THR 88 - HG2 LYS 83 lone 1 47 - 2 - H ARG 26 - HG2 LYS 75 lone 1 27 - 2 - H ARG 26 - HG3 LYS 75 lone 1 27 - 2 - H THR 88 - HG2 LYS 75 lone 0 27 - 2 - H THR 88 - HG3 LYS 75 lone 0 27 - 2 - Peak 5893 from cnoeabs.peaks (8.12, 1.45, 24.55 ppm; 5.44 A): 3 out of 21 assignments used, quality = 0.92: H LYS 85 + HG3 LYS 85 OK 87 87 - 100 - 4.8=100 H LYS 85 + HG2 LYS 73 OK 24 55 - 43 - 853=4, 377/3.8=4...(20) H LYS 85 + HG3 LYS 13 OK 20 84 - 24 - 2.9/3428=4, 4.0/3448=4...(7) H ASN 74 - HG2 LYS 73 OK 16 35 - 44 - 4.5/789=15, 324/2.9=13...(9) H ARG 71 - HG2 LYS 73 OK 15 56 - 27 - 942/4.9=7, 4008/3.8=2...(9) H ASN 74 - HG3 LYS 85 OK 14 60 - 23 - 4.6/5849=5, ~6055=4...(9) H LEU 57 - HG3 LYS 13 OK 10 60 - 17 - 3.0/2431=2, 4.6/228=2...(7) H LEU 57 - HG2 LYS 73 poor 9 37 - 25 - 3.0/2431=3, 5745/3.7=2...(12) H ARG 71 - HG3 LYS 85 poor 9 89 - 10 - 3443/2.9=2, 3423/3.8=1 H ASN 74 - HG3 LYS 13 poor 8 57 - 14 - 4.6/5849=5, 4.5/789=2...(5) H ALA 78 - HG3 LYS 85 lone 6 71 - 9 - H THR 88 - HG3 LYS 85 lone 6 99 - 6 - 4.6/5269=3 H ARG 26 - HG2 LYS 73 lone 6 67 - 9 - 944/4.9=1 H ALA 78 - HG2 LYS 73 poor 6 43 - 13 - 944/4.9=1 H ARG 26 - HG3 LYS 85 lone 6 99 - 6 - 4.6/5519=1 H THR 88 - HG3 LYS 13 lone 5 96 - 5 - 4.6/5269=2 H ARG 71 - HG3 LYS 13 lone 5 86 - 6 - H ARG 26 - HG3 LYS 13 lone 4 96 - 4 - 4.6/5519=1 H LEU 57 - HG3 LYS 85 lone 4 63 - 6 - H THR 88 - HG2 LYS 73 lone 2 67 - 4 - H ALA 78 - HG3 LYS 13 lone 2 68 - 3 - Peak 5894 from cnoeabs.peaks (8.28, 1.60, 26.98 ppm; 5.01 A): 2 out of 28 assignments used, quality = 0.94: H LEU 86 + HG LEU 86 OK 91 97 - 94 - 5.3=86, 861/3.0=20...(7) H VAL 90 + HG LEU 86 OK 35 97 - 36 - 414/2.1=7, 3520/3.0=7...(10) H LEU 86 - HG2 ARG 17 OK 17 72 - 24 - 860/1.8=3, 860=2...(11) H LEU 86 - HG3 ARG 17 OK 17 70 - 24 - 860/1.8=3, 860=2...(11) H LEU 86 - HG2 ARG 84 OK 14 65 - 22 - 387/3.0=4, 386/3.0=3...(7) H LEU 86 - HG3 ARG 84 OK 14 65 - 22 - 387/3.0=4, 386/3.0=3...(7) H LEU 86 - HG3 ARG 70 lone 8 82 - 10 - 387/1.8=2, 4.6/396=1, 860=1 H LYS 13 - HG LEU 86 lone 6 100 - 6 - 3513/4.3=1, 3520/3.0=1 H VAL 90 - HG2 ARG 84 lone 5 66 - 8 - 5277/3.0=2, 412/3.9=2 H VAL 90 - HG3 ARG 84 lone 5 66 - 8 - 5277/3.0=2, 412/3.9=2 H LEU 86 - HG3 ARG 54 lone 4 64 - 6 - H ASN 80 - HG LEU 86 lone 3 99 - 3 - H ASN 80 - HG2 ARG 84 lone 3 68 - 4 - 5421/3.9=2 H ASN 80 - HG3 ARG 84 lone 3 68 - 4 - 5421/3.9=2 H ASN 80 - HG3 ARG 70 lone 3 86 - 3 - H ASN 80 - HG3 ARG 54 lone 2 67 - 4 - 5.3/5847=1 H LYS 13 - HG3 ARG 84 lone 2 70 - 3 - H LYS 13 - HG2 ARG 84 lone 2 70 - 3 - H LYS 13 - HG3 ARG 54 lone 2 69 - 3 - H VAL 90 - HG3 ARG 70 lone 2 83 - 3 - H VAL 90 - HG2 ARG 17 lone 2 73 - 3 - H LYS 13 - HG3 ARG 70 lone 2 88 - 2 - H VAL 90 - HG3 ARG 17 lone 2 71 - 3 - H LYS 13 - HG2 ARG 17 lone 2 78 - 2 - H LYS 13 - HG3 ARG 17 lone 2 76 - 2 - H ASN 80 - HG2 ARG 17 lone 1 76 - 2 - H VAL 90 - HG3 ARG 54 lone 1 65 - 2 - H ASN 80 - HG3 ARG 17 lone 1 74 - 2 - Peak 5903 from cnoeabs.peaks (8.26, 1.82, 38.45 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.99: H VAL 90 + HB ILE 89 OK 99 99 - 100 - 4.4=100 H LEU 86 - HB ILE 89 OK 39 99 - 39 - 4040/2.1=10, 4038/3.0=7...(9) H LYS 13 - HB ILE 89 OK 22 92 - 23 - 4040/2.1=6, 4038/3.0=3...(6) H ALA 12 - HB ILE 89 lone 3 85 - 3 - H ASN 80 - HB ILE 89 lone 2 71 - 3 - Peak 5904 from cnoeabs.peaks (4.30, 0.81, 12.45 ppm; 5.30 A): 2 out of 8 assignments used, quality = 0.73: HA THR 88 + QD1 ILE 89 OK 48 81 - 60 - 408/4.9=23, 3.2/3636=12...(9) HA LEU 86 + QD1 ILE 89 OK 48 100 - 48 - 3.0/6150=8, 3519/3.1=7...(15) HA ARG 17 - QD1 ILE 89 poor 8 76 - 11 - 408/4.9=2, 3.0/3634=1 HA ASP 38 - QD1 ILE 89 lone 7 78 - 9 - 4891=2 HA GLU 87 - QD1 ILE 89 lone 5 92 - 6 - ~5919=3 HA PRO 34 - QD1 ILE 89 lone 3 92 - 3 - HA SER 60 - QD1 ILE 89 lone 2 76 - 3 - HA ALA 16 - QD1 ILE 89 lone 2 98 - 2 - Peak 5907 from cnoeabs.peaks (1.68, 3.79, 50.51 ppm; 5.00 A): 1 out of 11 assignments used, quality = 0.99: HB3 LYS 13 + HD2 PRO 14 OK 99 99 - 100 - 4.8=100 HD3 LYS 13 - HD2 PRO 14 OK 43 97 - 44 - 5.4/4801=18, 3.5/4813=14...(5) HD2 LYS 13 - HD2 PRO 14 OK 43 97 - 44 - 5.4/4801=18, 3.5/4813=14...(5) HG3 ARG 66 - HD2 PRO 14 OK 32 83 - 39 - 2.8/1081=4, 4821/1.8=4...(21) HB3 LEU 64 - HD2 PRO 14 OK 21 78 - 27 - ~5793=2, 2628/2.3=2...(15) HD2 LYS 75 - HD2 PRO 14 OK 11 97 - 12 - 1040/3.8=3, 3.5/4813=2...(5) HD3 LYS 75 - HD2 PRO 14 OK 11 97 - 12 - 1040/3.8=3, 3.5/4813=2...(5) HG LEU 29 - HD2 PRO 14 lone 7 100 - 7 - 4821/1.8=1, ~5960=1 HB3 GLN 61 - HD2 PRO 14 lone 6 90 - 6 - HB2 ARG 82 - HD2 PRO 14 lone 4 85 - 5 - HG2 ARG 23 - HD2 PRO 14 lone 3 100 - 3 - Peak 5924 from cnoeabs.peaks (8.28, 1.42, 24.46 ppm; 5.62 A): 1 out of 4 assignments used, quality = 1.00: H LYS 13 + HG2 LYS 13 OK 100 100 - 100 - 4.9=100 H LEU 86 - HG2 LYS 13 OK 20 97 - 20 - 1009/3.0=6, 4.6/1021=4...(5) H VAL 90 - HG2 LYS 13 OK 20 97 - 20 - 4.4/3616=4, 4.4/3609=3...(7) H ASN 80 - HG2 LYS 13 lone 5 99 - 5 - 1009/3.0=1 Peak 5925 from cnoeabs.peaks (1.64, 2.05, 29.32 ppm; 4.59 A): 10 out of 75 assignments used, quality = 0.95: HG2 ARG 26 + HB2 GLU 25 OK 45 93 - 48 - 1.8/5926=12, ~5926=9...(9) HG2 ARG 26 + HB3 GLU 25 OK 44 93 - 48 - 1.8/5926=12, ~5926=9...(9) HG3 ARG 27 + HB2 GLU 25 OK 23 100 - 23 - 5.0/5522=5, 529/4.7=3...(5) HG3 ARG 27 + HB3 GLU 25 OK 23 100 - 23 - 5.0/5522=5, 529/4.7=3...(5) HG2 ARG 27 + HB2 GLU 25 OK 23 100 - 23 - 5.0/5522=5, 529/4.7=3...(5) HG2 ARG 27 + HB3 GLU 25 OK 23 100 - 23 - 5.0/5522=5, 529/4.7=3...(5) HB3 GLN 61 + HB3 GLU 50 OK 17 48 - 36 - ~5765=5, 1.8/5765=4...(18) HB3 GLN 61 + HB2 GLU 50 OK 17 48 - 36 - ~5765=5, 1.8/5765=4...(18) HG2 ARG 71 + HB2 GLU 25 OK 16 90 - 17 - 529/4.7=3, ~2929=2...(4) HG2 ARG 71 + HB3 GLU 25 OK 16 90 - 17 - 529/4.7=3, ~2929=2...(4) HB2 LEU 86 - HB2 GLU 25 poor 8 81 - 10 - ~4165=1 HB2 LEU 86 - HB3 GLU 25 poor 8 81 - 10 - ~4165=1 HG3 ARG 17 - HB2 GLU 25 lone 5 90 - 6 - HG3 ARG 17 - HB3 GLU 25 lone 5 90 - 5 - HG2 ARG 17 - HB2 GLU 25 lone 5 89 - 5 - HG2 ARG 17 - HB3 GLU 25 lone 5 89 - 5 - HD3 LYS 32 - HB3 GLU 25 lone 4 76 - 5 - HD3 LYS 32 - HB2 GLU 25 lone 4 76 - 5 - HG3 ARG 70 - HB2 GLU 25 lone 4 76 - 5 - HG3 ARG 70 - HB3 GLU 25 lone 4 76 - 5 - HD2 LYS 32 - HB3 GLU 25 lone 4 71 - 5 - HD2 LYS 32 - HB2 GLU 25 lone 4 71 - 5 - HD3 LYS 32 - HB3 GLU 50 lone 3 50 - 6 - HD3 LYS 32 - HB2 GLU 50 lone 3 50 - 6 - HB2 LEU 86 - HB3 GLU 50 lone 3 54 - 6 - 4.6/867=1 HB2 LEU 86 - HB2 GLU 50 lone 3 54 - 6 - 4.6/867=1 HD2 LYS 32 - HB3 GLU 50 lone 3 46 - 6 - HD2 LYS 32 - HB2 GLU 50 lone 3 46 - 6 - HB3 GLN 61 - HB3 GLU 25 lone 3 73 - 4 - HB3 GLN 61 - HB2 GLU 25 lone 3 73 - 4 - HG2 ARG 26 - HB3 GLU 50 lone 3 66 - 4 - HG2 ARG 26 - HB2 GLU 50 lone 3 66 - 4 - HD3 LYS 73 - HB2 GLU 25 lone 2 71 - 3 - HD2 LYS 73 - HB2 GLU 25 lone 2 71 - 3 - HD3 LYS 73 - HB3 GLU 25 lone 2 71 - 3 - HD2 LYS 73 - HB3 GLU 25 lone 2 71 - 3 - HD3 LYS 73 - HB2 GLU 50 lone 2 46 - 4 - HD2 LYS 73 - HB3 GLU 50 lone 2 46 - 4 - HD3 LYS 73 - HB3 GLU 50 lone 2 46 - 4 - HD2 LYS 73 - HB2 GLU 50 lone 2 46 - 4 - HG3 ARG 27 - HB2 GLU 50 lone 2 75 - 2 - HG3 ARG 27 - HB3 GLU 50 lone 2 75 - 2 - HG2 ARG 27 - HB3 GLU 50 lone 2 75 - 2 - HG2 ARG 27 - HB2 GLU 50 lone 2 75 - 2 - HG2 ARG 26 - HB3 PRO 56 lone 2 48 - 3 - HD3 LYS 75 - HB2 GLU 50 lone 1 38 - 4 - HD3 LYS 75 - HB3 GLU 50 lone 1 38 - 4 - HD2 LYS 75 - HB2 GLU 50 lone 1 38 - 4 - HD2 LYS 75 - HB3 GLU 50 lone 1 38 - 4 - HG2 ARG 71 - HB2 GLU 50 lone 1 63 - 2 - HG2 ARG 71 - HB3 GLU 50 lone 1 63 - 2 - HB3 GLN 61 - HB3 PRO 56 lone 1 35 - 3 - HG3 ARG 27 - HB3 PRO 56 lone 1 56 - 2 - HG2 ARG 27 - HB3 PRO 56 lone 1 56 - 2 - HD2 LYS 75 - HB2 GLU 25 lone 1 60 - 2 - HD3 LYS 75 - HB2 GLU 25 lone 1 60 - 2 - HD3 LYS 75 - HB3 GLU 25 lone 1 60 - 2 - HD2 LYS 75 - HB3 GLU 25 lone 1 60 - 2 - HG3 ARG 17 - HB2 GLU 50 lone 1 63 - 2 - HG3 ARG 17 - HB3 GLU 50 lone 1 63 - 2 - HG2 ARG 17 - HB2 GLU 50 lone 1 61 - 2 - HG2 ARG 17 - HB3 GLU 50 lone 1 61 - 2 - HG3 ARG 70 - HB2 GLU 50 lone 1 50 - 2 - HG3 ARG 70 - HB3 GLU 50 lone 1 50 - 2 - HB2 LEU 86 - HB3 PRO 56 lone 1 39 - 2 - HD3 LYS 73 - HB3 PRO 56 lone 1 33 - 2 - HD2 LYS 73 - HB3 PRO 56 lone 1 33 - 2 - HD3 LYS 32 - HB3 PRO 56 lone 1 36 - 2 - HG2 ARG 71 - HB3 PRO 56 lone 1 46 - 1 - HD2 LYS 32 - HB3 PRO 56 lone 1 33 - 2 - HG3 ARG 17 - HB3 PRO 56 lone 1 46 - 1 - HG2 ARG 17 - HB3 PRO 56 lone 1 45 - 1 - HG3 ARG 70 - HB3 PRO 56 lone 1 36 - 1 - HD2 LYS 75 - HB3 PRO 56 lone 0 27 - 2 - HD3 LYS 75 - HB3 PRO 56 lone 0 27 - 2 - Peak 5926 from cnoeabs.peaks (2.05, 1.75, 27.49 ppm; 4.84 A): 2 out of 15 assignments used, quality = 0.72: HB3 GLU 25 + HG3 ARG 26 OK 47 100 - 48 - 4.7/1390=17, 3.0/1391=7...(7) HB2 GLU 25 + HG3 ARG 26 OK 47 100 - 48 - 4.7/1390=17, 3.0/1391=7...(7) HB3 GLN 91 - HG3 ARG 26 lone 7 95 - 8 - ~3661=1 HB3 GLU 19 - HG3 ARG 26 lone 6 92 - 6 - 56/4.9=1 HB2 GLU 87 - HG3 ARG 26 lone 5 78 - 6 - 4.6/1390=1 HB3 MET 31 - HG3 ARG 26 lone 4 89 - 4 - HB3 GLU 50 - HG3 ARG 26 lone 3 95 - 3 - HB2 GLU 50 - HG3 ARG 26 lone 3 95 - 3 - HB VAL 76 - HG3 ARG 26 lone 3 98 - 3 - HB3 PRO 56 - HG3 ARG 26 lone 3 78 - 3 - HG2 PRO 56 - HG3 ARG 26 lone 2 90 - 3 - HG2 PRO 44 - HG3 ARG 26 lone 2 99 - 2 - HB VAL 45 - HG3 ARG 26 lone 2 96 - 2 - HD2 ARG 69 - HG3 ARG 26 lone 2 76 - 2 - HD3 ARG 69 - HG3 ARG 26 lone 2 76 - 2 - Peak 5927 from cnoeabs.peaks (0.75, 1.85, 30.20 ppm; 5.70 A): 5 out of 10 assignments used, quality = 0.66: QD1 ILE 68 + HB3 ARG 71 OK 25 68 - 37 - 4.1/5392=8, 3939/4.4=6...(12) QD1 ILE 68 + HB2 ARG 71 OK 25 68 - 37 - 4.1/5392=8, 3939/4.4=6...(12) QD1 ILE 68 + HB3 ARG 27 OK 16 68 - 24 - 5377/4.3=7, 5377/4.1=4...(7) QD1 ILE 68 + HB2 ARG 27 OK 16 68 - 24 - 5377/4.3=7, 5377/4.1=4...(7) QD1 ILE 68 + HB2 ARG 66 OK 14 34 - 42 - 5251/2.8=6, 5974=4...(17) QD1 ILE 68 - HB3 PRO 34 poor 9 27 - 34 - ~5249=8, 5247/2.3=7...(11) QD1 ILE 68 - HB3 ARG 23 poor 9 49 - 18 - 4759/3.0=5, 5251/3.0=3...(4) QD1 ILE 68 - HB2 ARG 23 poor 9 49 - 18 - 4759/3.0=5, 5251/3.0=3...(4) QD1 ILE 68 - HB2 ARG 26 poor 5 32 - 17 - 5377/4.6=4, 5974=1, 5974/1.8=1 QD1 ILE 68 - HB3 ARG 26 poor 5 30 - 17 - 5377/4.6=4, 5974/1.8=1, 5974=1 Peak 5928 from cnoeabs.peaks (0.81, 3.96, 54.22 ppm; 4.21 A): 5 out of 6 assignments used, quality = 0.87: QG2 ILE 68 + HA ALA 28 OK 64 100 - 64 - ~5302=18, ~4758=14...(15) QD1 ILE 68 + HA ALA 28 OK 36 65 - 55 - 4758/2.1=18, 2.1/4176=9...(13) QG1 VAL 41 + HA ALA 28 OK 26 96 - 27 - 4339=6, 2.1/4336=4...(7) QD1 ILE 89 + HA ALA 28 OK 14 100 - 14 - 2.1/4175=3, ~4177=3...(4) QD1 LEU 43 + HA ALA 28 OK 10 78 - 13 - 4177/2.1=1, 3.1/4175=1...(4) QD2 LEU 86 - HA ALA 28 poor 8 71 - 11 - 550/3.6=2, ~5321=2...(4) Peak 5929 from cnoeabs.peaks (4.06, 1.67, 26.82 ppm; 5.02 A): 5 out of 7 assignments used, quality = 0.94: HA ALA 63 + HG LEU 29 OK 75 100 - 75 - 3.0/3766=12, 5348/3.0=11...(25) HA GLU 59 + HG LEU 29 OK 38 96 - 39 - 4639/2.1=11, 4638/3.0=6...(9) HA ARG 26 + HG LEU 29 OK 32 96 - 33 - 5348/3.0=5, ~5516=5...(8) HA VAL 90 + HG LEU 29 OK 29 85 - 33 - 5348/3.0=5, ~414=4...(12) HA ARG 71 + HG LEU 29 OK 28 85 - 32 - 5348/3.0=6, 5349/2.1=4...(8) HD2 PRO 44 - HG LEU 29 OK 21 85 - 25 - 4.8/1499=4, ~4924=4...(9) HA PHE 48 - HG LEU 29 OK 19 63 - 31 - 4468/2.1=4, ~4461=4...(10) Peak 5930 from cnoeabs.peaks (6.82, 1.99, 16.73 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.81: HE22 GLN 61 + QE MET 31 OK 78 96 - 82 - 4.6/5076=13, 4.6/5070=13...(19) QE TYR 55 + QE MET 31 OK 13 100 - 13 - 4213/5075=3, 4615/5075=3 Peak 5931 from cnoeabs.peaks (7.46, 2.07, 32.66 ppm; 5.71 A): 4 out of 6 assignments used, quality = 0.93: HE21 GLN 61 + HB3 MET 31 OK 87 100 - 87 - 4065/3.0=16, 1.7/5911=15...(21) HE21 GLN 61 + HB3 PRO 44 OK 36 46 - 77 - 4068/2.3=15, ~4076=13...(19) HE21 GLN 79 + HB VAL 76 OK 14 54 - 26 - ~5852=12, ~5864=7...(5) HE21 GLN 61 + HB VAL 76 OK 10 64 - 16 - 4064/3.0=2, 1.7/5911=2...(6) HE21 GLN 79 - HB3 MET 31 lone 3 92 - 3 - HE21 GLN 79 - HB3 PRO 44 lone 1 38 - 2 - Peak 5932 from cnoeabs.peaks (7.44, 1.94, 32.66 ppm; 5.69 A): 3 out of 3 assignments used, quality = 0.89: HE21 GLN 61 + HB2 MET 31 OK 72 85 - 85 - 4.6/1535=16, 5931/1.8=14...(20) H LEU 64 + HB2 MET 31 OK 43 83 - 52 - 5082/4.3=21, 4.4/6121=14...(9) H LEU 52 + HB2 MET 31 OK 28 97 - 29 - 5082/4.3=10, 5687/4.0=7...(6) Peak 5933 from cnoeabs.peaks (6.81, 1.76, 26.58 ppm; 5.69 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 55 + HG2 PRO 34 OK 97 100 - 98 - 2.2/4246=47, ~5565=36...(25) HE22 GLN 61 + HG2 PRO 34 OK 65 83 - 79 - 4655/2.3=26, ~5764=19...(20) QE TYR 81 - HG2 PRO 34 OK 22 73 - 30 - 5291/2.3=6, 5934/1.8=5...(9) Peak 5934 from cnoeabs.peaks (6.81, 1.04, 26.58 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.99: QE TYR 55 + HG3 PRO 34 OK 97 100 - 97 - 2.2/5565=47, ~4246=39...(21) HE22 GLN 61 + HG3 PRO 34 OK 63 83 - 76 - 4655/2.3=26, ~5764=20...(15) QE TYR 81 - HG3 PRO 34 OK 21 73 - 28 - 5291/2.3=6, 5933/1.8=5...(8) Peak 5935 from cnoeabs.peaks (6.93, 4.32, 63.87 ppm; 5.45 A): 4 out of 5 assignments used, quality = 0.90: QE PHE 35 + HA PRO 34 OK 70 95 - 74 - 4687/3.6=18, 581/3.6=15...(13) HZ PHE 35 + HA PRO 34 OK 49 93 - 53 - 581/3.6=12, 4245/3.8=10...(10) HZ PHE 48 + HA PRO 34 OK 25 90 - 27 - 581/3.6=6, 4245/3.8=5...(8) HD22 ASN 42 + HA PRO 34 OK 11 99 - 11 - 4245/3.8=2, 581/3.6=2...(4) HD22 ASN 74 - HA PRO 34 lone 1 60 - 2 - Peak 5936 from cnoeabs.peaks (2.60, 2.12, 32.41 ppm; 5.28 A): 4 out of 6 assignments used, quality = 0.91: HB2 ASP 38 + HB2 PRO 36 OK 57 90 - 64 - 4.0/6126=33, 4.7/4867=28...(8) HB3 ASP 38 + HB2 PRO 36 OK 56 89 - 64 - 4.0/6126=33, 4.7/4867=28...(8) HG2 GLN 61 + HB2 PRO 36 OK 45 100 - 46 - 3904/4.0=10, ~5764=7...(15) HB3 ASP 47 + HB2 PRO 36 OK 13 92 - 14 - 4.1/6064=5, 4397/2055=2...(6) HG2 MET 31 - HB2 PRO 36 poor 10 83 - 12 - 5322/4224=1, 4847/5954=1 HB3 ASP 24 - HB2 PRO 36 lone 6 89 - 7 - Peak 5937 from cnoeabs.peaks (2.60, 2.09, 27.61 ppm; 5.30 A): 6 out of 18 assignments used, quality = 0.96: HB2 ASP 38 + HG3 PRO 36 OK 42 80 - 53 - 4.0/4879=15, 4.7/4868=14...(8) HB2 ASP 38 + HG2 PRO 36 OK 42 81 - 52 - 4.0/4879=15, 4.7/4868=14...(8) HG2 GLN 61 + HG2 PRO 36 OK 42 100 - 42 - 5936/2.3=9, ~5764=8...(10) HG2 GLN 61 + HG3 PRO 36 OK 42 100 - 42 - 5936/2.3=9, ~5764=8...(10) HB3 ASP 38 + HG3 PRO 36 OK 41 78 - 53 - 4.0/4879=15, 4.7/4868=14...(8) HB3 ASP 38 + HG2 PRO 36 OK 41 78 - 52 - 4.0/4879=15, 4.7/4868=14...(8) HB3 ASP 47 - HG3 PRO 56 OK 17 70 - 25 - 4.1/4431=4, 4437/2.3=4...(8) HB3 ASP 47 - HG3 PRO 36 OK 12 97 - 12 - 5936/2.3=3, 4.1/4431=2...(5) HB3 ASP 47 - HG2 PRO 36 OK 11 97 - 12 - 5936/2.3=3, 4.1/4431=3...(5) HG2 MET 31 - HG2 PRO 36 poor 8 71 - 12 - 5936/2.3=2 HG2 MET 31 - HG3 PRO 36 poor 8 71 - 12 - 5936/2.3=2 HB3 ASP 24 - HG3 PRO 36 lone 7 95 - 7 - 4835/4274=2, 5936/2.3=1 HB3 ASP 24 - HG2 PRO 36 lone 7 96 - 7 - 4835/4274=2, 5936/2.3=1 HG2 GLN 61 - HG3 PRO 56 lone 6 75 - 8 - HG2 MET 31 - HG3 PRO 56 lone 4 46 - 8 - HB2 ASP 38 - HG3 PRO 56 lone 4 53 - 7 - 4.0/4879=2, 4.7/4868=1 HB3 ASP 38 - HG3 PRO 56 lone 4 51 - 7 - 4.0/4879=2, 4.7/4868=1 HB3 ASP 24 - HG3 PRO 56 lone 4 67 - 5 - Peak 5938 from cnoeabs.peaks (2.97, 4.25, 57.41 ppm; 5.93 A): 6 out of 12 assignments used, quality = 1.00: HE2 LYS 39 + HA LYS 39 OK 96 99 - 98 - 6.2=89, 3.6/1836=17...(36) HE3 LYS 39 + HA LYS 39 OK 95 97 - 98 - 6.2=89, 3.6/1836=17...(36) HE2 LYS 75 + HA LYS 39 OK 75 99 - 77 - 3.5/1837=9, 3.5/1837=9...(52) HE3 LYS 75 + HA LYS 39 OK 75 98 - 77 - 3.5/1837=9, 3.5/1837=9...(52) HE2 LYS 13 + HA LYS 39 OK 47 100 - 47 - 3.8/1837=3, 1870/4.1=3...(20) HE3 LYS 13 + HA LYS 39 OK 47 100 - 47 - 3.8/1837=3, 1870/4.1=3...(20) HE2 LYS 73 - HA LYS 39 OK 41 90 - 45 - 3.7/1837=3, 3.0/1838=3...(21) HE3 LYS 73 - HA LYS 39 OK 40 89 - 45 - 3.7/1837=3, 3.0/1838=3...(21) HE3 LYS 32 - HA LYS 39 OK 32 92 - 35 - 1870/4.1=2, 1880/4.1=2...(8) HE2 LYS 32 - HA LYS 39 OK 31 90 - 35 - 1870/4.1=2, 1880/4.1=2...(8) HB3 TYR 55 - HA LYS 39 poor 9 57 - 16 - ~4666=7, ~4593=1...(4) HB3 TYR 81 - HA LYS 39 lone 8 97 - 9 - ~4683=2, ~6059=1 Peak 5939 from cnoeabs.peaks (6.66, 1.55, 25.35 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.64: QD PHE 35 + HG2 LYS 39 OK 64 96 - 67 - 5940/2.9=20...(22) Peak 5940 from cnoeabs.peaks (6.65, 1.85, 32.41 ppm; 5.81 A): 2 out of 2 assignments used, quality = 0.87: QD PHE 35 + HB2 LYS 39 OK 84 100 - 84 - 5939/2.9=37, 5609/4.4=32...(20) QD PHE 35 + HB2 LYS 75 OK 18 87 - 21 - 4530/5204=4, 4534/5203=4...(5) Peak 5941 from cnoeabs.peaks (7.38, 1.58, 28.78 ppm; 5.71 A): 2 out of 5 assignments used, quality = 1.00: H LYS 39 + HD3 LYS 39 OK 93 96 - 98 - 6.2=79, 1872/3.0=30...(21) H LYS 39 + HD2 LYS 39 OK 93 96 - 98 - 6.2=79, 1872/3.0=30...(21) H LYS 39 - HD2 LYS 73 OK 18 56 - 32 - 1852/3.5=3, 596/2.9=3...(16) H LYS 39 - HD3 LYS 73 OK 18 56 - 32 - 1852/3.5=3, 596/2.9=3...(16) H LYS 39 - HD2 LYS 32 poor 10 56 - 18 - 3.0/1838=2, 594/3.5=1...(11) Peak 5942 from cnoeabs.peaks (6.64, 1.58, 28.78 ppm; 5.40 A): 2 out of 5 assignments used, quality = 0.88: QD PHE 35 + HD3 LYS 39 OK 65 93 - 70 - 5940/3.5=21, 5939/3.0=17...(17) QD PHE 35 + HD2 LYS 39 OK 65 93 - 70 - 5940/3.5=21, 5939/3.0=17...(17) QD PHE 35 - HD2 LYS 32 poor 7 54 - 13 - 4568/6085=2, 3.7/5944=2...(4) QD PHE 35 - HD3 LYS 73 lone 4 54 - 8 - 4568/6085=1 QD PHE 35 - HD2 LYS 73 lone 4 54 - 8 - 4568/6085=1 Peak 5944 from cnoeabs.peaks (4.99, 1.58, 28.78 ppm; 5.52 A): 2 out of 5 assignments used, quality = 0.73: HA PHE 35 + HD3 LYS 39 OK 48 100 - 48 - 3.7/5942=14, 3.8/5209=8...(10) HA PHE 35 + HD2 LYS 39 OK 48 100 - 48 - 3.7/5942=14, 3.8/5209=8...(10) HA PHE 35 - HD2 LYS 32 lone 6 62 - 10 - ~5561=2, 3.7/5942=2...(4) HA PHE 35 - HD3 LYS 73 lone 3 62 - 4 - HA PHE 35 - HD2 LYS 73 lone 3 62 - 4 - Peak 5945 from cnoeabs.peaks (1.98, 1.58, 28.78 ppm; 5.52 A): 4 out of 54 assignments used, quality = 0.96: HB2 LEU 64 + HD2 LYS 39 OK 61 95 - 64 - 2623/3.0=8, ~5206=8...(23) HB2 LEU 64 + HD3 LYS 39 OK 61 94 - 64 - 2623/3.0=8, ~5206=8...(23) HG LEU 43 + HD3 LYS 39 OK 48 100 - 49 - ~4909=6, ~5206=5...(17) HG LEU 43 + HD2 LYS 39 OK 48 100 - 48 - ~4909=6, ~5206=5...(16) QE MET 31 - HD2 LYS 32 poor 8 64 - 12 - 5087/6.1=7, 5079/5.1=3 QE MET 31 - HD3 LYS 32 poor 7 59 - 12 - 5087/6.1=7, 5079/5.1=3 HB2 LEU 64 - HD2 LYS 32 poor 7 57 - 12 - ~5162=2, 5016/6.1=2, 4695/5.1=1 QE MET 31 - HD2 LYS 39 lone 7 100 - 7 - 5081/5.0=1 QE MET 31 - HD3 LYS 39 lone 7 100 - 7 - 5081/5.0=1 HB2 LEU 64 - HD3 LYS 32 poor 6 52 - 12 - ~5162=2, 5016/6.1=2, 4695/5.1=1 HG3 PRO 14 - HD3 LYS 39 lone 5 100 - 5 - HG2 PRO 14 - HD3 LYS 39 lone 5 100 - 5 - HG3 PRO 14 - HD2 LYS 39 lone 5 100 - 5 - HG2 PRO 14 - HD2 LYS 39 lone 5 100 - 5 - HG LEU 43 - HD3 LYS 73 lone 5 65 - 8 - HG LEU 43 - HD2 LYS 73 lone 5 65 - 8 - HG2 ARG 66 - HD2 LYS 32 poor 4 37 - 11 - 3927/6.1=2, 2699/5.1=1 HB3 GLN 79 - HD2 LYS 73 lone 4 61 - 6 - ~5446=1 HB3 GLN 79 - HD3 LYS 73 lone 4 61 - 6 - ~5446=1 HG2 ARG 66 - HD3 LYS 32 poor 4 34 - 11 - 3927/6.1=2, 2699/5.1=1 HB2 LEU 64 - HD2 LYS 73 lone 4 57 - 6 - HB2 LEU 64 - HD3 LYS 73 lone 4 57 - 6 - HG LEU 43 - HD2 LYS 32 lone 3 65 - 5 - HB3 GLN 79 - HD3 LYS 39 lone 3 97 - 3 - HB3 GLN 79 - HD2 LYS 39 lone 3 97 - 3 - HG2 ARG 66 - HD3 LYS 39 lone 3 68 - 5 - HB2 GLN 79 - HD2 LYS 73 lone 3 50 - 6 - ~5446=1 HB2 GLN 79 - HD3 LYS 73 lone 3 50 - 6 - ~5446=1 HG2 ARG 66 - HD2 LYS 39 lone 3 68 - 5 - HG LEU 43 - HD3 LYS 32 lone 3 59 - 5 - HB2 GLN 79 - HD3 LYS 39 lone 3 87 - 3 - HB2 GLN 79 - HD2 LYS 39 lone 3 87 - 3 - QE MET 31 - HD2 LYS 73 lone 2 64 - 4 - QE MET 31 - HD3 LYS 73 lone 2 64 - 4 - HG3 PRO 14 - HD2 LYS 32 lone 2 65 - 4 - HG2 PRO 14 - HD2 LYS 32 lone 2 65 - 4 - HB3 MET 11 - HD3 LYS 39 lone 2 78 - 3 - HB3 MET 11 - HD2 LYS 39 lone 2 78 - 3 - HG2 PRO 14 - HD3 LYS 32 lone 2 60 - 4 - HG3 PRO 14 - HD3 LYS 32 lone 2 60 - 4 - HB3 GLN 79 - HD2 LYS 32 lone 2 61 - 3 - HB3 GLN 79 - HD3 LYS 32 lone 2 55 - 3 - HG2 ARG 66 - HD2 LYS 73 lone 2 37 - 5 - HG2 ARG 66 - HD3 LYS 73 lone 2 37 - 5 - HB2 GLN 79 - HD2 LYS 32 lone 2 50 - 3 - HG2 PRO 14 - HD3 LYS 73 lone 2 65 - 2 - HG3 PRO 14 - HD3 LYS 73 lone 2 65 - 2 - HG2 PRO 14 - HD2 LYS 73 lone 2 65 - 2 - HG3 PRO 14 - HD2 LYS 73 lone 2 65 - 2 - HB2 GLN 79 - HD3 LYS 32 lone 2 46 - 3 - HB3 MET 11 - HD2 LYS 32 lone 1 44 - 2 - HB3 MET 11 - HD2 LYS 73 lone 1 44 - 2 - HB3 MET 11 - HD3 LYS 73 lone 1 44 - 2 - HB3 MET 11 - HD3 LYS 32 lone 1 40 - 2 - Peak 5946 from cnoeabs.peaks (0.19, 1.23, 28.19 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 51 + HG13 ILE 40 OK 92 100 - 92 - 5947/1.8=32, 5173/2.1=28...(17) Peak 5947 from cnoeabs.peaks (0.17, 1.90, 28.19 ppm; 6.03 A): 1 out of 1 assignment used, quality = 0.87: QD2 LEU 51 + HG12 ILE 40 OK 87 90 - 96 - 5173/2.1=47, 4301/3.2=46...(19) Peak 5948 from cnoeabs.peaks (1.57, 1.99, 26.77 ppm; 4.58 A): 6 out of 39 assignments used, quality = 0.96: HG LEU 62 + HG LEU 43 OK 47 100 - 47 - 5213/2.1=5, ~2576=4...(23) HB3 LEU 29 + HG LEU 43 OK 47 98 - 48 - 5213/2.1=5, ~2032=5...(19) HB3 LEU 62 + HG LEU 43 OK 43 89 - 49 - ~2576=5, 5213/2.1=5...(23) HB3 LEU 51 + HG LEU 43 OK 41 63 - 65 - ~4917=24, ~4916=21...(8) HD3 LYS 39 + HG LEU 43 OK 36 97 - 37 - ~4909=4, 5213/2.1=4...(14) HD2 LYS 39 + HG LEU 43 OK 35 96 - 37 - ~4909=4, 5213/2.1=4...(14) HG2 LYS 39 - HG LEU 43 OK 27 76 - 36 - 6087/5641=5, ~5206=5...(12) HB3 LEU 86 - HG LEU 43 OK 20 99 - 20 - 5213/2.1=2, ~5214=2...(9) HG LEU 86 - HG LEU 43 OK 13 65 - 20 - 5214/2.1=2, ~2042=2...(10) HB3 ARG 54 - HG LEU 43 OK 13 76 - 17 - 4.1/2023=3, ~5295=2...(6) HG3 ARG 54 - HG LEU 43 OK 11 100 - 11 - 4.9/2023=3, 5213/2.1=2...(5) HG2 ARG 84 - HG LEU 43 lone 8 78 - 10 - HG3 ARG 84 - HG LEU 43 lone 8 78 - 10 - HG LEU 62 - HG3 PRO 14 poor 8 61 - 12 - ~5957=4, ~5960=2, ~5304=1 HG LEU 62 - HG2 PRO 14 poor 8 61 - 12 - ~5957=4, ~5960=2, ~5304=1 HB3 LEU 62 - HG2 PRO 14 poor 6 50 - 11 - ~5957=3, ~5960=1 HB3 LEU 62 - HG3 PRO 14 poor 6 50 - 11 - ~5957=3, ~5960=1 HB3 LEU 51 - HG3 PRO 14 poor 4 32 - 12 - 3.1/5641=3, ~5680=2...(4) HB3 LEU 51 - HG2 PRO 14 poor 4 32 - 12 - 3.1/5641=3, ~5680=2...(4) HB3 LEU 29 - HG2 PRO 14 lone 3 59 - 5 - HB3 LEU 29 - HG3 PRO 14 lone 3 59 - 5 - HG2 LYS 39 - HG3 PRO 14 lone 3 40 - 7 - ~4820=1 HG2 LYS 39 - HG2 PRO 14 lone 3 40 - 7 - ~4820=1 HG3 ARG 54 - HG2 PRO 14 lone 2 61 - 4 - HG3 ARG 54 - HG3 PRO 14 lone 2 61 - 4 - HD3 LYS 39 - HG3 PRO 14 lone 2 57 - 4 - HD3 LYS 39 - HG2 PRO 14 lone 2 57 - 4 - HD2 LYS 39 - HG3 PRO 14 lone 2 56 - 4 - HD2 LYS 39 - HG2 PRO 14 lone 2 56 - 4 - HB3 LEU 86 - HG2 PRO 14 lone 2 60 - 3 - HB3 LEU 86 - HG3 PRO 14 lone 2 60 - 3 - HB3 ARG 54 - HG3 PRO 14 lone 2 40 - 4 - HB3 ARG 54 - HG2 PRO 14 lone 2 40 - 4 - HG2 ARG 84 - HG3 PRO 14 lone 1 42 - 3 - HG2 ARG 84 - HG2 PRO 14 lone 1 42 - 3 - HG3 ARG 84 - HG3 PRO 14 lone 1 42 - 3 - HG3 ARG 84 - HG2 PRO 14 lone 1 42 - 3 - HG LEU 86 - HG3 PRO 14 lone 1 34 - 3 - HG LEU 86 - HG2 PRO 14 lone 1 34 - 3 - Peak 5949 from cnoeabs.peaks (7.23, 1.31, 27.15 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.86: H ALA 53 + HG2 ARG 54 OK 74 99 - 75 - 207/4.9=30, 4973/4.8=26...(14) H ILE 40 + HG2 ARG 54 OK 46 92 - 50 - 5307/3.0=12, 5306/3.0=11...(11) Peak 5950 from cnoeabs.peaks (7.33, 1.58, 27.15 ppm; 5.45 A): 1 out of 5 assignments used, quality = 0.96: QD TYR 55 + HG3 ARG 54 OK 96 97 - 99 - 4968/1.8=40, 687/4.8=37...(33) QD TYR 55 - HG LEU 62 OK 36 85 - 42 - 4655/2.1=7, ~4646=6...(19) QD TYR 55 - HG LEU 86 OK 14 65 - 22 - 4655/2.1=4, ~4646=3...(7) QD TYR 55 - HG3 ARG 84 lone 7 76 - 9 - QD TYR 55 - HG2 ARG 84 lone 7 76 - 9 - Peak 5951 from cnoeabs.peaks (7.21, 1.58, 27.15 ppm; 6.50 A): 4 out of 10 assignments used, quality = 0.92: H ALA 53 + HG3 ARG 54 OK 80 100 - 81 - 207/4.9=36, 4973/4.8=32...(13) H ILE 40 + HG3 ARG 54 OK 38 63 - 60 - 5949/1.8=16, 5307/3.0=12...(14) H ALA 53 + HG LEU 62 OK 23 89 - 26 - 205/5236=6, 4.6/2331=4...(6) H ILE 40 + HG LEU 62 OK 17 51 - 34 - ~5123=4, ~5960=4...(12) H ALA 53 - HG2 ARG 84 poor 9 80 - 11 - 4964/1.8=1 H ALA 53 - HG3 ARG 84 poor 9 80 - 11 - 4964/1.8=1 H ALA 53 - HG LEU 86 poor 9 69 - 13 - 4.5/196=2 H ILE 40 - HG LEU 86 poor 6 37 - 15 - 3.6/1839=2, 4.4/1849=2...(7) H ILE 40 - HG2 ARG 84 lone 4 44 - 9 - 3.6/1839=1, 4.6/598=1 H ILE 40 - HG3 ARG 84 lone 4 44 - 9 - 3.6/1839=1, 4.6/598=1 Peak 5954 from cnoeabs.peaks (2.13, 0.71, 23.03 ppm; 5.65 A): 4 out of 4 assignments used, quality = 0.90: HG3 GLN 61 + QD2 LEU 57 OK 66 68 - 97 - 1.8/5955=36, 3.0/4985=25...(24) HB2 PRO 36 + QD2 LEU 57 OK 40 97 - 41 - 4.0/5738=12, 3.0/4605=11...(9) HB ILE 40 + QD2 LEU 57 OK 34 96 - 36 - 5615/5742=13, 2.9/4611=3...(13) HG3 PRO 44 + QD2 LEU 57 OK 27 100 - 27 - 5753/4.8=4, 5135/5955=4...(10) Peak 5955 from cnoeabs.peaks (2.58, 0.71, 23.03 ppm; 5.40 A): 1 out of 4 assignments used, quality = 0.76: HG2 GLN 61 + QD2 LEU 57 OK 76 78 - 97 - 3.0/4985=24, 1.8/4666=22...(26) HB3 ASP 24 - QD2 LEU 57 lone 8 98 - 8 - HB3 ASP 47 - QD2 LEU 57 lone 6 97 - 6 - HB2 ASP 24 - QD2 LEU 57 lone 2 73 - 3 - Peak 5956 from cnoeabs.peaks (2.38, 1.00, 27.02 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.87: HB VAL 65 + QD1 LEU 57 OK 84 100 - 84 - 4707=39, ~4725=21...(14) HG3 MET 11 + QD1 LEU 57 OK 19 100 - 19 - 4707=7, 5963/4613=4...(5) HG2 GLU 59 - QD1 LEU 57 lone 6 95 - 6 - 4998/6069=3 HG2 GLU 50 - QD1 LEU 57 lone 5 92 - 6 - 4998/6069=2, 4955/4613=1 Peak 5957 from cnoeabs.peaks (3.80, 0.93, 24.73 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.87: HA LEU 52 + QD2 LEU 62 OK 84 99 - 85 - 3.9/4680=38, 3.9/5237=38...(17) HD2 PRO 14 + QD2 LEU 62 OK 20 95 - 21 - 2280/4680=5, 2287/5237=4...(7) Peak 5958 from cnoeabs.peaks (3.18, 0.93, 24.73 ppm; 5.36 A): 7 out of 13 assignments used, quality = 0.80: HD2 ARG 26 + QD2 LEU 62 OK 31 99 - 32 - 6.1/5962=7, 4.8/4679=3...(8) HD3 ARG 26 + QD2 LEU 62 OK 31 99 - 31 - 6.1/5962=7, 4.8/4679=3...(8) HD3 ARG 66 + QD2 LEU 62 OK 19 100 - 19 - 6.2/4732=4, 5961/2.1=2...(6) HD2 ARG 66 + QD2 LEU 62 OK 19 99 - 19 - 6.2/4732=4, 5961/2.1=2...(6) HD3 ARG 71 + QD2 LEU 62 OK 16 87 - 18 - 5.8/5834=3, 3.0/2594=2 HD3 ARG 70 + QD2 LEU 62 OK 15 78 - 19 - 5961/2.1=2, 6.3/5830=2...(6) HD2 ARG 70 + QD2 LEU 62 OK 14 73 - 19 - 5961/2.1=2, 6.3/5830=2...(6) HD3 ARG 23 - QD2 LEU 62 lone 7 89 - 8 - HD2 ARG 23 - QD2 LEU 62 lone 7 89 - 8 - HD2 ARG 27 - QD2 LEU 62 lone 6 95 - 6 - HD3 ARG 27 - QD2 LEU 62 lone 6 95 - 6 - HD2 ARG 17 - QD2 LEU 62 lone 6 78 - 7 - 3.6/2594=1 HD3 ARG 17 - QD2 LEU 62 lone 6 78 - 7 - 3.6/2594=1 Peak 5959 from cnoeabs.peaks (3.46, 0.87, 24.45 ppm; 4.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5960 from cnoeabs.peaks (3.61, 0.87, 24.45 ppm; 4.55 A): 5 out of 15 assignments used, quality = 0.65: HA VAL 65 + QD1 LEU 62 OK 39 71 - 56 - ~5001=9, 3.0/5239=7...(16) HA ARG 69 + QD1 LEU 62 OK 15 76 - 19 - ~3910=3, ~292=2...(9) HA ILE 40 + QD1 LEU 62 OK 14 65 - 22 - 5123/3.1=2, ~604=2...(12) HA VAL 65 + QD1 LEU 29 OK 13 69 - 19 - ~269=4, 3.0/5239=2...(7) HD3 PRO 14 + QD1 LEU 62 OK 10 97 - 10 - ~5957=5, 3.0/5304=1 HA ARG 69 - QD1 LEU 29 poor 9 74 - 12 - 3.6/1504=2, 3940/4.8=1...(6) HA VAL 65 - QD1 LEU 86 poor 8 58 - 14 - ~269=2, 5313/4.9=2...(8) HA VAL 41 - QD1 LEU 62 poor 7 63 - 12 - ~140=1, ~612=1, ~2576=1, ~1978=1 HD3 PRO 14 - QD1 LEU 29 lone 5 95 - 6 - 4821/2.1=1 HA ARG 69 - QD1 LEU 86 lone 5 62 - 8 - 3.6/1504=1 HA ILE 40 - QD1 LEU 86 lone 4 53 - 7 - HA ILE 40 - QD1 LEU 29 lone 4 63 - 6 - HD3 PRO 14 - QD1 LEU 86 lone 2 84 - 3 - HA VAL 41 - QD1 LEU 29 lone 2 61 - 3 - HA VAL 41 - QD1 LEU 86 lone 1 51 - 2 - Peak 5961 from cnoeabs.peaks (3.20, 0.87, 24.45 ppm; 4.72 A): 16 out of 27 assignments used, quality = 0.94: HD3 ARG 26 + QD1 LEU 62 OK 21 81 - 27 - 5958/2.1=4, ~5958=4...(8) HD2 ARG 26 + QD1 LEU 62 OK 21 78 - 27 - 5958/2.1=4, ~5958=4...(8) HD3 ARG 70 + QD1 LEU 29 OK 20 97 - 20 - 5832=3, 1.8/5832=3...(5) HD2 ARG 70 + QD1 LEU 29 OK 19 96 - 20 - 5832=3, 1.8/5832=3...(5) HD2 ARG 66 + QD1 LEU 29 OK 19 98 - 19 - 5832=3, 1.8/5832=2...(5) HD3 ARG 66 + QD1 LEU 29 OK 19 96 - 19 - 5832=3, 1.8/5832=2...(5) HD3 ARG 70 + QD1 LEU 86 OK 17 87 - 19 - 5832=3, 1.8/5832=3...(4) HD3 ARG 70 + QD1 LEU 62 OK 17 99 - 17 - 5832=3, 1.8/5832=2...(4) HD2 ARG 70 + QD1 LEU 62 OK 17 97 - 17 - 5832=3, 1.8/5832=2...(4) HD2 ARG 70 + QD1 LEU 86 OK 16 85 - 19 - 5832=3, 1.8/5832=3...(4) HD2 ARG 66 + QD1 LEU 62 OK 15 99 - 15 - 5958/2.1=3, ~5958=2...(4) HD3 ARG 71 + QD1 LEU 62 OK 15 100 - 15 - 5958/2.1=2, 4.7/4805=2...(5) HD3 ARG 66 + QD1 LEU 62 OK 15 98 - 15 - 5958/2.1=3, ~5958=2...(4) HD3 ARG 26 + QD1 LEU 29 OK 12 78 - 15 - 6.1/5516=4, 4.8/4805=2, ~5375=1 HD2 ARG 26 + QD1 LEU 29 OK 12 76 - 15 - 6.1/5516=4, 4.8/4805=2, ~5375=1 HD3 ARG 71 + QD1 LEU 29 OK 10 99 - 11 - 5.8/5367=2, 4.7/4805=2, 5832=1 HD3 ARG 26 - QD1 LEU 86 poor 8 67 - 12 - 6.1/5516=2 HD3 ARG 71 - QD1 LEU 86 lone 8 89 - 9 - HD2 ARG 26 - QD1 LEU 86 poor 8 65 - 12 - 6.1/5516=2 HD2 ARG 66 - QD1 LEU 86 lone 7 87 - 8 - 5832=1 HD3 ARG 66 - QD1 LEU 86 lone 7 86 - 8 - 5832=1 HD3 ARG 27 - QD1 LEU 62 lone 3 65 - 5 - HD2 ARG 27 - QD1 LEU 62 lone 3 65 - 5 - HD3 ARG 27 - QD1 LEU 29 lone 3 63 - 4 - HD2 ARG 27 - QD1 LEU 29 lone 3 63 - 4 - HD3 ARG 27 - QD1 LEU 86 lone 2 53 - 4 - HD2 ARG 27 - QD1 LEU 86 lone 2 53 - 4 - Peak 5962 from cnoeabs.peaks (8.14, 0.93, 24.73 ppm; 5.79 A): 3 out of 5 assignments used, quality = 0.75: H LEU 57 + QD2 LEU 62 OK 47 98 - 49 - 3.8/4599=15, 5747/2.1=12...(7) H ARG 26 + QD2 LEU 62 OK 42 97 - 44 - 5516/2.1=10, 3.0/4679=5...(14) H ASN 74 + QD2 LEU 62 OK 17 97 - 18 - 4.5/5263=4, 3.6/5402=2...(6) H ALA 78 - QD2 LEU 62 lone 7 99 - 7 - 5861=2 H THR 88 - QD2 LEU 62 lone 5 97 - 5 - Peak 5963 from cnoeabs.peaks (0.51, 2.39, 31.50 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 52 + HB VAL 65 OK 96 99 - 97 - 4728/2.1=49, 4726/2.1=49...(19) QD2 LEU 52 - HG3 MET 11 OK 32 99 - 32 - 4955=10, 4728/2666=6...(8) Peak 5964 from cnoeabs.peaks (0.81, 1.23, 22.65 ppm; 4.55 A): 3 out of 6 assignments used, quality = 0.91: QG2 ILE 68 + QG1 VAL 65 OK 74 100 - 74 - 4751/3.2=10, 5249/5035=9...(25) QG1 VAL 41 + QG1 VAL 65 OK 44 90 - 49 - 4903=6, 2.1/5034=6...(16) QD1 LEU 43 + QG1 VAL 65 OK 37 87 - 42 - 4917/6104=9, 4703/3.2=6...(12) QD1 ILE 89 - QG1 VAL 65 lone 9 100 - 9 - QD2 LEU 86 - QG1 VAL 65 poor 9 81 - 11 - 269/4.0=1, ~5960=1...(6) QG2 ILE 89 - QG1 VAL 65 lone 4 57 - 7 - 6122/4729=1, 269/4.0=1 Peak 5965 from cnoeabs.peaks (0.82, 1.21, 23.08 ppm; 3.83 A): 5 out of 8 assignments used, quality = 0.87: QG2 ILE 68 + QG2 VAL 65 OK 51 96 - 53 - 4751/3.2=7, 2.1/4749=7...(19) QD2 LEU 64 + QG2 VAL 65 OK 46 73 - 62 - 4.4/4715=12, 2.1/4724=10...(18) QD1 LEU 43 + QG2 VAL 65 OK 30 98 - 30 - 2.1/4724=5, 4703/3.2=5...(9) QG1 VAL 41 + QG2 VAL 65 OK 23 71 - 33 - 2.1/4724=5, 4903/2.1=4...(11) QD2 LEU 29 + QG2 VAL 65 OK 12 73 - 16 - 269/4.0=3, 4.8/4714=2...(7) QD2 LEU 86 - QG2 VAL 65 lone 9 96 - 9 - 269/4.0=2, 2.1/5006=1 QD1 ILE 89 - QG2 VAL 65 lone 6 97 - 6 - 6122/4725=1, 2.1/1670=1 QG2 ILE 89 - QG2 VAL 65 lone 6 81 - 7 - 6122/4725=2, 269/4.0=1 Peak 5966 from cnoeabs.peaks (7.17, 1.70, 28.91 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.73: QE PHE 48 + HG3 ARG 66 OK 73 95 - 77 - 6072/4.1=32, 2.2/5967=16...(14) Peak 5967 from cnoeabs.peaks (6.96, 1.70, 28.91 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.90: HZ PHE 48 + HG3 ARG 66 OK 67 97 - 69 - 2.2/5966=37, 5969/1.8=15...(10) QE PHE 35 + HG3 ARG 66 OK 50 93 - 54 - 4582/5970=11...(12) HZ PHE 35 + HG3 ARG 66 OK 42 95 - 44 - 5969/1.8=9, ~5969=8...(9) HD22 ASN 42 - HG3 ARG 66 lone 6 81 - 8 - 5969/1.8=2, 4735/4.1=2, ~4906=1 Peak 5968 from cnoeabs.peaks (7.12, 2.01, 28.91 ppm; 5.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5969 from cnoeabs.peaks (6.95, 2.01, 28.91 ppm; 5.27 A): 3 out of 8 assignments used, quality = 0.88: HZ PHE 48 + HG2 ARG 66 OK 62 100 - 63 - ~5966=28, 5967/1.8=16...(7) QE PHE 35 + HG2 ARG 66 OK 47 99 - 48 - 5967/1.8=12, 4735/4.1=10...(10) HZ PHE 35 + HG2 ARG 66 OK 38 99 - 39 - 5967/1.8=10, ~5967=9...(8) HD22 ASN 42 - HG2 ARG 66 lone 7 92 - 7 - 5967/1.8=2, 4735/4.1=2, ~4906=1 HZ PHE 48 - HB3 GLN 79 lone 4 88 - 4 - QE PHE 35 - HB3 GLN 79 lone 4 86 - 4 - HZ PHE 35 - HB3 GLN 79 lone 3 86 - 4 - HD22 ASN 42 - HB3 GLN 79 lone 2 77 - 2 - Peak 5970 from cnoeabs.peaks (0.43, 1.70, 28.91 ppm; 5.70 A): 0 out of 1 assignment used, low quality = 0.41: QD1 LEU 52 - HG3 ARG 66 OK 41 93 - 44 - 4614/5966=15, 4956/1.8=8...(10) Peak 5971 from cnoeabs.peaks (7.17, 3.19, 43.48 ppm; 5.25 A): 2 out of 13 assignments used, quality = 0.85: QE PHE 48 + HD2 ARG 66 OK 61 93 - 66 - 5966/3.0=33, 6072/5.2=24...(7) QE PHE 48 + HD3 ARG 66 OK 61 93 - 66 - 5966/3.0=33, 6072/5.2=24...(7) QE PHE 48 - HD3 ARG 70 poor 9 82 - 11 - 4604/5.3=4, 6072/2680=2 QE PHE 48 - HD2 ARG 70 poor 8 78 - 11 - 4604/5.3=4, 6072/2680=2 QE PHE 48 - HD3 ARG 71 lone 3 48 - 6 - ~2157=2 QE PHE 48 - HD3 ARG 26 lone 2 45 - 5 - 5966/2713=1, 6072/2681=1 QE PHE 48 - HD2 ARG 26 lone 2 44 - 5 - 5966/2713=1, 6072/2681=1 QE PHE 48 - HD3 ARG 27 lone 1 38 - 3 - QE PHE 48 - HD2 ARG 27 lone 1 38 - 3 - QE PHE 48 - HD2 ARG 23 lone 1 32 - 3 - QE PHE 48 - HD3 ARG 23 lone 1 32 - 3 - QE PHE 48 - HD2 ARG 17 lone 1 25 - 2 - QE PHE 48 - HD3 ARG 17 lone 1 25 - 2 - Peak 5972 from cnoeabs.peaks (7.94, 3.19, 43.48 ppm; 5.21 A): 8 out of 65 assignments used, quality = 1.00: H ARG 70 + HD3 ARG 70 OK 79 87 - 91 - 6.3=57, 2864/3.0=16...(18) H ARG 70 + HD2 ARG 70 OK 76 83 - 91 - 6.3=57, 2864/3.0=16...(18) H ASP 67 + HD2 ARG 66 OK 70 96 - 73 - 276/6.2=23, 278/3.4=13...(16) H ASP 67 + HD3 ARG 66 OK 70 95 - 73 - 276/6.2=23, 278/3.4=13...(16) H ARG 70 + HD2 ARG 66 OK 69 97 - 71 - 5802/3.0=9, 769/3.4=7...(29) H ARG 70 + HD3 ARG 66 OK 69 97 - 71 - 5802/3.0=9, 768/3.4=7...(29) H ASP 67 + HD3 ARG 70 OK 55 84 - 65 - ~5052=13, 281/3.0=8...(19) H ASP 67 + HD2 ARG 70 OK 52 81 - 65 - ~5052=13, 281/3.0=8...(19) H LYS 32 - HD2 ARG 66 OK 31 100 - 31 - 91/3.4=5, 5802/3.0=5...(8) H LYS 32 - HD3 ARG 66 OK 31 100 - 31 - 91/3.4=5, 5802/3.0=5...(8) H LYS 32 - HD3 ARG 70 OK 27 92 - 30 - 2864/3.0=5, 91/3.5=4...(9) H LYS 32 - HD2 ARG 70 OK 26 88 - 30 - 2864/3.0=5, 91/3.5=4...(9) H LEU 29 - HD2 ARG 66 OK 18 98 - 18 - 5802/3.0=3, 3927/3.0=2...(6) H LEU 29 - HD3 ARG 66 OK 18 98 - 18 - 5802/3.0=3, 3927/3.0=2...(6) H ARG 70 - HD3 ARG 71 OK 17 52 - 32 - 5390/5.8=15, 771/3.0=4...(6) H VAL 76 - HD2 ARG 66 OK 15 89 - 17 - 812/5.2=2, 5802/3.0=2...(7) H VAL 76 - HD3 ARG 66 OK 15 88 - 17 - 812/5.2=2, 5802/3.0=2...(7) H LEU 29 - HD3 ARG 70 OK 15 88 - 17 - 2864/3.0=4, 2840/5.3=2...(4) H LEU 29 - HD2 ARG 70 OK 14 84 - 17 - 2864/3.0=4, 2840/5.3=2...(4) H ASP 67 - HD3 ARG 26 OK 13 47 - 28 - 5808/4.8=5, 278/3.5=3...(9) H ASP 67 - HD3 ARG 71 OK 13 50 - 26 - 5808/4.7=8, 303/5.8=4...(9) H ASP 67 - HD2 ARG 26 OK 13 46 - 28 - 5808/4.8=5, 278/3.5=3...(9) H VAL 76 - HD3 ARG 70 OK 12 77 - 16 - 2864/3.0=3, 2840/5.3=3...(6) H VAL 76 - HD2 ARG 70 OK 12 73 - 16 - 2864/3.0=3, 2840/5.3=3...(6) H LEU 29 - HD3 ARG 71 poor 9 53 - 16 - 4184/4.7=7, 303/5.8=3 H LYS 32 - HD3 ARG 71 poor 8 56 - 14 - 303/5.8=3, 5542/3.0=2 H LEU 29 - HD3 ARG 26 poor 7 50 - 14 - 4184/4.8=5, 4.6/5528=2...(5) H ARG 70 - HD3 ARG 26 poor 7 49 - 14 - 4.6/5833=3, 771/3.0=1 H LEU 29 - HD2 ARG 26 poor 7 48 - 14 - 4184/4.8=5, 4.6/5528=2...(5) H ARG 70 - HD2 ARG 26 poor 6 48 - 13 - 4.6/5833=3, 771/3.0=1 H VAL 76 - HD3 ARG 71 poor 5 44 - 11 - 303/5.8=3, 340/3.5=2, 340/3.5=2 H LEU 29 - HD2 ARG 27 poor 5 42 - 12 - 4184/5.4=5, 4.6/5528=2 H LEU 29 - HD3 ARG 27 poor 5 42 - 12 - 4184/5.4=5, 4.6/5528=2 H ASP 67 - HD3 ARG 27 poor 4 40 - 11 - 5806=1, 278/3.5=1, 278/3.5=1 H ASP 67 - HD2 ARG 27 poor 4 40 - 11 - 5806=1, 278/3.5=1, 278/3.5=1 H LYS 32 - HD3 ARG 26 lone 4 53 - 8 - H LYS 32 - HD2 ARG 26 lone 4 52 - 8 - H ASP 67 - HD3 ARG 23 lone 3 34 - 9 - 4741/5019=1 H ASP 67 - HD2 ARG 23 lone 3 34 - 9 - 4741/5019=1 H ARG 70 - HD2 ARG 27 lone 3 41 - 6 - H ARG 70 - HD3 ARG 27 lone 3 41 - 6 - H VAL 76 - HD3 ARG 27 lone 2 35 - 7 - 340/3.5=2, 340/3.5=2 H VAL 76 - HD2 ARG 27 lone 2 35 - 7 - 340/3.5=2, 340/3.5=2 H LEU 29 - HD2 ARG 23 lone 2 36 - 6 - 548/2.9=1 H LEU 29 - HD3 ARG 23 lone 2 36 - 6 - 548/2.9=1 H LYS 32 - HD2 ARG 27 lone 2 45 - 5 - H LYS 32 - HD3 ARG 27 lone 2 45 - 5 - H ARG 70 - HD3 ARG 17 lone 2 27 - 6 - 771/3.0=1, 771/3.0=1 H ARG 70 - HD2 ARG 17 lone 2 27 - 6 - 771/3.0=1, 771/3.0=1 H ASP 67 - HD2 ARG 17 lone 2 26 - 6 - H ASP 67 - HD3 ARG 17 lone 2 26 - 6 - H VAL 76 - HD3 ARG 26 lone 2 42 - 4 - H LYS 32 - HD3 ARG 17 lone 2 30 - 5 - H LYS 32 - HD2 ARG 17 lone 2 30 - 5 - H VAL 76 - HD2 ARG 26 lone 1 41 - 4 - H VAL 76 - HD3 ARG 23 lone 1 30 - 4 - H VAL 76 - HD2 ARG 23 lone 1 30 - 4 - H LYS 32 - HD2 ARG 23 lone 1 38 - 3 - H LYS 32 - HD3 ARG 23 lone 1 38 - 3 - H LEU 29 - HD3 ARG 17 lone 1 28 - 4 - H LEU 29 - HD2 ARG 17 lone 1 28 - 4 - H ARG 70 - HD2 ARG 23 lone 1 35 - 3 - H ARG 70 - HD3 ARG 23 lone 1 35 - 3 - H VAL 76 - HD2 ARG 17 lone 1 23 - 3 - H VAL 76 - HD3 ARG 17 lone 1 23 - 3 - Peak 5973 from cnoeabs.peaks (1.83, 3.51, 65.41 ppm; 4.19 A): 7 out of 14 assignments used, quality = 0.89: HB2 ARG 71 + HA ILE 68 OK 49 78 - 62 - 4.0/5389=23, 2.8/5985=19...(9) HB3 ARG 71 + HA ILE 68 OK 47 76 - 62 - 4.0/5389=23, 2.8/5985=19...(9) HB2 ARG 69 + HA ILE 68 OK 23 63 - 36 - 760/3.6=8, ~4767=5...(11) HB2 LYS 73 + HA ILE 68 OK 20 99 - 20 - 4.0/3934=3, 2968/3.6=3...(11) HB2 LYS 75 + HA ILE 68 OK 16 96 - 17 - 4.0/5815=4, 2968/3.6=2...(6) HB ILE 89 + HA ILE 68 OK 12 99 - 11 - 3610/3.2=2, 3.2/2745=2...(4) HB2 LYS 39 + HA ILE 68 OK 10 73 - 14 - ~5818=2, 5111/3.2=2...(6) HB2 ARG 27 - HA ILE 68 lone 6 78 - 8 - 5927/4.1=1, 1.8/5392=1 HB3 ARG 27 - HA ILE 68 lone 6 76 - 8 - 5927/4.1=1, 1.8/5392=1 HB2 LYS 85 - HA ILE 68 lone 5 63 - 8 - 4.0/5815=2, 760/3.6=1 HB2 ARG 23 - HA ILE 68 lone 5 90 - 6 - ~5818=1 HB3 ARG 23 - HA ILE 68 lone 5 89 - 6 - ~5818=1 HB2 ARG 17 - HA ILE 68 lone 4 98 - 4 - HB3 ARG 84 - HA ILE 68 lone 3 63 - 5 - 4.6/5815=2 Peak 5974 from cnoeabs.peaks (1.85, 0.78, 13.94 ppm; 3.85 A): 10 out of 13 assignments used, quality = 0.87: HB3 ARG 71 + QD1 ILE 68 OK 24 100 - 24 - 4.4/3939=4, 5392/4.1=4...(8) HB2 ARG 71 + QD1 ILE 68 OK 24 100 - 24 - 4.4/3939=4, 5392/4.1=4...(8) HB2 ARG 66 + QD1 ILE 68 OK 22 78 - 29 - 2.8/5251=5, 2.8/5252=3...(12) HB2 LYS 39 + QD1 ILE 68 OK 21 100 - 21 - 2.9/4759=5, 3.0/4765=2...(6) HB3 PRO 34 + QD1 ILE 68 OK 18 83 - 21 - 2.3/5247=8, ~5249=3...(5) HB2 LYS 75 + QD1 ILE 68 OK 17 97 - 18 - 3.0/4765=2, ~4763=2...(7) HB3 ARG 27 + QD1 ILE 68 OK 16 100 - 16 - 4.3/5909=6, 4.1/5377=3...(5) HB2 ARG 27 + QD1 ILE 68 OK 16 100 - 16 - 4.3/5909=6, 4.1/5377=3...(5) HB3 ARG 23 + QD1 ILE 68 OK 12 99 - 12 - 3.0/4759=4, 3.0/5251=2 HB2 ARG 23 + QD1 ILE 68 OK 12 99 - 12 - 3.0/4759=4, 3.0/5251=2 HB2 ARG 26 - QD1 ILE 68 poor 7 68 - 10 - 4.6/5377=2, 1.8/2779=1 HB3 ARG 26 - QD1 ILE 68 poor 7 65 - 10 - 4.6/5377=2, 1.8/2779=1 HB2 ARG 17 - QD1 ILE 68 lone 2 93 - 2 - Peak 5975 from cnoeabs.peaks (2.86, 1.92, 28.80 ppm; 5.79 A): 3 out of 3 assignments used, quality = 0.64: HB3 ASP 67 + HG13 ILE 68 OK 46 81 - 57 - 287/4.5=26, 4745=10...(9) HB2 PHE 35 + HG13 ILE 68 OK 23 99 - 23 - 287/4.5=7, ~4564=4...(6) HB3 PHE 48 + HG13 ILE 68 OK 15 81 - 19 - ~4624=4, ~5136=3...(8) Peak 5976 from cnoeabs.peaks (2.56, 1.92, 28.80 ppm; 5.82 A): 2 out of 3 assignments used, quality = 0.84: HB2 ASP 24 + HG13 ILE 68 OK 82 100 - 82 - 4760/2.1=42, 5508/1.8=23...(10) HB3 ASP 46 + HG13 ILE 68 OK 12 98 - 12 - 4760/2.1=4, 4756/1.8=3 HB2 GLN 61 - HG13 ILE 68 poor 8 57 - 13 - 4760/2.1=3, ~5251=1...(5) Peak 5977 from cnoeabs.peaks (3.98, 2.03, 42.48 ppm; 5.58 A): 4 out of 24 assignments used, quality = 0.99: HA VAL 76 + HD2 ARG 69 OK 75 95 - 80 - 5047/3.9=10, 4766/3.9=9...(32) HA VAL 76 + HD3 ARG 69 OK 75 95 - 80 - 5047/3.9=10, 4766/3.9=9...(32) HA ARG 66 + HD2 ARG 69 OK 64 100 - 64 - 4733/3.9=13, 4733/3.0=12...(20) HA ARG 66 + HD3 ARG 69 OK 64 100 - 64 - 4733/3.9=13, 4733/3.0=12...(20) HA2 GLY 72 - HD3 ARG 69 OK 43 87 - 49 - 5844/3.9=11, 4766/3.9=7...(12) HA2 GLY 72 - HD2 ARG 69 OK 43 87 - 49 - 5844/3.9=11, 4766/3.9=7...(12) HA ARG 70 - HD3 ARG 69 OK 41 81 - 51 - ~5829=8, ~3944=7...(13) HA ARG 70 - HD2 ARG 69 OK 41 81 - 51 - ~5829=8, ~3944=7...(13) HA GLU 50 - HD2 ARG 69 OK 36 89 - 41 - 4502/3.9=5, ~4501=5...(19) HA GLU 50 - HD3 ARG 69 OK 36 89 - 41 - 4502/3.9=5, ~4501=5...(19) HA LYS 32 - HD2 ARG 69 OK 31 100 - 31 - 5047/3.9=4, 4766/3.9=4...(9) HA LYS 32 - HD3 ARG 69 OK 31 100 - 31 - 5047/3.9=4, 4766/3.9=4...(9) HA GLN 61 - HD2 ARG 69 OK 16 90 - 18 - 3.0/5765=2, ~5765=2...(9) HA GLN 61 - HD3 ARG 69 OK 16 90 - 18 - 3.0/5765=2, ~5765=2...(9) HA ALA 28 - HD2 ARG 69 OK 13 76 - 17 - 5379/6.3=2, 4766/3.9=2...(6) HA ALA 28 - HD3 ARG 69 OK 13 76 - 17 - 5379/6.3=2, 4766/3.9=2...(6) HA2 GLY 21 - HD2 ARG 69 poor 9 60 - 15 - ~34=1, 4766/3.9=1...(5) HA2 GLY 21 - HD3 ARG 69 poor 9 60 - 15 - ~34=1, 4766/3.9=1...(5) HA3 GLY 21 - HD3 ARG 69 poor 9 57 - 15 - ~34=1, 4766/3.9=1...(5) HA3 GLY 21 - HD2 ARG 69 poor 9 57 - 15 - ~34=1, 4766/3.9=1...(5) HA ARG 54 - HD2 ARG 69 lone 6 65 - 9 - 4.9/5699=2, 4604/4789=1 HA ARG 54 - HD3 ARG 69 lone 6 65 - 9 - 4.9/5699=2, 4604/4789=1 HB2 SER 22 - HD3 ARG 69 lone 4 57 - 7 - HB2 SER 22 - HD2 ARG 69 lone 4 57 - 7 - Peak 5978 from cnoeabs.peaks (6.96, 1.80, 29.46 ppm; 5.68 A): 4 out of 4 assignments used, quality = 0.93: HZ PHE 48 + HB2 ARG 69 OK 83 97 - 86 - 2.2/5979=39, ~4784=26...(17) HZ PHE 35 + HB2 ARG 69 OK 33 95 - 35 - 4652/3.0=5, 4790/3.9=4...(13) QE PHE 35 + HB2 ARG 69 OK 33 93 - 35 - ~4652=4, 4790/3.9=3...(14) HD22 ASN 42 + HB2 ARG 69 OK 10 81 - 13 - 4366/4303=2, 4367/4346=1...(4) Peak 5979 from cnoeabs.peaks (7.13, 1.80, 29.46 ppm; 5.76 A): 1 out of 1 assignment used, quality = 0.64: QE PHE 48 + HB2 ARG 69 OK 64 76 - 84 - 4784/3.0=34, 2.2/5978=21...(20) Peak 5980 from cnoeabs.peaks (7.11, 1.39, 29.46 ppm; 6.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 5981 from cnoeabs.peaks (7.15, 1.24, 27.02 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.94: QE PHE 48 + HG2 ARG 69 OK 92 100 - 92 - 4784/1.8=41, 4789/3.0=22...(20) QE PHE 48 + HG13 ILE 33 OK 27 63 - 43 - ~4596=9, ~4212=7...(13) Peak 5982 from cnoeabs.peaks (6.94, 1.24, 27.02 ppm; 5.78 A): 3 out of 8 assignments used, quality = 0.98: HZ PHE 48 + HG2 ARG 69 OK 90 99 - 91 - ~4784=33, 2.2/5981=30...(15) QE PHE 35 + HG13 ILE 33 OK 61 63 - 98 - 4583/3.2=48, ~4567=35...(22) HZ PHE 35 + HG13 ILE 33 OK 54 62 - 86 - ~4583=35, 4596/3.2=29...(14) HZ PHE 35 - HG2 ARG 69 OK 40 100 - 40 - 5978/3.0=6, 4652/1.8=6...(10) QE PHE 35 - HG2 ARG 69 OK 39 100 - 39 - 5978/3.0=6, ~5978=5...(13) HZ PHE 48 - HG13 ILE 33 OK 25 61 - 40 - 4596/3.2=13, 2.2/5981=9...(6) HD22 ASN 42 - HG2 ARG 69 OK 15 100 - 15 - 4367/4903=3, 5978/3.0=2...(5) HD22 ASN 42 - HG13 ILE 33 poor 8 62 - 12 - 4212/2.1=3, 4207/3.2=2 Peak 5983 from cnoeabs.peaks (1.39, 4.00, 58.60 ppm; 4.63 A): 6 out of 13 assignments used, quality = 0.95: HB3 ARG 69 + HA ARG 70 OK 54 99 - 55 - 298/2.9=12, ~3941=10...(14) HG3 ARG 69 + HA ARG 70 OK 50 96 - 52 - 3944/2.9=8, ~3941=8...(15) HG3 LYS 73 + HA ARG 70 OK 38 100 - 38 - 4.9/5987=11, 2.9/5061=8...(11) HG2 LYS 75 + HA ARG 70 OK 32 100 - 32 - 2.7/5061=5, 2.7/5984=5...(10) HG3 LYS 75 + HA ARG 70 OK 32 100 - 32 - 2.7/5061=5, 2.7/5984=5...(10) HG2 LYS 85 + HA ARG 70 OK 18 97 - 18 - 4.8/5391=3, 2.9/5061=3...(6) HG3 LYS 39 - HA ARG 70 lone 8 90 - 9 - 298/2.9=2, 2.9/5984=1 QB ALA 53 - HA ARG 70 lone 6 100 - 6 - 3.6/675=2 HG2 LYS 83 - HA ARG 70 lone 6 83 - 7 - 2.9/2844=1 QB ALA 20 - HA ARG 70 lone 5 97 - 5 - ~5826=2 QB ALA 77 - HA ARG 70 lone 4 95 - 5 - ~5433=2 QB ALA 78 - HA ARG 70 lone 2 100 - 2 - QB ALA 16 - HA ARG 70 lone 1 60 - 2 - Peak 5984 from cnoeabs.peaks (1.79, 4.00, 58.60 ppm; 4.06 A): 8 out of 15 assignments used, quality = 0.91: HB2 ARG 69 + HA ARG 70 OK 44 99 - 44 - 3941/2.9=12, ~298=7...(10) HB3 LYS 73 + HA ARG 70 OK 30 87 - 34 - 4.0/5987=11, 1.8/5061=7...(10) HB3 LYS 75 + HA ARG 70 OK 28 99 - 29 - 1.8/5061=5, 297/2.9=4...(10) HB2 LYS 32 + HA ARG 70 OK 23 78 - 29 - 4.0/2840=3, 3.5/2845=2...(14) HB3 LYS 32 + HA ARG 70 OK 23 78 - 29 - 4.0/2840=3, 3.5/2845=2...(14) HB2 LYS 73 + HA ARG 70 OK 21 65 - 33 - 4.0/5987=11, 5061=5...(10) HB2 LYS 85 + HA ARG 70 OK 18 99 - 18 - 4.0/5391=3, 297/2.9=2...(6) HB3 ARG 84 + HA ARG 70 OK 16 99 - 16 - 4.6/5391=3, 1.8/2844=2...(6) HB3 LYS 39 - HA ARG 70 lone 6 95 - 7 - 297/2.9=1 HB2 LYS 83 - HA ARG 70 lone 6 93 - 6 - 1.8/2844=1 HB2 LYS 13 - HA ARG 70 lone 5 99 - 5 - 297/2.9=1 HB2 LEU 57 - HA ARG 70 lone 5 60 - 8 - ~2446=1, 2439/3.0=1, 2439/3.0=1 HB ILE 33 - HA ARG 70 lone 3 65 - 4 - HB ILE 89 - HA ARG 70 lone 2 63 - 4 - ~5831=1 HB2 PRO 34 - HA ARG 70 lone 2 90 - 2 - Peak 5985 from cnoeabs.peaks (3.51, 1.75, 28.82 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.68: HA ILE 68 + HG3 ARG 71 OK 68 100 - 68 - 15389/5.0=33...(7) Peak 5990 from cnoeabs.peaks (0.91, 2.78, 38.52 ppm; 5.94 A): 7 out of 33 assignments used, quality = 0.63: QG1 VAL 76 + HB3 ASN 74 OK 16 92 - 17 - 3.9/5855=10, 5850/4.6=3 QG2 VAL 76 + HB3 ASN 74 OK 16 92 - 17 - 3.9/5855=10, 5850/4.6=3 QG2 ILE 40 + HB3 ASN 74 OK 14 73 - 19 - 6022/3.5=7, 3816/3.5=4...(4) QG2 VAL 41 + HB3 ASN 74 OK 12 60 - 20 - 6022/3.5=4, 2.1/4351=4...(5) HG LEU 51 + HB3 ASN 80 OK 11 59 - 19 - 6020/3.5=11, 6022/3.5=6 QG1 VAL 76 + HB2 ASN 74 OK 11 48 - 23 - 3.9/5855=16, 5850/4.6=3 QG2 VAL 76 + HB2 ASN 74 OK 11 48 - 23 - 3.9/5855=16, 5850/4.6=3 QG1 VAL 90 - HB3 ASN 74 lone 9 99 - 9 - 3.2/6009=2, ~6010=1, 6022/3.5=1 QG2 VAL 90 - HB3 ASN 74 lone 9 99 - 9 - 3.2/6009=2, ~6010=1, 6022/3.5=1 QD2 LEU 62 - HB3 ASN 74 poor 8 73 - 11 - 5962/4.0=4, 6022/3.5=1 HG12 ILE 68 - HB3 ASN 74 lone 7 92 - 8 - 5850/4.6=3, 6022/3.5=1 QG1 VAL 76 - HB3 ASN 80 poor 7 58 - 13 - 6020/3.5=4, 6022/3.5=2...(4) HG LEU 51 - HB3 ASN 74 lone 7 93 - 8 - 5140/2375=2 QG2 VAL 76 - HB3 ASN 80 poor 7 58 - 12 - 6020/3.5=4, 6022/3.5=2...(4) QG2 ILE 40 - HB2 ASN 74 poor 6 35 - 17 - 6022/3.5=7, 3816/3.5=4 QG1 VAL 90 - HB3 ASN 80 lone 6 67 - 9 - 6020/3.5=2, 6022/3.5=1 QG2 VAL 90 - HB3 ASN 80 lone 6 66 - 9 - 6020/3.5=2, 6022/3.5=1 QG2 ILE 40 - HB3 ASN 80 poor 5 43 - 13 - 6020/3.5=5, 6022/3.5=3 QG2 VAL 41 - HB2 ASN 74 poor 5 28 - 17 - 6022/3.5=4, ~4351=3...(4) QG2 VAL 41 - HB3 ASN 80 poor 5 34 - 13 - 6020/3.5=4, 6022/3.5=2...(4) QG1 VAL 90 - HB2 ASN 74 lone 4 56 - 8 - ~6009=2, 6022/3.5=1, 3.2/6009=1 QG2 VAL 90 - HB2 ASN 74 lone 4 55 - 8 - ~6009=2, 3.2/6009=1, 6022/3.5=1 HG LEU 51 - HB2 ASN 74 lone 4 49 - 8 - 5140/2375=2, 5223/5722=1 QD2 LEU 62 - HB2 ASN 74 poor 4 35 - 11 - 5962/4.0=4, 6022/3.5=1...(4) QD1 LEU 86 - HB3 ASN 74 lone 4 87 - 4 - QD2 LEU 62 - HB3 ASN 80 lone 4 43 - 8 - 6020/3.5=4, 6022/3.5=2 HG12 ILE 68 - HB3 ASN 80 lone 4 58 - 6 - 6020/3.5=2, 6022/3.5=1 HG12 ILE 68 - HB2 ASN 74 lone 4 48 - 7 - 5850/4.6=3, 6022/3.5=1 QD1 LEU 29 - HB3 ASN 74 lone 3 68 - 4 - QD1 LEU 86 - HB3 ASN 80 lone 2 53 - 3 - QD1 LEU 86 - HB2 ASN 74 lone 2 44 - 4 - QD1 LEU 29 - HB2 ASN 74 lone 1 32 - 4 - QD1 LEU 29 - HB3 ASN 80 lone 1 39 - 3 - Peak 5991 from cnoeabs.peaks (8.27, 2.76, 38.61 ppm; 5.58 A): 2 out of 10 assignments used, quality = 0.92: H ASN 80 + HB3 ASN 80 OK 90 90 - 100 - 3.8=100 H ASN 80 + HB3 ASN 74 OK 21 56 - 38 - 5422/3.0=9, 5419=8...(10) H LEU 86 - HB3 ASN 80 lone 7 100 - 7 - 3.6/5875=2, 4.7/5879=1 H VAL 90 - HB3 ASN 74 lone 4 69 - 6 - ~6010=1 H LEU 86 - HB3 ASN 74 lone 4 68 - 5 - 3.6/5875=1 H VAL 90 - HB3 ASN 80 lone 3 100 - 3 - H LYS 13 - HB3 ASN 80 lone 3 99 - 3 - H ALA 12 - HB3 ASN 80 lone 2 63 - 3 - H LYS 13 - HB3 ASN 74 lone 2 67 - 2 - H ALA 12 - HB3 ASN 74 lone 1 36 - 2 - Peak 5993 from cnoeabs.peaks (8.23, 1.72, 32.59 ppm; 5.11 A): 4 out of 16 assignments used, quality = 0.77: H ARG 84 + HB3 LYS 83 OK 60 60 - 100 - 4.3=100 H ARG 84 + HB3 LYS 85 OK 26 59 - 45 - 4.6/378=10, 3.0/6062=7...(18) H ALA 77 + HB3 LYS 85 OK 13 100 - 13 - 817/3.0=2, 818/2.9=1 H ALA 77 + HB3 LYS 83 OK 11 100 - 11 - 6039/6055=2, 817/3.0=1 H GLN 79 - HB3 LYS 85 lone 8 94 - 8 - 358/2.9=1 H GLN 79 - HB3 LYS 83 lone 8 96 - 8 - 3.0/6062=1 H ALA 28 - HB3 LYS 85 lone 5 91 - 6 - 4.6/546=2 H ALA 28 - HB3 LYS 83 lone 5 92 - 6 - 4.6/546=2 H THR 15 - HB3 LYS 83 lone 5 73 - 7 - 477/3.0=2, 4.0/6062=1 H ALA 12 - HB3 LYS 85 lone 4 95 - 4 - H THR 15 - HB3 LYS 85 lone 4 72 - 6 - H ALA 12 - HB3 LYS 83 lone 4 97 - 4 - H GLU 25 - HB3 LYS 83 lone 3 65 - 5 - H GLU 25 - HB3 LYS 85 lone 3 64 - 4 - H SER 22 - HB3 LYS 83 lone 2 89 - 3 - H SER 22 - HB3 LYS 85 lone 2 87 - 2 - Peak 5994 from cnoeabs.peaks (4.16, 3.15, 43.10 ppm; 4.16 A): 3 out of 108 assignments used, quality = 0.97: HA ARG 82 + HD2 ARG 82 OK 69 92 - 76 - 4.9=61, 5885/3.0=17...(9) HA ARG 84 + HD3 ARG 84 OK 68 83 - 83 - 5.1=54, 3.0/3410=8...(31) HA ARG 84 + HD2 ARG 84 OK 68 83 - 83 - 5.1=54, 3.0/3410=8...(31) HA ARG 82 - HD3 ARG 23 OK 16 83 - 19 - 3.0/5889=3, 5885/2.9=2...(8) HA ARG 82 - HD2 ARG 23 OK 16 83 - 19 - 3.0/5889=3, 5885/2.9=2...(8) HA ARG 84 - HD3 ARG 17 OK 15 76 - 19 - 5888=1, 3.0/3390=1, 5888/1.8=1 HA ARG 84 - HD2 ARG 17 OK 15 76 - 19 - 5888=1, 3.0/3390=1, 5888/1.8=1 HA LYS 73 - HD3 ARG 84 OK 14 96 - 15 - 3376/3.5=2, 3384/3.5=2, 5888=1 HA LYS 73 - HD2 ARG 84 OK 14 96 - 15 - 3376/3.5=2, 3384/3.5=2, 5888=1 HA LEU 29 - HD3 ARG 84 OK 13 100 - 13 - 1478/3.5=2, 1479/2.9=1...(4) HA LEU 29 - HD2 ARG 84 OK 13 100 - 13 - 1478/3.5=2, 1479/2.9=1...(4) HA ILE 89 - HD3 ARG 84 lone 10 100 - 10 - 3599/3.5=3, 3376/3.5=1 HA ILE 89 - HD2 ARG 84 lone 10 100 - 10 - 3599/3.5=3, 3376/3.5=1 HA LYS 73 - HD2 ARG 71 poor 9 92 - 10 - 4008/5.8=1 HA ARG 82 - HD2 ARG 84 lone 9 95 - 9 - 3.0/5889=1, 5888=1 HA ARG 82 - HD3 ARG 84 lone 9 96 - 9 - 3.0/5889=1, 5888=1 HA ARG 84 - HD2 ARG 71 poor 8 78 - 11 - HA LYS 73 - HD2 ARG 82 lone 7 93 - 8 - 3235/3.6=2, 5481/3.0=1 HA LEU 29 - HD2 ARG 82 lone 6 98 - 6 - 3235/3.6=2, 5481/3.0=1 HA ARG 84 - HD2 ARG 82 lone 6 79 - 8 - 3235/3.6=2, 5885/3.0=1 HA ILE 89 - HD2 ARG 27 lone 5 81 - 7 - 3597/6.3=2, 3599/3.5=1 HA ILE 89 - HD3 ARG 27 lone 5 81 - 7 - 3597/6.3=2, 3599/3.5=1 HA ARG 84 - HD2 ARG 26 lone 5 52 - 10 - HA ARG 84 - HD3 ARG 26 lone 5 50 - 10 - HA ARG 84 - HD3 ARG 23 lone 5 69 - 6 - HA ARG 84 - HD2 ARG 23 lone 5 69 - 6 - HA ARG 82 - HD2 ARG 71 lone 4 92 - 5 - 3.0/5889=1 HA LYS 73 - HD3 ARG 17 lone 4 90 - 5 - HA LYS 73 - HD2 ARG 17 lone 4 90 - 5 - HA ARG 84 - HD3 ARG 27 lone 4 62 - 7 - HA ARG 84 - HD2 ARG 27 lone 4 62 - 7 - HA ARG 82 - HD2 ARG 17 lone 4 90 - 5 - HA ARG 82 - HD3 ARG 17 lone 4 90 - 5 - HA LEU 29 - HD2 ARG 71 lone 4 98 - 4 - HA LEU 29 - HD3 ARG 23 lone 4 90 - 5 - HA LEU 29 - HD2 ARG 23 lone 4 90 - 5 - HA ILE 89 - HD2 ARG 17 lone 4 96 - 4 - HA ILE 89 - HD3 ARG 17 lone 4 96 - 4 - HA ILE 89 - HD3 ARG 23 lone 4 89 - 4 - HA ILE 89 - HD2 ARG 23 lone 4 89 - 4 - HB THR 15 - HD3 ARG 84 lone 3 100 - 3 - 1132/6.2=1 HB THR 15 - HD2 ARG 84 lone 3 100 - 3 - 1132/6.2=1 HA LEU 29 - HD2 ARG 26 lone 3 70 - 5 - HA LYS 73 - HD3 ARG 23 lone 3 83 - 3 - HA LYS 73 - HD2 ARG 23 lone 3 83 - 3 - HA ILE 89 - HD2 ARG 82 lone 3 97 - 3 - HA LEU 29 - HD3 ARG 26 lone 3 67 - 4 - HA ALA 30 - HD2 ARG 26 lone 3 35 - 9 - ~4194=3, ~5537=2, ~4843=1 HA ALA 30 - HD3 ARG 26 lone 3 34 - 9 - ~4194=3, ~5537=2, ~4843=1 HB THR 15 - HD2 ARG 82 lone 3 98 - 3 - HA ALA 53 - HD2 ARG 84 lone 2 100 - 2 - HA ALA 53 - HD3 ARG 84 lone 2 100 - 2 - HA LEU 29 - HD2 ARG 17 lone 2 96 - 2 - HA LEU 29 - HD3 ARG 17 lone 2 96 - 2 - HA ALA 53 - HD2 ARG 82 lone 2 98 - 2 - HA LYS 73 - HD2 ARG 26 lone 2 64 - 3 - HA LYS 73 - HD3 ARG 26 lone 2 61 - 3 - HA ILE 89 - HD2 ARG 26 lone 2 70 - 3 - HA ASN 49 - HD2 ARG 84 lone 2 68 - 3 - 3.0/177=1 HA ILE 89 - HD3 ARG 26 lone 2 67 - 3 - HA ASN 49 - HD3 ARG 84 lone 2 68 - 3 - ~177=1 HA ALA 30 - HD2 ARG 71 lone 2 56 - 4 - ~4843=1 HA ARG 82 - HD3 ARG 27 lone 2 75 - 3 - HA ARG 82 - HD2 ARG 27 lone 2 75 - 3 - HA LEU 29 - HD3 ARG 27 lone 2 82 - 2 - HA LEU 29 - HD2 ARG 27 lone 2 82 - 2 - HA ILE 89 - HD2 ARG 71 lone 2 97 - 2 - HA LYS 73 - HD3 ARG 27 lone 2 76 - 2 - HA LYS 73 - HD2 ARG 27 lone 2 76 - 2 - HA ALA 30 - HD2 ARG 23 lone 2 49 - 4 - 4842/2.9=1 HA ALA 30 - HD3 ARG 23 lone 2 49 - 4 - 4842/2.9=1 HA ARG 82 - HD2 ARG 26 lone 2 63 - 3 - HA ARG 82 - HD3 ARG 26 lone 2 61 - 3 - HB THR 15 - HD3 ARG 17 lone 1 96 - 2 - HB THR 15 - HD2 ARG 17 lone 1 96 - 2 - HA ASN 49 - HD2 ARG 71 lone 1 64 - 2 - 3.0/177=1 HB THR 15 - HD3 ARG 23 lone 1 90 - 2 - HB THR 15 - HD2 ARG 23 lone 1 90 - 2 - HA ALA 53 - HD2 ARG 71 lone 1 98 - 1 - HA ALA 30 - HD3 ARG 84 lone 1 60 - 2 - HA ALA 30 - HD2 ARG 84 lone 1 60 - 2 - HA ALA 53 - HD2 ARG 17 lone 1 97 - 1 - HA ALA 53 - HD3 ARG 17 lone 1 97 - 1 - HB THR 15 - HD2 ARG 71 lone 1 98 - 1 - HB THR 15 - HD2 ARG 27 lone 1 82 - 1 - HB THR 15 - HD3 ARG 27 lone 1 82 - 1 - HA ALA 53 - HD3 ARG 23 lone 1 90 - 1 - HA ALA 53 - HD2 ARG 23 lone 1 90 - 1 - HA ASN 49 - HD2 ARG 82 lone 1 64 - 2 - HB THR 15 - HD2 ARG 26 lone 1 70 - 1 - HA ALA 53 - HD3 ARG 27 lone 1 83 - 1 - HA ALA 53 - HD2 ARG 27 lone 1 83 - 1 - HB THR 15 - HD3 ARG 26 lone 1 68 - 1 - HA ALA 53 - HD2 ARG 26 lone 1 71 - 1 - HA ALA 30 - HD2 ARG 82 lone 1 56 - 1 - HA ASN 49 - HD3 ARG 23 lone 1 56 - 1 - HA ASN 49 - HD2 ARG 23 lone 1 56 - 1 - HA ALA 53 - HD3 ARG 26 lone 1 68 - 1 - HA ALA 30 - HD3 ARG 27 lone 1 43 - 1 - HA ALA 30 - HD2 ARG 27 lone 1 43 - 1 - HA ASN 49 - HD3 ARG 17 lone 1 62 - 1 - HA ASN 49 - HD2 ARG 17 lone 1 62 - 1 - HA ALA 30 - HD3 ARG 17 lone 1 54 - 1 - HA ALA 30 - HD2 ARG 17 lone 1 54 - 1 - HA ASN 49 - HD3 ARG 27 lone 0 50 - 1 - HA ASN 49 - HD2 ARG 27 lone 0 50 - 1 - HA ASN 49 - HD2 ARG 26 lone 0 41 - 1 - HA ASN 49 - HD3 ARG 26 lone 0 39 - 1 - Peak 5995 from cnoeabs.peaks (8.26, 1.72, 32.58 ppm; 4.78 A): 1 out of 10 assignments used, quality = 1.00: H LEU 86 + HB3 LYS 85 OK 100 100 - 100 - 4.6=100 H LYS 13 - HB3 LYS 85 OK 26 98 - 27 - 468/1.8=4, 471/2.9=4...(10) H LEU 86 - HB3 LYS 83 OK 26 100 - 26 - 4.7/3443=4, 387=4...(9) H ASN 80 - HB3 LYS 83 OK 19 83 - 23 - 3.0/6055=10, 6154/3.0=7...(6) H ASN 80 - HB3 LYS 85 OK 12 85 - 14 - 3.0/6055=5, 6154/3.0=4 H VAL 90 - HB3 LYS 85 OK 11 100 - 11 - 3.6/6062=4, 5277/1.8=3 H LYS 13 - HB3 LYS 83 lone 9 97 - 9 - 468/1.8=2, 8/3.0=2 H VAL 90 - HB3 LYS 83 lone 4 100 - 4 - 3.6/6062=1 H ALA 12 - HB3 LYS 85 lone 3 71 - 4 - H ALA 12 - HB3 LYS 83 lone 2 69 - 3 - Peak 5996 from cnoeabs.peaks (4.31, 2.21, 36.01 ppm; 4.48 A): 4 out of 40 assignments used, quality = 1.00: HA GLU 87 + HG2 GLU 87 OK 97 97 - 100 - 4.0=100 HA GLU 87 + HG3 GLU 87 OK 97 97 - 100 - 4.0=100 HA GLU 87 + HG2 GLU 19 OK 59 85 - 69 - 3557/3.0=9, 3559=9...(40) HA GLU 87 + HG3 GLU 19 OK 59 85 - 69 - 3557/3.0=9, 3559=9...(40) HA LEU 86 - HG3 GLU 87 OK 18 100 - 18 - 395/4.8=11, 3562/3.0=3 HA LEU 86 - HG2 GLU 87 OK 18 100 - 18 - 395/4.8=11, 3562/3.0=3 HA GLU 87 - HG3 GLU 50 OK 15 95 - 16 - 3557/3.0=2, 3557/3.0=2...(6) HA THR 88 - HG2 GLU 19 OK 14 56 - 25 - 3.0/5921=4, ~5921=4...(9) HA THR 88 - HG3 GLU 19 OK 14 56 - 25 - 3.0/5921=4, ~5921=4...(9) HA THR 88 - HG2 GLU 87 OK 12 68 - 17 - ~4032=5, 3.0/5921=4...(5) HA THR 88 - HG3 GLU 87 OK 12 68 - 17 - ~4032=5, 3.0/5921=5...(5) HA LEU 86 - HG2 GLU 19 lone 8 90 - 9 - 3.6/870=5, 3562/3.0=1 HA LEU 86 - HG3 GLU 19 lone 8 90 - 9 - 3.6/870=5, 3562/3.0=1 HA PRO 34 - HG2 GLU 87 lone 4 97 - 4 - HA PRO 34 - HG3 GLU 87 lone 4 97 - 4 - HA ALA 16 - HG3 GLU 87 lone 4 100 - 3 - HA ALA 16 - HG2 GLU 87 lone 4 100 - 3 - HA ALA 16 - HG3 GLU 19 lone 3 90 - 4 - HA ALA 16 - HG2 GLU 19 lone 3 90 - 4 - HA LEU 86 - HG3 GLU 50 lone 2 98 - 2 - 3.6/870=1 HA THR 88 - HG3 GLU 50 lone 2 65 - 3 - HA ALA 16 - HG3 GLU 50 lone 2 98 - 2 - HA PRO 34 - HG3 GLU 19 lone 2 85 - 2 - HA PRO 34 - HG2 GLU 19 lone 2 85 - 2 - HA ASP 38 - HG2 GLU 87 lone 1 65 - 2 - HA ASP 38 - HG3 GLU 87 lone 1 65 - 2 - HA ASP 38 - HG3 GLU 19 lone 1 53 - 3 - HA ASP 38 - HG2 GLU 19 lone 1 53 - 3 - HA ARG 17 - HG3 GLU 87 lone 1 63 - 2 - HA ARG 17 - HG2 GLU 87 lone 1 63 - 2 - HA ARG 17 - HG2 GLU 19 lone 1 51 - 3 - HA ARG 17 - HG3 GLU 19 lone 1 51 - 3 - HA PRO 34 - HG3 GLU 50 lone 1 95 - 1 - HA SER 60 - HG2 GLU 87 lone 1 63 - 1 - HA SER 60 - HG3 GLU 87 lone 1 63 - 1 - HA ARG 17 - HG3 GLU 50 lone 1 60 - 1 - HA ASP 38 - HG3 GLU 50 lone 1 62 - 1 - HA SER 60 - HG2 GLU 19 lone 1 51 - 1 - HA SER 60 - HG3 GLU 19 lone 1 51 - 1 - HA SER 60 - HG3 GLU 50 lone 1 60 - 1 - Peak 5997 from cnoeabs.peaks (8.13, 4.28, 61.88 ppm; 5.02 A): 1 out of 7 assignments used, quality = 1.00: H THR 88 + HA THR 88 OK 100 100 - 100 - 3.0=100 H ARG 26 - HA THR 88 OK 12 100 - 12 - 3589/3.0=4, 58/5517=1 H ARG 71 - HA THR 88 lone 3 71 - 4 - H ALA 78 - HA THR 88 lone 2 89 - 3 - H LYS 85 - HA THR 88 lone 2 68 - 3 - H ASN 74 - HA THR 88 lone 2 81 - 3 - H LEU 57 - HA THR 88 lone 2 83 - 2 - Peak 5998 from cnoeabs.peaks (8.16, 0.84, 17.06 ppm; 5.48 A): 2 out of 7 assignments used, quality = 0.94: H ILE 89 + QG2 ILE 89 OK 90 90 - 100 - 4.0=100 H ARG 27 + QG2 ILE 89 OK 43 81 - 53 - 5521=14, 5519/3.2=8...(16) H ASN 74 - QG2 ILE 89 OK 33 100 - 34 - 3.6/3612=9, 4.3/3613=8...(7) H THR 88 - QG2 ILE 89 OK 24 68 - 35 - 4.0/3615=11, ~5904=8...(5) H ARG 26 - QG2 ILE 89 OK 18 68 - 26 - 4.6/5521=10, 3.6/4163=2...(6) H LEU 57 - QG2 ILE 89 OK 12 99 - 12 - 693/6122=2, 3618/3.2=1 H ALA 78 - QG2 ILE 89 lone 5 98 - 5 - Peak 5999 from cnoeabs.peaks (6.79, 3.03, 38.06 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 81 + HB2 TYR 81 OK 100 100 - 100 - 4.4=100 QE TYR 55 - HB2 TYR 81 OK 10 65 - 15 - 6000/2.5=6, 4970/2322=1...(6) Peak 6000 from cnoeabs.peaks (6.79, 7.08, 133.08 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.98: * QE TYR 81 + QD TYR 81 OK 98 98 - 100 - 2.2=100 QE TYR 55 - QD TYR 81 OK 16 61 - 27 - ~2377=3, 6002=3, ~5711=3...(11) Peak 6001 from cnoeabs.peaks (7.08, 7.08, 133.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QD TYR 81 + QD TYR 81 OK 98 98 - 100 Peak 6002 from cnoeabs.peaks (7.08, 6.79, 117.91 ppm; 2.93 A): 1 out of 4 assignments used, quality = 0.99: * QD TYR 81 + QE TYR 81 OK 99 99 - 100 - 2.2=100 QD PHE 48 - QE TYR 81 OK 15 95 - 15 - ~2148=3, 5463/4.4=3...(5) QD TYR 81 - QE TYR 55 poor 7 65 - 11 - 6000=2, ~2377=1, ~5711=1 QD PHE 48 - QE TYR 55 lone 3 60 - 4 - 4625/4648=2, 5686/4533=1 Peak 6003 from cnoeabs.peaks (6.79, 6.79, 117.91 ppm; diagonal): 1 out of 2 assignments used, quality = 0.99: * QE TYR 81 + QE TYR 81 OK 99 99 - 100 QE TYR 55 - QE TYR 55 OK 35 35 - 100 Peak 6005 from cnoeabs.peaks (4.46, 7.08, 133.08 ppm; 6.50 A): 1 out of 6 assignments used, quality = 0.98: HA TYR 81 + QD TYR 81 OK 98 98 - 100 - 3.7=100 HA SER 22 - QD TYR 81 OK 39 94 - 42 - 5452/2.5=11, 5451/2.5=10...(7) HA PRO 14 - QD TYR 81 OK 16 98 - 16 - 5452/2.5=4, 5451/2.5=4...(4) HA ASP 67 - QD TYR 81 lone 8 80 - 10 - 5450/4.5=1, 5452/2.5=1...(4) HA ASP 24 - QD TYR 81 lone 4 56 - 7 - HA THR 58 - QD TYR 81 lone 3 66 - 5 - Peak 6006 from cnoeabs.peaks (3.03, 7.08, 133.08 ppm; 5.40 A): 3 out of 3 assignments used, quality = 1.00: HB2 TYR 81 + QD TYR 81 OK 98 98 - 100 - 2.5=100 HD3 ARG 54 + QD TYR 81 OK 74 98 - 76 - 3.6/4684=20, 3.6/4683=11...(25) HD2 ARG 54 + QD TYR 81 OK 74 98 - 76 - 3.6/4684=20, 3.6/4683=11...(25) Peak 6007 from cnoeabs.peaks (2.98, 7.08, 133.08 ppm; 5.72 A): 1 out of 11 assignments used, quality = 0.98: HB3 TYR 81 + QD TYR 81 OK 98 98 - 100 - 2.5=100 HE3 LYS 39 - QD TYR 81 OK 20 98 - 21 - 3.6/4684=6, 4.7/4683=2...(8) HE2 LYS 39 - QD TYR 81 OK 20 98 - 20 - 3.6/4684=6, 4.7/4683=2...(8) HE2 LYS 75 - QD TYR 81 OK 14 86 - 16 - 3.5/4685=3, 3.5/4685=3...(5) HE3 LYS 75 - QD TYR 81 OK 14 84 - 16 - 3.5/4685=3, 3.5/4685=3...(5) HE2 LYS 73 - QD TYR 81 OK 11 69 - 16 - 3.7/4685=4, 4.7/4683=3...(4) HE3 LYS 73 - QD TYR 81 OK 10 66 - 16 - 3.7/4685=4, 4.7/4683=3...(4) HE2 LYS 13 - QD TYR 81 lone 6 94 - 6 - HE3 LYS 13 - QD TYR 81 lone 6 93 - 6 - HE3 LYS 32 - QD TYR 81 lone 6 71 - 8 - 4.6/4683=1, 4.6/4683=1 HE2 LYS 32 - QD TYR 81 lone 5 69 - 8 - 4.6/4683=1, 4.6/4683=1 Peak 6008 from cnoeabs.peaks (4.19, 6.79, 117.91 ppm; 5.34 A): 5 out of 18 assignments used, quality = 0.90: HA ALA 78 + QE TYR 81 OK 61 86 - 71 - 15862/4.4=29...(7) HA GLN 79 + QE TYR 81 OK 41 97 - 43 - 5868/2.2=21, 5.0/4686=8...(6) HA ARG 82 + QE TYR 81 OK 41 92 - 44 - 5868/2.2=17, ~4673=15...(7) HA LYS 73 + QE TYR 81 OK 18 95 - 19 - 4675/2.2=5, ~4683=2...(7) HA ARG 84 + QE TYR 81 OK 14 98 - 14 - 4675/2.2=3, 5458/4.4=3...(4) HA ARG 82 - QE TYR 55 lone 5 57 - 8 - ~4247=1 HA LYS 73 - QE TYR 55 lone 4 59 - 7 - HA ALA 53 - QE TYR 55 poor 4 37 - 11 - 4560/6.3=8, 2.1/6141=1 HA ARG 84 - QE TYR 55 lone 3 63 - 5 - HA ALA 53 - QE TYR 81 lone 3 66 - 5 - 2.1/4686=1 HA ALA 78 - QE TYR 55 lone 3 51 - 5 - 6048/6000=1, 15862/5999=1 HA GLN 79 - QE TYR 55 lone 3 61 - 4 - 5868/6000=1 HA ILE 89 - QE TYR 81 lone 2 80 - 3 - HA LEU 29 - QE TYR 81 lone 2 58 - 4 - HA LEU 29 - QE TYR 55 lone 2 32 - 7 - 4582/6.3=2, 4.0/4646=1 HB THR 15 - QE TYR 81 lone 2 76 - 2 - HA ILE 89 - QE TYR 55 lone 1 47 - 3 - HB THR 15 - QE TYR 55 lone 1 43 - 2 - Peak 6009 from cnoeabs.peaks (4.08, 2.78, 38.52 ppm; 4.97 A): 5 out of 15 assignments used, quality = 0.78: * HA ARG 71 + HB3 ASN 74 OK 38 100 - 39 - 6078/3.5=11, 5836=10...(9) HA ARG 26 + HB3 ASN 74 OK 32 99 - 32 - 6078/3.5=8, 5836=8...(8) HA ARG 71 + HB2 ASN 74 OK 21 57 - 37 - 6078/3.5=11, 5836/1.8=10...(9) HA GLU 25 + HB3 ASN 74 OK 18 95 - 18 - 6078/3.5=6, 5836=4...(4) HA ARG 26 + HB2 ASN 74 OK 17 55 - 31 - 6078/3.5=8, 5836/1.8=8...(8) HA GLU 25 - HB2 ASN 74 poor 9 50 - 18 - 6078/3.5=6, 5836/1.8=4...(4) HA VAL 90 - HB3 ASN 74 lone 8 100 - 8 - 6078/3.5=3, 3.2/5990=1 HA VAL 90 - HB2 ASN 74 lone 4 57 - 7 - 6078/3.5=3 HA ALA 63 - HB3 ASN 74 lone 4 93 - 4 - 6078/3.5=2 HA VAL 90 - HB3 ASN 80 lone 4 69 - 5 - 3639/3.8=1 HA ARG 71 - HB3 ASN 80 lone 2 69 - 3 - HA ALA 63 - HB2 ASN 74 lone 2 49 - 4 - 6078/3.5=2 HA ARG 26 - HB3 ASN 80 lone 2 66 - 2 - HA GLU 25 - HB3 ASN 80 lone 1 60 - 2 - HA ALA 63 - HB3 ASN 80 lone 1 59 - 2 - Peak 6010 from cnoeabs.peaks (4.08, 2.81, 38.52 ppm; 4.87 A): 5 out of 10 assignments used, quality = 0.77: * HA ARG 71 + HB2 ASN 74 OK 38 100 - 38 - 6078/3.5=10, 5836/1.8=10...(9) HA ARG 26 + HB2 ASN 74 OK 32 99 - 32 - 6078/3.5=8, 5836/1.8=8...(8) HA ARG 71 + HB3 ASN 74 OK 21 57 - 37 - 6078/3.5=10, 5836=10...(9) HA GLU 25 + HB2 ASN 74 OK 17 95 - 18 - 6078/3.5=5, 5836/1.8=4...(4) HA ARG 26 + HB3 ASN 74 OK 17 55 - 31 - 6078/3.5=8, 5836=8...(8) HA GLU 25 - HB3 ASN 74 poor 9 50 - 17 - 6078/3.5=5, 5836=4...(4) HA VAL 90 - HB2 ASN 74 lone 6 100 - 6 - 6078/3.5=3 HA ALA 63 - HB2 ASN 74 lone 4 93 - 4 - 6078/3.5=2 HA VAL 90 - HB3 ASN 74 lone 3 57 - 6 - 6078/3.5=3 HA ALA 63 - HB3 ASN 74 lone 2 49 - 4 - 6078/3.5=2 Peak 6011 from cnoeabs.peaks (3.97, 1.97, 28.98 ppm; 4.82 A): 4 out of 18 assignments used, quality = 0.92: * HA VAL 76 + HB2 GLN 79 OK 78 100 - 78 - 16044=50, 5852/3.0=17...(12) HA VAL 76 + HB3 GLN 79 OK 46 63 - 73 - 16044/1.8=46...(10) HA ARG 66 + HB2 GLN 79 OK 23 98 - 23 - ~5038=4, 2678/1.8=3...(9) HA GLN 61 + HB2 GLN 79 OK 12 100 - 12 - 5232/1.8=1, ~4656=1...(7) HA ALA 28 - HB2 GLN 79 lone 9 97 - 9 - 3.0/5867=1 HA ARG 66 - HB3 GLN 79 poor 6 59 - 11 - 5864/3.0=2, 5864/3.0=2 HA GLN 61 - HB3 GLN 79 lone 6 62 - 9 - 5232/1.8=1, 5232=1...(4) HA GLU 50 - HB2 GLN 79 lone 4 100 - 4 - HA ALA 28 - HB3 GLN 79 lone 4 58 - 7 - HA LYS 32 - HB2 GLN 79 lone 4 98 - 4 - HA2 GLY 72 - HB2 GLN 79 lone 4 100 - 4 - 3.0/5842=1 HA2 GLY 21 - HB2 GLN 79 lone 4 90 - 4 - HA3 GLY 21 - HB2 GLN 79 lone 4 89 - 4 - HA GLU 50 - HB3 GLN 79 lone 3 62 - 4 - HA2 GLY 72 - HB3 GLN 79 lone 2 62 - 3 - HA2 GLY 21 - HB3 GLN 79 lone 2 51 - 3 - HA3 GLY 21 - HB3 GLN 79 lone 2 50 - 3 - HA LYS 32 - HB3 GLN 79 lone 2 59 - 3 - Peak 6012 from cnoeabs.peaks (4.61, 2.76, 38.61 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.99: HA ASN 80 + HB3 ASN 80 OK 97 97 - 100 - 3.0=100 HA ASN 74 + HB3 ASN 74 OK 68 68 - 100 - 3.0=100 HA ASN 74 - HB3 ASN 80 OK 27 100 - 27 - 5423/1.8=8, 6052=5...(9) HA ASN 80 - HB3 ASN 74 OK 17 64 - 26 - 3050/1.8=4, 796/4.0=3...(12) HA PRO 36 - HB3 ASN 80 lone 4 99 - 4 - 5423/1.8=1 HA PRO 36 - HB3 ASN 74 lone 2 67 - 4 - ~1780=1 Peak 6031 from cnoeabs.peaks (3.97, 1.84, 32.59 ppm; 4.73 A): 4 out of 27 assignments used, quality = 0.93: HA VAL 76 + HB2 LYS 75 OK 66 100 - 66 - 3.0/340=18, 5856/3.0=13...(14) HA VAL 76 + HB2 LYS 73 OK 54 77 - 70 - ~16037=19, ~15432=18...(24) HA2 GLY 72 + HB2 LYS 73 OK 33 75 - 44 - 3.6/787=14, 5844=9...(11) * HA2 GLY 72 + HB2 LYS 75 OK 28 100 - 28 - 6034/4.0=7, 5844=4...(9) HA VAL 76 - HB2 LYS 39 OK 22 87 - 26 - 4.7/3068=6, 3.0/340=5...(7) HA LYS 32 - HB2 LYS 73 OK 22 73 - 31 - 5987/4.0=3, 1561/3.5=3...(13) HA GLN 61 - HB2 LYS 75 OK 18 100 - 18 - 2527/3.5=3, 2527/3.5=3...(6) HA LYS 32 - HB2 LYS 75 OK 14 98 - 14 - 812/4.6=2, 5851/4.0=1 HA ALA 28 - HB2 LYS 75 OK 12 97 - 13 - 3761/4.6=3, 3.6/3976=1...(4) HA GLU 50 - HB2 LYS 39 OK 12 86 - 14 - ~5790=5, 4509/4.4=4...(4) HA ARG 66 - HB2 LYS 75 OK 11 98 - 12 - 812/4.6=2, 4733/2.7=2...(5) HA LYS 32 - HB2 LYS 39 OK 11 83 - 13 - ~1865=1, ~1875=1 HA ALA 28 - HB2 LYS 73 poor 10 72 - 13 - 320/4.0=2, 4175/2.9=1...(5) HA2 GLY 21 - HB2 LYS 75 poor 10 90 - 11 - HA GLU 50 - HB2 LYS 75 lone 10 100 - 10 - 812/4.6=2, 4502/2.7=1 HA3 GLY 21 - HB2 LYS 75 poor 9 89 - 10 - HA ALA 28 - HB2 LYS 39 poor 9 82 - 11 - ~5321=2, 4308/4.4=1, 4836/1.8=1 HA GLN 61 - HB2 LYS 39 lone 8 87 - 10 - 4509/4.4=2, 4941/4.0=1 HA GLN 61 - HB2 LYS 73 poor 8 76 - 10 - ~4657=2, 320/4.0=2, 4502/2.9=1 HA ARG 66 - HB2 LYS 39 lone 7 83 - 9 - 4733/2.9=2, ~5037=1 HA2 GLY 21 - HB2 LYS 39 lone 7 73 - 10 - 5496=1, 1.8/5496=1 HA2 GLY 72 - HB2 LYS 39 lone 7 86 - 8 - 3.0/314=1 HA3 GLY 21 - HB2 LYS 39 lone 7 72 - 10 - 5496=1, 1.8/5496=1 HA ARG 66 - HB2 LYS 73 lone 5 73 - 7 - 4733/2.9=2, 5987/4.0=1 HA GLU 50 - HB2 LYS 73 lone 5 76 - 6 - HA2 GLY 21 - HB2 LYS 73 lone 3 64 - 5 - HA3 GLY 21 - HB2 LYS 73 lone 3 62 - 5 - Peak 6032 from cnoeabs.peaks (3.96, 1.79, 32.59 ppm; 5.20 A): 3 out of 60 assignments used, quality = 0.96: HA VAL 76 + HB3 LYS 75 OK 73 100 - 73 - ~3975=15, ~340=15...(17) HA VAL 76 + HB3 LYS 73 OK 70 91 - 77 - ~16037=23, ~15432=22...(25) HA2 GLY 72 + HB3 LYS 73 OK 46 93 - 49 - 3961/4.0=15, 5844/1.8=12...(11) ! HA2 GLY 72 - HB3 LYS 75 OK 34 100 - 35 - 6034/4.0=9, 5844/1.8=5...(10) HA LYS 32 - HB3 LYS 73 OK 29 82 - 36 - 1561/3.5=3, 1561/3.5=3...(13) HA VAL 76 - HB3 LYS 39 OK 26 92 - 28 - 4.7/3069=5, ~340=4...(7) HA THR 37 - HB3 LYS 39 OK 24 56 - 42 - 4266/4.4=17, 5603/4.0=14...(6) HA GLN 61 - HB3 LYS 75 OK 21 100 - 21 - 2527/3.5=3, 2527/3.5=3...(7) HA GLN 61 - HB2 LYS 13 OK 16 91 - 18 - 2527/3.5=3, 2527/3.5=3...(6) HA GLU 50 - HB3 LYS 39 OK 16 93 - 17 - ~5790=6, 4509/4.4=5...(4) HA LYS 32 - HB3 LYS 75 OK 16 93 - 17 - 812/4.6=3, 5851/4.0=2 HA VAL 76 - HB2 LYS 85 OK 16 91 - 17 - 4.7/3069=3, 3.0/341=2...(6) HA ALA 28 - HB3 LYS 73 OK 15 91 - 16 - 320/4.0=2, 4836=2...(5) HA ALA 28 - HB3 LYS 75 OK 15 100 - 15 - 3761/4.6=4, 5851/4.0=2, 4836=1 HA2 GLY 72 - HB2 LYS 85 OK 14 92 - 16 - 6034/4.0=5, 3.6/788=2...(4) HA LYS 32 - HB3 LYS 39 OK 14 83 - 17 - ~1865=1, ~1875=1...(5) HA ARG 66 - HB3 LYS 75 OK 14 93 - 15 - 812/4.6=3, 4733/2.7=2...(5) HA GLN 61 - HB3 LYS 73 OK 13 92 - 14 - ~4657=2, 320/4.0=2...(4) HA2 GLY 21 - HB3 LYS 75 OK 12 97 - 13 - 5496/1.8=1, 5851/4.0=1...(4) HA3 GLY 21 - HB3 LYS 75 OK 12 96 - 13 - 5496/1.8=1, 5851/4.0=1...(4) HA GLU 50 - HB3 LYS 75 OK 12 100 - 12 - 812/4.6=2, 4502/2.7=1...(4) HA VAL 76 - HB2 LYS 83 OK 12 99 - 12 - 3.0/341=2, 4.7/3069=2...(5) HA ALA 28 - HB3 LYS 39 OK 12 92 - 13 - ~5321=2, 4308/4.4=2, 4836=1 HA2 GLY 72 - HB3 LYS 39 OK 12 93 - 13 - 3.6/788=1, 4308/4.4=1 HA LYS 32 - HB2 LYS 13 OK 12 81 - 14 - 5543/3.0=2, 5543/3.0=2, ~5541=1 HA GLN 61 - HB3 LYS 39 OK 11 93 - 11 - 4509/4.4=3, 4941/4.0=1 HA2 GLY 21 - HB3 LYS 39 OK 10 87 - 12 - 5496/1.8=1, 4308/4.4=1...(4) HA3 GLY 21 - HB3 LYS 39 OK 10 86 - 12 - 5496/1.8=1, 4308/4.4=1...(4) HA ARG 66 - HB3 LYS 39 poor 9 83 - 11 - 4733/2.9=2, ~5037=1 HA ALA 28 - HB2 LYS 83 lone 9 99 - 9 - 1470/4.3=2 HA VAL 76 - HB2 LYS 13 lone 9 90 - 10 - 4.7/3069=3, 3.0/341=2 HA GLU 50 - HB3 LYS 73 lone 8 92 - 9 - HA ARG 66 - HB3 LYS 73 lone 8 82 - 9 - 4733/2.9=2, 320/4.0=1 HA LYS 32 - HB2 LYS 85 lone 7 82 - 8 - 5543/2.9=1 HA ALA 28 - HB2 LYS 85 lone 7 91 - 7 - HA ALA 28 - HB2 LYS 13 lone 7 90 - 7 - 4175/3.0=1 HA2 GLY 72 - HB2 LYS 13 lone 6 91 - 7 - 3.6/788=1 HA ARG 66 - HB2 LYS 13 lone 6 81 - 7 - ~744=1 HA THR 37 - HB3 LYS 75 lone 6 65 - 9 - 5603/594=1 HA2 GLY 72 - HB2 LYS 83 lone 6 99 - 6 - 3.6/788=1 HA2 GLY 21 - HB3 LYS 73 lone 5 86 - 6 - HA3 GLY 21 - HB3 LYS 73 lone 5 85 - 6 - HA ARG 66 - HB2 LYS 85 lone 5 82 - 6 - HA2 GLY 21 - HB2 LYS 83 lone 5 95 - 5 - HA3 GLY 21 - HB2 LYS 83 lone 5 94 - 5 - HA ARG 66 - HB2 LYS 83 lone 5 92 - 5 - HA LYS 32 - HB2 LYS 83 lone 5 92 - 5 - HA GLU 50 - HB2 LYS 13 lone 4 91 - 4 - HA GLU 50 - HB2 LYS 85 lone 4 92 - 4 - HA GLN 61 - HB2 LYS 85 lone 3 92 - 4 - HA THR 37 - HB3 LYS 73 lone 4 55 - 6 - HA GLU 50 - HB2 LYS 83 lone 3 99 - 3 - HA THR 37 - HB2 LYS 83 lone 3 64 - 5 - HA GLN 61 - HB2 LYS 83 lone 3 99 - 3 - HA2 GLY 21 - HB2 LYS 85 lone 3 86 - 3 - HA3 GLY 21 - HB2 LYS 85 lone 3 84 - 3 - HA THR 37 - HB2 LYS 85 lone 3 55 - 5 - HA THR 37 - HB2 LYS 13 lone 3 54 - 5 - HA2 GLY 21 - HB2 LYS 13 lone 2 85 - 3 - HA3 GLY 21 - HB2 LYS 13 lone 2 84 - 3 - Peak 6033 from cnoeabs.peaks (8.09, 3.74, 46.02 ppm; 5.44 A): 3 out of 3 assignments used, quality = 0.69: H ARG 71 + HA3 GLY 72 OK 50 89 - 57 - 5397/3.0=27, 6034/1.8=20...(9) H LYS 75 + HA3 GLY 72 OK 26 100 - 26 - 6034/1.8=12, 5397/3.0=7...(4) H LYS 85 + HA3 GLY 72 OK 15 90 - 17 - 6034/1.8=7, 5397/3.0=4 Peak 6034 from cnoeabs.peaks (8.10, 3.96, 46.02 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.78: H ARG 71 + HA2 GLY 72 OK 57 99 - 58 - 5397/3.0=30, 6033/1.8=21...(8) H LYS 75 + HA2 GLY 72 OK 35 99 - 36 - 6033/1.8=11, 5851=8...(7) H LYS 85 + HA2 GLY 72 OK 21 99 - 21 - 6033/1.8=7, 5397/3.0=5...(5) Peak 6036 from cnoeabs.peaks (1.83, 3.74, 46.02 ppm; 4.93 A): 7 out of 14 assignments used, quality = 0.94: HB2 ARG 69 + HA3 GLY 72 OK 52 73 - 71 - ~15492=21, 5844/1.8=15...(17) HB2 LYS 73 + HA3 GLY 72 OK 47 100 - 47 - 787/3.6=18, 5844/1.8=11...(13) HB2 ARG 71 + HA3 GLY 72 OK 36 68 - 54 - 4.0/6033=14, ~314=10...(12) HB3 ARG 71 + HA3 GLY 72 OK 35 65 - 54 - 4.0/6033=14, ~314=10...(12) HB2 LYS 75 + HA3 GLY 72 OK 24 90 - 26 - 4.0/6033=7, 5844/1.8=5...(8) HB ILE 89 + HA3 GLY 72 OK 20 100 - 20 - 787/3.6=7, 5844/1.8=4...(6) HB2 LYS 85 + HA3 GLY 72 OK 12 73 - 16 - 4.0/6033=4, 787/3.6=4...(5) HB3 ARG 84 - HA3 GLY 72 poor 8 73 - 11 - 4.6/6033=4, 787/3.6=2 HB2 ARG 27 - HA3 GLY 72 lone 6 68 - 8 - ~314=1, ~313=1, ~5386=1 HB2 ARG 23 - HA3 GLY 72 lone 6 83 - 7 - HB3 ARG 23 - HA3 GLY 72 lone 6 81 - 7 - HB3 ARG 27 - HA3 GLY 72 lone 5 65 - 8 - ~314=1, ~313=1, ~5386=1 HB2 ARG 17 - HA3 GLY 72 lone 5 95 - 6 - HB2 LYS 39 - HA3 GLY 72 lone 5 63 - 7 - ~5841=1 Peak 6037 from cnoeabs.peaks (2.04, 4.18, 56.67 ppm; 4.18 A): 8 out of 64 assignments used, quality = 0.86: * HB VAL 76 + HA LYS 73 OK 60 99 - 61 - 15432=40, 4.0/5431=6...(15) HD3 ARG 69 + HA LYS 73 OK 21 91 - 23 - ~2816=2, 3.0/2963=2...(10) HD2 ARG 69 + HA LYS 73 OK 21 91 - 23 - ~2816=2, 3.0/2963=2...(10) HB3 MET 31 + HA LEU 29 OK 12 41 - 29 - ~3772=4, 3773/3.0=3...(12) HB VAL 76 + HA LEU 29 OK 11 70 - 16 - 4.0/5431=3, 5432=2...(5) HB2 GLU 25 + HA LEU 29 OK 11 66 - 16 - ~4184=3, 5531/4.9=2...(5) HB3 GLU 25 + HA LEU 29 OK 11 65 - 16 - ~4184=3, 5531/4.9=2...(5) HB VAL 76 + HA ARG 84 OK 10 97 - 10 - 4.0/5431=2, 5432=2...(4) HB VAL 90 - HA LEU 29 poor 7 41 - 18 - 3.9/412=4, ~5348=2...(7) HB2 GLU 25 - HA ARG 84 lone 5 94 - 6 - HB3 GLU 25 - HA ARG 84 lone 5 93 - 6 - HG2 PRO 44 - HA LEU 29 lone 5 70 - 7 - ~4924=2, ~4925=2 HD2 ARG 69 - HA ARG 84 lone 4 88 - 5 - HD3 ARG 69 - HA ARG 84 lone 4 88 - 5 - HD3 ARG 69 - HA LEU 29 lone 4 61 - 7 - ~3944=1, ~3943=1 HD2 ARG 69 - HA LEU 29 lone 4 61 - 7 - ~3944=1, ~3943=1 HB VAL 90 - HA LYS 73 lone 4 66 - 6 - 3.9/412=3 HB3 GLU 19 - HA ARG 84 lone 4 96 - 4 - HB2 GLU 25 - HA LYS 73 lone 3 96 - 3 - HB3 GLU 25 - HA LYS 73 lone 3 95 - 3 - HB VAL 76 - HA ARG 82 lone 3 54 - 6 - 5448/3.0=2, 5432=1 HB3 PRO 56 - HA LYS 73 lone 3 92 - 3 - 4.0/3963=1 HB2 GLU 50 - HA LEU 29 lone 3 70 - 4 - HB3 GLU 50 - HA LEU 29 lone 3 70 - 4 - HB2 GLU 50 - HA LYS 73 lone 3 99 - 3 - HB3 GLU 50 - HA LYS 73 lone 3 99 - 3 - HB3 MET 31 - HA LYS 73 lone 3 66 - 4 - HB VAL 90 - HA ARG 84 lone 2 63 - 4 - 3.9/412=2 HG2 PRO 44 - HA ARG 84 lone 2 97 - 2 - HB2 GLU 87 - HA ARG 84 lone 2 89 - 2 - HB3 GLU 50 - HA ARG 84 lone 2 97 - 2 - HB2 GLU 50 - HA ARG 84 lone 2 97 - 2 - HG2 PRO 56 - HA LYS 73 lone 2 97 - 2 - HB3 GLU 19 - HA ARG 82 lone 2 52 - 3 - 1218/3.6=2 HG2 PRO 44 - HA LYS 73 lone 2 99 - 2 - HB3 GLU 19 - HA LYS 73 lone 2 98 - 2 - HB2 GLU 87 - HA LYS 73 lone 2 92 - 2 - HB3 MET 31 - HA ARG 84 lone 1 63 - 2 - HB3 GLN 91 - HA ARG 84 lone 1 97 - 1 - HB3 PRO 56 - HA ARG 84 lone 1 89 - 1 - HB3 GLN 91 - HA LYS 73 lone 1 99 - 1 - HG2 PRO 56 - HA ARG 84 lone 1 95 - 1 - HB VAL 90 - HA ARG 82 lone 1 30 - 4 - HB3 GLU 19 - HA LEU 29 lone 1 68 - 2 - HB3 GLN 91 - HA LEU 29 lone 1 70 - 1 - HB2 GLU 87 - HA LEU 29 lone 1 62 - 2 - HB3 PRO 56 - HA LEU 29 lone 1 62 - 2 - HB3 GLN 91 - HA ARG 82 lone 1 53 - 2 - HG2 PRO 56 - HA LEU 29 lone 1 68 - 1 - HB2 GLU 87 - HA ARG 82 lone 1 47 - 2 - HB VAL 45 - HA LYS 73 lone 1 78 - 1 - HB VAL 45 - HA ARG 84 lone 1 75 - 1 - HD2 ARG 69 - HA ARG 82 lone 1 46 - 2 - HD3 ARG 69 - HA ARG 82 lone 1 46 - 2 - HB2 GLU 25 - HA ARG 82 lone 1 50 - 1 - HB3 GLU 25 - HA ARG 82 lone 1 50 - 1 - HG2 PRO 44 - HA ARG 82 lone 1 53 - 1 - HB3 GLU 50 - HA ARG 82 lone 1 53 - 1 - HB2 GLU 50 - HA ARG 82 lone 1 53 - 1 - HB VAL 45 - HA LEU 29 lone 1 50 - 1 - HB3 MET 31 - HA ARG 82 lone 1 30 - 2 - HG2 PRO 56 - HA ARG 82 lone 0 52 - 1 - HB3 PRO 56 - HA ARG 82 lone 0 47 - 1 - HB VAL 45 - HA ARG 82 lone 0 37 - 1 - Peak 6038 from cnoeabs.peaks (7.96, 4.18, 56.67 ppm; 3.52 A): 4 out of 32 assignments used, quality = 0.92: H LEU 29 + HA LEU 29 OK 68 68 - 100 - 3.0=100 H ALA 30 + HA LEU 29 OK 43 44 - 98 - 3.6=96, 908/3.0=12...(14) H VAL 76 + HA LYS 73 OK 41 99 - 42 - 4.0/16037=17, 5431=6...(15) H ARG 70 + HA LYS 73 OK 25 98 - 25 - 295/3.0=5, ~5987=4...(9) H ALA 63 - HA LEU 29 OK 21 53 - 39 - 908/3.0=5, 1483/3.0=5...(15) H LEU 29 - HA ARG 84 OK 20 95 - 21 - 76/3.0=4, 546/3.0=3...(6) H LYS 32 - HA LEU 29 OK 18 55 - 34 - 79/3.6=5, 4.6/5188=5...(15) H LEU 29 - HA LYS 73 OK 18 97 - 19 - 908/3.0=3, 545=3...(5) H LYS 32 - HA LYS 73 OK 14 84 - 17 - ~5987=2, 4.0/3242=1...(6) H VAL 76 - HA LEU 29 OK 14 70 - 19 - 5431=3, 908/3.0=2...(9) H ARG 69 - HA LYS 73 OK 13 71 - 19 - 760/3.0=2, 4.1/5403=2...(7) H ARG 70 - HA ARG 84 OK 13 96 - 14 - 5390/3.6=4, 297/3.0=2...(4) H ARG 70 - HA LEU 29 OK 12 68 - 17 - 79/3.6=3, 1483/3.0=3...(5) H VAL 76 - HA ARG 84 OK 11 97 - 11 - 5431=2, 5411/3.0=1 H ALA 63 - HA LYS 73 lone 7 82 - 9 - 726/3.8=1 H ALA 30 - HA ARG 84 poor 7 68 - 11 - 5538/3.0=2, 81/3.0=1, 80=1 H ALA 30 - HA LYS 73 lone 6 71 - 9 - 80=1, 4.6/1484=1, 4.6/545=1 H LEU 29 - HA ARG 82 lone 5 52 - 9 - 545=1, 548/3.0=1 H ARG 69 - HA LEU 29 lone 4 44 - 9 - 908/3.0=2 H ARG 69 - HA ARG 84 lone 4 68 - 6 - 5825/3.6=2 H LYS 32 - HA ARG 84 lone 4 81 - 5 - H ASP 67 - HA LEU 29 lone 3 37 - 8 - 1483/3.0=1, 79/3.6=1, 1497/3.7=1 H ALA 63 - HA ARG 84 lone 3 79 - 4 - H VAL 76 - HA ARG 82 lone 2 54 - 4 - H ASP 67 - HA ARG 84 lone 2 58 - 3 - H ASP 67 - HA LYS 73 lone 2 60 - 3 - H ARG 70 - HA ARG 82 lone 1 52 - 2 - H LYS 32 - HA ARG 82 lone 1 41 - 3 - H ALA 30 - HA ARG 82 lone 1 33 - 4 - H ALA 63 - HA ARG 82 lone 1 40 - 2 - H ASP 67 - HA ARG 82 lone 1 27 - 2 - H ARG 69 - HA ARG 82 lone 0 33 - 1 - Peak 6040 from cnoeabs.peaks (4.62, 1.38, 18.78 ppm; 3.44 A): 4 out of 12 assignments used, quality = 0.87: * HA ASN 74 + QB ALA 77 OK 57 100 - 57 - 16041=42, 6039/2.9=8...(11) HA ASN 80 + QB ALA 77 OK 52 99 - 52 - ~15859=12, 6041=8...(13) HA ASN 74 + QB ALA 78 OK 22 92 - 24 - 16041/4.6=15, 6041=3, 3.0/3989=1 HA ASN 80 + QB ALA 78 OK 18 90 - 21 - 6041=3, 6041/4.6=3...(11) HA ASN 80 - QB ALA 20 lone 4 99 - 4 - HA ASN 74 - QB ALA 20 lone 2 100 - 2 - HA PRO 36 - QB ALA 77 lone 1 98 - 1 - HA PRO 36 - QB ALA 78 lone 1 88 - 1 - HA PRO 36 - QB ALA 20 lone 1 98 - 1 - HA ASN 80 - QB ALA 16 lone 1 60 - 1 - HA ASN 74 - QB ALA 16 lone 1 63 - 1 - HA PRO 36 - QB ALA 16 lone 0 59 - 0 - Peak 6041 from cnoeabs.peaks (1.38, 4.62, 53.40 ppm; 3.64 A): 9 out of 26 assignments used, quality = 0.94: QB ALA 77 + HA ASN 80 OK 60 99 - 60 - 6040=16, ~15859=13...(13) * QB ALA 77 + HA ASN 74 OK 43 100 - 43 - 6040=18, 2.9/6039=9...(12) QB ALA 78 + HA ASN 80 OK 24 93 - 26 - 4.6/6040=6, 6040=6...(11) QB ALA 78 + HA ASN 74 OK 19 96 - 20 - 6040=7, 4.6/6040=6, 3185/3.0=1 HG2 LYS 83 + HA ASN 80 OK 17 97 - 18 - 4.6/6056=8, 2.9/6055=4...(4) HG3 LYS 73 + HA ASN 74 OK 17 96 - 18 - ~324=5, ~325=3...(5) HG2 LYS 75 + HA ASN 74 OK 15 93 - 16 - 805/3.6=3, 5058/3.0=2...(8) HG3 LYS 75 + HA ASN 74 OK 15 93 - 16 - 805/3.6=3, 5058/3.0=2...(8) HG2 LYS 85 + HA ASN 74 OK 10 100 - 10 - 2.9/6055=2, 5892/3.6=1 HG2 LYS 83 - HA ASN 74 lone 9 99 - 9 - 4.6/6056=3, 2.9/6055=2 HG2 LYS 85 - HA ASN 80 lone 9 99 - 9 - 2.9/6055=2, 4.8/3972=1 HG2 LYS 75 - HA ASN 80 lone 8 91 - 9 - 4.8/333=2 HG3 LYS 75 - HA ASN 80 lone 8 91 - 9 - 4.8/333=2 HG3 ARG 69 - HA ASN 74 lone 7 100 - 7 - 327/3.0=1 HB3 ARG 69 - HA ASN 74 lone 6 85 - 7 - 327/3.0=1, 806/3.6=1 QB ALA 20 - HA ASN 80 lone 5 99 - 5 - 6040=1 HG3 ARG 69 - HA ASN 80 lone 4 99 - 4 - HG3 LYS 73 - HA ASN 80 lone 4 93 - 4 - QB ALA 53 - HA ASN 80 lone 3 86 - 4 - 6019/4.3=1 HB3 ARG 69 - HA ASN 80 lone 3 82 - 4 - HG3 LYS 39 - HA ASN 74 lone 3 60 - 5 - 805/3.6=1 QB ALA 20 - HA ASN 74 lone 3 100 - 3 - QB ALA 53 - HA ASN 74 lone 2 89 - 3 - HG3 LYS 39 - HA ASN 80 lone 2 58 - 3 - QB ALA 16 - HA ASN 80 lone 1 88 - 1 - QB ALA 16 - HA ASN 74 lone 1 90 - 1 - Peak 6044 from cnoeabs.peaks (1.97, 3.97, 62.83 ppm; 4.20 A): 7 out of 11 assignments used, quality = 0.87: * HB2 GLN 79 + HA VAL 76 OK 53 100 - 53 - 3.0/5852=13, 3.0/5852=13...(12) HB3 GLN 79 + HA VAL 76 OK 30 63 - 48 - 3.0/5852=13, 3.0/5852=13...(10) HB2 LEU 64 + HA VAL 76 OK 23 100 - 23 - 4695=3, 5016/3.0=2...(11) QE MET 31 + HA VAL 76 OK 20 76 - 26 - 5079=4, 3.3/4202=2...(11) HB2 ARG 70 + HA VAL 76 OK 14 96 - 14 - 4.1/3156=4, ~2840=2, ~2864=1 HB3 ARG 70 + HA VAL 76 OK 14 96 - 14 - 4.1/3156=4, ~2840=2, ~2864=1 HB3 ARG 66 + HA VAL 76 OK 13 71 - 18 - 2.8/2707=2, 4.0/740=2...(6) HG LEU 57 - HA VAL 76 lone 7 96 - 7 - HG LEU 43 - HA VAL 76 lone 5 78 - 6 - HG2 PRO 14 - HA VAL 76 lone 2 87 - 2 - HG3 PRO 14 - HA VAL 76 lone 2 87 - 2 - Peak 6046 from cnoeabs.peaks (2.75, 4.23, 52.70 ppm; 4.50 A): 2 out of 12 assignments used, quality = 0.76: HB3 ASN 80 + HA ALA 77 OK 72 99 - 72 - 1.8/15859=43, 5875=14...(9) HB3 ASN 80 + HA ALA 78 OK 17 52 - 33 - 1.8/5859=8, 5879/4.9=5...(10) HB2 ASN 42 - HA ALA 77 lone 5 99 - 5 - HB3 ASN 42 - HA ALA 77 lone 5 97 - 5 - HB3 ASN 80 - HA ALA 20 lone 3 49 - 6 - 1.8/5859=1 HB2 ASN 42 - HA ALA 20 lone 3 49 - 5 - HB3 ASN 42 - HA ALA 20 lone 2 47 - 5 - HD2 PRO 34 - HA ALA 77 lone 2 65 - 2 - 5876/15859=1 HB2 ASN 42 - HA ALA 78 lone 1 51 - 1 - HB3 ASN 42 - HA ALA 78 lone 1 50 - 1 - HD2 PRO 34 - HA ALA 78 lone 0 29 - 2 - HD2 PRO 34 - HA ALA 20 lone 0 27 - 1 - Peak 6048 from cnoeabs.peaks (7.08, 4.21, 52.88 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.82: QD TYR 81 + HA ALA 78 OK 79 100 - 79 - 2.5/15862=41...(10) QD TYR 81 + HA ALA 77 OK 14 57 - 25 - 4685/2.1=8, 2.5/5862=5...(6) QD PHE 48 - HA ALA 78 lone 9 98 - 9 - 5462/15862=4...(3) QD PHE 48 - HA ALA 77 lone 2 53 - 4 - Peak 6049 from cnoeabs.peaks (2.98, 4.21, 52.88 ppm; 4.67 A): 2 out of 22 assignments used, quality = 0.78: HB3 TYR 81 + HA ALA 78 OK 75 100 - 75 - 1.8/15862=41...(7) HB3 TYR 81 + HA ALA 77 OK 13 57 - 23 - 1.8/5862=5, 5459=5...(5) HE2 LYS 75 - HA ALA 78 lone 5 90 - 6 - HE3 LYS 75 - HA ALA 78 lone 5 89 - 6 - HE2 LYS 73 - HA ALA 78 lone 4 73 - 6 - HE3 LYS 73 - HA ALA 78 lone 4 71 - 6 - HE3 LYS 39 - HA ALA 78 lone 4 100 - 4 - HE2 LYS 39 - HA ALA 78 lone 4 100 - 4 - HE2 LYS 75 - HA ALA 77 lone 3 46 - 6 - ~818=1 HE3 LYS 75 - HA ALA 77 lone 3 45 - 6 - ~818=1 HE2 LYS 13 - HA ALA 78 lone 2 97 - 2 - HE3 LYS 13 - HA ALA 78 lone 2 97 - 2 - HE3 LYS 32 - HA ALA 78 lone 2 76 - 2 - HE2 LYS 32 - HA ALA 78 lone 2 73 - 2 - HE3 LYS 39 - HA ALA 77 lone 1 57 - 2 - HE2 LYS 39 - HA ALA 77 lone 1 57 - 2 - HE2 LYS 13 - HA ALA 77 lone 1 52 - 2 - HE3 LYS 13 - HA ALA 77 lone 1 51 - 2 - HE2 LYS 73 - HA ALA 77 lone 1 35 - 3 - HE3 LYS 73 - HA ALA 77 lone 1 33 - 3 - HE3 LYS 32 - HA ALA 77 lone 1 36 - 2 - HE2 LYS 32 - HA ALA 77 lone 1 35 - 2 - Peak 6050 from cnoeabs.peaks (8.04, 4.20, 56.12 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.91: H ARG 82 + HA ARG 82 OK 74 74 - 100 - 3.0=100 H ARG 82 + HA GLN 79 OK 35 100 - 35 - 4.3/5868=11, 4.1/5458=5...(8) H TYR 81 + HA GLN 79 OK 32 100 - 33 - 4.5/5868=10, 5882=9...(6) H TYR 81 + HA ARG 82 OK 22 74 - 30 - ~5474=15, 4.5/5868=8...(7) H GLN 91 - HA GLN 79 lone 2 90 - 3 - H GLN 91 - HA ARG 82 lone 2 61 - 3 - Peak 6051 from cnoeabs.peaks (1.77, 4.20, 56.12 ppm; 3.27 A): 2 out of 34 assignments used, quality = 0.76: HB3 ARG 82 + HA ARG 82 OK 73 73 - 100 - 3.0=100 HB2 ARG 54 + HA ARG 82 OK 12 73 - 16 - 5476/3.0=3, ~5478=2...(5) HB3 ARG 82 - HA GLN 79 lone 10 100 - 10 - 4.0/6050=3, 1.8/3235=2 HB2 LYS 83 - HA ARG 82 poor 10 65 - 15 - 361/3.6=6, 1.8/6062=2...(5) HB3 LYS 73 - HA ARG 82 poor 9 70 - 14 - 3287/3.6=1, 2979=1...(6) HB3 LYS 73 - HA GLN 79 lone 6 98 - 6 - HB3 LYS 75 - HA GLN 79 lone 6 85 - 7 - 4.6/5431=2, 2.7/5446=1 HB2 PRO 34 - HA ARG 82 lone 6 68 - 9 - 6123/3.0=1 HG2 PRO 34 - HA ARG 82 lone 6 70 - 8 - HB3 LYS 32 - HA ARG 82 lone 6 73 - 8 - HB2 LYS 32 - HA ARG 82 lone 6 73 - 8 - HB3 LYS 39 - HA ARG 82 lone 5 64 - 8 - HB2 LYS 83 - HA GLN 79 lone 5 95 - 5 - HB3 LYS 75 - HA ARG 82 lone 3 56 - 5 - 3287/3.6=1 HB2 LEU 57 - HA GLN 79 lone 2 100 - 2 - HB2 ARG 54 - HA GLN 79 lone 2 100 - 2 - HG3 ARG 71 - HA ARG 82 lone 2 59 - 3 - HB2 LYS 13 - HA ARG 82 lone 2 52 - 3 - HB3 LYS 39 - HA GLN 79 lone 2 93 - 2 - HB ILE 33 - HA ARG 82 lone 2 74 - 2 - HB2 LYS 32 - HA GLN 79 lone 1 100 - 1 - HB3 LYS 32 - HA GLN 79 lone 1 100 - 1 - HB2 LEU 57 - HA ARG 82 lone 1 74 - 2 - HB2 PRO 34 - HA GLN 79 lone 1 97 - 1 - HB2 LEU 62 - HA ARG 82 lone 1 51 - 2 - HG2 PRO 34 - HA GLN 79 lone 1 98 - 1 - HB3 ARG 17 - HA ARG 82 lone 1 45 - 2 - HB2 LYS 13 - HA GLN 79 lone 1 81 - 1 - HG3 ARG 26 - HA ARG 82 lone 1 54 - 2 - HB ILE 33 - HA GLN 79 lone 1 100 - 1 - HG3 ARG 71 - HA GLN 79 lone 1 89 - 1 - HG3 ARG 26 - HA GLN 79 lone 1 83 - 1 - HB2 LEU 62 - HA GLN 79 lone 1 78 - 1 - HB3 ARG 17 - HA GLN 79 lone 0 71 - 1 - Peak 6052 from cnoeabs.peaks (2.75, 4.62, 53.37 ppm; 3.11 A): 2 out of 10 assignments used, quality = 1.00: HB3 ASN 80 + HA ASN 80 OK 100 100 - 100 - 3.0=100 HB3 ASN 74 + HA ASN 74 OK 59 59 - 100 - 3.0=100 HB3 ASN 80 - HA ASN 74 OK 23 99 - 23 - 1.8/5423=7, 6012=5...(7) HB3 ASN 74 - HA ASN 80 OK 13 60 - 22 - 1.8/3055=4, 6012=3...(11) HD2 PRO 34 - HA ASN 80 poor 6 57 - 11 - ~1733=2, ~1726=2...(6) HB2 ASN 42 - HA ASN 80 lone 5 100 - 5 - 6023/4.3=1 HB3 ASN 42 - HA ASN 80 lone 5 99 - 5 - 6023/4.3=1 HB2 ASN 42 - HA ASN 74 lone 2 99 - 2 - HB3 ASN 42 - HA ASN 74 lone 2 98 - 2 - HD2 PRO 34 - HA ASN 74 lone 1 56 - 2 - Peak 6053 from cnoeabs.peaks (1.77, 4.62, 53.37 ppm; 4.51 A): 11 out of 38 assignments used, quality = 0.94: HB2 LYS 83 + HA ASN 80 OK 35 99 - 36 - 4.0/6056=15, 1.8/6055=9...(10) HB3 LYS 73 + HA ASN 74 OK 30 99 - 31 - ~324=12, 325/3.0=11...(5) HB2 LEU 57 + HA ASN 74 OK 29 98 - 29 - 2435/3.0=7, ~2442=5...(8) HB2 PRO 34 + HA ASN 80 OK 28 100 - 28 - 3.0/5424=4, ~1726=4...(11) HG2 PRO 34 + HA ASN 80 OK 23 92 - 26 - 1726/3.0=6, ~1733=4...(9) HB3 LYS 75 + HA ASN 74 OK 21 93 - 23 - 804/3.6=7, 325/3.0=2...(10) HB3 ARG 82 + HA ASN 80 OK 17 98 - 17 - 4.4/6056=14, 6123/3.6=2 HB2 LYS 83 + HA ASN 74 OK 16 98 - 16 - 4.0/6056=5, 1.8/6055=4...(5) HB ILE 33 + HA ASN 80 OK 15 99 - 15 - 4849/3.0=3, 4.8/5424=3...(6) HB3 LYS 75 + HA ASN 80 OK 13 94 - 14 - 4.0/333=4, ~5869=1...(6) HB2 LYS 85 + HA ASN 80 OK 11 63 - 18 - 1.8/6055=5, ~6154=2...(7) HB2 LYS 85 - HA ASN 74 poor 9 61 - 15 - 1.8/6055=5, 804/3.6=2...(4) HB3 LYS 73 - HA ASN 80 lone 9 100 - 9 - 4.3/796=5 HB3 LYS 39 - HA ASN 74 lone 8 98 - 9 - 804/3.6=3, ~5202=1 HB3 ARG 82 - HA ASN 74 lone 8 97 - 8 - 4.4/6056=5 HG2 PRO 34 - HA ASN 74 lone 7 91 - 7 - 4859/3.0=3 HB2 PRO 34 - HA ASN 74 lone 7 99 - 7 - ~4859=2 HB2 ARG 69 - HA ASN 74 lone 6 61 - 9 - 804/3.6=2, ~327=1, 325/3.0=1 HG3 ARG 71 - HA ASN 74 lone 5 74 - 7 - 2928/3.6=2, 5.0/3972=2 HB3 LYS 39 - HA ASN 80 lone 5 99 - 5 - HB2 ARG 54 - HA ASN 80 lone 5 98 - 5 - 6123/3.6=1, 2307/4.3=1 HB3 ARG 84 - HA ASN 80 lone 5 63 - 8 - 6058/4.8=2, 4.6/3972=2 HB2 LYS 13 - HA ASN 74 lone 4 91 - 4 - 804/3.6=2 HB3 LYS 32 - HA ASN 74 lone 4 100 - 4 - HB2 LYS 32 - HA ASN 74 lone 4 100 - 4 - HB ILE 33 - HA ASN 74 lone 4 99 - 4 - HB3 ARG 84 - HA ASN 74 lone 4 61 - 6 - 4.6/3972=1, ~323=1 HB2 LYS 13 - HA ASN 80 lone 3 92 - 4 - HB2 LEU 62 - HA ASN 74 lone 3 61 - 5 - ~5962=2 HB2 LEU 57 - HA ASN 80 lone 3 99 - 3 - HG3 ARG 26 - HA ASN 74 lone 3 67 - 5 - 4.9/796=1 HB3 LYS 32 - HA ASN 80 lone 3 100 - 3 - HB2 LYS 32 - HA ASN 80 lone 3 100 - 3 - HB2 ARG 69 - HA ASN 80 lone 3 63 - 4 - HB2 ARG 54 - HA ASN 74 lone 2 97 - 2 - HG3 ARG 71 - HA ASN 80 lone 1 76 - 2 - HB2 LEU 62 - HA ASN 80 lone 1 63 - 2 - HG3 ARG 26 - HA ASN 80 lone 1 68 - 1 - Peak 6054 from cnoeabs.peaks (4.63, 4.62, 53.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASN 80 + HA ASN 80 OK 99 99 - 100 HA ASN 74 + HA ASN 74 OK 92 92 - 100 Peak 6055 from cnoeabs.peaks (4.63, 1.72, 32.58 ppm; 5.59 A): 4 out of 6 assignments used, quality = 0.72: HA ASN 80 + HB3 LYS 83 OK 43 96 - 45 - 6056/4.0=23, ~6154=6...(11) HA ASN 80 + HB3 LYS 85 OK 23 97 - 23 - ~6154=3, 6056/3297=3...(11) HA ASN 74 + HB3 LYS 85 OK 22 89 - 25 - 3.6/3443=6, ~324=2...(8) HA ASN 74 + HB3 LYS 83 OK 20 87 - 23 - 6056/4.0=9, 3.6/3443=3...(6) HA PRO 36 - HB3 LYS 83 lone 4 67 - 5 - 6056/4.0=1 HA PRO 36 - HB3 LYS 85 lone 4 68 - 5 - Peak 6058 from cnoeabs.peaks (4.46, 1.80, 30.41 ppm; 5.08 A): 0 out of 24 assignments used, low quality = 0.31: HA TYR 81 - HB3 ARG 84 OK 22 100 - 23 - 6059=7, 6057/4.0=5...(7) HA PRO 14 - HB2 PRO 34 OK 11 65 - 17 - 3.6/4813=3, 3.6/4820=3...(8) HA ASP 67 - HB3 LYS 32 poor 10 43 - 23 - 2730/4.0=3, ~3779=2...(9) HA ASP 67 - HB2 LYS 32 poor 10 43 - 23 - 2730/4.0=3, ~3779=2...(9) HA TYR 81 - HB2 PRO 34 poor 9 69 - 13 - ~5470=3, 6059=2...(7) HA SER 22 - HB2 PRO 34 poor 9 56 - 15 - ~4862=3, 6059=3, ~5497=3...(6) HA ASP 67 - HB3 ARG 84 lone 7 96 - 7 - 6057/4.0=2, 5049/1.8=1 HA SER 22 - HB3 ARG 84 lone 6 89 - 7 - 6059=2, 6057/4.0=1 HA PRO 14 - HB3 ARG 84 lone 5 97 - 5 - 3.6/5891=1 HA ASP 46 - HB2 PRO 34 poor 5 37 - 13 - ~1733=2, ~1705=2...(5) HA ASP 24 - HB3 ARG 84 lone 4 78 - 5 - 6057/4.0=2 HA TYR 81 - HB3 LYS 32 lone 3 48 - 6 - HA TYR 81 - HB2 LYS 32 lone 3 48 - 6 - HA ASP 67 - HB2 PRO 34 lone 2 63 - 4 - HA ASP 46 - HB3 ARG 84 lone 2 63 - 4 - HA PRO 14 - HB3 LYS 32 lone 2 45 - 4 - HA PRO 14 - HB2 LYS 32 lone 2 45 - 4 - HA ASP 24 - HB2 PRO 34 lone 2 48 - 4 - HA SER 22 - HB2 LYS 32 lone 1 38 - 3 - HA SER 22 - HB3 LYS 32 lone 1 38 - 3 - HA ASP 24 - HB3 LYS 32 lone 1 32 - 3 - HA ASP 24 - HB2 LYS 32 lone 1 32 - 3 - HA ASP 46 - HB2 LYS 32 lone 1 24 - 3 - HA ASP 46 - HB3 LYS 32 lone 1 24 - 3 - Peak 6059 from cnoeabs.peaks (1.81, 4.46, 58.30 ppm; 5.65 A): 0 out of 20 assignments used, low quality = 0.44: HB3 ARG 84 - HA TYR 81 OK 27 100 - 28 - 6058=9, 4.0/6057=5...(7) HB2 LYS 73 - HA TYR 81 OK 13 92 - 14 - ~5458=2, ~5459=2, ~5882=2 HB2 PRO 34 - HA SER 22 OK 11 56 - 19 - 6058=4, ~4862=4, ~5497=3...(6) HB2 LYS 83 - HA TYR 81 poor 10 68 - 14 - 4.0/5501=6, 4.3/6057=5 HB2 PRO 34 - HA TYR 81 poor 9 63 - 15 - 6058=4, ~5470=3...(5) HB2 ARG 69 - HA TYR 81 lone 9 100 - 9 - 4.3/4792=3, 4.0/5819=2 HB3 ARG 84 - HA SER 22 lone 8 94 - 9 - 6058=3, 4.0/6057=2 HB3 LYS 39 - HA TYR 81 lone 6 71 - 9 - 4.7/5455=1, 4.7/5455=1 HB2 ARG 69 - HA SER 22 lone 6 94 - 6 - 4.3/4792=2 HB2 LYS 85 - HA TYR 81 lone 5 100 - 5 - HB3 LYS 75 - HA TYR 81 lone 5 83 - 6 - HB2 LYS 83 - HA SER 22 lone 5 61 - 8 - 4.0/5501=3, 4.3/6057=2 HB3 LYS 75 - HA SER 22 lone 4 75 - 5 - ~5499=1 HB3 LYS 39 - HA SER 22 lone 4 63 - 6 - ~5499=2, ~5497=1 HB2 LYS 73 - HA SER 22 lone 3 84 - 4 - HB2 LYS 13 - HA TYR 81 lone 3 87 - 4 - HB2 LYS 85 - HA SER 22 lone 3 94 - 3 - HB ILE 89 - HA SER 22 lone 3 83 - 3 - HB ILE 89 - HA TYR 81 lone 2 90 - 3 - HB2 LYS 13 - HA SER 22 lone 2 79 - 3 - Peak 6060 from cnoeabs.peaks (8.19, 4.46, 58.30 ppm; 5.07 A): 3 out of 16 assignments used, quality = 0.94: H SER 22 + HA SER 22 OK 81 81 - 100 - 2.9=100 H GLU 25 + HA SER 22 OK 55 93 - 59 - 5084/3.0=24, 5085/3.0=20...(7) H SER 22 + HA TYR 81 OK 36 89 - 41 - 504=7, 3.9/1257=6...(10) H THR 15 - HA SER 22 OK 31 91 - 34 - 4.0/5500=11, 4.0/1107=8...(7) H ARG 84 - HA TYR 81 OK 27 100 - 27 - 6057=7, 4.0/6058=5...(9) H GLN 79 - HA TYR 81 OK 16 78 - 21 - ~5882=5, ~5459=5...(6) H ALA 28 - HA SER 22 OK 12 77 - 16 - 3.6/5503=3, 6057=3...(5) H GLU 25 - HA TYR 81 OK 11 99 - 11 - 4.6/5501=2, 5084/1257=2 H ARG 84 - HA SER 22 OK 10 94 - 11 - 6057=2, 4.6/5501=2...(4) H THR 15 - HA TYR 81 OK 10 97 - 10 - 4.0/5500=3, 4.0/1107=2, 10=2 H ARG 27 - HA SER 22 poor 9 83 - 12 - 3.0/5503=4, 4.6/6057=1 H ARG 27 - HA TYR 81 lone 5 90 - 5 - 3.0/5503=1 H ALA 28 - HA TYR 81 lone 4 85 - 5 - 6057=1 H ILE 89 - HA TYR 81 lone 2 81 - 3 - H GLN 79 - HA SER 22 lone 2 70 - 3 - H ILE 89 - HA SER 22 lone 2 73 - 3 - Peak 6061 from cnoeabs.peaks (4.18, 1.80, 32.58 ppm; 3.17 A): 3 out of 63 assignments used, quality = 0.94: HA LYS 73 + HB2 LYS 73 OK 76 76 - 100 - 3.0=100 HA LYS 73 + HB3 LYS 73 OK 64 64 - 100 - 3.0=100 HA ARG 84 + HB2 LYS 85 OK 30 100 - 31 - 377/4.0=8, 6062/1.8=4...(11) HA LYS 73 - HB3 LYS 75 OK 26 90 - 29 - 5431/4.6=3, 2963/2.7=2...(8) HA LYS 73 - HB2 LYS 85 OK 25 99 - 25 - 6062/1.8=4, 3.0/787=2...(6) HA ILE 89 - HB2 LYS 73 OK 20 66 - 31 - 3599=4, 3.2/3613=4...(14) HA ILE 89 - HB2 LYS 85 OK 17 92 - 18 - 6062/1.8=3, 4038/4.6=2...(7) HA ARG 84 - HB2 LYS 73 OK 16 78 - 21 - 2960=2, 3.0/3378=2...(6) HA ARG 84 - HB2 LYS 83 OK 15 81 - 19 - 3.0/843=4, 6062/1.8=3...(7) HA ILE 89 - HB3 LYS 73 OK 15 55 - 27 - 3599/1.8=4, ~3613=2...(13) HA ARG 84 - HB3 LYS 73 OK 13 66 - 20 - 2962/2.9=2, 2960/1.8=2...(6) HA LYS 73 - HB2 LYS 13 OK 11 82 - 14 - 2962/3.0=1 HA ARG 82 - HB2 LYS 83 poor 9 77 - 12 - 3.6/832=4, 6062/1.8=2, 6051=1 HA ARG 82 - HB2 LYS 73 poor 8 75 - 11 - 6051/1.8=2, 5446/2.9=1 HA ARG 84 - HB3 LYS 75 lone 8 92 - 9 - HA LYS 73 - HB3 LYS 39 poor 8 73 - 11 - HA LYS 73 - HB2 LYS 83 lone 7 78 - 9 - 6062/1.8=1, 841/4.3=1, 359/4.0=1 HA ILE 89 - HB2 LYS 13 lone 7 72 - 9 - 4038/3.9=1, 3602/3.0=1 HA ARG 82 - HB3 LYS 73 poor 7 63 - 11 - 5446/2.9=1 HA ALA 53 - HB3 LYS 39 poor 7 53 - 13 - 2295/2.9=2, 5702/4.0=2...(6) HA LEU 29 - HB2 LYS 73 poor 6 50 - 12 - 786/4.0=1 HA ALA 53 - HB2 LYS 73 poor 6 56 - 10 - 2295/2.9=2 HA ARG 82 - HB2 LYS 85 lone 6 99 - 6 - 6062/1.8=1, 3.6/832=1 HA ILE 89 - HB3 LYS 75 lone 6 80 - 7 - HA GLN 79 - HB3 LYS 75 lone 5 83 - 6 - 5431/4.6=2, 5446/2.7=1 HA LEU 29 - HB2 LYS 85 lone 5 73 - 7 - 6062/1.8=1 HA LEU 29 - HB3 LYS 73 poor 5 41 - 12 - 786/4.0=1 HA ARG 82 - HB3 LYS 39 lone 5 72 - 7 - HA ARG 84 - HB3 LYS 39 lone 5 75 - 6 - HA ALA 53 - HB3 LYS 73 lone 5 46 - 10 - 2295/2.9=2 HA LEU 29 - HB3 LYS 75 lone 4 62 - 7 - 5431/4.6=1 HA LEU 29 - HB2 LYS 13 lone 4 55 - 7 - HA GLN 79 - HB2 LYS 73 lone 4 69 - 5 - 6051/1.8=1 HA ALA 78 - HB2 LYS 73 lone 4 54 - 7 - HB THR 15 - HB2 LYS 83 lone 4 65 - 5 - 1133/3.0=1, 1132/4.3=1 HA ARG 82 - HB3 LYS 75 lone 3 89 - 4 - HA ALA 53 - HB3 LYS 75 lone 3 69 - 5 - HA ALA 78 - HB3 LYS 75 lone 3 66 - 5 - HA GLN 79 - HB2 LYS 85 lone 3 95 - 3 - HA GLN 79 - HB2 LYS 83 lone 3 72 - 4 - HA ARG 84 - HB2 LYS 13 lone 3 84 - 4 - HA ALA 78 - HB3 LYS 73 lone 3 45 - 7 - HA GLN 79 - HB3 LYS 73 lone 3 58 - 5 - HA LEU 29 - HB2 LYS 83 lone 3 52 - 6 - 841/4.3=1, 6062/1.8=1 HB THR 15 - HB2 LYS 85 lone 3 89 - 3 - HA ILE 89 - HB2 LYS 83 lone 3 69 - 4 - 3597/4.3=1 HA ARG 82 - HB2 LYS 13 lone 3 81 - 3 - HA ALA 78 - HB2 LYS 85 lone 2 78 - 3 - HA ALA 53 - HB2 LYS 85 lone 2 81 - 3 - HA ILE 89 - HB3 LYS 39 lone 2 63 - 3 - HA LEU 29 - HB3 LYS 39 lone 2 48 - 4 - HB THR 15 - HB3 LYS 75 lone 2 77 - 2 - HB THR 15 - HB2 LYS 73 lone 1 63 - 2 - HA ALA 78 - HB2 LYS 83 lone 1 56 - 2 - HA GLN 79 - HB3 LYS 39 lone 1 66 - 2 - HB THR 15 - HB3 LYS 73 lone 1 53 - 2 - HA ALA 53 - HB2 LYS 83 lone 1 58 - 2 - HB THR 15 - HB3 LYS 39 lone 1 60 - 2 - HA ALA 78 - HB3 LYS 39 lone 1 51 - 2 - HA ALA 53 - HB2 LYS 13 lone 1 61 - 1 - HA GLN 79 - HB2 LYS 13 lone 1 75 - 1 - HA ALA 78 - HB2 LYS 13 lone 1 59 - 1 - HB THR 15 - HB2 LYS 13 lone 0 69 - 1 - Peak 6062 from cnoeabs.peaks (4.18, 1.72, 32.58 ppm; 3.87 A): 8 out of 18 assignments used, quality = 0.89: HA ARG 84 + HB3 LYS 85 OK 39 99 - 40 - 377/4.0=13, 2969/1.8=3...(13) HA LYS 73 + HB3 LYS 85 OK 36 100 - 36 - 377/4.0=3, 2969/1.8=3...(13) HA ARG 84 + HB3 LYS 83 OK 27 99 - 28 - 3.0/369=6, 3.6/3443=4...(9) HA ILE 89 + HB3 LYS 85 OK 24 98 - 25 - 4038/4.6=3, 3599/1.8=3...(11) HA ARG 82 + HB3 LYS 83 OK 20 100 - 20 - 3.6/833=10, 6051/1.8=2...(6) HA LYS 73 + HB3 LYS 83 OK 14 100 - 14 - 359/4.0=2, 841/4.3=2 HA LEU 29 + HB3 LYS 85 OK 12 87 - 13 - 3.0/546=2, 3.6/81=1 HA ARG 82 + HB3 LYS 85 OK 11 100 - 11 - 3.6/3297=5 HA LEU 29 - HB3 LYS 83 poor 10 85 - 11 - 841/4.3=2, 3.0/546=2...(4) HB THR 15 - HB3 LYS 83 lone 8 95 - 8 - 1132/4.3=2, 1133/3.0=2, ~1137=1 HA ILE 89 - HB3 LYS 83 lone 7 97 - 7 - 3597/4.3=2 HA GLN 79 - HB3 LYS 83 lone 7 83 - 8 - 3.6/5995=2 HA GLN 79 - HB3 LYS 85 lone 5 85 - 6 - 3.6/5995=1 HB THR 15 - HB3 LYS 85 lone 5 97 - 5 - HA ALA 78 - HB3 LYS 85 lone 4 63 - 6 - HA ALA 53 - HB3 LYS 85 lone 4 92 - 4 - HA ALA 78 - HB3 LYS 83 lone 3 61 - 4 - HA ALA 53 - HB3 LYS 83 lone 2 91 - 3 - Peak 6065 from cnoeabs.peaks (7.46, 1.77, 30.20 ppm; 4.93 A): 3 out of 10 assignments used, quality = 0.81: HE21 GLN 61 + HB2 PRO 34 OK 42 62 - 69 - ~4655=17, 5764/3.0=17...(14) HE21 GLN 61 + HB3 LYS 32 OK 42 99 - 43 - 4667=5, 4667/1.8=5...(15) HE21 GLN 61 + HB2 LYS 32 OK 42 99 - 43 - 4667=5, 4667/1.8=5...(15) HE21 GLN 79 - HB3 ARG 82 lone 3 75 - 4 - 5.9/6051=1 HE21 GLN 61 - HB3 ARG 82 lone 2 77 - 3 - HE21 GLN 79 - HB3 LYS 32 lone 2 97 - 2 - HE21 GLN 79 - HB2 LYS 32 lone 2 97 - 2 - HE21 GLN 79 - HB2 PRO 34 lone 2 60 - 3 - HE21 GLN 61 - HB3 ARG 84 lone 1 46 - 2 - HE21 GLN 79 - HB3 ARG 84 lone 1 45 - 2 - Peak 6066 from cnoeabs.peaks (1.58, 2.91, 38.77 ppm; 5.32 A): 3 out of 13 assignments used, quality = 0.98: HB3 LEU 51 + HB3 PHE 35 OK 74 76 - 97 - 3.1/5353=38, 3.1/4865=37...(19) HD3 LYS 39 + HB3 PHE 35 OK 70 99 - 71 - ~5939=23, 5942/2.6=16...(14) HD2 LYS 39 + HB3 PHE 35 OK 70 99 - 71 - ~5939=23, 5942/2.6=16...(14) HG2 LYS 39 - HB3 PHE 35 OK 43 63 - 69 - 5939/2.6=24, ~5940=17...(16) HG3 ARG 54 - HB3 PHE 35 OK 33 100 - 34 - ~5707=12, 4659/2.6=4...(11) HB3 ARG 54 - HB3 PHE 35 OK 25 63 - 40 - ~5707=16, 5145/5353=8...(11) HG LEU 62 - HB3 PHE 35 OK 15 97 - 16 - ~4564=3, 4659/2.6=3...(5) HB3 LEU 62 - HB3 PHE 35 OK 14 96 - 15 - ~4564=3, ~4659=2...(5) HB3 LEU 86 - HB3 PHE 35 lone 8 94 - 8 - ~4564=2, 4659/2.6=1 HB3 LEU 29 - HB3 PHE 35 lone 8 100 - 8 - ~4564=1 HG LEU 86 - HB3 PHE 35 lone 7 78 - 9 - ~4564=2 HG2 ARG 84 - HB3 PHE 35 lone 3 89 - 4 - HG3 ARG 84 - HB3 PHE 35 lone 3 89 - 4 - Peak 6067 from cnoeabs.peaks (1.58, 2.85, 38.77 ppm; 5.68 A): 3 out of 22 assignments used, quality = 0.99: HB3 LEU 51 + HB2 PHE 35 OK 83 85 - 98 - ~5353=32, ~4568=31...(19) HD3 LYS 39 + HB2 PHE 35 OK 77 100 - 77 - ~5939=26, 5942/2.6=18...(14) HD2 LYS 39 + HB2 PHE 35 OK 76 100 - 77 - ~5939=26, 5942/2.6=18...(14) HB3 LEU 51 - HB3 PHE 48 OK 42 45 - 93 - 5139/2.5=30, ~4625=29...(15) HG3 ARG 54 - HB2 PHE 35 OK 35 100 - 35 - ~5707=14, 4659/2.6=4...(9) HB3 LEU 29 - HB3 PHE 48 OK 21 61 - 34 - ~4471=6, ~4463=5...(12) HG3 ARG 54 - HB3 PHE 48 OK 16 60 - 27 - ~4466=7, ~2324=4...(7) HB3 LEU 62 - HB2 PHE 35 OK 16 99 - 16 - ~4564=3, ~4659=2...(6) HG LEU 62 - HB2 PHE 35 OK 16 93 - 17 - ~4564=4, 4659/2.6=3...(8) HB3 LEU 62 - HB3 PHE 48 OK 15 58 - 26 - 4464/3.0=4, ~4679=4...(8) HG LEU 62 - HB3 PHE 48 OK 14 52 - 27 - ~4679=5, ~4467=4...(9) HG2 ARG 84 - HB3 PHE 48 OK 11 53 - 20 - 4464/3.0=3, ~2139=3...(7) HG3 ARG 84 - HB3 PHE 48 OK 11 53 - 20 - 4464/3.0=3, ~2139=3...(7) HG LEU 86 - HB3 PHE 48 poor 9 47 - 19 - ~4468=3, ~4935=3...(7) HB3 LEU 86 - HB3 PHE 48 poor 9 48 - 18 - ~4468=2, ~4935=2...(7) HB3 LEU 29 - HB2 PHE 35 lone 8 100 - 8 - ~4564=1 HG LEU 86 - HB2 PHE 35 lone 8 87 - 10 - ~4564=3 HB3 LEU 86 - HB2 PHE 35 lone 8 89 - 9 - ~4564=2, 4659/2.6=1 HD3 LYS 39 - HB3 PHE 48 poor 8 61 - 13 - 6085/4516=2, 4464/3.0=2...(6) HD2 LYS 39 - HB3 PHE 48 poor 8 60 - 13 - 6085/4516=2, 4464/3.0=2...(6) HG2 ARG 84 - HB2 PHE 35 lone 4 94 - 4 - HG3 ARG 84 - HB2 PHE 35 lone 4 94 - 4 - Peak 6068 from cnoeabs.peaks (1.21, 0.62, 23.89 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.97: HG LEU 52 + QD1 LEU 51 OK 84 97 - 87 - 2272/4.6=20, ~4952=13...(28) HG13 ILE 40 + QD1 LEU 51 OK 61 71 - 87 - ~5173=29, ~4301=26...(11) QG2 VAL 65 + QD1 LEU 51 OK 53 99 - 54 - ~6104=26, 668/4.6=10...(12) HG13 ILE 33 - QD1 LEU 51 OK 44 95 - 46 - 3.9/2245=9, 1673/4.0=6...(12) QG1 VAL 65 - QD1 LEU 51 OK 36 68 - 53 - 6104/2.1=24...(11) QG2 THR 15 - QD1 LEU 51 lone 4 92 - 4 - 668/4.6=2 Peak 6069 from cnoeabs.peaks (1.00, 3.92, 57.93 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.75: QD1 LEU 57 + HA LEU 62 OK 75 100 - 75 - 4608=23, 2.1/6070=11...(25) QG1 VAL 45 - HA LEU 62 lone 7 97 - 7 - 4.0/4675=1, 2462/6070=1 Peak 6070 from cnoeabs.peaks (0.72, 3.92, 57.93 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 57 + HA LEU 62 OK 90 97 - 93 - 2.1/6069=45, 4673/3.0=23...(27) QD1 ILE 33 + HA LEU 62 OK 56 92 - 61 - 4673/3.0=17, 4503/4.7=11...(15) Peak 6071 from cnoeabs.peaks (0.79, 4.26, 57.87 ppm; 4.77 A): 4 out of 4 assignments used, quality = 0.84: QG1 VAL 41 + HA LEU 64 OK 51 100 - 52 - 4334=10, 2.1/4337=9...(13) QD1 ILE 68 + HA LEU 64 OK 45 96 - 48 - 5.0/6135=14, 4759/4.3=12...(6) QG2 ILE 68 + HA LEU 64 OK 32 90 - 36 - 4.0/6135=17, ~5251=5...(6) QD1 ILE 89 + HA LEU 64 OK 13 87 - 15 - 3.1/2617=3, 3635/3.9=2...(6) Peak 6072 from cnoeabs.peaks (7.16, 3.98, 60.19 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.68: QE PHE 48 + HA ARG 66 OK 68 99 - 68 - 5966/4.1=25, 4604=19...(13) Peak 6073 from cnoeabs.peaks (3.58, 2.03, 42.48 ppm; 5.03 A): 3 out of 4 assignments used, quality = 0.95: HA VAL 41 + HD2 ARG 69 OK 73 100 - 74 - 5253/3.0=26, 5254/3.0=18...(15) HA VAL 41 + HD3 ARG 69 OK 73 100 - 74 - 5253/3.0=26, 5254/3.0=18...(15) HD3 PRO 36 + HD2 ARG 69 OK 28 98 - 29 - 5253/3.0=12, 5254/3.0=8...(6) HD3 PRO 36 - HD3 ARG 69 OK 28 98 - 29 - 5253/3.0=12, 5254/3.0=8...(6) Peak 6075 from cnoeabs.peaks (2.95, 1.77, 30.20 ppm; 5.45 A): 9 out of 60 assignments used, quality = 1.00: HE2 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.6=100 HE2 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 4.6=100 HE3 LYS 32 + HB3 LYS 32 OK 100 100 - 100 - 4.6=100 HE3 LYS 32 + HB2 LYS 32 OK 100 100 - 100 - 4.6=100 HE3 LYS 73 + HB2 LYS 32 OK 71 100 - 72 - 1602/2.9=5, 1592/2.9=5...(35) HE3 LYS 73 + HB3 LYS 32 OK 71 100 - 72 - 1602/2.9=5, 1592/2.9=5...(35) HE2 LYS 73 + HB3 LYS 32 OK 71 100 - 72 - 1602/2.9=5, 1592/2.9=5...(35) HE2 LYS 73 + HB2 LYS 32 OK 71 100 - 72 - 1602/2.9=5, 1592/2.9=5...(35) HB3 TYR 55 + HB2 PRO 34 OK 49 55 - 89 - ~4246=30, ~5565=29...(21) HB3 TYR 55 - HB3 LYS 32 OK 33 93 - 36 - ~4247=5, ~4662=4...(14) HB3 TYR 55 - HB2 LYS 32 OK 33 93 - 36 - ~4247=5, ~4662=4...(14) HE3 LYS 75 - HB2 LYS 32 OK 33 99 - 33 - 1593/2.9=2, 1603/2.9=2...(10) HE3 LYS 75 - HB3 LYS 32 OK 33 99 - 33 - 1593/2.9=2, 1603/2.9=2...(10) HE2 LYS 75 - HB3 LYS 32 OK 33 99 - 33 - 1593/2.9=2, 1603/2.9=2...(10) HE2 LYS 75 - HB2 LYS 32 OK 33 99 - 33 - 1593/2.9=2, 1603/2.9=2...(10) HE2 LYS 39 - HB3 LYS 32 OK 26 73 - 36 - 3.6/1865=2, 3.6/1875=2...(9) HE2 LYS 39 - HB2 LYS 32 OK 26 73 - 36 - 3.6/1865=2, 3.6/1875=2...(9) HE3 LYS 39 - HB2 LYS 32 OK 25 68 - 36 - 3.6/1865=2, 3.6/1875=2...(11) HE3 LYS 39 - HB3 LYS 32 OK 25 68 - 36 - 3.6/1865=2, 3.6/1875=2...(11) HE2 LYS 32 - HB2 PRO 34 OK 22 65 - 34 - 4863/2.3=4, 5567/2.3=4...(9) HE3 LYS 32 - HB2 PRO 34 OK 22 65 - 34 - 4863/2.3=4, 5567/2.3=4...(10) HE3 LYS 13 - HB2 LYS 32 OK 22 95 - 22 - 1593/2.9=1, 1603/2.9=1...(7) HE3 LYS 13 - HB3 LYS 32 OK 22 95 - 22 - 1593/2.9=1, 1603/2.9=1...(7) HE2 LYS 13 - HB3 LYS 32 OK 21 93 - 22 - 1593/2.9=1, 1603/2.9=1...(7) HE2 LYS 13 - HB2 LYS 32 OK 21 93 - 22 - 1593/2.9=1, 1603/2.9=1...(7) HB3 TYR 81 - HB3 ARG 82 OK 18 48 - 37 - ~5868=10, ~4675=8...(7) HE2 LYS 39 - HB2 PRO 34 poor 10 40 - 25 - 3.6/1865=3, ~5209=3...(7) HE3 LYS 73 - HB2 PRO 34 poor 9 65 - 14 - 4863/2.3=2, 5567/2.3=2...(4) HE2 LYS 73 - HB2 PRO 34 poor 9 65 - 14 - 4863/2.3=2, 5567/2.3=2...(4) HE3 LYS 39 - HB2 PRO 34 poor 9 37 - 25 - 3.6/1865=3, ~5209=3...(7) HE2 LYS 73 - HB3 ARG 84 poor 7 49 - 15 - ~3380=1, ~3379=1...(4) HE3 LYS 73 - HB3 ARG 84 poor 7 49 - 15 - ~3380=1, ~3379=1...(4) HB3 TYR 81 - HB3 LYS 32 lone 7 68 - 10 - 4.1/5476=2, 2.5/4683=2, ~4683=1 HB3 TYR 81 - HB2 LYS 32 lone 7 68 - 10 - 4.1/5476=2, 2.5/4683=2, ~4683=1 HE3 LYS 73 - HB3 ARG 82 lone 6 80 - 8 - HE2 LYS 73 - HB3 ARG 82 lone 6 80 - 8 - HE3 LYS 75 - HB2 PRO 34 lone 5 62 - 9 - HB3 TYR 55 - HB3 ARG 82 lone 5 70 - 8 - HE2 LYS 75 - HB2 PRO 34 lone 5 62 - 9 - HB3 TYR 81 - HB2 PRO 34 poor 5 37 - 13 - 2.5/4683=4, ~4683=2...(5) HE2 LYS 32 - HB3 ARG 82 lone 5 80 - 6 - HE3 LYS 32 - HB3 ARG 82 lone 5 80 - 6 - HE2 LYS 39 - HB3 ARG 82 lone 5 52 - 9 - 3.6/1865=1 HE2 LYS 32 - HB3 ARG 84 lone 4 49 - 9 - HE3 LYS 32 - HB3 ARG 84 lone 4 49 - 9 - HE3 LYS 13 - HB2 PRO 34 lone 4 57 - 7 - HB3 TYR 81 - HB3 ARG 84 poor 4 27 - 16 - ~5458=3, 5459/3.0=3...(5) HE2 LYS 13 - HB2 PRO 34 lone 4 55 - 7 - HE3 LYS 39 - HB3 ARG 82 lone 4 48 - 8 - 3.6/1865=1 HE3 LYS 75 - HB3 ARG 82 lone 4 78 - 5 - HE2 LYS 75 - HB3 ARG 82 lone 4 77 - 5 - HE3 LYS 13 - HB3 ARG 82 lone 3 71 - 4 - HE2 LYS 13 - HB3 ARG 82 lone 3 70 - 4 - HE3 LYS 75 - HB3 ARG 84 lone 3 47 - 6 - HE2 LYS 75 - HB3 ARG 84 lone 3 46 - 6 - HE2 LYS 39 - HB3 ARG 84 lone 2 29 - 8 - HE3 LYS 39 - HB3 ARG 84 lone 2 27 - 8 - HE3 LYS 13 - HB3 ARG 84 lone 2 42 - 4 - HE2 LYS 13 - HB3 ARG 84 lone 2 41 - 4 - HB3 TYR 55 - HB3 ARG 84 lone 2 41 - 4 - ~5950=1 Peak 6080 from cnoeabs.peaks (6.84, 2.91, 38.77 ppm; 5.70 A): 3 out of 4 assignments used, quality = 0.76: QE TYR 55 + HB3 PHE 35 OK 61 71 - 87 - ~4601=38, ~4629=38...(15) HE22 GLN 61 + HB3 PHE 35 OK 27 98 - 28 - 4655/4.8=10, 5763/4.8=7...(7) HD21 ASN 49 + HB3 PHE 35 OK 13 71 - 18 - 5.3/647=3, 4.4/2163=2...(9) HE22 GLN 79 - HB3 PHE 35 lone 3 78 - 4 - Peak 6081 from cnoeabs.peaks (7.52, 4.25, 57.41 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.78: H LEU 43 + HA LYS 39 OK 52 99 - 53 - 4.6/5790=17, 4371=15...(7) H ARG 54 + HA LYS 39 OK 38 89 - 43 - 207/3.6=8, 209/4.1=6...(15) H LEU 51 + HA LYS 39 OK 25 87 - 29 - 4943/3.6=8, 4.6/5790=6...(8) Peak 6082 from cnoeabs.peaks (7.62, 4.25, 57.41 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.92: H VAL 41 + HA LYS 39 OK 76 99 - 77 - 5632/3.0=31, 137/3.6=27...(12) HD21 ASN 42 + HA LYS 39 OK 62 100 - 63 - 3.5/5202=13, 5.7/5790=13...(10) HD21 ASN 74 + HA LYS 39 OK 14 98 - 14 - 915/3.6=4, 5593/3.0=3 Peak 6085 from cnoeabs.peaks (0.17, 1.58, 28.78 ppm; 5.06 A): 5 out of 5 assignments used, quality = 0.94: QD2 LEU 51 + HD3 LYS 39 OK 69 81 - 85 - 6087/3.0=25, 2.1/6086=14...(31) QD2 LEU 51 + HD2 LYS 39 OK 68 81 - 85 - 6087/3.0=25, 2.1/6086=14...(30) QD2 LEU 51 + HD2 LYS 32 OK 22 44 - 50 - 2.1/6086=5, 2239/3.0=4...(28) QD2 LEU 51 + HD3 LYS 73 OK 14 44 - 31 - 5205/3.5=4, ~5255=3...(13) QD2 LEU 51 + HD2 LYS 73 OK 14 44 - 31 - 5205/3.5=4, ~5255=3...(13) Peak 6086 from cnoeabs.peaks (0.65, 1.58, 28.78 ppm; 5.15 A): 5 out of 5 assignments used, quality = 0.94: QD1 LEU 51 + HD3 LYS 39 OK 68 81 - 84 - ~6087=22, 2.1/6085=15...(29) QD1 LEU 51 + HD2 LYS 39 OK 67 81 - 84 - ~6087=22, 2.1/6085=15...(28) QD1 LEU 51 + HD2 LYS 32 OK 23 44 - 53 - 2.1/6085=5, 2246/3.0=4...(29) QD1 LEU 51 + HD3 LYS 73 OK 14 44 - 31 - 2.1/6085=3, ~5255=3...(14) QD1 LEU 51 + HD2 LYS 73 OK 14 44 - 31 - 2.1/6085=3, ~5255=3...(14) Peak 6087 from cnoeabs.peaks (0.18, 1.55, 25.35 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 51 + HG2 LYS 39 OK 92 99 - 93 - 5204/2.9=25, 5205/2.9=21...(32) Peak 6088 from cnoeabs.peaks (0.64, 2.98, 41.78 ppm; 4.61 A): 6 out of 10 assignments used, quality = 0.86: QD1 LEU 51 + HE2 LYS 39 OK 50 89 - 57 - 6086/3.0=10, 6086/3.0=10...(12) QD1 LEU 51 + HE3 LYS 39 OK 50 88 - 57 - 6086/3.0=10, 6086/3.0=10...(12) QD1 LEU 51 + HE3 LYS 32 OK 15 61 - 25 - 6086/3.0=3, 2246/3.9=3...(8) QD1 LEU 51 + HE2 LYS 32 OK 14 59 - 25 - 6086/3.0=3, 2246/3.9=3...(8) QD1 LEU 51 + HE2 LYS 75 OK 13 75 - 18 - 6094/3.5=3, 6094/3.5=3...(6) QD1 LEU 51 + HE3 LYS 75 OK 13 73 - 18 - 6094/3.5=3, 6094/3.5=3...(6) QD1 LEU 51 - HE2 LYS 73 poor 9 59 - 15 - 6094/3.7=2, 6086/3.0=2...(4) QD1 LEU 51 - HE3 LYS 73 poor 9 57 - 15 - 6094/3.7=2, 6086/3.0=2...(4) QD1 LEU 51 - HE2 LYS 13 lone 5 80 - 7 - 2.1/4948=1 QD1 LEU 51 - HE3 LYS 13 lone 5 79 - 7 - 2.1/4948=1, ~4948=1 Peak 6089 from cnoeabs.peaks (3.56, 2.98, 41.78 ppm; 4.30 A): 10 out of 30 assignments used, quality = 0.91: HD3 PRO 36 + HE2 LYS 39 OK 49 99 - 50 - 5208/3.6=14, 5207/3.6=9...(14) HD3 PRO 36 + HE3 LYS 39 OK 49 99 - 50 - 5208/3.6=14, 5207/3.6=9...(14) HA VAL 41 + HE3 LYS 39 OK 15 87 - 17 - 5208/3.6=6, 5207/3.6=4...(6) HA VAL 41 + HE2 LYS 39 OK 15 87 - 17 - 5208/3.6=6, 5207/3.6=4...(6) HD3 PRO 34 + HE3 LYS 39 OK 14 83 - 17 - 5207/3.6=4, 5209/3.0=3...(4) HD3 PRO 34 + HE2 LYS 39 OK 14 83 - 17 - 5207/3.6=4, 5209/3.0=3...(4) HA VAL 41 + HE2 LYS 73 OK 11 53 - 22 - ~4345=4, 4341/3.7=3...(6) HA VAL 41 + HE3 LYS 73 OK 11 50 - 22 - ~4345=4, 4341/3.7=3...(6) HA VAL 41 + HE2 LYS 75 OK 11 70 - 16 - 4341/3.5=2, 4341/3.5=2...(8) HA VAL 41 + HE3 LYS 75 OK 10 68 - 16 - 4341/3.5=2, 4341/3.5=2...(8) HD3 PRO 34 - HE3 LYS 32 poor 10 52 - 19 - ~4863=2, ~5567=2...(5) HD3 PRO 34 - HE2 LYS 32 poor 9 50 - 19 - ~4863=2, ~5567=2...(5) HD3 PRO 36 - HE2 LYS 75 lone 8 85 - 9 - ~4876=1, 2.3/4873=1, 2.3/4873=1 HD3 PRO 36 - HE3 LYS 75 lone 7 83 - 9 - ~4876=1, 2.3/4873=1, 2.3/4873=1 HA VAL 41 - HE3 LYS 32 lone 4 55 - 8 - ~4345=1, 3.2/6091=1, ~6091=1 HA VAL 41 - HE2 LYS 32 lone 4 53 - 8 - ~4345=1, 3.2/6091=1, ~6091=1 HD3 PRO 34 - HE2 LYS 73 lone 4 50 - 7 - HD3 PRO 34 - HE3 LYS 73 lone 3 47 - 7 - HD3 PRO 36 - HE2 LYS 13 lone 3 91 - 3 - HD3 PRO 36 - HE3 LYS 13 lone 3 89 - 3 - HD3 PRO 36 - HE2 LYS 73 lone 3 66 - 4 - HA VAL 41 - HE2 LYS 13 lone 3 76 - 4 - HD3 PRO 36 - HE3 LYS 73 lone 3 64 - 4 - HA VAL 41 - HE3 LYS 13 lone 3 74 - 4 - HD3 PRO 34 - HE2 LYS 75 lone 3 66 - 4 - HD3 PRO 36 - HE3 LYS 32 lone 3 69 - 4 - HD3 PRO 34 - HE3 LYS 75 lone 3 64 - 4 - HD3 PRO 36 - HE2 LYS 32 lone 3 66 - 4 - HD3 PRO 34 - HE2 LYS 13 lone 2 71 - 3 - HD3 PRO 34 - HE3 LYS 13 lone 2 70 - 3 - Peak 6090 from cnoeabs.peaks (4.22, 2.98, 41.78 ppm; 4.29 A): 5 out of 90 assignments used, quality = 0.94: HA LYS 39 + HE3 LYS 39 OK 47 68 - 69 - 6.2=34, 1836/3.6=8...(20) HA LYS 39 + HE2 LYS 39 OK 47 68 - 69 - 6.2=34, 1836/3.6=8...(20) HA LYS 75 + HE2 LYS 75 OK 47 66 - 71 - 6.4=30, 3072/2.9=8...(31) HA LYS 75 + HE3 LYS 75 OK 45 64 - 71 - 6.4=30, 3073/2.9=8...(31) HA LYS 75 + HE3 LYS 39 OK 31 83 - 38 - 3068/4.7=4, 3071/3.6=3...(13) HA LYS 75 - HE2 LYS 39 OK 31 83 - 38 - 3068/4.7=4, 3071/3.6=3...(13) HA LYS 75 - HE2 LYS 13 OK 29 71 - 40 - 3073/2.9=4, 3072/2.9=4...(13) HA LYS 75 - HE3 LYS 13 OK 28 70 - 40 - 3073/2.9=4, 3072/2.9=4...(13) HA LYS 39 - HE2 LYS 75 OK 27 53 - 52 - 1837/3.5=4, 1837/3.5=4...(22) HA LYS 39 - HE3 LYS 75 OK 26 51 - 52 - 1837/3.5=4, 1837/3.5=4...(22) HA LYS 85 - HE2 LYS 75 OK 21 86 - 25 - 3427/3.5=2, 3427/3.5=2...(5) HA LYS 85 - HE3 LYS 75 OK 21 84 - 25 - 3427/3.5=2, 3427/3.5=2...(5) HA LYS 39 - HE2 LYS 13 OK 17 58 - 29 - 4.1/1871=2, 4.1/1881=2...(9) HA LYS 39 - HE3 LYS 13 OK 16 57 - 29 - 4.1/1871=2, 4.1/1881=2...(8) HA LYS 75 - HE2 LYS 73 OK 16 50 - 33 - 3068/4.7=3, 3071/3.7=3...(6) HA LYS 75 - HE3 LYS 73 OK 15 47 - 33 - 3068/4.7=3, 3071/3.7=3...(6) HA LYS 85 - HE2 LYS 13 OK 13 91 - 14 - 3428/3.8=2, 4015/6.7=1 HA LYS 85 - HE3 LYS 13 OK 13 90 - 14 - 3428/3.8=2, 4015/6.7=1 HA LYS 85 - HE2 LYS 73 OK 11 67 - 17 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 85 - HE3 LYS 73 OK 11 64 - 17 - 3428/3.7=2, 3427/3.7=2...(4) HA LYS 39 - HE2 LYS 73 OK 10 39 - 27 - 1837/3.7=2, 4.1/1870=1...(6) HA LYS 39 - HE3 LYS 73 OK 10 37 - 27 - 1837/3.7=2, 4.1/1870=1...(6) HA LYS 75 - HE3 LYS 32 poor 8 52 - 16 - HA LYS 39 - HE3 LYS 32 poor 8 41 - 20 - 4.1/1870=1, 4.1/1880=1 HA LYS 75 - HE2 LYS 32 poor 8 50 - 16 - HA LYS 39 - HE2 LYS 32 poor 8 39 - 20 - 4.1/1870=1, 4.1/1880=1 HA LYS 83 - HE2 LYS 75 poor 7 68 - 10 - HA LYS 83 - HE3 LYS 75 poor 7 66 - 10 - HA LYS 85 - HE3 LYS 39 lone 6 100 - 6 - HA LYS 85 - HE2 LYS 39 lone 6 100 - 6 - HA ALA 77 - HE2 LYS 75 lone 6 83 - 7 - HA ALA 77 - HE3 LYS 75 lone 6 81 - 7 - HA LYS 83 - HE3 LYS 39 lone 6 85 - 6 - ~5896=1 HA LYS 83 - HE2 LYS 39 lone 5 85 - 6 - ~5896=1 HA ALA 78 - HE2 LYS 75 lone 5 70 - 7 - 6049=1, 6049/1.8=1 HA ALA 78 - HE3 LYS 75 lone 4 68 - 6 - 6049=1, 6049/1.8=1 HA LYS 83 - HE2 LYS 73 lone 4 51 - 8 - ~5896=1 HA LYS 83 - HE2 LYS 13 lone 4 74 - 5 - HA LYS 83 - HE3 LYS 73 lone 4 49 - 8 - ~5896=1 HA LYS 83 - HE3 LYS 13 lone 4 72 - 5 - HA ALA 78 - HE3 LYS 39 lone 4 87 - 4 - HA ALA 78 - HE2 LYS 39 lone 4 87 - 4 - HB THR 37 - HE2 LYS 39 lone 3 100 - 3 - HB THR 37 - HE3 LYS 39 lone 3 100 - 3 - HA LYS 85 - HE3 LYS 32 lone 3 70 - 4 - HA LYS 85 - HE2 LYS 32 lone 3 67 - 4 - HA ALA 78 - HE2 LYS 73 lone 3 53 - 5 - 6049=1 HA ALA 77 - HE3 LYS 39 lone 3 98 - 3 - HA ALA 77 - HE2 LYS 39 lone 3 98 - 3 - HA ALA 78 - HE3 LYS 73 lone 3 50 - 5 - 6049=1 HA GLN 79 - HE2 LYS 75 lone 2 50 - 5 - 5446/3.5=1, 5446/3.5=1 HA GLN 79 - HE3 LYS 75 lone 2 49 - 5 - 5446/3.5=1, 5446/3.5=1 HA ALA 78 - HE2 LYS 13 lone 2 76 - 3 - HA ALA 77 - HE2 LYS 13 lone 2 88 - 2 - HA ALA 78 - HE3 LYS 13 lone 2 74 - 3 - HA ALA 77 - HE3 LYS 13 lone 2 87 - 2 - HA ALA 77 - HE2 LYS 73 lone 2 64 - 3 - HA ALA 77 - HE3 LYS 73 lone 2 61 - 3 - HB THR 37 - HE2 LYS 75 lone 2 87 - 2 - HB THR 37 - HE3 LYS 75 lone 2 85 - 2 - HA LYS 83 - HE3 LYS 32 lone 2 53 - 3 - HA LYS 83 - HE2 LYS 32 lone 2 51 - 3 - HB THR 37 - HE2 LYS 13 lone 1 92 - 1 - HB THR 37 - HE3 LYS 13 lone 1 91 - 1 - HA THR 15 - HE3 LYS 39 lone 1 78 - 2 - HA THR 15 - HE2 LYS 39 lone 1 78 - 2 - HB THR 37 - HE2 LYS 73 lone 1 68 - 2 - HA GLN 79 - HE3 LYS 39 lone 1 65 - 2 - HA GLN 79 - HE2 LYS 39 lone 1 65 - 2 - HB THR 37 - HE3 LYS 73 lone 1 65 - 2 - HA ALA 78 - HE3 LYS 32 lone 1 55 - 2 - HA ALA 78 - HE2 LYS 32 lone 1 53 - 2 - HA GLN 79 - HE2 LYS 73 lone 1 37 - 3 - HA GLN 79 - HE3 LYS 73 lone 1 36 - 3 - HA ALA 77 - HE3 LYS 32 lone 1 67 - 2 - HA ALA 77 - HE2 LYS 32 lone 1 64 - 2 - HA THR 15 - HE2 LYS 75 lone 1 62 - 2 - HA THR 15 - HE3 LYS 75 lone 1 60 - 2 - HB THR 37 - HE3 LYS 32 lone 1 71 - 1 - HA THR 15 - HE2 LYS 13 lone 1 67 - 1 - HB THR 37 - HE2 LYS 32 lone 1 68 - 1 - HA THR 15 - HE3 LYS 13 lone 1 66 - 1 - HA THR 15 - HE2 LYS 73 lone 1 46 - 2 - HA THR 15 - HE3 LYS 73 lone 1 44 - 2 - HA GLN 79 - HE2 LYS 13 lone 1 55 - 1 - HA GLN 79 - HE3 LYS 13 lone 1 54 - 1 - HA GLN 79 - HE3 LYS 32 lone 1 39 - 1 - HA GLN 79 - HE2 LYS 32 lone 1 37 - 1 - HA THR 15 - HE3 LYS 32 lone 1 48 - 1 - HA THR 15 - HE2 LYS 32 lone 0 46 - 1 - Peak 6091 from cnoeabs.peaks (2.96, 0.80, 21.38 ppm; 5.62 A): 4 out of 12 assignments used, quality = 0.95: HE2 LYS 73 + QG1 VAL 41 OK 68 100 - 68 - 3.7/4904=23, 3.0/4345=12...(15) HE3 LYS 73 + QG1 VAL 41 OK 67 99 - 68 - 3.7/4904=23, 3.0/4345=12...(15) HE3 LYS 75 + QG1 VAL 41 OK 32 100 - 32 - 6092/2.1=5, 3.5/4344=4...(12) HE2 LYS 75 + QG1 VAL 41 OK 32 100 - 32 - 6092/2.1=5, 3.5/4344=4...(12) HE2 LYS 39 - QG1 VAL 41 OK 25 85 - 29 - 6.2/4334=5, 4.7/4346=5...(9) HE3 LYS 32 - QG1 VAL 41 OK 24 100 - 24 - 3.0/4345=4, 3.0/4345=4...(8) HE2 LYS 32 - QG1 VAL 41 OK 24 100 - 24 - 3.0/4345=4, 3.0/4345=4...(8) HE3 LYS 39 - QG1 VAL 41 OK 24 81 - 29 - 6.2/4334=5, 4.7/4346=5...(9) HB3 TYR 55 - QG1 VAL 41 OK 18 85 - 21 - 4588/2.1=6, 6092/2.1=3...(6) HE3 LYS 13 - QG1 VAL 41 lone 10 99 - 10 - 3.8/4904=2, 6092/2.1=1 HE2 LYS 13 - QG1 VAL 41 lone 10 98 - 10 - 3.8/4904=2, 6092/2.1=1 HB3 TYR 81 - QG1 VAL 41 lone 3 81 - 3 - Peak 6092 from cnoeabs.peaks (2.95, 0.94, 22.13 ppm; 5.30 A): 6 out of 12 assignments used, quality = 0.92: HE2 LYS 73 + QG2 VAL 41 OK 47 100 - 47 - 6.1/5625=9, ~4345=8...(15) HE3 LYS 73 + QG2 VAL 41 OK 47 100 - 47 - 6.1/5625=9, ~4345=8...(15) HE3 LYS 75 + QG2 VAL 41 OK 32 99 - 32 - 3.5/4347=4, 3.5/4347=4...(16) HE2 LYS 75 + QG2 VAL 41 OK 32 99 - 32 - 3.5/4347=4, 3.5/4347=4...(16) HE2 LYS 39 + QG2 VAL 41 OK 24 76 - 31 - 3.6/4896=6, 6.2/4337=6...(13) HE3 LYS 39 + QG2 VAL 41 OK 22 71 - 31 - 3.6/4896=6, 6.2/4337=6...(13) HB3 TYR 55 - QG2 VAL 41 OK 18 92 - 19 - 4588/2.1=6, ~4584=2...(6) HE2 LYS 32 - QG2 VAL 41 OK 16 100 - 16 - 6091/2.1=3, ~4345=3...(5) HE3 LYS 32 - QG2 VAL 41 OK 16 100 - 16 - 6091/2.1=3, ~4345=3...(5) HE3 LYS 13 - QG2 VAL 41 lone 8 96 - 8 - 6091/2.1=1 HE2 LYS 13 - QG2 VAL 41 lone 7 95 - 8 - 6091/2.1=1 HB3 TYR 81 - QG2 VAL 41 lone 2 71 - 3 - Peak 6093 from cnoeabs.peaks (1.54, 0.62, 23.89 ppm; 4.05 A): 2 out of 7 assignments used, quality = 0.98: HB3 ARG 54 + QD1 LEU 51 OK 91 100 - 91 - 5145=19, 1.8/5144=19...(36) HG2 LYS 39 + QD1 LEU 51 OK 80 100 - 80 - 6087/2.1=20, ~5204=11...(28) HG LEU 62 - QD1 LEU 51 OK 35 81 - 44 - 2.1/2248=6, ~5004=4...(20) HB3 LEU 86 - QD1 LEU 51 OK 33 87 - 38 - 3.1/2248=5, ~4520=3...(16) HG LEU 64 - QD1 LEU 51 OK 21 100 - 21 - 4.8/3861=4, ~4520=3...(6) HG2 ARG 82 - QD1 LEU 51 lone 4 89 - 5 - HG3 ARG 23 - QD1 LEU 51 lone 4 100 - 4 - Peak 6094 from cnoeabs.peaks (1.40, 0.62, 23.89 ppm; 5.45 A): 2 out of 12 assignments used, quality = 0.96: HG3 LYS 39 + QD1 LEU 51 OK 92 100 - 92 - ~6087=31, ~5204=21...(33) QB ALA 53 + QD1 LEU 51 OK 53 99 - 53 - 3.6/2244=15, 3869/4.5=10...(9) HG2 LYS 75 - QD1 LEU 51 OK 43 97 - 44 - 2.7/5203=8, ~5204=7...(13) HG3 LYS 75 - QD1 LEU 51 OK 43 97 - 44 - 2.7/5203=8, ~5204=7...(13) HG3 LYS 73 - QD1 LEU 51 OK 34 96 - 36 - ~5205=4, ~5255=4...(13) HB3 ARG 69 - QD1 LEU 51 OK 17 100 - 17 - ~5680=4, 4302/5175=3...(5) HG2 LYS 13 - QD1 LEU 51 poor 10 73 - 13 - ~5205=2 HG3 ARG 69 - QD1 LEU 51 poor 9 76 - 12 - 3.0/4949=2, 3.0/4949=2 QB ALA 78 - QD1 LEU 51 lone 6 96 - 6 - 4685/5686=1 HG2 LYS 85 - QD1 LEU 51 lone 5 78 - 7 - QB ALA 77 - QD1 LEU 51 lone 3 73 - 4 - QB ALA 20 - QD1 LEU 51 lone 2 78 - 3 - Peak 6095 from cnoeabs.peaks (7.15, 0.19, 24.73 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.92: QE PHE 48 + QD2 LEU 51 OK 92 100 - 92 - 2.2/4625=44, 5.6/4470=24...(22) Peak 6096 from cnoeabs.peaks (6.65, 0.51, 22.90 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.91: QD PHE 35 + QD2 LEU 52 OK 91 100 - 91 - 2.2/4581=49, ~4582=33...(15) Peak 6097 from cnoeabs.peaks (0.98, 1.33, 40.92 ppm; 6.21 A): 3 out of 6 assignments used, quality = 0.96: QD1 LEU 57 + HB2 LEU 52 OK 85 87 - 98 - 4613/3.1=43, 5154/3.1=37...(22) QD1 LEU 64 + HB2 LEU 52 OK 48 76 - 64 - 4552/3.0=15, 2.1/5162=13...(12) QG1 VAL 45 + HB2 LEU 52 OK 45 99 - 45 - 6098/1.8=12, 5362/3.1=12...(7) QD1 LEU 57 - HB2 LEU 51 OK 26 47 - 55 - ~4606=8, 2.1/5750=7...(20) QD1 LEU 64 - HB2 LEU 51 OK 13 39 - 34 - 2647/4.6=8, 2.1/5162=6...(8) QG1 VAL 45 - HB2 LEU 51 poor 8 58 - 14 - 5177/3.1=2, 5362/2263=2...(6) Peak 6098 from cnoeabs.peaks (0.99, 1.47, 40.92 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 57 + HB3 LEU 52 OK 97 99 - 98 - 4613/3.1=47, 4607/3.0=39...(24) QG1 VAL 45 - HB3 LEU 52 OK 39 100 - 39 - 4551/3.0=10, 5362/3.1=10...(8) Peak 6099 from cnoeabs.peaks (7.96, 4.04, 60.18 ppm; 4.66 A): 4 out of 8 assignments used, quality = 0.72: H ALA 63 + HA GLU 59 OK 51 90 - 56 - 4.6/4645=20, 4.6/4637=15...(10) H LEU 29 + HA GLU 59 OK 27 97 - 27 - 4.8/4639=6, 4.0/4638=5...(7) H ALA 30 + HA GLU 59 OK 15 81 - 18 - 4.6/4638=4, 4.6/4637=4...(5) H LYS 32 + HA GLU 59 OK 10 81 - 13 - 3.6/4991=5, 90/4991=1 H VAL 76 - HA GLU 59 lone 7 100 - 6 - 3.9/5364=1, 3.9/5364=1 H ARG 70 - HA GLU 59 lone 6 98 - 6 - H ARG 69 - HA GLU 59 lone 5 81 - 7 - 5.0/5364=1 H GLY 72 - HA GLU 59 lone 3 60 - 5 - Peak 6100 from cnoeabs.peaks (4.77, 2.53, 30.35 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.93: HA LEU 57 + HB2 GLN 61 OK 77 97 - 79 - 3.6/4653=34, 6101/1.8=20...(9) HB THR 58 + HB2 GLN 61 OK 70 96 - 73 - 4.1/4653=31, 2.1/4627=20...(12) Peak 6101 from cnoeabs.peaks (4.78, 1.66, 30.35 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.91: HA LEU 57 + HB3 GLN 61 OK 74 93 - 79 - 3.6/4654=33, 6100/1.8=22...(9) HB THR 58 + HB3 GLN 61 OK 67 90 - 74 - 4.1/4654=30, 6100/1.8=20...(10) Peak 6102 from cnoeabs.peaks (1.92, 0.95, 23.35 ppm; 3.40 A): 6 out of 9 assignments used, quality = 0.87: HB2 MET 31 + QD1 LEU 64 OK 43 93 - 46 - 6121/2.1=9, 3.0/5310=7...(14) HG13 ILE 68 + QD1 LEU 64 OK 35 100 - 35 - 4.5/6134=7, ~5242=7...(9) HB3 ARG 66 + QD1 LEU 64 OK 32 83 - 39 - 4.6/4741=5, 6103/2.1=5...(15) HB VAL 41 + QD1 LEU 64 OK 24 99 - 25 - 6103/2.1=4, ~5242=3...(10) HB ILE 68 + QD1 LEU 64 OK 19 71 - 28 - 3.9/6134=8, ~5242=5...(8) HG12 ILE 40 + QD1 LEU 64 OK 17 89 - 19 - 6103/2.1=3, ~5030=2...(6) HB2 GLU 19 - QD1 LEU 64 lone 8 96 - 8 - 4.6/6134=2, 3.0/2648=1 HB3 GLU 87 - QD1 LEU 64 lone 5 93 - 5 - 4.0/6134=3 HB2 GLN 91 - QD1 LEU 64 lone 1 71 - 1 - Peak 6103 from cnoeabs.peaks (1.92, 0.84, 25.67 ppm; 3.55 A): 6 out of 9 assignments used, quality = 0.86: HB2 MET 31 + QD2 LEU 64 OK 50 87 - 57 - 6121=13, 3.0/5021=12...(14) HG13 ILE 68 + QD2 LEU 64 OK 30 99 - 30 - ~5242=8, ~4759=7...(6) HB3 ARG 66 + QD2 LEU 64 OK 27 73 - 37 - 6102/2.1=6, 1.8/5028=4...(14) HB VAL 41 + QD2 LEU 64 OK 22 96 - 23 - 6102/2.1=5, ~5242=4...(8) HG12 ILE 40 + QD2 LEU 64 OK 19 95 - 20 - 1.8/5030=3, 6102/2.1=3...(6) HB ILE 68 + QD2 LEU 64 OK 18 81 - 22 - ~5242=5, ~4759=5...(6) HB2 GLU 19 - QD2 LEU 64 lone 6 99 - 6 - 6102/2.1=1 HB3 GLU 87 - QD2 LEU 64 lone 4 97 - 4 - 4.0/5919=2 HB2 GLN 91 - QD2 LEU 64 lone 1 81 - 1 - Peak 6104 from cnoeabs.peaks (0.19, 1.23, 22.65 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.71: QD2 LEU 51 + QG1 VAL 65 OK 71 100 - 71 - 4568/5031=17...(19) Peak 6105 from cnoeabs.peaks (1.68, 1.21, 23.08 ppm; 5.45 A): 3 out of 12 assignments used, quality = 0.94: HB3 LEU 64 + QG2 VAL 65 OK 78 89 - 88 - 4.4/2669=28, 4.0/4715=26...(21) HG3 ARG 66 + QG2 VAL 65 OK 62 92 - 68 - 5039/4.1=33, 4.1/5244=15...(15) HB3 GLN 61 + QG2 VAL 65 OK 33 81 - 41 - 5772=8, 1.8/5773=7...(10) HG LEU 29 - QG2 VAL 65 OK 27 99 - 27 - 4.9/4714=4, 2.1/5965=3...(10) HG2 ARG 70 - QG2 VAL 65 OK 23 63 - 36 - 4.0/5244=9, 4.9/4714=8...(8) HB3 LYS 13 - QG2 VAL 65 OK 16 100 - 16 - 4819/3.2=3, 4.8/2670=3...(5) HG2 ARG 23 - QG2 VAL 65 OK 12 97 - 12 - ~5032=2, 267/4.0=1...(4) HB2 ARG 82 - QG2 VAL 65 OK 11 93 - 11 - 267/4.0=2, ~5032=1 HD2 LYS 13 - QG2 VAL 65 lone 4 92 - 5 - HD3 LYS 13 - QG2 VAL 65 lone 4 92 - 5 - HD3 LYS 75 - QG2 VAL 65 lone 3 90 - 4 - HD2 LYS 75 - QG2 VAL 65 lone 3 90 - 4 - Peak 6106 from cnoeabs.peaks (1.68, 1.23, 22.65 ppm; 5.30 A): 3 out of 12 assignments used, quality = 0.94: HB3 LEU 64 + QG1 VAL 65 OK 78 93 - 84 - 4.4/2664=25, 4.0/5799=15...(21) HG3 ARG 66 + QG1 VAL 65 OK 62 96 - 65 - 5039/4.1=33...(15) HB3 GLN 61 + QG1 VAL 65 OK 25 73 - 34 - 5772/2.1=6, 1.8/5773=5...(9) HG LEU 29 - QG1 VAL 65 OK 22 98 - 23 - 267/4.0=3, ~5965=2...(8) HG2 ARG 70 - QG1 VAL 65 OK 20 71 - 28 - 4.9/5829=8, 744/4.1=7...(6) HB3 LYS 13 - QG1 VAL 65 OK 15 100 - 15 - 4.8/2665=3, 4819/3.2=3...(5) HG2 ARG 23 - QG1 VAL 65 poor 10 95 - 10 - ~5032=2, 267/4.0=1, ~5793=1 HB2 ARG 82 - QG1 VAL 65 lone 9 97 - 10 - 267/4.0=2, ~5032=1 HD2 LYS 13 - QG1 VAL 65 lone 3 87 - 4 - HD3 LYS 13 - QG1 VAL 65 lone 3 87 - 4 - HD3 LYS 75 - QG1 VAL 65 lone 3 85 - 3 - HD2 LYS 75 - QG1 VAL 65 lone 3 85 - 3 - Peak 6107 from cnoeabs.peaks (4.47, 3.21, 43.49 ppm; 5.28 A): 4 out of 30 assignments used, quality = 0.98: HA ASP 67 + HD2 ARG 70 OK 64 98 - 66 - 5052/3.0=20, 4792/6.3=13...(17) HA ASP 67 + HD3 ARG 70 OK 64 98 - 66 - 5052/3.0=20, 4792/6.3=13...(17) HA ASP 67 + HD2 ARG 66 OK 58 84 - 68 - 5814/6.2=9, ~5802=8...(22) HA ASP 67 + HD3 ARG 66 OK 55 81 - 68 - 5814/6.2=9, ~5802=8...(22) HA PRO 14 - HD2 ARG 66 OK 19 80 - 24 - 1095/3.4=4, 5051/3.4=2...(11) HA PRO 14 - HD3 ARG 66 OK 18 76 - 24 - 1095/3.4=4, 5051/3.4=2...(11) HA ASP 24 - HD3 ARG 70 OK 13 85 - 15 - 5052/3.0=5, 4792/6.3=2...(5) HA ASP 24 - HD2 ARG 70 OK 13 85 - 15 - 5052/3.0=5, 4792/6.3=2...(6) HA ASP 67 - HD3 ARG 71 OK 11 55 - 21 - 5838/5.8=10, 5050/3.0=3...(5) HA TYR 81 - HD2 ARG 70 OK 10 99 - 10 - 5052/3.0=3, 4792/6.3=2...(4) HA TYR 81 - HD3 ARG 70 OK 10 99 - 10 - 5052/3.0=3, 4792/6.3=2...(4) HA ASP 46 - HD2 ARG 70 poor 9 71 - 13 - 5052/3.0=4, 5050/3.0=2...(5) HA ASP 46 - HD3 ARG 70 poor 9 71 - 13 - 5052/3.0=4, 5050/3.0=2...(5) HA PRO 14 - HD2 ARG 70 lone 8 95 - 8 - 4792/6.3=2, 5052/3.0=2 HA PRO 14 - HD3 ARG 70 lone 8 94 - 8 - 4792/6.3=2, 5052/3.0=2 HA SER 22 - HD2 ARG 70 lone 7 83 - 8 - 4792/6.3=1 HA SER 22 - HD3 ARG 70 lone 7 83 - 8 - 4792/6.3=1 HA ASP 24 - HD2 ARG 66 lone 7 69 - 10 - ~5300=1, ~5504=1 HA ASP 24 - HD3 ARG 66 lone 7 66 - 10 - ~5300=1, ~5504=1 HA ASP 24 - HD3 ARG 71 poor 5 43 - 11 - 5838/5.8=4, 4157/3.5=2 HA ASP 46 - HD2 ARG 66 lone 3 57 - 6 - 5814/6.2=1 HA ASP 46 - HD3 ARG 66 lone 3 53 - 6 - 5814/6.2=1 HA SER 22 - HD2 ARG 66 lone 3 67 - 4 - HA TYR 81 - HD2 ARG 66 lone 3 85 - 3 - HA SER 22 - HD3 ARG 66 lone 3 64 - 4 - HA TYR 81 - HD3 ARG 66 lone 3 81 - 3 - HA ASP 46 - HD3 ARG 71 lone 2 34 - 6 - 5838/5.8=2 HA TYR 81 - HD3 ARG 71 lone 2 55 - 4 - 5838/5.8=1 HA PRO 14 - HD3 ARG 71 lone 1 51 - 2 - HA SER 22 - HD3 ARG 71 lone 1 42 - 3 - Peak 6108 from cnoeabs.peaks (1.91, 3.96, 46.02 ppm; 5.21 A): 3 out of 10 assignments used, quality = 0.98: HB ILE 68 + HA2 GLY 72 OK 77 93 - 83 - ~5845=21, 2.1/4797=14...(20) HB VAL 41 + HA2 GLY 72 OK 76 85 - 90 - ~4335=38, ~4338=38...(15) HG13 ILE 68 + HA2 GLY 72 OK 70 95 - 74 - 2.1/4797=13, 3.2/4797=12...(17) HG12 ILE 40 - HA2 GLY 72 OK 32 99 - 32 - 3.2/4796=5, 4799/1.8=4...(11) HB2 MET 31 - HA2 GLY 72 poor 9 71 - 13 - 4.0/4193=2, 3.0/4202=1...(5) HB3 PRO 14 - HA2 GLY 72 lone 5 73 - 7 - ~5492=2 HB2 GLU 19 - HA2 GLY 72 lone 4 100 - 3 - HB3 GLU 87 - HA2 GLY 72 lone 3 100 - 3 - HB2 GLN 91 - HA2 GLY 72 lone 2 93 - 2 - HB2 MET 11 - HA2 GLY 72 lone 2 68 - 2 - Peak 6110 from cnoeabs.peaks (2.39, 4.38, 55.13 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: HG3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.7=100 HB VAL 65 - HA MET 11 OK 30 99 - 31 - 967/3.0=9, 972/3.0=8...(6) HG2 GLU 50 - HA MET 11 OK 17 73 - 23 - 4511=8, 4.9/4506=3...(8) HG2 GLU 59 - HA MET 11 lone 5 100 - 5 - 4511=1, 967/3.0=1 Peak 6111 from cnoeabs.peaks (2.46, 4.38, 55.13 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.98: HG2 MET 11 + HA MET 11 OK 98 98 - 100 - 3.7=100 HB3 PRO 36 - HA MET 11 OK 20 99 - 20 - 966/3.0=7, 971/3.0=7...(4) HB2 PRO 44 - HA MET 11 lone 2 78 - 2 - Peak 6114 from cnoeabs.peaks (3.95, 1.38, 18.75 ppm; 3.83 A): 7 out of 52 assignments used, quality = 0.95: HA2 GLY 21 + QB ALA 20 OK 53 100 - 53 - 4.8=49, 5494/2.1=2...(4) HA3 GLY 21 + QB ALA 20 OK 53 100 - 53 - 4.8=49, 5494/2.1=2...(4) HA VAL 76 + QB ALA 77 OK 52 90 - 58 - 349/2.9=20, 5856/2.1=7...(16) HA VAL 76 + QB ALA 78 OK 24 83 - 29 - 3984/3.6=5, 3.6/818=5...(14) HA2 GLY 21 + QB ALA 77 OK 16 100 - 16 - 2.9/34=3, 349/2.9=2...(8) HA3 GLY 21 + QB ALA 77 OK 16 100 - 16 - 2.9/34=3, 349/2.9=2...(8) HA3 GLY 18 + QB ALA 20 OK 10 76 - 14 - 5494/2.1=3, ~5494=3...(6) HA2 GLY 18 - QB ALA 20 poor 10 73 - 14 - 5494/2.1=3, ~5494=3...(6) HA ALA 28 - QB ALA 77 lone 7 99 - 7 - 349/2.9=2, ~1473=1 HA GLU 50 - QB ALA 20 lone 7 96 - 7 - HA GLU 50 - QB ALA 77 lone 6 95 - 6 - 349/2.9=1 HA VAL 76 - QB ALA 20 lone 6 90 - 6 - 3.6/818=1 HA GLN 61 - QB ALA 20 lone 5 95 - 5 - 5758/3.6=2 HA2 GLY 72 - QB ALA 77 lone 5 96 - 5 - 349/2.9=1 HA THR 37 - QB ALA 77 lone 4 90 - 4 - HA LEU 62 - QB ALA 20 lone 4 63 - 6 - 4674/3.6=2, 5494/2.1=2 HA2 GLY 21 - QB ALA 78 lone 4 96 - 4 - HA3 GLY 21 - QB ALA 78 lone 4 96 - 4 - HA GLU 50 - QB ALA 78 lone 3 89 - 4 - HA ALA 28 - QB ALA 20 lone 3 99 - 3 - HA ALA 28 - QB ALA 78 lone 3 94 - 3 - HA2 GLY 72 - QB ALA 20 lone 3 97 - 3 - HA GLN 61 - QB ALA 77 lone 3 94 - 3 - HA ARG 66 - QB ALA 20 lone 2 71 - 4 - ~5037=1 HA THR 37 - QB ALA 20 lone 2 90 - 3 - HA ARG 66 - QB ALA 77 lone 2 70 - 3 - 349/2.9=1 HA2 GLY 72 - QB ALA 78 lone 2 90 - 2 - HA THR 37 - QB ALA 78 lone 2 83 - 2 - HA3 GLY 18 - QB ALA 77 lone 2 75 - 3 - HA2 GLY 18 - QB ALA 77 lone 2 73 - 3 - HA LYS 32 - QB ALA 77 lone 2 70 - 3 - HA2 GLY 21 - QB ALA 16 lone 2 54 - 3 - HA3 GLY 21 - QB ALA 16 lone 2 54 - 3 - HA THR 37 - QB ALA 16 lone 2 44 - 4 - 1810/5.0=1 HA GLN 61 - QB ALA 78 lone 1 88 - 2 - HA ALA 28 - QB ALA 16 lone 1 52 - 3 - HA GLN 61 - QB ALA 16 lone 1 47 - 3 - 5758/3.6=1 HA ARG 66 - QB ALA 78 lone 1 64 - 2 - HA GLU 50 - QB ALA 16 lone 1 48 - 2 - HA3 GLY 18 - QB ALA 16 lone 1 34 - 3 - ~3716=1 HA VAL 76 - QB ALA 16 lone 1 44 - 2 - HA2 GLY 18 - QB ALA 16 lone 1 33 - 3 - ~3716=1 HA LEU 62 - QB ALA 16 lone 1 27 - 4 - 4674/3.6=2 HA LEU 62 - QB ALA 77 lone 1 62 - 1 - HA LYS 32 - QB ALA 20 lone 1 71 - 1 - HA3 GLY 18 - QB ALA 78 lone 1 69 - 1 - HA2 GLY 18 - QB ALA 78 lone 1 66 - 1 - HA LYS 32 - QB ALA 78 lone 1 64 - 1 - HA LEU 62 - QB ALA 78 lone 1 56 - 1 - HA2 GLY 72 - QB ALA 16 lone 0 49 - 1 - HA ARG 66 - QB ALA 16 lone 0 31 - 1 - HA LYS 32 - QB ALA 16 lone 0 31 - 1 - Peak 6115 from cnoeabs.peaks (0.88, 1.67, 26.82 ppm; 3.37 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 QD1 LEU 86 + HG LEU 29 OK 57 99 - 58 - 1508=7, 1488/3.0=6...(29) QD1 LEU 62 + HG LEU 29 OK 54 99 - 55 - 1508=7, 1488/3.0=5...(26) HG LEU 51 - HG LEU 29 OK 22 96 - 23 - ~4520=2, 1488/3.0=2...(12) QG2 VAL 90 - HG LEU 29 OK 12 85 - 14 - 3.2/5929=2, 1488/3.0=1, ~5348=1 QG1 VAL 90 - HG LEU 29 OK 12 83 - 14 - 3.2/5929=2, 1488/3.0=1, ~5348=1 Peak 6116 from cnoeabs.peaks (2.62, 1.45, 18.14 ppm; 4.68 A): 4 out of 4 assignments used, quality = 0.85: HG2 MET 31 + QB ALA 30 OK 75 100 - 75 - 1.8/5305=23, 4.2/4190=20...(13) HG2 GLN 61 + QB ALA 30 OK 27 76 - 36 - 3.0/5305=12, 558/3.6=8...(8) HB2 ASP 38 + QB ALA 30 OK 10 100 - 10 - 558/3.6=4, 1528/4.9=3 HB3 ASP 38 + QB ALA 30 OK 10 100 - 10 - 558/3.6=4, 1528/4.9=3 Peak 6117 from cnoeabs.peaks (8.24, 4.42, 55.00 ppm; 4.66 A): 0 out of 7 assignments used, low quality = 0.31: H ALA 28 - HA MET 31 OK 31 71 - 44 - ~4182=7, ~4838=6...(13) H ALA 77 - HA MET 31 lone 9 96 - 9 - 4.5/3771=3, 4.4/1537=2...(4) H SER 22 - HA MET 31 lone 6 65 - 9 - 4152/3.0=2 H GLN 79 - HA MET 31 lone 3 78 - 3 - H ALA 12 - HA MET 31 lone 3 100 - 3 - H VAL 90 - HA MET 31 lone 1 63 - 2 - H LEU 86 - HA MET 31 lone 1 65 - 1 - Peak 6118 from cnoeabs.peaks (4.12, 2.63, 32.57 ppm; 5.29 A): 2 out of 7 assignments used, quality = 0.67: HA ALA 30 + HG2 MET 31 OK 57 83 - 69 - 2.1/6116=27, 3.6/558=22...(10) HA ARG 27 + HG2 MET 31 OK 24 100 - 24 - 5518/4.7=10, 5388/6116=6...(4) HA GLU 25 - HG2 MET 31 poor 10 65 - 15 - 5518/4.7=3, 5388/6116=2...(6) HA ASN 49 - HG2 MET 31 poor 10 76 - 13 - 3.6/1542=5, 3848/4.7=4 HA ARG 23 - HG2 MET 31 lone 7 97 - 7 - 5518/4.7=2, 5388/6116=1, 5524=1 HA GLN 91 - HG2 MET 31 lone 3 87 - 4 - HB THR 88 - HG2 MET 31 lone 3 100 - 3 - Peak 6120 from cnoeabs.peaks (0.71, 1.94, 32.66 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.97: QD2 LEU 57 + HB2 MET 31 OK 86 100 - 86 - 4846/1.8=18, 4847/3.0=16...(28) QD1 ILE 33 + HB2 MET 31 OK 78 100 - 78 - 4225/3.0=16, 4846/1.8=15...(21) Peak 6121 from cnoeabs.peaks (0.84, 1.94, 32.66 ppm; 3.68 A): 6 out of 7 assignments used, quality = 0.89: QD2 LEU 64 + HB2 MET 31 OK 59 99 - 60 - 5021/3.0=13, 6103=12...(16) QD1 LEU 43 + HB2 MET 31 OK 45 99 - 46 - 4200/3.0=7, 4198/3.0=7...(15) QG2 ILE 89 + HB2 MET 31 OK 23 100 - 23 - 4200/3.0=4, 4198/3.0=3...(8) QD2 LEU 29 + HB2 MET 31 OK 22 99 - 22 - 4192/4.0=4, 4200/3.0=3...(7) QD1 ILE 89 + HB2 MET 31 OK 11 65 - 16 - 2.1/4195=3, 4198/3.0=2...(10) QD2 LEU 86 + HB2 MET 31 OK 10 100 - 10 - 4198/3.0=2, 4200/3.0=2...(5) QG2 ILE 68 - HB2 MET 31 poor 6 60 - 10 - Peak 6122 from cnoeabs.peaks (0.83, 0.71, 10.76 ppm; 3.32 A): 6 out of 7 assignments used, quality = 0.86: QD2 LEU 64 + QD1 ILE 33 OK 44 97 - 46 - 3.1/5026=7, 3.1/5025=6...(20) QG2 ILE 89 + QD1 ILE 33 OK 41 99 - 41 - 3.2/1671=5, 3616/2.1=4...(20) QD1 ILE 89 + QD1 ILE 33 OK 29 73 - 40 - 2.1/1671=6, 4853/2.1=4...(17) QD1 LEU 43 + QD1 ILE 33 OK 21 100 - 21 - 2033/2.1=3, 4853/2.1=2...(6) QG2 ILE 68 + QD1 ILE 33 OK 14 68 - 21 - ~5376=7, 4853/2.1=2...(7) QD2 LEU 29 + QD1 ILE 33 OK 14 97 - 14 - 2.1/4222=2, 5559/4.8=2...(4) QD2 LEU 86 - QD1 ILE 33 lone 7 100 - 7 - Peak 6123 from cnoeabs.peaks (8.06, 1.78, 30.55 ppm; 4.63 A): 6 out of 18 assignments used, quality = 0.90: H ARG 82 + HB3 ARG 82 OK 81 81 - 100 - 4.0=100 H ARG 82 + HB2 ARG 54 OK 16 43 - 36 - 5478/1.8=8, 4.3/4683=7...(9) H TYR 81 + HB2 PRO 34 OK 15 96 - 15 - 5470/3.0=4, 4.4/5568=3...(6) H ARG 82 + HB2 PRO 34 OK 13 93 - 13 - 5476=2, 4.3/4683=2...(5) H TYR 81 + HB3 ARG 82 OK 11 83 - 13 - 6050/3.0=4, 4.5/4683=4...(4) H TYR 81 + HB2 ARG 54 OK 10 45 - 22 - 4.5/4683=7, 5065/3.6=4...(7) H ARG 82 - HB3 LYS 32 poor 8 55 - 14 - 5476=2, 5476/1.8=2, 3.0/6051=1 H ARG 82 - HB2 LYS 32 poor 8 55 - 14 - 5476=2, 5476/1.8=2, 3.0/6051=1 H ARG 82 - HB3 ARG 84 poor 7 60 - 12 - 5473/3.0=3, 3.6/6059=3...(4) H TYR 81 - HB3 ARG 84 lone 5 63 - 8 - 5882/3.0=3, 3.0/6059=3 H TYR 81 - HB2 LYS 32 lone 4 58 - 6 - 4.6/5476=1 H TYR 81 - HB3 LYS 32 lone 4 58 - 6 - 4.6/5476=1 H GLN 91 - HB2 PRO 34 lone 2 60 - 3 - H GLN 91 - HB3 ARG 82 lone 1 49 - 2 - H GLN 91 - HB3 ARG 84 lone 1 35 - 2 - H GLN 91 - HB3 LYS 32 lone 0 32 - 1 - H GLN 91 - HB2 LYS 32 lone 0 32 - 1 - H GLN 91 - HB2 ARG 54 lone 0 24 - 1 - Peak 6124 from cnoeabs.peaks (6.66, 4.99, 52.48 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HA PHE 35 OK 100 100 - 100 - 3.7=100 Peak 6125 from cnoeabs.peaks (4.97, 6.65, 132.93 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.84: HA PHE 35 + QD PHE 35 OK 84 84 - 100 - 3.7=100 Peak 6126 from cnoeabs.peaks (8.69, 2.12, 32.41 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.91: H ASP 38 + HB2 PRO 36 OK 91 100 - 91 - 4291/1.8=36, 4290/2.3=34...(13) Peak 6127 from cnoeabs.peaks (8.59, 4.61, 62.34 ppm; 4.11 A): 0 out of 1 assignment used, low quality = 0.00: H ARG 66 - HA PRO 36 lone 1 100 - 1 - Peak 6128 from cnoeabs.peaks (1.34, 1.17, 22.48 ppm; 3.37 A): 2 out of 7 assignments used, quality = 0.53: QB ALA 28 + QG2 THR 37 OK 44 100 - 44 - 5532=20, 4179/4285=7...(9) HB2 LEU 52 + QG2 THR 37 OK 17 100 - 17 - 2262=2, 5195/4285=2...(9) HB2 LEU 51 - QG2 THR 37 lone 5 92 - 6 - 5195/4285=1 HG3 LYS 32 - QG2 THR 37 lone 4 99 - 4 - QB ALA 16 - QG2 THR 37 lone 3 76 - 4 - 5.0/1131=1, 2.9/20=1 QB ALA 12 - QG2 THR 37 lone 1 100 - 1 - QG2 THR 58 - QG2 THR 37 lone 1 73 - 2 - Peak 6129 from cnoeabs.peaks (2.66, 1.72, 42.41 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.97: HB2 ASP 47 + HB2 LEU 43 OK 95 99 - 96 - 4912/1.8=31, 4914/3.1=29...(19) HB3 ASN 49 + HB2 LEU 43 OK 43 87 - 49 - 4912/1.8=14, 4914/3.1=11...(10) Peak 6131 from cnoeabs.peaks (7.33, 3.81, 57.23 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.76: QD TYR 55 + HA LEU 52 OK 76 99 - 77 - 4631=37, 4.4/4581=23...(10) Peak 6132 from cnoeabs.peaks (4.88, 0.71, 23.03 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.85: HA TYR 55 + QD2 LEU 57 OK 85 93 - 92 - 3.7/4989=26, 3.0/4587=22...(18) Peak 6133 from cnoeabs.peaks (6.83, 3.96, 59.12 ppm; 5.55 A): 2 out of 8 assignments used, quality = 0.96: HE22 GLN 61 + HA GLN 61 OK 93 95 - 98 - 5.7=91, 3.5/2529=25...(13) HE22 GLN 61 + HA GLU 50 OK 44 99 - 44 - ~5672=7, 3.5/2529=7...(11) QE TYR 55 - HA GLN 61 OK 31 72 - 43 - ~4627=8, 2555/4.0=8...(10) HD21 ASN 49 - HA GLU 50 OK 17 63 - 27 - ~183=14, ~184=13 QE TYR 55 - HA GLU 50 lone 6 78 - 8 - 6.3/2524=2, 2.2/4662=1 HE22 GLN 79 - HA GLN 61 lone 6 65 - 9 - 4.4/6011=2, ~5761=1...(5) HE22 GLN 79 - HA GLU 50 lone 3 71 - 4 - HD21 ASN 49 - HA GLN 61 lone 1 57 - 2 - Peak 6134 from cnoeabs.peaks (8.43, 0.95, 23.35 ppm; 4.46 A): 3 out of 4 assignments used, quality = 0.76: H ILE 68 + QD1 LEU 64 OK 62 99 - 63 - 4.6/5020=21, 6135/3.9=16...(11) H GLU 87 + QD1 LEU 64 OK 21 99 - 21 - 6135/3.9=5, 5919/2.1=4...(6) H ALA 20 + QD1 LEU 64 OK 19 78 - 24 - 4.5/3919=6, 6135/3.9=5...(10) H GLY 18 - QD1 LEU 64 poor 9 65 - 14 - 4.7/3919=4, 3.6/2648=3...(4) Peak 6135 from cnoeabs.peaks (8.43, 4.26, 57.87 ppm; 4.69 A): 3 out of 3 assignments used, quality = 0.85: H ILE 68 + HA LEU 64 OK 76 100 - 76 - 4.6/5287=24, 4.6/5288=22...(11) H ALA 20 + HA LEU 64 OK 23 87 - 27 - 4.5/33=6, 6134/3.9=5...(11) H GLU 87 + HA LEU 64 OK 22 97 - 23 - 6134/3.9=6, 5919/3.9=3...(7) Peak 6136 from cnoeabs.peaks (8.10, 3.20, 43.10 ppm; 4.89 A): 4 out of 35 assignments used, quality = 0.97: H ARG 71 + HD3 ARG 71 OK 86 100 - 86 - 5.8=59, 2928/3.0=23...(16) H ARG 71 + HD3 ARG 70 OK 40 58 - 69 - 307/3.0=15, 305/3.5=14...(19) H ARG 71 + HD2 ARG 70 OK 40 57 - 69 - 307/3.0=15, 305/3.5=14...(19) H ARG 71 + HD3 ARG 26 OK 39 70 - 56 - 779/3.0=8, 775/4.8=7...(28) H ARG 71 - HD2 ARG 26 OK 37 67 - 55 - 779/3.0=8, 775/4.8=7...(27) H ARG 71 - HD2 ARG 66 OK 36 56 - 64 - 307/3.0=9, 306/3.4=8...(24) H ARG 71 - HD3 ARG 66 OK 34 54 - 64 - 307/3.0=9, 305/3.4=8...(24) H ARG 26 - HD3 ARG 26 OK 27 35 - 77 - 6.1=52, 1390/3.0=9...(19) H ARG 26 - HD2 ARG 26 OK 26 34 - 77 - 6.1=52, 1390/3.0=9...(19) H ARG 26 - HD3 ARG 71 OK 25 60 - 42 - 2928/3.0=9, ~2929=6...(17) H LYS 75 - HD3 ARG 71 OK 14 97 - 14 - 2928/3.0=4, 803/3.5=2...(6) H LYS 85 - HD3 ARG 70 OK 10 59 - 17 - 5488/3.0=5, 5390/6.3=3...(6) H LYS 85 - HD3 ARG 71 OK 10 100 - 10 - 2928/3.0=3, 2920/3.0=1 H LYS 85 - HD2 ARG 70 OK 10 58 - 17 - 5488/3.0=5, 5390/6.3=3...(6) H LYS 75 - HD3 ARG 70 poor 10 54 - 18 - 5488/3.0=5, 5390/6.3=4...(6) H LYS 75 - HD2 ARG 70 poor 9 53 - 18 - 5488/3.0=5, 5390/6.3=4...(6) H ARG 26 - HD2 ARG 66 poor 8 27 - 31 - ~5167=3, ~5165=3...(14) H ARG 26 - HD3 ARG 66 poor 8 26 - 30 - ~5167=3, ~5165=3...(14) H ARG 26 - HD2 ARG 70 poor 4 28 - 13 - 5391/5.3=1, ~5395=1 H ARG 26 - HD3 ARG 70 poor 4 29 - 13 - 5391/5.3=1, ~5395=1 H LYS 75 - HD2 ARG 66 lone 3 51 - 5 - 5851/5.2=1 H LYS 75 - HD3 ARG 66 lone 3 49 - 5 - 5851/5.2=1 H LYS 85 - HD3 ARG 26 lone 3 70 - 4 - H LYS 85 - HD2 ARG 26 lone 2 68 - 3 - H LYS 85 - HD2 ARG 66 lone 2 56 - 4 - H LYS 85 - HD3 ARG 66 lone 2 54 - 4 - H LYS 75 - HD3 ARG 26 lone 2 65 - 3 - H THR 88 - HD3 ARG 71 lone 2 60 - 3 - H LYS 75 - HD2 ARG 26 lone 2 62 - 3 - H THR 88 - HD3 ARG 26 lone 2 35 - 5 - H THR 88 - HD2 ARG 26 lone 2 34 - 5 - H THR 88 - HD3 ARG 70 lone 1 29 - 3 - H THR 88 - HD2 ARG 70 lone 1 28 - 3 - H THR 88 - HD2 ARG 66 lone 1 27 - 2 - H THR 88 - HD3 ARG 66 lone 1 26 - 2 - Peak 6137 from cnoeabs.peaks (8.11, 3.14, 43.10 ppm; 4.80 A): 4 out of 50 assignments used, quality = 0.95: H ARG 71 + HD2 ARG 71 OK 83 100 - 83 - 5.8=55, 2928/3.0=22...(14) H LYS 85 + HD2 ARG 84 OK 34 99 - 35 - 377/5.1=15, 378/3.5=9...(6) H LYS 85 + HD3 ARG 84 OK 34 98 - 35 - 377/5.1=15, 378/3.5=9...(6) H ARG 26 + HD2 ARG 71 OK 31 73 - 43 - 2928/3.0=9, ~2929=5...(15) H ARG 71 - HD3 ARG 17 OK 20 83 - 25 - 5.0/2934=3, 779/3.6=3...(9) H ARG 71 - HD2 ARG 17 OK 20 83 - 25 - 5.0/2934=3, 779/3.6=3...(9) H ARG 71 - HD2 ARG 84 OK 16 99 - 16 - 5.0/2934=2, 307/3.5=2...(9) H ARG 71 - HD3 ARG 84 OK 15 98 - 15 - 5.0/2934=2, 307/3.5=2...(9) H ARG 26 - HD3 ARG 27 OK 15 37 - 40 - 5380/6.3=10, 5345/5.4=8...(10) H ARG 26 - HD2 ARG 27 OK 15 37 - 40 - 5380/6.3=10, 5345/5.4=8...(10) H ARG 71 - HD2 ARG 27 OK 14 60 - 24 - 5380/6.3=3, 777/3.5=2...(9) H ARG 71 - HD3 ARG 27 OK 14 60 - 24 - 5380/6.3=3, 777/3.5=2...(9) H LYS 75 - HD2 ARG 71 OK 12 90 - 13 - 2928/3.0=4, 803/3.5=2...(6) H LYS 85 - HD2 ARG 71 OK 11 100 - 11 - 2928/3.0=3, 2920/3.0=1 H ARG 71 - HD2 ARG 23 poor 8 71 - 12 - 5.0/2934=1, 2.9/2902=1 H ARG 71 - HD3 ARG 23 poor 8 71 - 12 - 5.0/2934=1, 2.9/2902=1 H ARG 26 - HD3 ARG 17 poor 8 54 - 14 - 530/3.6=1, 529/3.0=1...(4) H ARG 26 - HD2 ARG 17 poor 8 54 - 14 - 530/3.6=1, 529/3.0=1...(4) H ARG 26 - HD2 ARG 84 lone 6 71 - 8 - H LYS 85 - HD3 ARG 17 lone 6 83 - 7 - 4.6/3390=1, 3.6/5888=1 H LYS 85 - HD2 ARG 17 lone 6 83 - 7 - 4.6/3390=1, 3.6/5888=1 H ARG 26 - HD3 ARG 84 lone 6 69 - 8 - H ARG 71 - HD2 ARG 82 lone 4 96 - 4 - H LYS 85 - HD2 ARG 82 lone 4 96 - 4 - H ARG 26 - HD3 ARG 23 lone 4 45 - 9 - 5345/5.2=2 H ARG 26 - HD2 ARG 23 lone 4 45 - 9 - 5345/5.2=2 H LYS 75 - HD2 ARG 84 lone 4 88 - 4 - H LYS 75 - HD3 ARG 84 lone 4 86 - 4 - H THR 88 - HD3 ARG 27 lone 4 37 - 10 - 873/5.4=3, 5380/6.3=2 H THR 88 - HD2 ARG 27 lone 4 37 - 10 - 873/5.4=3, 5380/6.3=2 H LYS 75 - HD3 ARG 23 lone 3 58 - 6 - H LYS 75 - HD2 ARG 23 lone 3 58 - 6 - H LYS 85 - HD2 ARG 27 lone 2 60 - 4 - H LYS 85 - HD3 ARG 27 lone 2 60 - 4 - H LYS 85 - HD2 ARG 23 lone 2 71 - 3 - H LYS 85 - HD3 ARG 23 lone 2 71 - 3 - H THR 88 - HD3 ARG 17 lone 2 54 - 4 - H THR 88 - HD2 ARG 17 lone 2 54 - 4 - H THR 88 - HD2 ARG 71 lone 2 73 - 3 - H LYS 75 - HD3 ARG 17 lone 2 69 - 3 - H LYS 75 - HD2 ARG 17 lone 2 69 - 3 - H LYS 75 - HD2 ARG 82 lone 2 83 - 2 - H ARG 26 - HD2 ARG 82 lone 2 66 - 2 - H THR 88 - HD2 ARG 84 lone 2 71 - 2 - H LYS 75 - HD3 ARG 27 lone 2 49 - 3 - H LYS 75 - HD2 ARG 27 lone 2 49 - 3 - H THR 88 - HD3 ARG 84 lone 1 69 - 2 - H THR 88 - HD3 ARG 23 lone 1 45 - 3 - 873/5.2=1 H THR 88 - HD2 ARG 23 lone 1 45 - 3 - 873/5.2=1 H THR 88 - HD2 ARG 82 lone 1 66 - 2 - Peak 6140 from cnoeabs.peaks (1.75, 6.79, 117.91 ppm; 5.21 A): 4 out of 32 assignments used, quality = 0.94: HB2 ARG 54 + QE TYR 81 OK 58 88 - 66 - ~4684=18, 4562=13...(12) HG2 PRO 34 + QE TYR 55 OK 56 60 - 94 - 4246/2.2=42, ~5565=31...(21) HB2 ARG 54 + QE TYR 55 OK 50 53 - 94 - ~4563=31, 4561/2.2=28...(21) HB3 ARG 82 + QE TYR 81 OK 34 88 - 39 - ~5868=10, 3.0/4678=9...(6) HB2 LEU 57 - QE TYR 55 OK 28 51 - 54 - ~4989=21, ~4636=16...(8) HB2 PRO 34 - QE TYR 55 OK 27 30 - 89 - ~4246=30, ~5565=28...(17) HB2 LEU 43 - QE TYR 81 OK 26 68 - 38 - ~5639=10, 4921/2.2=9...(5) HG2 PRO 34 - QE TYR 81 OK 23 95 - 24 - 2.3/5291=5, 5933=3...(8) HB ILE 33 - QE TYR 55 OK 23 48 - 48 - ~4636=11, 3.0/4206=10...(11) HB2 LEU 62 - QE TYR 55 OK 22 64 - 35 - 5777/6.3=6, ~5950=5...(10) HB2 PRO 34 - QE TYR 81 OK 14 55 - 25 - 1.8/5291=5, 4683/2.2=3...(7) HB2 LYS 32 - QE TYR 55 OK 13 40 - 32 - ~4247=5, ~4662=4...(13) HB3 LYS 32 - QE TYR 55 OK 13 40 - 32 - ~4247=5, ~4662=4...(13) HB3 LYS 73 - QE TYR 81 OK 11 60 - 17 - 3.0/4678=4, 4683/2.2=4...(5) HB2 LYS 32 - QE TYR 81 lone 6 71 - 9 - 4683/2.2=2, ~4683=1 HB3 LYS 32 - QE TYR 81 lone 6 71 - 9 - 4683/2.2=2, ~4683=1 HB2 LEU 62 - QE TYR 81 lone 6 99 - 6 - HB2 ARG 84 - QE TYR 81 lone 5 73 - 7 - 3.0/4678=3, ~4675=2 HG3 ARG 71 - QE TYR 55 lone 5 64 - 7 - 2.8/5291=1, ~4666=1, 2.8/5291=1 HB3 ARG 82 - QE TYR 55 lone 5 53 - 9 - 4247/2.2=1, 3.0/4678=1 HB ILE 33 - QE TYR 81 lone 4 82 - 5 - HB2 LEU 57 - QE TYR 81 lone 4 86 - 5 - HG3 ARG 26 - QE TYR 55 lone 4 65 - 6 - HG3 ARG 71 - QE TYR 81 lone 3 99 - 3 - HB3 LYS 73 - QE TYR 55 lone 3 33 - 9 - HB3 ARG 17 - QE TYR 55 lone 3 63 - 4 - HB3 ARG 17 - QE TYR 81 lone 3 98 - 3 - HG3 ARG 26 - QE TYR 81 lone 3 99 - 3 - HB2 ARG 84 - QE TYR 55 lone 2 42 - 6 - HB3 LYS 85 - QE TYR 81 lone 2 63 - 4 - HB2 LEU 43 - QE TYR 55 lone 1 38 - 4 - HB3 LYS 85 - QE TYR 55 lone 1 35 - 2 - Peak 6141 from cnoeabs.peaks (1.39, 6.79, 117.91 ppm; 5.90 A): 9 out of 26 assignments used, quality = 0.89: QB ALA 78 + QE TYR 81 OK 58 99 - 59 - ~6048=27, 4685/2.2=18...(5) HG3 LYS 39 + QE TYR 55 OK 22 53 - 41 - ~4634=10, ~4666=7...(11) QB ALA 77 + QE TYR 81 OK 20 92 - 22 - 4.9/6008=9, 4685/2.2=7, ~6048=5 HG3 LYS 73 + QE TYR 81 OK 15 99 - 15 - 3.8/4678=4, 4685/2.2=4, ~4683=3 HG3 ARG 69 + QE TYR 81 OK 15 93 - 16 - 4685/2.2=4, 3.0/4681=3...(5) HG3 LYS 39 + QE TYR 81 OK 14 88 - 16 - ~4684=6, ~4683=2 HG3 LYS 75 + QE TYR 81 OK 14 99 - 14 - 4685/2.2=3, ~4685=3...(5) HG2 LYS 75 + QE TYR 81 OK 14 99 - 14 - 4685/2.2=3, ~4685=3...(5) HB3 ARG 69 + QE TYR 81 OK 13 98 - 13 - ~4685=3, 3.9/4681=3...(4) QB ALA 53 - QE TYR 55 poor 10 64 - 15 - 5732/6.3=10, 2.1/4678=1 HG3 LYS 75 - QE TYR 55 poor 8 65 - 12 - ~4666=2, 5732/6.3=2...(4) HG2 LYS 75 - QE TYR 55 poor 8 65 - 12 - ~4666=2, 5732/6.3=2...(4) HG3 LYS 73 - QE TYR 55 poor 7 65 - 11 - 5732/6.3=3 QB ALA 53 - QE TYR 81 lone 6 99 - 6 - 2.1/4678=1 HG2 LYS 85 - QE TYR 81 lone 4 94 - 5 - HG2 LYS 83 - QE TYR 81 lone 4 80 - 5 - QB ALA 78 - QE TYR 55 lone 3 65 - 5 - HB3 ARG 69 - QE TYR 55 lone 3 63 - 5 - 5732/6.3=1 QB ALA 20 - QE TYR 81 lone 3 94 - 3 - HG3 ARG 69 - QE TYR 55 lone 3 58 - 5 - QB ALA 77 - QE TYR 55 lone 2 57 - 4 - HG2 LYS 85 - QE TYR 55 lone 2 59 - 4 - QB ALA 20 - QE TYR 55 lone 2 59 - 3 - QB ALA 16 - QE TYR 81 lone 2 58 - 3 - HG2 LYS 83 - QE TYR 55 lone 2 47 - 3 - QB ALA 16 - QE TYR 55 lone 1 32 - 3 - Peak 6142 from cnoeabs.peaks (3.15, 3.15, 42.98 ppm; diagonal): 10 out of 12 assignments used, quality = 1.00: * HD2 ARG 82 + HD2 ARG 82 OK 100 100 - 100 HD3 ARG 84 + HD3 ARG 84 OK 98 98 - 100 HD2 ARG 84 + HD2 ARG 84 OK 98 98 - 100 HD2 ARG 71 + HD2 ARG 71 OK 92 92 - 100 HD3 ARG 17 + HD3 ARG 17 OK 85 85 - 100 HD2 ARG 17 + HD2 ARG 17 OK 85 85 - 100 HD3 ARG 23 + HD3 ARG 23 OK 69 69 - 100 HD2 ARG 23 + HD2 ARG 23 OK 69 69 - 100 HD2 ARG 27 + HD2 ARG 27 OK 54 54 - 100 HD3 ARG 27 + HD3 ARG 27 OK 54 54 - 100 HD2 ARG 26 - HD2 ARG 26 OK 36 36 - 100 HD3 ARG 26 - HD3 ARG 26 OK 33 33 - 100 Peak 6143 from cnoeabs.peaks (1.37, 4.24, 56.21 ppm; 4.05 A): 3 out of 36 assignments used, quality = 1.00: HG2 LYS 83 + HA LYS 83 OK 100 100 - 100 - 3.7=100 QB ALA 20 + HA GLU 19 OK 71 89 - 80 - 4.5=71, 2.9/27=12, ~29=6...(10) HG2 LYS 85 + HA LYS 85 OK 70 70 - 100 - 3.8=100 HG2 LYS 85 - HA LYS 83 OK 34 99 - 35 - 5897/2.9=3, ~3297=3...(16) HG3 LYS 73 - HA LYS 85 OK 21 57 - 37 - 6145=3, 3447/3.0=2...(17) HG2 LYS 75 - HA LYS 85 OK 21 54 - 39 - 3447/3.0=2, 3097=2...(15) HG3 LYS 75 - HA LYS 85 OK 21 54 - 39 - 3447/3.0=2, 3107=2...(15) HG2 LYS 75 - HA LYS 83 OK 18 83 - 21 - 5897/2.9=2, 2.7/3279=1...(8) HG3 LYS 75 - HA LYS 83 OK 18 83 - 21 - 5897/2.9=2, 2.7/3279=1...(8) HG2 LYS 83 - HA LYS 85 OK 17 73 - 24 - 2.9/3444=3, 4.6/831=3...(10) HG3 LYS 73 - HA LYS 83 OK 17 87 - 19 - 5897/2.9=2, ~3287=1...(6) HG3 ARG 69 - HA LYS 85 OK 11 71 - 15 - 2818/3.0=2, 3447/3.0=1...(4) QB ALA 77 - HA LYS 83 lone 8 99 - 8 - 5897/2.9=1, 2.9/817=1 HB3 ARG 69 - HA LYS 85 poor 7 44 - 15 - 2802/3.0=2, 3447/3.0=1, ~2818=1 HG3 ARG 69 - HA LYS 83 lone 7 99 - 7 - HG3 ARG 69 - HA GLU 19 lone 6 89 - 7 - 499/3.6=2 QB ALA 77 - HA LYS 85 lone 6 71 - 8 - 2.9/817=1 HG2 LYS 83 - HA GLU 19 lone 5 92 - 6 - 4.6/831=1 QB ALA 77 - HA GLU 19 lone 5 90 - 6 - 1239/3.6=2 QB ALA 20 - HA LYS 83 lone 5 99 - 5 - 2.9/3720=1 QB ALA 78 - HA LYS 83 lone 5 87 - 5 - HB3 ARG 69 - HA LYS 83 lone 5 71 - 6 - QB ALA 16 - HA GLU 19 lone 4 87 - 5 - 499/3.6=1 HB3 ARG 69 - HA GLU 19 lone 4 59 - 6 - 499/3.6=2 HG2 LYS 85 - HA GLU 19 lone 3 89 - 4 - QB ALA 78 - HA LYS 85 lone 3 57 - 6 - QB ALA 16 - HA LYS 83 lone 3 97 - 3 - 2.9/18=1 QB ALA 78 - HA GLU 19 lone 3 75 - 4 - 1239/3.6=1 HG3 LYS 75 - HA GLU 19 lone 3 71 - 4 - HG2 LYS 75 - HA GLU 19 lone 3 71 - 4 - QB ALA 53 - HA LYS 83 lone 2 76 - 3 - QB ALA 20 - HA LYS 85 lone 2 70 - 3 - HG3 LYS 73 - HA GLU 19 lone 2 75 - 2 - QB ALA 16 - HA LYS 85 lone 2 68 - 2 - QB ALA 53 - HA LYS 85 lone 1 48 - 3 - QB ALA 53 - HA GLU 19 lone 1 64 - 2 - Peak 6144 from cnoeabs.peaks (1.37, 1.37, 24.39 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 83 + HG2 LYS 83 OK 100 100 - 100 HG2 LYS 85 + HG2 LYS 85 OK 87 87 - 100 HG3 LYS 73 + HG3 LYS 73 OK 60 60 - 100 Peak 6145 from cnoeabs.peaks (4.23, 1.37, 24.39 ppm; 3.81 A): 2 out of 33 assignments used, quality = 1.00: HA LYS 83 + HG2 LYS 83 OK 96 96 - 100 - 3.7=100 HA LYS 85 + HG2 LYS 85 OK 90 91 - 98 - 3.8=98, 385/4.7=15...(9) HA LYS 75 - HG3 LYS 73 OK 30 70 - 43 - 3068/2.9=4, 3071=4...(18) HA LYS 75 - HG2 LYS 85 OK 27 83 - 33 - 3066/4.8=3, 3464/1.8=3...(10) HA LYS 85 - HG3 LYS 73 OK 26 79 - 34 - 3427=3, 3428/1.8=3...(12) HA LYS 83 - HG2 LYS 85 OK 26 84 - 31 - 2.9/5897=3, 3444/2.9=3...(15) HA LYS 85 - HG2 LYS 83 OK 21 100 - 21 - 3444/2.9=3, 831/4.6=2...(9) HA LYS 39 - HG3 LYS 73 OK 14 60 - 24 - 1835/2.9=2, 1838/2.9=1...(5) HA LYS 83 - HG3 LYS 73 OK 12 71 - 17 - 2.9/5897=2, 6143=1...(5) HA LYS 75 - HG2 LYS 83 OK 11 95 - 12 - 3069/2.9=1, 3444/2.9=1 HA LYS 39 - HG2 LYS 85 lone 7 72 - 10 - 385/4.7=1 HA ALA 77 - HG2 LYS 85 lone 7 91 - 7 - HA ALA 77 - HG3 LYS 73 lone 5 79 - 6 - 3.0/818=1 HA ALA 77 - HG2 LYS 83 lone 5 100 - 5 - HA LYS 39 - HG2 LYS 83 lone 4 85 - 5 - HA ALA 78 - HG3 LYS 73 lone 4 49 - 8 - HA GLU 19 - HG2 LYS 83 lone 4 68 - 5 - 831/4.6=1 HA THR 15 - HG2 LYS 83 lone 3 92 - 4 - HA ALA 78 - HG2 LYS 85 lone 3 59 - 5 - HA THR 15 - HG2 LYS 85 lone 3 80 - 4 - HA GLU 19 - HG2 LYS 85 lone 2 57 - 3 - HA THR 15 - HG3 LYS 73 lone 2 67 - 3 - HB THR 37 - HG3 LYS 73 lone 2 75 - 3 - HA ALA 78 - HG2 LYS 83 lone 2 71 - 3 - HA LEU 64 - HG2 LYS 83 lone 2 60 - 3 - HB THR 37 - HG2 LYS 85 lone 2 88 - 2 - HB THR 37 - HG2 LYS 83 lone 1 99 - 1 - HA LEU 64 - HG3 LYS 73 lone 1 40 - 4 - HA ALA 12 - HG2 LYS 85 lone 1 54 - 2 - HA LEU 64 - HG2 LYS 85 lone 1 49 - 2 - HA ALA 12 - HG2 LYS 83 lone 1 65 - 2 - HA GLU 19 - HG3 LYS 73 lone 1 47 - 2 - HA ALA 12 - HG3 LYS 73 lone 1 45 - 1 - Peak 6146 from cnoeabs.peaks (2.95, 1.37, 24.39 ppm; 3.86 A): 2 out of 36 assignments used, quality = 0.96: HE2 LYS 73 + HG3 LYS 73 OK 79 79 - 100 - 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 79 79 - 100 - 3.7=100 HE3 LYS 75 - HG3 LYS 73 OK 32 76 - 43 - 3042/1.8=2, 3040/2.9=1...(5) HE2 LYS 75 - HG3 LYS 73 OK 32 75 - 43 - 3042/1.8=2, 3040/2.9=1...(5) HE2 LYS 32 - HG3 LYS 73 OK 24 79 - 30 - 3042/1.8=1, ~2995=1...(6) HE3 LYS 32 - HG3 LYS 73 OK 23 79 - 30 - 3042/1.8=1, ~2995=1...(6) HE3 LYS 75 - HG2 LYS 85 OK 18 89 - 20 - HE3 LYS 13 - HG3 LYS 73 OK 18 70 - 26 - 3032/1.8=1 HE2 LYS 75 - HG2 LYS 85 OK 18 88 - 20 - HE2 LYS 13 - HG3 LYS 73 OK 18 69 - 26 - 3032/1.8=1 HE3 LYS 73 - HG2 LYS 85 OK 14 91 - 16 - HE2 LYS 73 - HG2 LYS 85 OK 14 91 - 16 - HE3 LYS 13 - HG2 LYS 85 OK 11 83 - 14 - HE2 LYS 13 - HG2 LYS 85 OK 11 81 - 14 - HE2 LYS 39 - HG3 LYS 73 poor 8 51 - 17 - HE3 LYS 39 - HG3 LYS 73 poor 8 47 - 17 - HE3 LYS 75 - HG2 LYS 83 lone 5 99 - 5 - HE2 LYS 75 - HG2 LYS 83 lone 5 99 - 5 - HE2 LYS 32 - HG2 LYS 85 lone 4 91 - 5 - HE3 LYS 32 - HG2 LYS 85 lone 4 91 - 5 - HE3 LYS 73 - HG2 LYS 83 lone 4 100 - 4 - HE2 LYS 73 - HG2 LYS 83 lone 4 100 - 4 - HB3 TYR 81 - HG3 LYS 73 lone 4 47 - 8 - 2.5/4685=2, ~4683=1, 4.4/4686=1 HE2 LYS 39 - HG2 LYS 85 lone 3 61 - 4 - HE3 LYS 39 - HG2 LYS 85 lone 3 57 - 5 - HE3 LYS 13 - HG2 LYS 83 lone 2 95 - 3 - HE2 LYS 13 - HG2 LYS 83 lone 2 93 - 3 - HB3 TYR 55 - HG3 LYS 73 lone 2 69 - 4 - 3.8/5732=1 HE2 LYS 39 - HG2 LYS 83 lone 2 73 - 2 - HB3 TYR 81 - HG2 LYS 83 lone 2 68 - 3 - HE3 LYS 39 - HG2 LYS 83 lone 2 68 - 2 - HE2 LYS 32 - HG2 LYS 83 lone 2 100 - 2 - HE3 LYS 32 - HG2 LYS 83 lone 2 100 - 2 - HB3 TYR 81 - HG2 LYS 85 lone 1 57 - 2 - HB3 TYR 55 - HG2 LYS 83 lone 1 93 - 1 - HB3 TYR 55 - HG2 LYS 85 lone 1 81 - 1 - Peak 6147 from cnoeabs.peaks (1.65, 1.66, 28.76 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 75 + HD2 LYS 75 OK 92 92 - 100 HD3 LYS 75 + HD3 LYS 75 OK 92 92 - 100 HD2 LYS 13 + HD2 LYS 13 OK 90 90 - 100 HD3 LYS 13 + HD3 LYS 13 OK 90 90 - 100 Peak 6148 from cnoeabs.peaks (8.21, 3.14, 43.10 ppm; 5.07 A): 4 out of 80 assignments used, quality = 0.95: H ARG 84 + HD2 ARG 84 OK 68 88 - 78 - 6.2=55, 843/3.5=10...(15) H ARG 84 + HD3 ARG 84 OK 67 86 - 78 - 6.2=55, 843/3.5=10...(15) H ALA 28 + HD3 ARG 27 OK 28 60 - 46 - 69/5.4=17, 71/3.5=10...(8) H ALA 28 + HD2 ARG 27 OK 28 60 - 46 - 69/5.4=17, 71/3.5=10...(8) H GLU 25 - HD2 ARG 71 OK 20 93 - 21 - 520/4.7=3, 904/5.8=2...(8) H ALA 28 - HD2 ARG 71 OK 17 100 - 17 - 5347/4.7=3, 71/3.5=2...(5) H ARG 84 - HD2 ARG 71 OK 12 90 - 13 - 4.0/3389=1 H GLU 25 - HD2 ARG 27 OK 12 51 - 24 - 3754/5.4=3, 4833/3.5=3...(7) H GLU 25 - HD3 ARG 27 OK 12 51 - 24 - 3754/5.4=3, 4833/3.5=3...(7) H ARG 84 - HD2 ARG 17 OK 11 69 - 16 - 4.0/3390=1, 3.0/5888=1...(7) H ARG 84 - HD3 ARG 17 OK 11 69 - 16 - 4.0/3390=1, 3.0/5888=1...(7) H ALA 28 - HD3 ARG 23 poor 10 71 - 14 - 69/5.2=2, 71/3.5=2...(7) H ALA 28 - HD2 ARG 23 poor 10 71 - 14 - 69/5.2=2, 71/3.5=2...(7) H ARG 84 - HD2 ARG 82 lone 8 83 - 9 - 841/4.9=1, 369/3.6=1...(4) H ALA 28 - HD3 ARG 17 lone 7 83 - 9 - 73/3.0=1, 73/3.0=1 H ALA 28 - HD2 ARG 17 lone 7 83 - 9 - 73/3.0=1, 73/3.0=1 H ALA 28 - HD2 ARG 84 lone 6 99 - 6 - H ALA 28 - HD3 ARG 84 lone 6 98 - 6 - H GLU 25 - HD3 ARG 23 lone 5 61 - 8 - 4.6/5300=1, 3754/5.2=1...(4) H GLU 25 - HD2 ARG 23 lone 5 61 - 8 - 4.6/5300=1, 3754/5.2=1...(4) H GLN 79 - HD2 ARG 82 lone 5 96 - 5 - 823/4.9=2 H ARG 84 - HD2 ARG 23 lone 4 58 - 7 - H ARG 84 - HD3 ARG 23 lone 4 58 - 7 - H GLU 25 - HD3 ARG 17 lone 4 72 - 6 - H GLU 25 - HD2 ARG 17 lone 4 72 - 6 - H THR 15 - HD2 ARG 84 lone 4 94 - 5 - 478/5.1=2 H THR 15 - HD3 ARG 84 lone 4 93 - 5 - 478/5.1=2 H GLU 25 - HD2 ARG 84 lone 4 91 - 4 - H GLU 25 - HD3 ARG 84 lone 4 89 - 4 - H ARG 84 - HD3 ARG 27 lone 4 49 - 8 - H ARG 84 - HD2 ARG 27 lone 4 49 - 8 - H SER 22 - HD3 ARG 27 lone 4 59 - 7 - H SER 22 - HD2 ARG 27 lone 4 59 - 7 - H ALA 28 - HD2 ARG 82 lone 3 96 - 4 - H SER 22 - HD2 ARG 71 lone 3 100 - 3 - H GLN 79 - HD2 ARG 84 lone 3 99 - 3 - H SER 22 - HD3 ARG 17 lone 3 82 - 4 - H SER 22 - HD2 ARG 17 lone 3 82 - 4 - H GLN 79 - HD3 ARG 84 lone 3 98 - 3 - H SER 22 - HD3 ARG 23 lone 3 70 - 4 - H SER 22 - HD2 ARG 23 lone 3 70 - 4 - H SER 22 - HD2 ARG 84 lone 3 99 - 3 - H SER 22 - HD3 ARG 84 lone 3 98 - 3 - H THR 15 - HD2 ARG 82 lone 2 90 - 3 - H SER 22 - HD2 ARG 82 lone 2 95 - 2 - H ALA 77 - HD2 ARG 71 lone 2 97 - 2 - H GLN 79 - HD2 ARG 71 lone 2 100 - 2 - H THR 15 - HD2 ARG 71 lone 2 97 - 2 - H GLU 25 - HD2 ARG 82 lone 2 86 - 2 - H ALA 77 - HD2 ARG 84 lone 2 94 - 2 - H ALA 77 - HD2 ARG 82 lone 2 90 - 2 - H ALA 77 - HD3 ARG 84 lone 2 93 - 2 - H GLN 79 - HD2 ARG 17 lone 2 83 - 2 - H GLN 79 - HD3 ARG 17 lone 2 83 - 2 - H THR 15 - HD2 ARG 17 lone 2 76 - 2 - H THR 15 - HD3 ARG 17 lone 2 76 - 2 - H THR 15 - HD3 ARG 23 lone 2 65 - 3 - H THR 15 - HD2 ARG 23 lone 2 65 - 3 - H ALA 77 - HD2 ARG 27 lone 2 54 - 3 - H ALA 77 - HD3 ARG 27 lone 2 54 - 3 - H GLN 79 - HD2 ARG 23 lone 2 71 - 2 - H GLN 79 - HD3 ARG 23 lone 2 71 - 2 - H THR 15 - HD3 ARG 27 lone 2 54 - 3 - H THR 15 - HD2 ARG 27 lone 2 54 - 3 - H ALA 77 - HD3 ARG 17 lone 2 76 - 2 - H ALA 77 - HD2 ARG 17 lone 2 76 - 2 - H GLN 79 - HD2 ARG 27 lone 1 60 - 2 - H GLN 79 - HD3 ARG 27 lone 1 60 - 2 - H ALA 77 - HD2 ARG 23 lone 1 65 - 2 - H ALA 77 - HD3 ARG 23 lone 1 65 - 2 - H ALA 12 - HD2 ARG 17 lone 1 54 - 3 - H ALA 12 - HD3 ARG 17 lone 1 54 - 3 - H ALA 12 - HD2 ARG 71 lone 1 73 - 2 - H ALA 12 - HD2 ARG 84 lone 1 71 - 2 - H ALA 12 - HD3 ARG 84 lone 1 69 - 2 - H ALA 12 - HD2 ARG 82 lone 1 66 - 2 - H ALA 12 - HD2 ARG 23 lone 1 45 - 2 - H ALA 12 - HD3 ARG 23 lone 1 45 - 2 - H ALA 12 - HD3 ARG 27 lone 1 37 - 2 - H ALA 12 - HD2 ARG 27 lone 1 37 - 2 - Peak 6149 from cnoeabs.peaks (1.77, 1.14, 27.16 ppm; 4.90 A): 3 out of 17 assignments used, quality = 0.93: HB ILE 33 + HG12 ILE 89 OK 69 100 - 69 - ~1668=12, 5560/3.2=11...(20) HB3 LYS 73 + HG12 ILE 89 OK 68 98 - 70 - 1.8/3620=10, 3.0/3619=8...(28) HB2 LYS 13 + HG12 ILE 89 OK 31 81 - 38 - ~5274=5, ~1013=3...(18) HB3 LYS 75 - HG12 ILE 89 OK 18 85 - 21 - ~5274=3, 1.8/3620=3...(8) HB2 LEU 57 - HG12 ILE 89 OK 11 100 - 11 - ~1671=2, 2435/4.5=1 HB3 LYS 39 - HG12 ILE 89 OK 11 93 - 12 - ~5274=2, ~5206=1...(5) HB2 LYS 83 - HG12 ILE 89 lone 8 95 - 8 - 4.3/3618=3 HB3 ARG 82 - HG12 ILE 89 lone 7 100 - 7 - 3.0/3619=1 HB3 ARG 17 - HG12 ILE 89 lone 7 71 - 10 - 1.8/3620=2, ~5904=1, ~3634=1 HB2 LYS 32 - HG12 ILE 89 lone 7 100 - 7 - ~5543=2 HB3 LYS 32 - HG12 ILE 89 lone 7 100 - 7 - ~5543=2 HG3 ARG 71 - HG12 ILE 89 lone 6 89 - 6 - HG3 ARG 26 - HG12 ILE 89 lone 4 83 - 5 - HB2 PRO 34 - HG12 ILE 89 lone 3 97 - 3 - HB2 LEU 62 - HG12 ILE 89 lone 3 78 - 4 - HG2 PRO 34 - HG12 ILE 89 lone 3 98 - 3 - HB2 ARG 54 - HG12 ILE 89 lone 2 100 - 2 - Peak 6150 from cnoeabs.peaks (1.57, 0.81, 12.45 ppm; 4.86 A): 8 out of 13 assignments used, quality = 0.92: HB3 LEU 86 + QD1 ILE 89 OK 49 99 - 50 - 3.0/5904=11, ~4840=6...(19) HB3 LEU 29 + QD1 ILE 89 OK 48 98 - 49 - ~4840=9, 3.0/3633=6...(15) HG LEU 86 + QD1 ILE 89 OK 32 65 - 49 - 4.3/5904=9, ~4840=8...(20) HG2 ARG 84 + QD1 ILE 89 OK 16 78 - 21 - 3.9/3633=4, 3.0/3634=3...(6) HG3 ARG 84 + QD1 ILE 89 OK 16 78 - 21 - 3.9/3633=4, 3.0/3634=3...(6) HD3 LYS 39 + QD1 ILE 89 OK 15 97 - 15 - 3.0/5274=4, ~5206=1, 3.5/5111=1 HD2 LYS 39 + QD1 ILE 89 OK 14 96 - 15 - 3.0/5274=4, ~5206=1, 3.5/5111=1 HG2 LYS 39 + QD1 ILE 89 OK 13 76 - 18 - 1.8/5274=4, ~5206=2, 2.9/5111=1 HG LEU 62 - QD1 ILE 89 lone 6 100 - 6 - HB3 LEU 62 - QD1 ILE 89 lone 5 89 - 6 - HB3 LEU 51 - QD1 ILE 89 lone 4 63 - 7 - HG3 ARG 54 - QD1 ILE 89 lone 3 100 - 3 - HB3 ARG 54 - QD1 ILE 89 lone 2 76 - 3 - Peak 6153 from cnoeabs.peaks (8.15, 4.08, 58.40 ppm; 3.38 A): 3 out of 21 assignments used, quality = 0.94: H ARG 26 + HA ARG 26 OK 67 67 - 100 - 3.0=100 H ARG 26 + HA GLU 25 OK 64 70 - 91 - 3.6=85, 904/2.9=13...(11) H ARG 27 + HA ARG 26 OK 50 56 - 90 - 3.6=85, 5380/3.0=12...(10) H ARG 26 - HA ARG 71 OK 23 81 - 28 - 526=5, 4.9/1391=3...(13) H ASN 74 - HA ARG 71 OK 16 100 - 16 - 4.0/5836=3, 4.0/5836=3...(6) H ARG 27 - HA ARG 71 OK 15 68 - 23 - 61=4, 5380/2.9=3...(8) H ARG 27 - HA GLU 25 OK 15 58 - 26 - 5380/3.6=10, 61=5...(5) H ASN 74 - HA ARG 26 OK 10 90 - 11 - 4.0/6010=3, 4.0/5836=3...(4) H ASN 74 - HA GLU 25 lone 7 93 - 8 - 5.6/6078=2, 4.0/6010=1 H THR 88 - HA ARG 26 lone 4 67 - 6 - 5380/3.6=2 H THR 88 - HA GLU 25 lone 4 70 - 6 - 904/2.9=1 H ALA 78 - HA GLU 25 lone 3 92 - 3 - H ILE 89 - HA GLU 25 lone 3 70 - 4 - H LEU 57 - HA GLU 25 lone 3 93 - 3 - H LEU 57 - HA ARG 26 lone 3 90 - 3 - H ILE 89 - HA ARG 71 lone 2 81 - 3 - H ILE 89 - HA ARG 26 lone 2 67 - 4 - H LEU 57 - HA ARG 71 lone 2 100 - 2 - H ALA 78 - HA ARG 26 lone 1 89 - 2 - H THR 88 - HA ARG 71 lone 1 81 - 1 - H ALA 78 - HA ARG 71 lone 1 100 - 1 - Peak 4529 from anoeabs.peaks (6.95, 6.94, 130.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QE PHE 35 + QE PHE 35 OK 100 100 - 100 Reference assignment not found: HZ PHE 35 - QE PHE 35 Peak 4530 from anoeabs.peaks (6.94, 6.94, 130.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 35 + QE PHE 35 OK 100 100 - 100 Peak 4531 from anoeabs.peaks (6.65, 6.94, 130.03 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 35 + QE PHE 35 OK 100 100 - 100 - 2.2=100 Peak 4532 from anoeabs.peaks (6.95, 6.95, 128.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 35 + HZ PHE 35 OK 100 100 - 100 HZ PHE 48 + HZ PHE 48 OK 94 94 - 100 Peak 4533 from anoeabs.peaks (6.94, 6.95, 128.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HZ PHE 35 + HZ PHE 35 OK 100 100 - 100 HZ PHE 48 + HZ PHE 48 OK 94 94 - 100 Reference assignment not found: QE PHE 35 - HZ PHE 35 Peak 4534 from anoeabs.peaks (6.65, 6.95, 128.72 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.97: * QD PHE 35 + HZ PHE 35 OK 94 100 - 94 - 3.8=89, 4567/4596=5...(24) QD PHE 35 + HZ PHE 48 OK 41 94 - 44 - 1757=7, ~4541=5...(20) Peak 4535 from anoeabs.peaks (4.99, 6.65, 132.79 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + QD PHE 35 OK 100 100 - 100 - 3.7=100 Peak 4536 from anoeabs.peaks (2.84, 6.65, 132.79 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.96: * HB2 PHE 35 + QD PHE 35 OK 96 96 - 100 - 2.6=100 HB3 ASP 67 - QD PHE 35 OK 25 100 - 25 - 1.8/4537=6, 2740/2.6=6...(7) HB2 ASN 74 - QD PHE 35 lone 2 60 - 3 - Peak 4537 from anoeabs.peaks (2.90, 6.65, 132.79 ppm; 2.93 A): 1 out of 4 assignments used, quality = 0.93: * HB3 PHE 35 + QD PHE 35 OK 93 93 - 100 - 2.6=100 HB2 ASP 67 - QD PHE 35 OK 23 100 - 23 - 1.8/4536=6, 2737/2.6=6...(7) HB3 PHE 48 - QD PHE 35 OK 15 91 - 17 - ~4550=3, 4518/4534=2...(8) HB2 ASN 49 - QD PHE 35 lone 5 100 - 5 - Peak 4539 from anoeabs.peaks (6.94, 6.65, 132.79 ppm; 2.56 A): 2 out of 4 assignments used, quality = 1.00: * QE PHE 35 + QD PHE 35 OK 100 100 - 100 - 2.2=100 HZ PHE 35 + QD PHE 35 OK 46 100 - 46 - 3.8=31, 4596/4567=2...(9) HZ PHE 48 - QD PHE 35 OK 23 100 - 23 - 4534=5, ~4541=2...(7) HD22 ASN 42 - QD PHE 35 OK 10 99 - 10 - 3.5/4649=1, 3.5/4649=1 Peak 4540 from anoeabs.peaks (6.65, 6.65, 132.92 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 35 + QD PHE 35 OK 99 99 - 100 Peak 4541 from anoeabs.peaks (6.95, 7.15, 131.07 ppm; 3.04 A): 2 out of 4 assignments used, quality = 1.00: * HZ PHE 48 + QE PHE 48 OK 100 100 - 100 - 2.2=100 QE PHE 35 + QE PHE 48 OK 48 100 - 49 - 2.2/4545=8, 4581/4540=7...(19) HZ PHE 35 - QE PHE 48 OK 39 100 - 39 - 4545=11, 4546/2.2=8...(12) HD22 ASN 42 - QE PHE 48 lone 9 97 - 9 - 4366/4323=1, 4550/2.2=1 Peak 4542 from anoeabs.peaks (7.15, 7.15, 131.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 48 + QE PHE 48 OK 100 100 - 100 Peak 4543 from anoeabs.peaks (7.06, 7.15, 131.07 ppm; 2.83 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 48 + QE PHE 48 OK 100 100 - 100 - 2.2=100 QD TYR 81 - QE PHE 48 OK 23 92 - 25 - 4546/2.2=3, 2148/4.4=3...(12) Peak 4544 from anoeabs.peaks (6.95, 6.95, 128.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 48 + HZ PHE 48 OK 100 100 - 100 HZ PHE 35 + HZ PHE 35 OK 94 94 - 100 Peak 4545 from anoeabs.peaks (7.15, 6.95, 128.89 ppm; 2.61 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 48 + HZ PHE 48 OK 100 100 - 100 - 2.2=100 QE PHE 48 - HZ PHE 35 OK 29 94 - 31 - 4541=6, 2.2/4546=6...(9) Peak 4546 from anoeabs.peaks (7.06, 6.95, 128.89 ppm; 3.11 A): 3 out of 4 assignments used, quality = 0.79: * QD PHE 48 + HZ PHE 48 OK 64 100 - 64 - 3.8=55, 4959/4619=3...(8) QD PHE 48 + HZ PHE 35 OK 31 93 - 33 - 2.2/4545=8, 4550/2.2=5...(8) QD TYR 81 + HZ PHE 48 OK 15 92 - 16 - 4543/2.2=6, 2148/5.8=2...(4) QD TYR 81 - HZ PHE 35 lone 4 83 - 5 - Peak 4547 from anoeabs.peaks (4.01, 7.06, 131.49 ppm; 3.85 A): 4 out of 5 assignments used, quality = 0.93: * HA PHE 48 + QD PHE 48 OK 86 86 - 100 - 3.7=100 HD2 PRO 44 + QD PHE 48 OK 31 65 - 49 - 4.8/4921=9, 2144/2.5=8...(13) HA ARG 54 + QD PHE 48 OK 20 100 - 20 - 4604/2.2=4, 5695/5361=2...(10) HB2 SER 22 + QD PHE 48 OK 12 100 - 11 - 4604/2.2=2, 4521/4625=1 HA ARG 70 - QD PHE 48 lone 9 97 - 9 - 4604/2.2=4 Peak 4548 from anoeabs.peaks (3.11, 7.06, 131.49 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.92: * HB2 PHE 48 + QD PHE 48 OK 92 92 - 100 - 2.5=100 Peak 4549 from anoeabs.peaks (2.87, 7.06, 131.49 ppm; 3.95 A): 2 out of 4 assignments used, quality = 0.99: * HB3 PHE 48 + QD PHE 48 OK 99 99 - 100 - 2.5=100 HB2 ASN 49 + QD PHE 48 OK 50 77 - 65 - 4.0/180=17, 3.0/4492=16...(15) HB2 PHE 35 - QD PHE 48 OK 39 75 - 52 - 4607/2.2=6, 2154=6...(21) HB2 ASP 67 - QD PHE 48 OK 12 77 - 16 - 178/4.5=2, 2146/2.5=2...(4) Peak 4550 from anoeabs.peaks (6.95, 7.06, 131.49 ppm; 4.25 A): 3 out of 4 assignments used, quality = 1.00: * HZ PHE 48 + QD PHE 48 OK 100 100 - 100 - 3.8=100 QE PHE 35 + QD PHE 48 OK 68 100 - 68 - 2.2/4546=13, 4541/2.2=12...(19) HZ PHE 35 + QD PHE 48 OK 51 100 - 52 - 4546=14, 4545/2.2=11...(15) HD22 ASN 42 - QD PHE 48 OK 13 97 - 14 - 4541/2.2=2, 4366/5128=2...(6) Peak 4551 from anoeabs.peaks (7.15, 7.06, 131.49 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 48 + QD PHE 48 OK 100 100 - 100 - 2.2=100 Peak 4552 from anoeabs.peaks (7.06, 7.06, 131.33 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QD PHE 48 + QD PHE 48 OK 93 93 - 100 Peak 4553 from anoeabs.peaks (6.81, 6.81, 118.01 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QE TYR 55 OK 100 100 - 100 QE TYR 81 - QE TYR 81 OK 36 36 - 100 Peak 4554 from anoeabs.peaks (7.34, 6.81, 118.01 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 55 + QE TYR 55 OK 100 100 - 100 - 2.2=100 QD TYR 55 - QE TYR 81 poor 7 65 - 11 - 4558=3 Peak 4555 from anoeabs.peaks (4.90, 7.34, 134.10 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.93: * HA TYR 55 + QD TYR 55 OK 93 100 - 93 - 3.7=79, 3.0/687=27...(12) Peak 4556 from anoeabs.peaks (2.80, 7.34, 134.10 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.5=100 HB2 ASN 74 - QD TYR 55 OK 17 97 - 17 - 2369/2.5=4, 2357/3.7=2...(6) HB3 ASN 74 - QD TYR 55 OK 12 83 - 15 - 2369/2.5=3, ~2369=2...(7) Peak 4557 from anoeabs.peaks (2.94, 7.34, 134.10 ppm; 3.14 A): 1 out of 10 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.5=100 HB3 PHE 35 - QD TYR 55 OK 38 60 - 64 - 2.6/4629=22, 4.5/4658=12...(18) HE2 LYS 32 - QD TYR 55 OK 15 93 - 16 - 2364/2.5=2, 4641/2.2=2...(8) HE3 LYS 32 - QD TYR 55 OK 14 92 - 16 - 2364/2.5=2, 4641/2.2=1...(8) HE3 LYS 73 - QD TYR 55 lone 6 94 - 6 - HE2 LYS 73 - QD TYR 55 lone 6 93 - 6 - HE3 LYS 75 - QD TYR 55 lone 4 81 - 5 - HE2 LYS 75 - QD TYR 55 lone 4 78 - 5 - HE3 LYS 13 - QD TYR 55 lone 1 65 - 2 - HE2 LYS 13 - QD TYR 55 lone 1 63 - 2 - Peak 4558 from anoeabs.peaks (6.81, 7.34, 134.10 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 - 100 - 2.2=100 HE22 GLN 61 - QD TYR 55 OK 15 89 - 17 - 5713/4.4=2, 5714/2.5=2...(5) QE TYR 81 - QD TYR 55 poor 8 65 - 12 - 4554=3 Peak 4559 from anoeabs.peaks (7.34, 7.34, 134.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + QD TYR 55 OK 100 100 - 100 Peak 4560 from anoeabs.peaks (1.88, 6.65, 132.79 ppm; 3.63 A): 2 out of 12 assignments used, quality = 0.94: HB3 PRO 34 + QD PHE 35 OK 81 96 - 84 - 2.3/4243=25, 2.3/4242=22...(23) HG12 ILE 40 + QD PHE 35 OK 69 82 - 84 - 2.1/4318=26, 1.8/4320=19...(22) HB2 LYS 39 - QD PHE 35 OK 28 57 - 50 - 2.9/5939=16, 4.4/5609=12...(12) HB ILE 68 - QD PHE 35 OK 26 95 - 27 - 5246/4318=5, 4573/2.2=3...(14) HB2 ARG 66 - QD PHE 35 OK 18 98 - 19 - 4573/2.2=4, ~4688=4...(5) HB3 PRO 14 - QD PHE 35 OK 11 100 - 11 - ~4570=3, 4573/2.2=1 HB3 ARG 26 - QD PHE 35 lone 6 100 - 6 - HB2 ARG 26 - QD PHE 35 lone 6 99 - 6 - HB2 MET 11 - QD PHE 35 lone 5 100 - 5 - HB2 GLN 91 - QD PHE 35 lone 2 95 - 2 - HB3 GLU 87 - QD PHE 35 lone 1 75 - 2 - HB2 GLU 19 - QD PHE 35 lone 1 70 - 2 - Peak 4561 from anoeabs.peaks (1.76, 6.65, 132.79 ppm; 3.56 A): 4 out of 15 assignments used, quality = 1.00: HG2 PRO 34 + QD PHE 35 OK 88 100 - 88 - 1.8/4243=26, 4242=23...(29) HB ILE 33 + QD PHE 35 OK 78 95 - 82 - 2.1/4567=31, ~4583=18...(24) HB2 PRO 34 + QD PHE 35 OK 65 75 - 86 - 2.3/4243=24, 2.3/4242=21...(27) HB2 LEU 57 + QD PHE 35 OK 51 97 - 52 - 3.1/5742=15, ~4579=6...(15) HB2 ARG 54 - QD PHE 35 OK 38 98 - 39 - 5707=10, 5144/4534=5...(11) HB3 LYS 39 - QD PHE 35 OK 32 68 - 47 - 2.9/5939=15, 4.4/5609=11...(9) HB2 LEU 62 - QD PHE 35 OK 16 97 - 16 - 3.1/4564=2, 2572/4267=2...(5) HB3 LYS 32 - QD PHE 35 poor 9 88 - 11 - HB2 LYS 32 - QD PHE 35 poor 9 88 - 11 - HG3 ARG 26 - QD PHE 35 lone 4 98 - 4 - HB3 LYS 73 - QD PHE 35 lone 4 80 - 5 - HB3 ARG 82 - QD PHE 35 lone 3 98 - 3 - HG3 ARG 71 - QD PHE 35 lone 3 99 - 3 - HB3 ARG 17 - QD PHE 35 lone 2 94 - 2 - HB2 LYS 83 - QD PHE 35 lone 1 70 - 2 - Peak 4562 from anoeabs.peaks (1.20, 6.65, 132.79 ppm; 3.52 A): 4 out of 6 assignments used, quality = 0.96: HG13 ILE 33 + QD PHE 35 OK 62 90 - 69 - 3.2/4567=24, 2.1/4565=13...(15) HG LEU 52 + QD PHE 35 OK 57 98 - 58 - ~4581=17, 2.1/6096=15...(11) QG2 VAL 65 + QD PHE 35 OK 55 98 - 57 - 2.1/5031=16, 4717/2.2=12...(16) HG13 ILE 40 + QD PHE 35 OK 50 62 - 80 - 2.1/4318=24, 1.8/4322=18...(22) QG1 VAL 65 - QD PHE 35 OK 28 60 - 47 - 5031=10, 4719/2.2=8...(14) QG2 THR 15 - QD PHE 35 lone 2 95 - 2 - Peak 4563 from anoeabs.peaks (1.03, 6.65, 132.79 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.94: QD1 ILE 40 + QD PHE 35 OK 80 99 - 81 - 4318=20, 4577/2.2=15...(27) HG3 PRO 34 + QD PHE 35 OK 68 86 - 79 - 4243=17, 1.8/4242=16...(31) Peak 4564 from anoeabs.peaks (0.90, 6.65, 132.79 ppm; 4.09 A): 1 out of 9 assignments used, quality = 0.94: HG LEU 51 + QD PHE 35 OK 94 100 - 94 - 2.1/4568=40, 2.1/4534=37...(21) HG12 ILE 68 - QD PHE 35 OK 19 70 - 27 - ~5975=4, 2.9/4560=4...(11) QD1 LEU 62 - QD PHE 35 OK 17 78 - 22 - 4952/6096=3, ~4578=3...(8) QD1 LEU 86 - QD PHE 35 OK 12 98 - 12 - 2248/4534=2, 2241/4568=2...(4) QD1 LEU 29 - QD PHE 35 lone 8 90 - 9 - 2241/4568=2, 2248/4534=2 QG2 VAL 90 - QD PHE 35 lone 5 100 - 5 - QG1 VAL 90 - QD PHE 35 lone 5 100 - 5 - QG2 VAL 76 - QD PHE 35 lone 4 70 - 6 - QG1 VAL 76 - QD PHE 35 lone 4 70 - 6 - Peak 4565 from anoeabs.peaks (0.70, 6.65, 132.79 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + QD PHE 35 OK 92 100 - 92 - 3.2/4567=34, 4579/2.2=23...(30) QD2 LEU 57 + QD PHE 35 OK 87 98 - 88 - 5742=28, 4579/2.2=21...(29) Peak 4566 from anoeabs.peaks (0.59, 6.65, 132.79 ppm; 3.93 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4567 from anoeabs.peaks (0.28, 6.65, 132.79 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.52: QG2 ILE 33 + QD PHE 35 OK 52 60 - 88 - 4583/2.2=33, 4208=15...(27) Peak 4568 from anoeabs.peaks (0.18, 6.65, 132.79 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.88: QD2 LEU 51 + QD PHE 35 OK 88 93 - 95 - 2.1/4534=32, 4584/2.2=31...(27) Peak 4570 from anoeabs.peaks (3.80, 6.94, 130.03 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.81: HA LEU 52 + QE PHE 35 OK 77 99 - 77 - 3.9/4581=31, 3.9/4582=26...(13) HD2 PRO 14 + QE PHE 35 OK 20 95 - 21 - 2287/4581=4, 2280/4582=3...(8) Peak 4571 from anoeabs.peaks (2.94, 6.94, 130.03 ppm; 4.64 A): 2 out of 10 assignments used, quality = 0.99: HB3 TYR 55 + QE PHE 35 OK 97 100 - 97 - 2.5/4658=41, 5716/2.2=40...(23) HB3 PHE 35 + QE PHE 35 OK 60 60 - 100 - 4.5=100 HE2 LYS 32 - QE PHE 35 lone 8 93 - 8 - 2376/4658=1 HE3 LYS 32 - QE PHE 35 lone 7 92 - 8 - 2376/4658=1 HE3 LYS 73 - QE PHE 35 lone 5 95 - 5 - HE2 LYS 73 - QE PHE 35 lone 5 93 - 5 - HE3 LYS 75 - QE PHE 35 lone 3 81 - 4 - HE2 LYS 75 - QE PHE 35 lone 3 78 - 4 - HE3 LYS 13 - QE PHE 35 lone 2 65 - 2 - HE2 LYS 13 - QE PHE 35 lone 2 63 - 2 - Peak 4572 from anoeabs.peaks (2.79, 6.94, 130.03 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.92: HB2 TYR 55 + QE PHE 35 OK 92 99 - 94 - 2.5/4658=37, ~5716=25...(21) HB2 ASN 74 - QE PHE 35 lone 8 87 - 9 - 2375/4658=2, 5152/4579=1 HB3 ASN 74 - QE PHE 35 lone 7 96 - 8 - 2375/4658=2 Peak 4573 from anoeabs.peaks (1.89, 6.94, 130.03 ppm; 4.27 A): 2 out of 11 assignments used, quality = 0.98: HG12 ILE 40 + QE PHE 35 OK 88 93 - 94 - 4322/2.2=27, 2.1/4577=24...(31) HB3 PRO 34 + QE PHE 35 OK 81 89 - 92 - ~4243=22, ~4242=20...(27) HB2 ARG 66 - QE PHE 35 OK 40 92 - 44 - 3.0/4735=8, 1.8/4688=7...(12) HB ILE 68 - QE PHE 35 OK 31 99 - 31 - 5246/4577=5, 4560/2.2=4...(12) HB3 PRO 14 - QE PHE 35 OK 16 100 - 16 - 3.0/4570=6, 4560/2.2=2 HB2 MET 11 - QE PHE 35 lone 9 99 - 9 - 3.0/4713=1, ~4689=1 HB3 ARG 26 - QE PHE 35 lone 7 97 - 7 - 4560/2.2=1 HB2 ARG 26 - QE PHE 35 lone 7 97 - 7 - 4560/2.2=1 HB2 GLN 91 - QE PHE 35 lone 3 99 - 2 - HB3 GLU 87 - QE PHE 35 lone 2 89 - 2 - HB2 GLU 19 - QE PHE 35 lone 2 85 - 2 - Peak 4574 from anoeabs.peaks (1.76, 6.94, 130.03 ppm; 4.52 A): 5 out of 17 assignments used, quality = 1.00: HG2 PRO 34 + QE PHE 35 OK 97 100 - 97 - 4242/2.2=35, ~4243=28...(32) HB ILE 33 + QE PHE 35 OK 95 99 - 96 - 2.1/4583=45, ~4567=29...(31) HB2 PRO 34 + QE PHE 35 OK 81 85 - 95 - ~4243=25, ~4242=23...(32) HB2 LEU 57 + QE PHE 35 OK 80 99 - 80 - 3.1/4579=19, 3.1/4577=18...(19) HB2 ARG 54 + QE PHE 35 OK 49 100 - 49 - 5707/2.2=17, 4.6/4974=10...(8) HB3 LYS 39 - QE PHE 35 OK 39 78 - 50 - ~5939=18, ~5940=15...(8) HB2 LEU 62 - QE PHE 35 OK 23 93 - 25 - 3.1/4578=4, 4954/4581=2...(8) HB3 LYS 32 - QE PHE 35 OK 16 95 - 17 - 4247/4658=1, 1660/4583=1...(4) HB2 LYS 32 - QE PHE 35 OK 16 95 - 17 - 4247/4658=1, 1660/4583=1...(4) HB3 LYS 73 - QE PHE 35 lone 7 89 - 8 - 5205/4584=1 HB3 LYS 75 - QE PHE 35 lone 6 65 - 10 - ~5940=3, 5205/4584=2 HG3 ARG 26 - QE PHE 35 lone 6 96 - 6 - HB2 LYS 13 - QE PHE 35 lone 6 60 - 9 - 4.8/4570=5 HB3 ARG 82 - QE PHE 35 lone 5 100 - 5 - HG3 ARG 71 - QE PHE 35 lone 4 98 - 4 - HB3 ARG 17 - QE PHE 35 lone 3 89 - 3 - HB2 LYS 83 - QE PHE 35 lone 2 81 - 3 - Peak 4576 from anoeabs.peaks (1.21, 6.94, 130.03 ppm; 3.09 A): 4 out of 6 assignments used, quality = 0.98: HG LEU 52 + QE PHE 35 OK 69 98 - 70 - 2.1/4581=24, 2.1/4582=16...(16) QG2 VAL 65 + QE PHE 35 OK 63 99 - 64 - 4717=13, 2.1/4719=10...(21) HG13 ILE 33 + QE PHE 35 OK 62 92 - 68 - 3.2/4583=19, 2.1/4579=14...(19) HG13 ILE 40 + QE PHE 35 OK 47 65 - 72 - 2.1/4577=16, ~4318=11...(25) QG1 VAL 65 - QE PHE 35 OK 34 63 - 55 - 4719=10, 2.1/4717=10...(21) QG2 THR 15 - QE PHE 35 lone 2 95 - 2 - Peak 4577 from anoeabs.peaks (1.01, 6.94, 130.03 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.87: QD1 ILE 40 + QE PHE 35 OK 69 89 - 77 - 4318/2.2=17, ~4322=10...(34) QD1 LEU 57 + QE PHE 35 OK 58 87 - 67 - 2.1/4579=13, 4617=11...(22) QG1 VAL 45 - QE PHE 35 lone 6 63 - 9 - 2462/4579=1 Peak 4578 from anoeabs.peaks (0.91, 6.94, 130.03 ppm; 3.91 A): 2 out of 10 assignments used, quality = 0.95: QG2 ILE 40 + QE PHE 35 OK 82 90 - 90 - 3.0/4577=19, ~4318=15...(36) HG LEU 51 + QE PHE 35 OK 70 78 - 90 - 2.1/4584=35, 2.1/4580=33...(15) QD2 LEU 62 - QE PHE 35 OK 33 90 - 36 - 5237/4581=11...(10) QG2 VAL 41 - QE PHE 35 OK 25 81 - 31 - 2.1/4688=5, 4329=4...(10) HG12 ILE 68 - QE PHE 35 OK 23 99 - 23 - 1.8/4688=3, 2.9/4573=3...(9) QG2 VAL 76 - QE PHE 35 lone 7 99 - 7 - QG1 VAL 76 - QE PHE 35 lone 7 99 - 7 - QD1 LEU 86 - QE PHE 35 lone 5 68 - 8 - 4564/2.2=2, 2241/4584=1 QG1 VAL 90 - QE PHE 35 lone 5 93 - 6 - QG2 VAL 90 - QE PHE 35 lone 5 92 - 6 - Peak 4579 from anoeabs.peaks (0.70, 6.94, 130.03 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.95: QD1 ILE 33 + QE PHE 35 OK 80 100 - 81 - 3.2/4583=24, 4565/2.2=12...(30) QD2 LEU 57 + QE PHE 35 OK 74 99 - 76 - 2.1/4577=16, 5742/2.2=15...(23) Peak 4580 from anoeabs.peaks (0.61, 6.94, 130.03 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.83: QD1 LEU 51 + QE PHE 35 OK 83 87 - 95 - 2.1/4584=38, 4534/2.2=32...(22) Peak 4581 from anoeabs.peaks (0.51, 6.94, 130.03 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 52 + QE PHE 35 OK 85 100 - 85 - 2.1/4582=26, 4594/2.2=20...(22) Peak 4582 from anoeabs.peaks (0.44, 6.94, 130.03 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 52 + QE PHE 35 OK 92 99 - 93 - 2.1/4581=45, 4595/2.2=23...(20) Peak 4583 from anoeabs.peaks (0.29, 6.94, 130.03 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.69: QG2 ILE 33 + QE PHE 35 OK 69 81 - 85 - 4567/2.2=32, 4596/2.2=15...(28) Peak 4584 from anoeabs.peaks (0.18, 6.94, 130.03 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.87: QD2 LEU 51 + QE PHE 35 OK 87 97 - 90 - 4568/2.2=37, 2.1/4580=33...(20) Peak 4585 from anoeabs.peaks (3.95, 6.95, 128.72 ppm; 4.16 A): 7 out of 26 assignments used, quality = 0.82: HA THR 37 + HZ PHE 35 OK 49 96 - 51 - 4267/3.8=20, 4268/2.2=8...(9) HA THR 37 + HZ PHE 48 OK 20 87 - 23 - 4267/4534=3, 3.2/4286=3...(7) HA ARG 66 + HZ PHE 48 OK 19 52 - 36 - 6072/2.2=15, 4735=9...(4) HA LEU 62 + HZ PHE 35 OK 17 73 - 23 - 6069/4591=4, 5309/4594=4...(9) HA ARG 66 + HZ PHE 35 OK 16 60 - 26 - 4735/2.2=5, 4735=5...(7) HA LEU 62 + HZ PHE 48 OK 12 64 - 19 - 5309/4594=4, 6069/4591=2...(8) HA ALA 28 + HZ PHE 35 OK 11 97 - 12 - 4174/4212=2, 4174/4616=2...(4) HA ALA 28 - HZ PHE 48 lone 8 89 - 8 - HA GLN 61 - HZ PHE 35 lone 7 89 - 8 - 4503/4616=2, 4503/4593=1 HA VAL 76 - HZ PHE 48 lone 6 73 - 8 - HA2 GLY 72 - HZ PHE 48 lone 5 83 - 6 - 5844/5978=1 HA GLN 61 - HZ PHE 48 lone 5 79 - 6 - HA2 GLY 72 - HZ PHE 35 lone 4 92 - 5 - HA GLU 50 - HZ PHE 48 lone 4 81 - 5 - HA GLU 50 - HZ PHE 35 lone 4 90 - 5 - HA3 GLY 21 - HZ PHE 35 lone 4 100 - 4 - HA2 GLY 21 - HZ PHE 35 lone 4 100 - 4 - HA VAL 76 - HZ PHE 35 lone 4 83 - 5 - HA3 GLY 21 - HZ PHE 48 lone 4 94 - 4 - HA3 GLY 18 - HZ PHE 35 lone 4 85 - 5 - HA2 GLY 21 - HZ PHE 48 lone 4 93 - 4 - HA2 GLY 18 - HZ PHE 35 lone 4 83 - 5 - HA3 GLY 18 - HZ PHE 48 lone 4 75 - 5 - HA2 GLY 18 - HZ PHE 48 lone 3 73 - 5 - HA LYS 32 - HZ PHE 35 lone 2 60 - 3 - HA LYS 32 - HZ PHE 48 lone 2 52 - 3 - Peak 4586 from anoeabs.peaks (3.62, 6.95, 128.72 ppm; 4.27 A): 5 out of 8 assignments used, quality = 0.99: HA ILE 40 + HZ PHE 48 OK 69 83 - 83 - 5120/2.2=35, 4325/3.8=19...(17) HA ILE 40 + HZ PHE 35 OK 62 92 - 67 - 5608/3.8=17, 5121/2.2=8...(20) HA VAL 65 + HZ PHE 48 OK 58 86 - 67 - ~4718=20, ~4716=15...(10) HA ARG 69 + HZ PHE 48 OK 49 88 - 56 - ~5979=14, 4606/2.2=10...(12) HA VAL 65 + HZ PHE 35 OK 46 95 - 49 - 3.2/4719=10, 3.2/4717=10...(10) HA ARG 69 - HZ PHE 35 OK 24 97 - 25 - 3.0/5978=4, ~5978=3...(7) HD3 PRO 14 - HZ PHE 35 OK 13 100 - 13 - ~4570=5, ~4573=1 HD3 PRO 14 - HZ PHE 48 OK 11 94 - 11 - 4606/2.2=3, 4621/3.8=1 Peak 4588 from anoeabs.peaks (1.91, 6.95, 128.72 ppm; 4.59 A): 2 out of 24 assignments used, quality = 0.98: HG12 ILE 40 + HZ PHE 48 OK 87 93 - 94 - 5617/2.2=31, ~4316=24...(19) HG12 ILE 40 + HZ PHE 35 OK 84 100 - 84 - 4322/3.8=26, ~4577=17...(22) HB VAL 41 - HZ PHE 35 OK 29 81 - 36 - 2.1/4329=6, 5628/2.2=5...(9) HB ILE 68 - HZ PHE 35 OK 23 96 - 24 - 4573/2.2=3, 5246/4317=2...(6) HG13 ILE 68 - HZ PHE 35 OK 19 92 - 21 - 5975/5.8=4, ~4578=3...(4) HB VAL 41 - HZ PHE 48 OK 16 71 - 23 - 2.1/4329=5, 5628=3...(6) HB ILE 68 - HZ PHE 48 OK 15 87 - 18 - 5246/4317=3, ~4612=2...(8) HG13 ILE 68 - HZ PHE 48 OK 14 83 - 17 - ~4612=3, 5975/5.8=2...(5) HB3 PRO 14 - HZ PHE 35 OK 10 78 - 13 - ~4570=4, 4573/2.2=2, 3.0/4586=1 HB2 MET 11 - HZ PHE 35 lone 6 73 - 8 - 3.0/4689=2, ~4713=1 HB3 PRO 14 - HZ PHE 48 lone 6 69 - 8 - ~4606=1, 3.0/4586=1 HB2 MET 11 - HZ PHE 48 lone 5 64 - 7 - 3.0/4689=2 HB2 MET 31 - HZ PHE 35 lone 4 65 - 7 - 6120/4616=2, 6120/4593=1 HB3 ARG 26 - HZ PHE 35 lone 3 63 - 5 - HB2 ARG 26 - HZ PHE 35 lone 3 60 - 5 - HB2 GLU 19 - HZ PHE 35 lone 2 100 - 2 - HB3 GLU 87 - HZ PHE 35 lone 2 100 - 2 - HB2 MET 31 - HZ PHE 48 lone 2 57 - 4 - HB2 GLN 91 - HZ PHE 35 lone 2 96 - 2 - HB2 GLU 19 - HZ PHE 48 lone 2 94 - 2 - HB3 GLU 87 - HZ PHE 48 lone 2 94 - 2 - HB3 ARG 26 - HZ PHE 48 lone 2 54 - 3 - HB2 ARG 26 - HZ PHE 48 lone 2 52 - 3 - HB2 GLN 91 - HZ PHE 48 lone 2 87 - 2 - Peak 4589 from anoeabs.peaks (1.72, 6.95, 128.72 ppm; 4.61 A): 3 out of 22 assignments used, quality = 0.75: HB2 LEU 43 + HZ PHE 48 OK 42 92 - 46 - 4921/3.8=16, 4382/5.8=11...(8) HG3 ARG 66 + HZ PHE 48 OK 37 66 - 56 - 5966/2.2=21, 1.8/5969=12...(10) HG3 ARG 66 + HZ PHE 35 OK 30 76 - 40 - 1.8/5969=7, 5967/2.2=7...(9) HB2 LEU 29 - HZ PHE 48 poor 10 94 - 10 - 4471/5.8=3, 4475/5.8=2...(4) HB2 LEU 43 - HZ PHE 35 lone 10 99 - 10 - 4382/5.8=3, 4921/4546=2 HB3 LEU 64 - HZ PHE 48 poor 8 71 - 12 - 4471/5.8=2, 4463/7.2=1 HB2 LEU 62 - HZ PHE 35 poor 8 63 - 13 - ~4578=3, 3.0/4585=3...(4) HB2 LEU 62 - HZ PHE 48 poor 8 54 - 14 - ~4612=3, 3.1/4617=3, 3.0/4585=2 HB3 LEU 64 - HZ PHE 35 lone 8 81 - 9 - 5026/4616=2, 5026/4212=2 HG2 ARG 70 - HZ PHE 48 lone 7 89 - 7 - 4.0/4605=1, 2679/4735=1, ~5971=1 HB3 LYS 85 - HZ PHE 48 lone 5 93 - 5 - HB2 ARG 84 - HZ PHE 48 lone 5 91 - 5 - HG2 ARG 70 - HZ PHE 35 lone 4 97 - 4 - HB2 LEU 29 - HZ PHE 35 lone 3 100 - 3 - HB3 LYS 83 - HZ PHE 48 lone 3 94 - 3 - HB3 LYS 85 - HZ PHE 35 lone 2 100 - 2 - HB3 LYS 83 - HZ PHE 35 lone 2 100 - 2 - HB2 ARG 84 - HZ PHE 35 lone 2 99 - 2 - HB2 ARG 82 - HZ PHE 35 lone 2 73 - 2 - HB2 ARG 82 - HZ PHE 48 lone 1 64 - 2 - HB3 ARG 17 - HZ PHE 48 lone 1 62 - 2 - HB3 ARG 17 - HZ PHE 35 lone 1 71 - 2 - Peak 4590 from anoeabs.peaks (1.22, 6.95, 128.72 ppm; 2.81 A): 6 out of 14 assignments used, quality = 0.96: QG2 VAL 65 + HZ PHE 48 OK 43 94 - 46 - ~4718=11, 2.1/4719=9...(12) QG2 VAL 65 + HZ PHE 35 OK 42 100 - 42 - 4717/2.2=8, 4717=7...(13) HG13 ILE 40 + HZ PHE 48 OK 42 81 - 51 - ~4316=8, ~5617=7...(16) HG LEU 52 + HZ PHE 35 OK 41 83 - 50 - 2.1/4594=12, 2.1/4595=11...(10) QG1 VAL 65 + HZ PHE 48 OK 40 79 - 50 - 4718/2.2=17, 4719=11...(12) HG LEU 52 + HZ PHE 48 OK 40 73 - 54 - 2.1/4594=11, 2.1/4595=10...(10) QG1 VAL 65 - HZ PHE 35 OK 39 89 - 45 - 4719=8, 4719/2.2=8...(13) HG13 ILE 40 - HZ PHE 35 OK 39 90 - 43 - 4320/3.8=7, ~4577=6...(16) HG13 ILE 33 - HZ PHE 35 OK 38 100 - 38 - ~4583=7, 3.2/4596=7...(9) HG2 ARG 69 - HZ PHE 48 OK 21 62 - 35 - ~4784=6, ~5979=5...(13) HG13 ILE 33 - HZ PHE 48 OK 10 93 - 11 - 3.2/4596=3, 2.1/4593=2 HG2 ARG 69 - HZ PHE 35 poor 8 71 - 11 - 1.8/4652=1, 3.0/5978=1, ~5978=1 QG2 THR 15 - HZ PHE 35 lone 1 73 - 1 - QG2 THR 15 - HZ PHE 48 lone 1 64 - 1 - Peak 4591 from anoeabs.peaks (0.99, 6.95, 128.72 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.86: QD1 LEU 57 + HZ PHE 35 OK 68 98 - 69 - 4617=18, 4617/2.2=14...(19) QG1 VAL 45 + HZ PHE 48 OK 30 94 - 32 - ~5652=14, 5656/3.8=12...(5) QD1 LEU 57 + HZ PHE 48 OK 29 90 - 32 - 4617=9, 4613/4594=6...(9) QG1 VAL 45 + HZ PHE 35 OK 10 100 - 10 - 5656/4546=1, 4554/4594=1 Peak 4592 from anoeabs.peaks (0.90, 6.95, 128.72 ppm; 3.96 A): 4 out of 22 assignments used, quality = 0.94: HG LEU 51 + HZ PHE 35 OK 70 97 - 72 - ~4584=21, ~4580=21...(12) QG2 ILE 40 + HZ PHE 48 OK 46 54 - 86 - 4323/2.2=23, ~5612=16...(19) QG2 ILE 40 + HZ PHE 35 OK 41 63 - 66 - 4578/2.2=10, ~4577=10...(21) HG LEU 51 + HZ PHE 48 OK 34 89 - 38 - ~6095=16, 2.1/4597=9...(7) HG12 ILE 68 - HZ PHE 35 OK 16 85 - 19 - 4578/2.2=3, 4564/3.8=3...(6) QD2 LEU 62 - HZ PHE 35 OK 13 63 - 21 - 5237/4594=5, 4680/4595=4...(5) QD2 LEU 62 - HZ PHE 48 OK 10 54 - 19 - 5237/4594=4, 4680/4619=4...(4) QD1 LEU 62 - HZ PHE 35 poor 10 63 - 16 - ~4578=3, 4952/4594=3...(4) HG12 ILE 68 - HZ PHE 48 poor 9 75 - 12 - 4612/2.2=2, 1.8/4588=1 QD1 LEU 62 - HZ PHE 48 poor 7 54 - 13 - ~4612=3, 4952/4594=2, 4.0/4585=1 QG2 VAL 76 - HZ PHE 48 lone 6 75 - 8 - 3.2/4605=1, ~4612=1, ~4604=1 QG1 VAL 76 - HZ PHE 48 lone 6 75 - 8 - 3.2/4605=1, ~4612=1, ~4604=1 QD1 LEU 86 - HZ PHE 35 lone 6 93 - 6 - 4564/3.8=2 QG2 VAL 76 - HZ PHE 35 lone 5 85 - 6 - QG1 VAL 76 - HZ PHE 35 lone 5 85 - 6 - QG1 VAL 90 - HZ PHE 35 lone 4 100 - 4 - QG2 VAL 90 - HZ PHE 35 lone 4 100 - 4 - QD1 LEU 29 - HZ PHE 35 lone 4 78 - 5 - 4564/3.8=1 QD1 LEU 29 - HZ PHE 48 lone 4 69 - 5 - 3.1/4589=1 QD1 LEU 86 - HZ PHE 48 lone 3 84 - 4 - QG1 VAL 90 - HZ PHE 48 lone 3 94 - 3 - QG2 VAL 90 - HZ PHE 48 lone 3 94 - 3 - Peak 4593 from anoeabs.peaks (0.70, 6.95, 128.72 ppm; 4.39 A): 2 out of 4 assignments used, quality = 0.96: QD1 ILE 33 + HZ PHE 35 OK 80 97 - 82 - 4579/2.2=23, ~4583=21...(23) QD2 LEU 57 + HZ PHE 35 OK 79 93 - 85 - 2.1/4591=21, 4579/2.2=21...(23) QD1 ILE 33 - HZ PHE 48 OK 34 89 - 38 - 3.2/4596=9, 4212=7...(14) QD2 LEU 57 - HZ PHE 48 OK 33 84 - 39 - 2.1/4591=9, 4616=7...(9) Peak 4594 from anoeabs.peaks (0.50, 6.95, 128.72 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.91: QD2 LEU 52 + HZ PHE 35 OK 73 98 - 75 - 4581/2.2=28, 2.1/4595=16...(16) QD2 LEU 52 + HZ PHE 48 OK 67 90 - 75 - 4540/2.2=25, ~4538=16...(14) Peak 4595 from anoeabs.peaks (0.43, 6.95, 128.72 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 52 + HZ PHE 35 OK 66 95 - 70 - 4582/2.2=22, 2.1/4594=19...(15) QD1 LEU 52 + HZ PHE 48 OK 65 86 - 76 - 4538/2.2=28, 2.1/4594=17...(14) Peak 4596 from anoeabs.peaks (0.29, 6.95, 128.72 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.87: QG2 ILE 33 + HZ PHE 35 OK 80 89 - 90 - 4583/2.2=46, 4567/3.8=32...(22) QG2 ILE 33 + HZ PHE 48 OK 36 79 - 45 - 4207=6, 3.2/4212=6...(17) Peak 4597 from anoeabs.peaks (0.17, 6.95, 128.72 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.90: QD2 LEU 51 + HZ PHE 35 OK 78 83 - 95 - 4584/2.2=46, 4568/3.8=39...(19) QD2 LEU 51 + HZ PHE 48 OK 56 73 - 76 - 6095/2.2=31, 4527/3.8=17...(15) Peak 4598 from anoeabs.peaks (3.55, 6.65, 132.79 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.98: HD3 PRO 34 + QD PHE 35 OK 93 99 - 94 - 2.3/4243=31, 2.3/4242=27...(29) HD3 PRO 36 + QD PHE 35 OK 75 82 - 91 - 1.8/5578=24, 4.8/4600=20...(25) Peak 4599 from anoeabs.peaks (3.88, 6.65, 132.79 ppm; 4.19 A): 3 out of 4 assignments used, quality = 1.00: HD2 PRO 36 + QD PHE 35 OK 92 97 - 95 - 4263/3.7=32, 5578=28...(29) HA ILE 33 + QD PHE 35 OK 88 99 - 89 - 3.2/4567=33, ~4583=19...(25) HA LEU 51 + QD PHE 35 OK 72 96 - 75 - 4.0/4568=28, 4.0/4534=26...(20) HB3 SER 22 - QD PHE 35 OK 18 95 - 19 - 2245/4534=3, 2238/4568=2...(5) Peak 4600 from anoeabs.peaks (6.29, 6.65, 132.79 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.72: H PHE 35 + QD PHE 35 OK 72 82 - 87 - 4.5=64, 4.8/5578=14...(16) Peak 4601 from anoeabs.peaks (7.33, 6.65, 132.79 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.94: QD TYR 55 + QD PHE 35 OK 94 98 - 95 - 4629=48, 4658/2.2=30...(29) Peak 4603 from anoeabs.peaks (8.64, 7.06, 131.49 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: H ASN 49 + QD PHE 48 OK 99 99 - 100 - 4.5=95, 177/2.5=36...(14) H VAL 45 + QD PHE 48 OK 63 77 - 82 - 3.0/4418=26, 4.0/4421=22...(12) Peak 4604 from anoeabs.peaks (4.00, 7.15, 131.07 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.66: HA ARG 66 + QE PHE 48 OK 50 81 - 62 - 6072=26, 4.1/5966=18...(11) HA ARG 54 + QE PHE 48 OK 17 97 - 18 - 4547/2.2=5, 5695/4540=4...(5) HA ARG 70 + QE PHE 48 OK 17 100 - 17 - 5244/4716=2, 4547/2.2=2...(8) HB2 SER 22 - QE PHE 48 lone 9 95 - 9 - 4547/2.2=3, 5695/4540=1 HA VAL 76 - QE PHE 48 poor 8 57 - 14 - 3.2/4612=2, 3.2/4612=2...(5) HA LYS 32 - QE PHE 48 lone 7 81 - 9 - 5695/4540=2, 5244/4716=1 Peak 4605 from anoeabs.peaks (3.98, 6.95, 128.89 ppm; 3.98 A): 2 out of 22 assignments used, quality = 0.62: HA ARG 66 + HZ PHE 48 OK 46 100 - 46 - 6072/2.2=23, 4735=13...(5) HA ARG 66 + HZ PHE 35 OK 30 94 - 32 - 4735/2.2=8, 4735=8...(8) HA VAL 76 - HZ PHE 48 lone 9 97 - 10 - 4604/2.2=2 HA ARG 70 - HZ PHE 48 lone 7 76 - 9 - 4604/2.2=3 HA ARG 54 - HZ PHE 48 poor 7 60 - 12 - 4604/2.2=3, 3.6/4974=3 HA ARG 54 - HZ PHE 35 poor 7 52 - 13 - 3.6/4974=6, 4662/4628=2...(4) HA LYS 32 - HZ PHE 48 lone 6 100 - 6 - 4604/2.2=1 HA GLN 61 - HZ PHE 35 lone 6 84 - 7 - 4503/4616=2, 4503/4212=1 HA ALA 28 - HZ PHE 35 lone 6 71 - 8 - 4174/4212=1, 2.1/4652=1 HA LYS 32 - HZ PHE 35 lone 5 94 - 5 - HA ALA 28 - HZ PHE 48 lone 5 81 - 6 - HA GLU 50 - HZ PHE 48 lone 5 92 - 5 - HA GLN 61 - HZ PHE 48 lone 5 93 - 5 - HA2 GLY 72 - HZ PHE 48 lone 5 90 - 5 - HA VAL 76 - HZ PHE 35 lone 4 88 - 5 - HA GLU 50 - HZ PHE 35 lone 4 83 - 4 - HA ARG 70 - HZ PHE 35 lone 3 66 - 5 - HA2 GLY 72 - HZ PHE 35 lone 3 81 - 4 - HA2 GLY 21 - HZ PHE 48 lone 1 65 - 2 - HA3 GLY 21 - HZ PHE 48 lone 1 63 - 2 - HA2 GLY 21 - HZ PHE 35 lone 1 57 - 2 - HA3 GLY 21 - HZ PHE 35 lone 1 54 - 2 - Peak 4606 from anoeabs.peaks (3.62, 7.15, 131.07 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.97: HA ILE 40 + QE PHE 48 OK 79 85 - 93 - 5120=42, 3.2/4323=29...(22) HA VAL 65 + QE PHE 48 OK 64 89 - 72 - 3.2/4718=30, 3.2/4716=18...(19) HA ARG 69 + QE PHE 48 OK 59 92 - 65 - 3.9/4784=15, 3.0/5979=13...(18) HD3 PRO 14 - QE PHE 48 OK 14 100 - 14 - 4621/2.2=1, 1937/4323=1...(4) Peak 4607 from anoeabs.peaks (2.87, 7.15, 131.07 ppm; 4.66 A): 2 out of 5 assignments used, quality = 0.96: HB3 PHE 48 + QE PHE 48 OK 93 93 - 100 - 4.4=100 HB2 PHE 35 + QE PHE 48 OK 46 92 - 50 - ~4534=8, 4.5/4541=8...(13) HB2 ASN 49 - QE PHE 48 OK 36 57 - 63 - 4.0/5667=25, ~4492=18...(8) HB2 ASP 67 - QE PHE 48 poor 6 57 - 11 - 4549/2.2=3, 2146/4.4=1...(5) HB3 ASP 67 - QE PHE 48 lone 6 63 - 9 - ~2158=2, ~4549=2...(4) Peak 4609 from anoeabs.peaks (2.01, 7.15, 131.07 ppm; 4.83 A): 4 out of 14 assignments used, quality = 0.99: HG2 ARG 66 + QE PHE 48 OK 72 100 - 72 - 1.8/5966=30, 4.1/6072=26...(9) HD2 ARG 69 + QE PHE 48 OK 71 81 - 88 - 3.0/4784=26, 1.8/4789=22...(20) HD3 ARG 69 + QE PHE 48 OK 71 81 - 88 - 3.0/4784=26, 1.8/4789=22...(20) HG LEU 43 + QE PHE 48 OK 57 81 - 71 - ~4370=21, ~4919=16...(13) HG2 PRO 14 - QE PHE 48 OK 11 71 - 15 - 2.3/4606=3, 5125/5120=2...(4) HG3 PRO 14 - QE PHE 48 OK 11 71 - 15 - 2.3/4606=3, 5125/5120=2...(4) HB3 MET 11 - QE PHE 48 lone 9 100 - 9 - ~4689=1, 2678/6072=1...(4) QE MET 31 - QE PHE 48 lone 6 83 - 7 - 4956/4538=1 HB3 GLN 79 - QE PHE 48 lone 5 92 - 6 - HB VAL 90 - QE PHE 48 lone 5 98 - 5 - HB3 PRO 56 - QE PHE 48 lone 2 78 - 3 - HG2 PRO 56 - QE PHE 48 lone 2 63 - 3 - HB2 GLU 87 - QE PHE 48 lone 2 78 - 2 - HB3 GLU 19 - QE PHE 48 lone 2 60 - 2 - Peak 4610 from anoeabs.peaks (1.22, 7.15, 131.07 ppm; 3.54 A): 4 out of 7 assignments used, quality = 1.00: HG13 ILE 40 + QE PHE 48 OK 79 90 - 88 - 3.2/4323=23, 2.1/4316=20...(23) QG2 VAL 65 + QE PHE 48 OK 75 100 - 75 - 2.1/4718=31, 4716=15...(23) QG1 VAL 65 + QE PHE 48 OK 70 89 - 79 - 4718=38, 2.1/4716=15...(24) HG LEU 52 + QE PHE 48 OK 69 83 - 84 - 2.1/4538=30, 2.1/4540=27...(14) HG2 ARG 69 - QE PHE 48 OK 42 71 - 59 - 1.8/4784=12, 3.0/4789=10...(18) HG13 ILE 33 - QE PHE 48 OK 22 100 - 22 - ~4596=3, ~4212=2...(10) QG2 THR 15 - QE PHE 48 lone 1 73 - 2 - Peak 4611 from anoeabs.peaks (1.03, 7.15, 131.07 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 40 + QE PHE 48 OK 99 100 - 99 - 4316=46, 3.0/4323=37...(33) HG3 PRO 34 - QE PHE 48 OK 43 98 - 44 - 4244/2.2=7, 1942/4323=6...(15) Peak 4612 from anoeabs.peaks (0.93, 7.15, 131.07 ppm; 3.98 A): 2 out of 10 assignments used, quality = 0.99: QG2 ILE 40 + QE PHE 48 OK 97 100 - 97 - 4323=48, 3.2/5120=28...(36) QD2 LEU 43 + QE PHE 48 OK 53 85 - 62 - ~4370=15, 4919/2.2=13...(16) QD2 LEU 62 - QE PHE 48 OK 39 100 - 39 - 4680/4538=13...(8) QG2 VAL 41 - QE PHE 48 OK 31 98 - 32 - 5130/5120=5, 4329/2.2=4...(14) HG12 ILE 68 - QE PHE 48 OK 25 100 - 25 - 5034/4718=3, 1960/4316=3...(11) QG2 VAL 76 - QE PHE 48 OK 14 100 - 14 - 3.2/4604=2, 4617/2.2=1 QG1 VAL 76 - QE PHE 48 OK 14 100 - 14 - 3.2/4604=2, 4617/2.2=1 QD1 LEU 64 - QE PHE 48 poor 9 60 - 16 - 4623/2.2=2, ~4624=1...(7) QG1 VAL 90 - QE PHE 48 lone 2 68 - 3 - QG2 VAL 90 - QE PHE 48 lone 2 65 - 3 - Peak 4613 from anoeabs.peaks (0.52, 7.15, 131.07 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 52 + QE PHE 48 OK 97 100 - 97 - 4540=47, 2.1/4538=43...(22) Peak 4614 from anoeabs.peaks (0.43, 7.15, 131.07 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.91: QD1 LEU 52 + QE PHE 48 OK 91 96 - 96 - 4538=48, 2.1/4540=36...(24) Peak 4615 from anoeabs.peaks (1.22, 6.95, 128.89 ppm; 2.81 A): 5 out of 14 assignments used, quality = 0.95: HG13 ILE 40 + HZ PHE 48 OK 47 90 - 52 - ~4316=8, ~5617=7...(15) QG2 VAL 65 + HZ PHE 48 OK 46 100 - 46 - ~4718=11, 2.1/4719=9...(11) HG LEU 52 + HZ PHE 48 OK 45 83 - 55 - 2.1/4618=12, 2.1/4619=11...(10) QG1 VAL 65 + HZ PHE 48 OK 45 89 - 50 - 4718/2.2=17, 4719=11...(12) QG2 VAL 65 + HZ PHE 35 OK 39 94 - 41 - 4717/2.2=8, 4717=7...(13) HG LEU 52 - HZ PHE 35 OK 35 73 - 48 - 2.1/4618=11, ~4581=10...(10) QG1 VAL 65 - HZ PHE 35 OK 35 79 - 44 - 4719=8, 4719/2.2=8...(13) HG13 ILE 40 - HZ PHE 35 OK 35 81 - 43 - 4320/3.8=7, ~4577=6...(16) HG13 ILE 33 - HZ PHE 35 OK 34 93 - 37 - ~4583=7, 3.2/4596=6...(9) HG2 ARG 69 - HZ PHE 48 OK 25 71 - 36 - ~4784=6, ~5979=5...(13) HG13 ILE 33 - HZ PHE 48 OK 11 100 - 11 - 3.2/4596=3, 2.1/4212=2 HG2 ARG 69 - HZ PHE 35 poor 7 62 - 11 - 1.8/4652=1, 3.0/5978=1, ~5978=1 QG2 THR 15 - HZ PHE 35 lone 1 64 - 1 - QG2 THR 15 - HZ PHE 48 lone 1 73 - 1 - Peak 4616 from anoeabs.peaks (1.01, 6.95, 128.89 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.95: QD1 ILE 40 + HZ PHE 48 OK 66 83 - 79 - 4316/2.2=18, ~4323=14...(21) QD1 LEU 57 + HZ PHE 35 OK 56 83 - 68 - 4577/2.2=17, 4617=16...(21) QD1 ILE 40 + HZ PHE 35 OK 55 73 - 75 - 4577/2.2=20, 4318/3.8=16...(26) QD1 LEU 57 + HZ PHE 48 OK 28 92 - 31 - 4617=7, 4613/4618=6...(10) QG1 VAL 45 - HZ PHE 48 OK 19 71 - 26 - ~5652=13, 5656/3.8=8...(4) QG1 VAL 45 - HZ PHE 35 lone 6 62 - 9 - 4577/2.2=2, 5656/4546=1 Peak 4617 from anoeabs.peaks (0.93, 6.95, 128.89 ppm; 3.72 A): 2 out of 20 assignments used, quality = 0.95: QG2 ILE 40 + HZ PHE 48 OK 87 100 - 87 - 4323/2.2=33, ~5612=14...(21) QG2 ILE 40 + HZ PHE 35 OK 60 93 - 65 - 4324/2.2=10, 4324=9...(21) QD2 LEU 62 - HZ PHE 48 OK 27 100 - 27 - 5237/4618=6, 4680/4619=6...(8) QG2 VAL 41 - HZ PHE 35 OK 25 90 - 28 - 4329/2.2=4, 4329=4...(8) QD2 LEU 43 - HZ PHE 48 OK 24 85 - 28 - 4919/3.8=8, 4612/2.2=6...(7) QD2 LEU 62 - HZ PHE 35 OK 22 93 - 24 - 5237/4618=6, 4680/4619=5...(5) QG2 VAL 41 - HZ PHE 48 OK 22 98 - 22 - 4612/2.2=3, 4329=3...(7) HG12 ILE 68 - HZ PHE 35 OK 15 93 - 17 - 4578/2.2=2, ~4688=2...(5) HG12 ILE 68 - HZ PHE 48 OK 14 100 - 14 - 4612/2.2=3, 5034/4719=1 QG2 VAL 76 - HZ PHE 48 lone 10 100 - 10 - 4612/2.2=2, 3.2/4605=1 QG1 VAL 76 - HZ PHE 48 lone 10 100 - 10 - 4612/2.2=2, 3.2/4605=1 QD2 LEU 43 - HZ PHE 35 lone 7 75 - 10 - 4916/4597=3, 4919/4546=1 QG2 VAL 76 - HZ PHE 35 lone 5 93 - 5 - QG1 VAL 76 - HZ PHE 35 lone 5 93 - 5 - QD1 LEU 64 - HZ PHE 48 lone 5 60 - 8 - 4623/3.8=1 QD1 LEU 64 - HZ PHE 35 lone 3 52 - 6 - QG1 VAL 90 - HZ PHE 35 lone 2 59 - 3 - QG1 VAL 90 - HZ PHE 48 lone 2 68 - 2 - QG2 VAL 90 - HZ PHE 35 lone 2 57 - 3 - QG2 VAL 90 - HZ PHE 48 lone 2 65 - 2 - Peak 4618 from anoeabs.peaks (0.51, 6.95, 128.89 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 52 + HZ PHE 48 OK 76 100 - 76 - 4540/2.2=26, 2.1/4619=17...(14) QD2 LEU 52 + HZ PHE 35 OK 70 94 - 75 - 4581/2.2=29, 4541=16...(17) Peak 4619 from anoeabs.peaks (0.45, 6.95, 128.89 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 52 + HZ PHE 48 OK 79 100 - 79 - 4538/2.2=31, 2.1/4618=19...(14) QD1 LEU 52 + HZ PHE 35 OK 66 93 - 71 - 4582/2.2=21, ~4581=19...(14) Peak 4621 from anoeabs.peaks (3.63, 7.06, 131.49 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 92 99 - 94 - 5120/2.2=42, 4325=38...(17) HA VAL 65 + QD PHE 48 OK 65 99 - 65 - ~4718=23, ~4716=18...(14) HA ARG 69 + QD PHE 48 OK 52 100 - 52 - ~5979=16, 4606/2.2=11...(11) HD3 PRO 14 - QD PHE 48 OK 12 97 - 13 - 4606/2.2=3, 5680/4625=1...(5) Peak 4622 from anoeabs.peaks (1.22, 7.06, 131.49 ppm; 5.76 A): 5 out of 7 assignments used, quality = 1.00: QG2 VAL 65 + QD PHE 48 OK 90 100 - 90 - 4716/2.2=45, ~4718=43...(19) HG13 ILE 40 + QD PHE 48 OK 89 90 - 99 - 5620/2.2=40, ~4316=36...(23) HG LEU 52 + QD PHE 48 OK 80 82 - 98 - 2.1/5361=42, 2.1/4959=42...(14) QG1 VAL 65 + QD PHE 48 OK 79 88 - 90 - 4718/2.2=44, ~4716=34...(18) HG2 ARG 69 + QD PHE 48 OK 61 70 - 88 - ~4784=32, ~5979=26...(16) HG13 ILE 33 - QD PHE 48 OK 29 99 - 29 - 5981/2.2=6, 2283/4959=2...(13) QG2 THR 15 - QD PHE 48 lone 4 73 - 5 - Peak 4623 from anoeabs.peaks (0.94, 7.06, 131.49 ppm; 5.28 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 40 + QD PHE 48 OK 98 98 - 100 - 4323/2.2=48, 5128=37...(32) QD2 LEU 43 + QD PHE 48 OK 94 99 - 96 - 2.1/4370=34, 4919=30...(27) QD2 LEU 62 + QD PHE 48 OK 51 98 - 52 - 4680/4959=16...(12) QG2 VAL 41 - QD PHE 48 OK 38 100 - 38 - 5130/4325=6, 4329/3.8=5...(11) QD1 LEU 64 - QD PHE 48 OK 33 88 - 37 - 4467/3.7=4, 4460/4.4=4...(14) HG12 ILE 68 - QD PHE 48 OK 30 88 - 34 - 3.2/4624=6, ~5975=5...(12) QG2 VAL 76 - QD PHE 48 OK 14 88 - 15 - 4612/2.2=2, ~4604=2...(4) QG1 VAL 76 - QD PHE 48 OK 14 88 - 15 - 4612/2.2=2, ~4604=2...(4) Peak 4624 from anoeabs.peaks (0.82, 7.06, 131.49 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.90: QD1 LEU 43 + QD PHE 48 OK 83 95 - 87 - 4370=34, 2.1/4919=16...(21) QG2 ILE 68 + QD PHE 48 OK 28 97 - 28 - 5249/5619=6, 4753/5613=4...(10) QD1 ILE 89 + QD PHE 48 OK 20 99 - 20 - ~4472=3, 3635/4370=2...(7) QG2 ILE 89 - QD PHE 48 OK 15 73 - 20 - 4935/2.5=3, 4468/3.7=3...(9) QG1 VAL 41 - QD PHE 48 OK 15 77 - 19 - ~4612=3, 2.1/4623=2...(7) QD2 LEU 64 - QD PHE 48 OK 14 65 - 22 - 4468/3.7=3, 4935/2.5=3...(10) QD2 LEU 29 - QD PHE 48 OK 12 65 - 19 - 4468/3.7=4, 4935/2.5=3...(7) QD2 LEU 86 - QD PHE 48 OK 11 91 - 11 - 4468/3.7=2, 4520/4625=2...(4) Peak 4625 from anoeabs.peaks (0.20, 7.06, 131.49 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 51 + QD PHE 48 OK 91 99 - 91 - 4527=31, 6095/2.2=30...(21) Peak 4626 from anoeabs.peaks (0.43, 7.06, 131.49 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 52 + QD PHE 48 OK 93 94 - 99 - 4614/2.2=49, 2.1/5361=42...(19) Peak 4627 from anoeabs.peaks (7.68, 7.34, 134.10 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.94: H TYR 55 + QD TYR 55 OK 91 99 - 93 - 687=49, 3.0/4555=27...(19) H GLN 61 + QD TYR 55 OK 30 100 - 30 - 2361/2.5=5, 2367/2.5=5...(12) H MET 31 - QD TYR 55 poor 9 71 - 13 - 2361/2.5=2, 2367/2.5=2 Peak 4628 from anoeabs.peaks (6.94, 7.34, 134.10 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.97: QE PHE 35 + QD TYR 55 OK 90 99 - 91 - 4658=37, 2.2/4629=33...(22) HZ PHE 35 + QD TYR 55 OK 73 99 - 74 - 2.2/4658=29, 3.8/4629=22...(18) HZ PHE 48 - QD TYR 55 OK 20 98 - 20 - 4534/4629=4, 4972/2.5=2...(9) HD22 ASN 42 - QD TYR 55 lone 9 100 - 9 - 4975/2.5=1, 4972/2.5=1 Peak 4629 from anoeabs.peaks (6.65, 7.34, 134.10 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + QD TYR 55 OK 96 100 - 96 - 4601=49, 2.2/4658=30...(29) Peak 4630 from anoeabs.peaks (3.69, 7.34, 134.10 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.97: HD2 PRO 56 + QD TYR 55 OK 83 100 - 84 - 4.6=48, 3.8/4555=23...(11) HD3 PRO 56 + QD TYR 55 OK 83 100 - 84 - 4.6=48, 3.8/4555=23...(11) HA VAL 45 - QD TYR 55 OK 11 100 - 11 - 4578/2.5=2, ~4586=2...(6) HD3 PRO 44 - QD TYR 55 lone 1 78 - 2 - Peak 4631 from anoeabs.peaks (3.80, 7.34, 134.10 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.81: HA LEU 52 + QD TYR 55 OK 75 99 - 75 - 6131=41, 4581/4.4=21...(10) HD2 PRO 14 + QD TYR 55 OK 24 94 - 26 - 5229/2.5=8, 5227/2.5=7...(5) Peak 4632 from anoeabs.peaks (3.88, 7.34, 134.10 ppm; 4.18 A): 4 out of 4 assignments used, quality = 0.94: HA LEU 51 + QD TYR 55 OK 76 97 - 79 - 4.0/4637=25, 4.0/4665=23...(20) HA ILE 33 + QD TYR 55 OK 52 99 - 52 - 4206/2.2=12, 4.1/4636=10...(20) HD2 PRO 36 + QD TYR 55 OK 33 97 - 34 - 5578/4601=10, 5577/2.5=5...(10) HB3 SER 22 + QD TYR 55 OK 21 96 - 22 - 1.8/4662=3, 5719/2.2=2...(8) Peak 4633 from anoeabs.peaks (1.75, 7.34, 134.10 ppm; 3.36 A): 4 out of 16 assignments used, quality = 0.99: HG2 PRO 34 + QD TYR 55 OK 77 100 - 77 - 4246=18, 1.8/5565=16...(25) HB2 ARG 54 + QD TYR 55 OK 75 97 - 78 - 1.8/4634=15, 4.6/687=15...(23) HB2 LEU 57 + QD TYR 55 OK 57 96 - 59 - 3.1/4636=11, 3.1/4635=6...(19) HB2 PRO 34 + QD TYR 55 OK 53 71 - 75 - 2.3/4246=17, 2.3/5565=15...(26) HB ILE 33 - QD TYR 55 OK 41 93 - 44 - 3.2/4636=8, 3.0/4632=6...(16) HB2 LYS 32 - QD TYR 55 OK 23 85 - 28 - 1.8/4247=3, 3.0/4662=2...(9) HB3 LYS 32 - QD TYR 55 OK 23 85 - 28 - 1.8/4247=3, 3.0/4662=2...(9) HB2 LEU 62 - QD TYR 55 OK 20 99 - 20 - 5777/4.4=3, 3.1/4655=3...(5) HB3 LYS 39 - QD TYR 55 OK 15 63 - 24 - 2.9/4634=5, 1.8/4666=4...(6) HB3 ARG 82 - QD TYR 55 lone 5 97 - 5 - HB3 LYS 73 - QD TYR 55 lone 5 76 - 7 - HG3 ARG 71 - QD TYR 55 lone 4 100 - 4 - HG3 ARG 26 - QD TYR 55 lone 3 99 - 3 - HB3 ARG 17 - QD TYR 55 lone 2 97 - 2 - HB2 ARG 84 - QD TYR 55 lone 2 63 - 3 - HB2 LYS 83 - QD TYR 55 lone 1 65 - 1 - Peak 4634 from anoeabs.peaks (1.54, 7.34, 134.10 ppm; 3.78 A): 3 out of 7 assignments used, quality = 0.93: HB3 ARG 54 + QD TYR 55 OK 86 99 - 87 - 4.6/687=20, 4.1/5703=19...(26) HG2 LYS 39 + QD TYR 55 OK 38 99 - 38 - 5939/4601=7, 6087/4665=6...(12) HG LEU 62 + QD TYR 55 OK 18 73 - 24 - 2.1/4655=4, ~4646=3...(9) HB3 LEU 86 - QD TYR 55 poor 9 81 - 11 - 3.1/4655=2, 3.0/5950=1 HG LEU 64 - QD TYR 55 lone 7 100 - 7 - HG2 ARG 82 - QD TYR 55 lone 5 93 - 5 - HG3 ARG 23 - QD TYR 55 lone 3 100 - 3 - Peak 4635 from anoeabs.peaks (1.02, 7.34, 134.10 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.94: HG3 PRO 34 + QD TYR 55 OK 72 81 - 90 - 1.8/4246=30, 5565=23...(26) QD1 LEU 57 + QD TYR 55 OK 54 65 - 83 - 2.1/4636=21, 5149/2.5=15...(23) QD1 ILE 40 + QD TYR 55 OK 50 99 - 51 - 4318/4629=12, 4664/2.2=9...(14) Peak 4636 from anoeabs.peaks (0.71, 7.34, 134.10 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.96: QD2 LEU 57 + QD TYR 55 OK 89 100 - 89 - 6132/3.7=20, 4587/2.5=17...(29) QD1 ILE 33 + QD TYR 55 OK 64 100 - 64 - 4213/2.2=13, 4587/2.5=11...(20) Peak 4637 from anoeabs.peaks (0.60, 7.34, 134.10 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.70: QD1 LEU 51 + QD TYR 55 OK 70 73 - 95 - 4647/2.2=36, 2.1/4665=31...(27) Peak 4638 from anoeabs.peaks (3.90, 6.81, 118.01 ppm; 4.22 A): 7 out of 14 assignments used, quality = 0.95: HA LEU 51 + QE TYR 55 OK 74 98 - 76 - 4.0/4647=26, 5142/2.2=23...(14) HA ILE 33 + QE TYR 55 OK 55 95 - 58 - 4206=13, 4.1/4213=10...(18) HD2 PRO 36 + QE TYR 55 OK 19 59 - 32 - 4.8/4642=6, 4.8/6080=6...(9) HB3 SER 22 + QE TYR 55 OK 17 99 - 17 - 4632/2.2=3, 2245/5727=2...(5) HA LEU 51 + QE TYR 81 OK 16 62 - 25 - 4.0/4648=6, 4.0/4533=6...(7) HA LEU 62 + QE TYR 55 OK 14 75 - 19 - 4.0/4646=4, 4.3/4644=2...(8) HB3 SER 22 + QE TYR 81 OK 11 63 - 17 - ~4674=4, ~5466=4...(4) HA ILE 33 - QE TYR 81 lone 5 58 - 8 - 4.8/5563=1 HA LEU 62 - QE TYR 81 lone 2 42 - 4 - HD2 PRO 36 - QE TYR 81 lone 2 32 - 5 - HA2 GLY 18 - QE TYR 55 lone 1 65 - 1 - HA3 GLY 18 - QE TYR 55 lone 1 62 - 1 - HA2 GLY 18 - QE TYR 81 lone 0 36 - 1 - HA3 GLY 18 - QE TYR 81 lone 0 34 - 1 - Peak 4639 from anoeabs.peaks (4.89, 6.81, 118.01 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.88: HA TYR 55 + QE TYR 55 OK 88 98 - 90 - 5.6=50, 4555/2.2=45...(8) HA TYR 55 - QE TYR 81 poor 8 62 - 13 - 3.7/2377=3, 3.0/5713=3...(5) Peak 4640 from anoeabs.peaks (3.02, 6.81, 118.01 ppm; 3.70 A): 5 out of 6 assignments used, quality = 0.94: HD2 ARG 54 + QE TYR 55 OK 59 95 - 62 - ~4968=10, 4565=9...(15) HD3 ARG 54 + QE TYR 55 OK 58 94 - 62 - ~4968=10, 4565=9...(15) HB2 TYR 81 + QE TYR 81 OK 35 52 - 67 - 4.4=58, ~4674=11, ~5466=10 HD2 ARG 54 + QE TYR 81 OK 25 58 - 42 - 4676/2.2=9, ~4676=5...(13) HD3 ARG 54 + QE TYR 81 OK 24 57 - 42 - 4676/2.2=9, ~4676=6...(12) HB2 TYR 81 - QE TYR 55 lone 7 88 - 8 - 2.5/6000=2, 4519/5727=1 Peak 4641 from anoeabs.peaks (2.94, 6.81, 118.01 ppm; 4.05 A): 2 out of 20 assignments used, quality = 0.95: HB3 TYR 55 + QE TYR 55 OK 91 100 - 91 - 4.4=76, 3.0/4639=24...(10) HB3 PHE 35 + QE TYR 55 OK 42 59 - 72 - 2.6/5712=26, ~4601=20...(12) HE2 LYS 32 - QE TYR 55 OK 16 92 - 18 - 4557/2.2=3, ~2376=2...(8) HE3 LYS 32 - QE TYR 55 OK 16 91 - 18 - 4557/2.2=3, ~2376=2...(8) HB3 TYR 55 - QE TYR 81 poor 10 65 - 15 - 2.5/2377=4, 3.8/5713=2...(7) HE3 LYS 73 - QE TYR 55 lone 7 94 - 8 - 4557/2.2=1 HE2 LYS 73 - QE TYR 55 lone 7 92 - 7 - 4557/2.2=1 HE3 LYS 75 - QE TYR 55 lone 5 80 - 6 - 2376/2.2=1 HE2 LYS 75 - QE TYR 55 lone 5 77 - 6 - 2376/2.2=1 HE3 LYS 73 - QE TYR 81 lone 3 57 - 5 - HB3 PHE 35 - QE TYR 81 lone 3 32 - 9 - 2.6/5712=3, 4865/4648=1 HE3 LYS 75 - QE TYR 81 lone 3 46 - 6 - ~4677=1 HE2 LYS 73 - QE TYR 81 lone 3 56 - 5 - HE2 LYS 75 - QE TYR 81 lone 3 44 - 6 - ~4677=1 HE2 LYS 32 - QE TYR 81 lone 2 56 - 3 - HE3 LYS 32 - QE TYR 81 lone 2 55 - 3 - HE3 LYS 13 - QE TYR 55 lone 2 65 - 3 - HE2 LYS 13 - QE TYR 55 lone 2 62 - 3 - HE3 LYS 13 - QE TYR 81 lone 1 36 - 2 - HE2 LYS 13 - QE TYR 81 lone 1 34 - 2 - Peak 4642 from anoeabs.peaks (2.82, 6.81, 118.01 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.88: HB2 TYR 55 + QE TYR 55 OK 74 77 - 96 - 4.4=88, 3.0/4639=27...(9) HB2 PHE 35 + QE TYR 55 OK 43 62 - 70 - 2.6/5712=29, ~4601=23...(10) HB2 ASN 74 + QE TYR 55 OK 18 95 - 19 - 2375/2.2=5, ~2375=4...(6) HB2 TYR 55 - QE TYR 81 poor 7 44 - 15 - 2.5/2377=4, 3.8/5713=3...(5) HB3 ASP 67 - QE TYR 55 lone 4 91 - 4 - 4536/5712=2 HB2 PHE 35 - QE TYR 81 lone 3 34 - 7 - 2.6/5712=3 HB3 ASP 67 - QE TYR 81 lone 1 55 - 3 - HB2 ASN 74 - QE TYR 81 lone 1 58 - 2 - Peak 4643 from anoeabs.peaks (1.77, 6.81, 118.01 ppm; 3.41 A): 3 out of 34 assignments used, quality = 0.97: HB2 ARG 54 + QE TYR 55 OK 72 100 - 72 - 4561/2.2=13, ~4563=13...(20) HG2 PRO 34 + QE TYR 55 OK 72 99 - 73 - 4246/2.2=18, ~5565=13...(20) HB2 PRO 34 + QE TYR 55 OK 61 94 - 66 - ~4246=12, ~5565=11...(17) HB ILE 33 - QE TYR 55 OK 36 100 - 36 - 3.2/4213=7, 3.0/4206=7...(12) HB2 LEU 57 - QE TYR 55 OK 34 100 - 34 - ~4989=8, ~4636=6...(9) HB2 ARG 54 - QE TYR 81 OK 23 65 - 36 - ~4684=8, 4683/2.2=6...(10) HB3 LYS 32 - QE TYR 55 OK 21 99 - 21 - 4247/2.2=3, ~4247=2...(11) HB2 LYS 32 - QE TYR 55 OK 21 99 - 21 - 4247/2.2=3, ~4247=2...(11) HB3 LYS 39 - QE TYR 55 OK 19 89 - 22 - ~4666=3, ~4634=3...(7) HB2 LEU 62 - QE TYR 55 OK 16 82 - 20 - 3.1/4646=3, ~5950=2...(10) HB3 ARG 82 - QE TYR 81 OK 11 65 - 17 - ~5868=4, 4683/2.2=3...(6) HG2 PRO 34 - QE TYR 81 poor 8 63 - 12 - 2.3/5291=2, 4683/2.2=2...(6) HB2 PRO 34 - QE TYR 81 poor 7 57 - 12 - 4683/2.2=2, 1.8/5291=2...(5) HB3 ARG 82 - QE TYR 55 lone 5 100 - 5 - HB3 LYS 73 - QE TYR 55 lone 5 96 - 5 - HB3 LYS 75 - QE TYR 55 lone 4 80 - 5 - HB3 LYS 73 - QE TYR 81 lone 4 60 - 7 - 4683/2.2=2, ~4675=1 HB3 LYS 39 - QE TYR 81 lone 4 53 - 7 - ~4684=2, 4683/2.2=1 HG3 ARG 71 - QE TYR 55 lone 3 91 - 3 - HB3 LYS 32 - QE TYR 81 lone 3 63 - 4 - HB2 LYS 32 - QE TYR 81 lone 3 63 - 4 - HG3 ARG 26 - QE TYR 55 lone 2 86 - 3 - HB ILE 33 - QE TYR 81 lone 2 65 - 3 - HB3 LYS 75 - QE TYR 81 lone 2 46 - 4 - HB2 LYS 13 - QE TYR 55 lone 2 75 - 2 - HB2 LEU 57 - QE TYR 81 lone 1 65 - 2 - HB3 ARG 17 - QE TYR 55 lone 1 75 - 2 - HB2 LEU 62 - QE TYR 81 lone 1 47 - 3 - HB2 LYS 83 - QE TYR 55 lone 1 91 - 1 - HB2 LYS 83 - QE TYR 81 lone 1 55 - 1 - HG3 ARG 71 - QE TYR 81 lone 1 55 - 1 - HG3 ARG 26 - QE TYR 81 lone 0 50 - 1 - HB2 LYS 13 - QE TYR 81 lone 0 42 - 1 - HB3 ARG 17 - QE TYR 81 lone 0 42 - 1 - Peak 4644 from anoeabs.peaks (1.55, 6.81, 118.01 ppm; 3.74 A): 3 out of 22 assignments used, quality = 0.93: HB3 ARG 54 + QE TYR 55 OK 76 99 - 77 - 4563/2.2=20, ~4561=12...(19) HG3 ARG 54 + QE TYR 55 OK 58 77 - 75 - ~4968=13, ~4563=12...(18) HG2 LYS 39 + QE TYR 55 OK 31 99 - 31 - 4634/2.2=7, 5939/5712=6...(9) HB3 ARG 54 - QE TYR 81 OK 26 64 - 40 - 4684/2.2=9, 1.8/4562=7...(11) HG LEU 62 - QE TYR 55 OK 20 95 - 21 - 2.1/4646=5, 4634/2.2=3...(9) HG3 ARG 54 - QE TYR 81 OK 17 44 - 40 - ~4684=7, 3.0/4562=6...(12) HB3 LEU 86 - QE TYR 55 lone 9 97 - 10 - 3.1/4646=2, 4634/2.2=2...(4) HD3 LYS 39 - QE TYR 55 poor 9 62 - 15 - ~4634=3, 3.5/4667=3...(7) HD2 LYS 39 - QE TYR 55 poor 9 59 - 15 - ~4634=3, 3.5/4667=3...(7) HG2 LYS 39 - QE TYR 81 poor 6 64 - 10 - 4684/2.2=2, 6087/4648=1 HG LEU 64 - QE TYR 55 lone 6 92 - 6 - 4634/2.2=1 HG2 ARG 82 - QE TYR 81 lone 4 37 - 10 - 4684/2.2=4, ~4683=2, 3.8/4678=2 HB3 LEU 29 - QE TYR 55 lone 3 67 - 4 - 3.1/4646=1 HG2 ARG 82 - QE TYR 55 lone 3 67 - 4 - HG3 ARG 23 - QE TYR 55 lone 3 94 - 3 - HD3 LYS 39 - QE TYR 81 lone 2 34 - 7 - ~4684=2 HD2 LYS 39 - QE TYR 81 lone 2 32 - 7 - ~4684=2 HG LEU 62 - QE TYR 81 lone 2 58 - 4 - HG LEU 64 - QE TYR 81 lone 1 56 - 2 - HB3 LEU 86 - QE TYR 81 lone 1 61 - 2 - HG3 ARG 23 - QE TYR 81 lone 1 57 - 2 - HB3 LEU 29 - QE TYR 81 lone 1 37 - 2 - Peak 4645 from anoeabs.peaks (1.30, 6.81, 118.01 ppm; 4.08 A): 2 out of 10 assignments used, quality = 0.95: HG2 ARG 54 + QE TYR 55 OK 81 99 - 82 - 4968/2.2=19, ~4563=15...(21) HB2 LEU 51 + QE TYR 55 OK 72 80 - 90 - 3.1/4647=30, 3.1/4648=24...(17) HG2 ARG 54 - QE TYR 81 OK 31 64 - 48 - ~4684=9, 4969=7...(12) HG2 LYS 32 - QE TYR 55 OK 17 88 - 20 - 4663/2.2=3, ~4663=2...(9) HG3 LYS 32 - QE TYR 55 OK 14 62 - 23 - 4663/2.2=3, ~4247=2...(11) HB2 LEU 51 - QE TYR 81 OK 13 46 - 29 - 3.1/4648=7, 3.1/4533=7...(6) QG2 THR 58 - QE TYR 55 lone 9 95 - 9 - 4623/6.3=3, 4663/2.2=2 HG2 LYS 32 - QE TYR 81 lone 2 52 - 4 - HG3 LYS 32 - QE TYR 81 lone 2 34 - 4 - QG2 THR 58 - QE TYR 81 lone 1 58 - 2 - Peak 4646 from anoeabs.peaks (0.87, 6.81, 118.01 ppm; 3.84 A): 3 out of 14 assignments used, quality = 0.75: HG LEU 51 + QE TYR 55 OK 65 75 - 87 - 2.1/4647=34, 2.1/4648=27...(13) QD1 LEU 62 + QE TYR 55 OK 19 99 - 19 - ~5950=3, 2.1/4644=2...(9) HG LEU 51 + QE TYR 81 OK 12 42 - 28 - 2.1/4533=7, 2.1/4648=7...(6) QD1 LEU 86 - QE TYR 55 lone 8 84 - 10 - 4655/2.2=2, 2248/5727=1...(4) QD1 LEU 29 - QE TYR 55 lone 5 96 - 5 - QD2 LEU 64 - QE TYR 55 lone 4 70 - 5 - QD2 LEU 29 - QE TYR 55 lone 3 70 - 4 - QD1 LEU 62 - QE TYR 81 lone 2 64 - 3 - QG2 ILE 89 - QE TYR 55 lone 1 62 - 2 - QD1 LEU 29 - QE TYR 81 lone 1 60 - 2 - QD1 LEU 86 - QE TYR 81 lone 1 49 - 2 - QD2 LEU 64 - QE TYR 81 lone 1 39 - 2 - QD2 LEU 29 - QE TYR 81 lone 0 39 - 1 - QG2 ILE 89 - QE TYR 81 lone 0 34 - 1 - Peak 4647 from anoeabs.peaks (0.60, 6.81, 118.01 ppm; 3.29 A): 2 out of 2 assignments used, quality = 0.62: QD1 LEU 51 + QE TYR 55 OK 57 72 - 79 - 4637/2.2=23, 4533=20...(18) QD1 LEU 51 + QE TYR 81 OK 12 41 - 28 - 4533=6, 2.1/4648=6...(9) Peak 4648 from anoeabs.peaks (0.19, 6.81, 118.01 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 51 + QE TYR 55 OK 90 100 - 91 - 2.1/4647=35, 4665/2.2=28...(16) QD2 LEU 51 + QE TYR 81 OK 25 65 - 38 - 4527/2.2=10, 2.1/4533=8...(10) Peak 4649 from anoeabs.peaks (2.74, 6.65, 132.79 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.86: HD2 PRO 34 + QD PHE 35 OK 79 82 - 96 - 2.3/4243=35, 2.3/4242=31...(29) HB2 ASN 42 + QD PHE 35 OK 20 91 - 22 - 4687/2.2=8, ~4687=6...(6) HB3 ASN 42 + QD PHE 35 OK 19 88 - 21 - 4687/2.2=8, ~4687=6...(6) HB3 ASN 80 - QD PHE 35 lone 2 93 - 2 - Peak 4650 from anoeabs.peaks (2.08, 6.65, 132.79 ppm; 4.57 A): 2 out of 9 assignments used, quality = 0.99: HG2 PRO 36 + QD PHE 35 OK 89 98 - 91 - 2.3/5578=30, 2.3/5579=22...(19) HG3 PRO 36 + QD PHE 35 OK 88 96 - 91 - 2.3/5578=30, 2.3/5579=22...(19) HB3 PRO 44 - QD PHE 35 OK 19 99 - 19 - 5573/3.7=3, 5572/2.6=3...(8) HB2 PRO 56 - QD PHE 35 OK 14 100 - 14 - 5572/2.6=2, 5573/3.7=2...(7) HG3 PRO 56 - QD PHE 35 OK 14 99 - 14 - 5572/2.6=2, 5573/3.7=2...(6) HB3 MET 31 - QD PHE 35 OK 11 93 - 12 - 4846/5742=4, 4846/5551=3 HB VAL 45 - QD PHE 35 lone 9 84 - 10 - ~4408=1, ~4577=1...(4) HB3 GLU 59 - QD PHE 35 lone 6 99 - 6 - HB2 GLU 59 - QD PHE 35 lone 6 99 - 6 - Peak 4651 from anoeabs.peaks (1.06, 7.06, 131.49 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.94: QG2 VAL 45 + QD PHE 48 OK 86 91 - 95 - 4421=39, 5652/2.2=29...(16) QD1 ILE 40 + QD PHE 48 OK 56 59 - 94 - 3.0/5128=24, ~4323=23...(18) HG3 PRO 34 - QD PHE 48 OK 24 90 - 27 - 4611/2.2=5, 4244/3.8=5...(10) Peak 4652 from anoeabs.peaks (1.37, 6.95, 128.89 ppm; 4.43 A): 4 out of 26 assignments used, quality = 0.88: HG3 ARG 69 + HZ PHE 48 OK 71 97 - 73 - 4784/2.2=23, ~5979=15...(13) HB3 ARG 69 + HZ PHE 48 OK 40 63 - 64 - ~5979=18, ~4784=15...(10) HG3 ARG 69 + HZ PHE 35 OK 23 89 - 26 - 3.0/5978=4, ~5978=3...(9) HB3 ARG 69 + HZ PHE 35 OK 12 54 - 22 - 1.8/5978=5, ~5978=4...(7) QB ALA 28 - HZ PHE 35 poor 8 54 - 15 - 4179/4596=4, 2.1/4585=2...(6) QB ALA 28 - HZ PHE 48 lone 6 63 - 10 - 4179/4596=2, 2.1/4605=1 HG3 LYS 73 - HZ PHE 48 lone 3 81 - 4 - HG2 LYS 85 - HZ PHE 48 lone 3 97 - 3 - HG3 LYS 75 - HZ PHE 48 lone 3 76 - 4 - HG2 LYS 75 - HZ PHE 48 lone 3 76 - 4 - QB ALA 53 - HZ PHE 48 lone 2 68 - 4 - HG3 LYS 73 - HZ PHE 35 lone 2 71 - 3 - HG2 LYS 75 - HZ PHE 35 lone 2 66 - 3 - HG3 LYS 75 - HZ PHE 35 lone 2 66 - 3 - QB ALA 20 - HZ PHE 48 lone 2 97 - 2 - QB ALA 53 - HZ PHE 35 lone 2 59 - 4 - QB ALA 77 - HZ PHE 48 lone 2 98 - 2 - HG2 LYS 83 - HZ PHE 48 lone 2 100 - 2 - QB ALA 20 - HZ PHE 35 lone 2 88 - 2 - QB ALA 78 - HZ PHE 48 lone 2 81 - 2 - HG2 LYS 85 - HZ PHE 35 lone 2 88 - 2 - HG2 LYS 83 - HZ PHE 35 lone 2 94 - 2 - QB ALA 77 - HZ PHE 35 lone 1 90 - 2 - QB ALA 16 - HZ PHE 35 lone 1 92 - 2 - QB ALA 16 - HZ PHE 48 lone 1 99 - 1 - QB ALA 78 - HZ PHE 35 lone 1 71 - 2 - Peak 4653 from anoeabs.peaks (1.78, 6.95, 128.89 ppm; 4.85 A): 5 out of 32 assignments used, quality = 0.99: HB2 PRO 34 + HZ PHE 35 OK 74 92 - 80 - 2.3/4244=12, ~4687=11...(18) HB2 ARG 69 + HZ PHE 48 OK 70 89 - 78 - 5979/2.2=25, ~4784=19...(14) HB ILE 33 + HZ PHE 35 OK 65 79 - 83 - ~4583=33, 2.1/4596=24...(16) HB2 LEU 57 + HZ PHE 35 OK 55 75 - 73 - 3.1/4591=18, 3.1/4616=15...(13) HG2 PRO 34 + HZ PHE 35 OK 48 59 - 81 - 4242/3.8=21, 1.8/4244=13...(21) HB2 PRO 34 - HZ PHE 48 OK 39 99 - 39 - ~4611=8, 2.3/4244=7...(9) HB ILE 33 - HZ PHE 48 OK 32 89 - 36 - 2.1/4596=11, 3.2/4212=6...(11) HB2 ARG 69 - HZ PHE 35 OK 27 79 - 35 - 5978=5, 5978/2.2=5...(11) HG2 PRO 34 - HZ PHE 48 OK 27 68 - 39 - ~4611=9, 1.8/4244=8...(10) HB2 ARG 54 - HZ PHE 35 OK 24 73 - 32 - 5707/3.8=12, 4.6/4974=7...(7) HB2 LEU 57 - HZ PHE 48 OK 19 85 - 23 - 3.1/4591=8, 3.1/4616=6...(4) HB2 ARG 54 - HZ PHE 48 OK 16 83 - 19 - ~4604=4, 4.6/4974=4...(7) HB3 LYS 39 - HZ PHE 35 OK 16 94 - 17 - 4.4/5122=6, 5205/4597=3...(4) HB3 LYS 39 - HZ PHE 48 OK 14 100 - 14 - 4.4/5122=6, 5205/4597=2 HB3 LYS 32 - HZ PHE 35 poor 10 87 - 11 - 3.0/4605=1 HB2 LYS 32 - HZ PHE 35 poor 10 87 - 11 - 3.0/4605=1 HB2 LYS 32 - HZ PHE 48 lone 8 96 - 9 - ~4604=2, 3.0/4605=2 HB3 LYS 32 - HZ PHE 48 lone 8 96 - 9 - ~4604=2, 3.0/4605=2 HB3 LYS 75 - HZ PHE 48 lone 7 100 - 7 - HB3 LYS 75 - HZ PHE 35 lone 6 94 - 7 - 5205/4597=1 HB3 LYS 73 - HZ PHE 48 lone 6 99 - 6 - HB3 LYS 73 - HZ PHE 35 lone 6 91 - 6 - HB2 LYS 13 - HZ PHE 48 lone 5 100 - 5 - HB2 LYS 13 - HZ PHE 35 lone 5 93 - 5 - HB2 LYS 85 - HZ PHE 48 lone 4 89 - 5 - HB2 LYS 83 - HZ PHE 48 lone 3 100 - 3 - HB2 LYS 83 - HZ PHE 35 lone 3 93 - 3 - HB3 ARG 84 - HZ PHE 48 lone 3 89 - 3 - HB3 ARG 82 - HZ PHE 35 lone 3 73 - 4 - HB2 LYS 85 - HZ PHE 35 lone 3 79 - 3 - HB3 ARG 82 - HZ PHE 48 lone 2 83 - 3 - HB3 ARG 84 - HZ PHE 35 lone 2 79 - 3 - Peak 4655 from anoeabs.peaks (0.89, 7.34, 134.10 ppm; 4.33 A): 1 out of 9 assignments used, quality = 0.96: HG LEU 51 + QD TYR 55 OK 96 100 - 96 - 2.1/4637=39, 2.1/4665=34...(20) QD1 LEU 62 - QD TYR 55 OK 25 87 - 29 - 2.1/5950=5, 4646/2.2=3...(13) QD1 LEU 86 - QD TYR 55 OK 16 100 - 16 - 2.1/5950=2, 2241/4665=2...(6) QD1 LEU 29 - QD TYR 55 lone 9 96 - 9 - 2241/4665=2, 2248/4531=1 QG2 VAL 90 - QD TYR 55 lone 6 99 - 6 - QG1 VAL 90 - QD TYR 55 lone 6 99 - 6 - HG12 ILE 68 - QD TYR 55 lone 5 60 - 8 - 4564/4629=2, ~4588=1 QG2 VAL 76 - QD TYR 55 lone 3 60 - 5 - QG1 VAL 76 - QD TYR 55 lone 3 60 - 5 - Peak 4657 from anoeabs.peaks (7.24, 6.65, 132.79 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.92: H ILE 40 + QD PHE 35 OK 88 100 - 89 - 5609=29, 3.0/5608=22...(17) H ALA 53 + QD PHE 35 OK 19 84 - 22 - 206/6096=8, 5307/5707=2...(9) HE ARG 54 + QD PHE 35 OK 15 68 - 21 - 4.7/5707=10, 4.7/4659=3...(6) H ASP 47 - QD PHE 35 poor 6 60 - 11 - 1957/4318=2, 1929/5615=1...(5) Peak 4658 from anoeabs.peaks (7.33, 6.94, 130.03 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.91: QD TYR 55 + QE PHE 35 OK 91 97 - 93 - 4601/2.2=38, 2.5/4572=26...(23) Peak 4659 from anoeabs.peaks (1.56, 6.65, 132.79 ppm; 4.71 A): 4 out of 11 assignments used, quality = 0.97: HG2 LYS 39 + QD PHE 35 OK 71 93 - 77 - 5939=36, 2.9/5940=19...(21) HD3 LYS 39 + QD PHE 35 OK 59 82 - 72 - 3.0/5939=28, 3.5/5940=18...(16) HD2 LYS 39 + QD PHE 35 OK 57 80 - 72 - 3.0/5939=28, 3.5/5940=18...(16) HB3 ARG 54 + QD PHE 35 OK 48 93 - 52 - 1.8/5707=19...(13) HG3 ARG 54 - QD PHE 35 OK 37 93 - 40 - 3.0/5707=16, 5950/4601=7...(10) HG LEU 62 - QD PHE 35 OK 27 100 - 27 - 2.1/4564=4, ~4578=4...(8) HB3 LEU 62 - QD PHE 35 OK 13 68 - 20 - 3.1/4564=4, ~4578=3...(5) HG LEU 64 - QD PHE 35 OK 12 78 - 16 - ~5020=4, 5325/5742=2...(4) HB3 LEU 86 - QD PHE 35 OK 12 100 - 12 - 3.1/4564=3, 6093/4534=2 HB3 LEU 29 - QD PHE 35 lone 7 86 - 8 - 3.1/4564=2 HG3 ARG 23 - QD PHE 35 lone 3 80 - 4 - Peak 4660 from anoeabs.peaks (2.02, 6.95, 128.89 ppm; 3.99 A): 3 out of 30 assignments used, quality = 0.95: HD2 ARG 69 + HZ PHE 48 OK 70 98 - 71 - 4789/2.2=14, ~4784=12...(15) HD3 ARG 69 + HZ PHE 48 OK 70 98 - 71 - 4789/2.2=14, ~4784=12...(15) HG2 ARG 66 + HZ PHE 48 OK 41 97 - 43 - ~5966=16, 1.8/5967=8...(6) HG2 ARG 66 - HZ PHE 35 OK 26 88 - 29 - 5969/2.2=6, 1.8/5967=5...(7) HD2 ARG 69 - HZ PHE 35 OK 21 90 - 23 - 3.0/4652=3, 3.9/5978=3...(12) HD3 ARG 69 - HZ PHE 35 OK 21 90 - 23 - 3.0/4652=3, 3.9/5978=3...(12) HB VAL 76 - HZ PHE 48 lone 6 76 - 8 - 3.0/4605=2, ~4604=1...(5) HB3 MET 11 - HZ PHE 48 lone 5 92 - 5 - 3.0/4689=2 HB3 MET 11 - HZ PHE 35 lone 5 83 - 6 - 3.0/4689=2 HB2 GLU 50 - HZ PHE 48 lone 4 85 - 4 - HB3 GLU 50 - HZ PHE 48 lone 4 85 - 4 - HG2 PRO 44 - HZ PHE 48 lone 3 68 - 5 - 2084/7.2=2, 4936/5.8=1 HB VAL 90 - HZ PHE 48 lone 3 100 - 3 - HB VAL 76 - HZ PHE 35 lone 3 66 - 4 - HB VAL 90 - HZ PHE 35 lone 3 94 - 3 - HB3 GLU 50 - HZ PHE 35 lone 2 75 - 3 - HB2 GLU 50 - HZ PHE 35 lone 2 75 - 3 - HB3 PRO 56 - HZ PHE 48 lone 2 97 - 2 - HG2 PRO 56 - HZ PHE 48 lone 2 90 - 2 - HB3 GLN 79 - HZ PHE 48 lone 2 65 - 2 - HB2 GLU 87 - HZ PHE 48 lone 1 97 - 1 - HB3 GLN 79 - HZ PHE 35 lone 1 57 - 2 - HB3 GLU 19 - HZ PHE 48 lone 1 89 - 1 - HB2 GLU 87 - HZ PHE 35 lone 1 89 - 1 - HB3 GLU 19 - HZ PHE 35 lone 1 79 - 1 - HG2 PRO 44 - HZ PHE 35 lone 1 59 - 2 - HB3 GLN 91 - HZ PHE 35 lone 1 75 - 1 - HB3 GLN 91 - HZ PHE 48 lone 1 85 - 1 - HB3 PRO 56 - HZ PHE 35 lone 1 89 - 1 - HG2 PRO 56 - HZ PHE 35 lone 1 81 - 1 - Peak 4662 from anoeabs.peaks (3.99, 7.34, 134.10 ppm; 4.54 A): 5 out of 9 assignments used, quality = 0.91: HA ARG 54 + QD TYR 55 OK 78 83 - 94 - 3.6/687=37, 3.0/5703=35...(25) HA LYS 32 + QD TYR 55 OK 25 97 - 26 - 3.0/4247=4, 3.0/4247=4...(12) HA GLN 61 + QD TYR 55 OK 24 76 - 31 - 3.0/4627=10, 5.7/2377=5...(9) HB2 SER 22 + QD TYR 55 OK 18 76 - 24 - 1.8/4632=5, 211/4.4=3...(9) HA ARG 66 + QD TYR 55 OK 10 97 - 11 - 4735/4658=3, ~4588=1...(5) HA ARG 70 - QD TYR 55 lone 7 93 - 8 - 211/4.4=2 HA GLU 50 - QD TYR 55 lone 5 73 - 7 - 3851/5703=2, 2524/4.4=2 HA VAL 76 - QD TYR 55 lone 5 83 - 6 - ~5855=2 HA2 GLY 72 - QD TYR 55 lone 1 71 - 2 - Peak 4663 from anoeabs.peaks (1.31, 7.34, 134.10 ppm; 4.32 A): 2 out of 7 assignments used, quality = 0.99: HG2 ARG 54 + QD TYR 55 OK 93 100 - 93 - 4.8/687=25, 4968=23...(30) HB2 LEU 51 + QD TYR 55 OK 89 94 - 95 - 3.1/4637=32, 3.1/4665=29...(24) HB2 LEU 52 - QD TYR 55 OK 36 65 - 55 - 3.0/6131=27, ~5225=10...(11) HG3 LYS 32 - QD TYR 55 OK 32 83 - 38 - 2.9/4247=4, 2.9/4247=4...(17) HG2 LYS 32 - QD TYR 55 OK 24 71 - 34 - 2.9/4247=4, 2.9/4247=4...(14) QG2 THR 58 - QD TYR 55 OK 14 100 - 14 - 4623/4.4=5, 4623/4627=2 QB ALA 12 - QD TYR 55 lone 2 73 - 3 - Peak 4664 from anoeabs.peaks (1.03, 6.81, 118.01 ppm; 4.40 A): 4 out of 4 assignments used, quality = 0.93: HG3 PRO 34 + QE TYR 55 OK 83 96 - 86 - 5565/2.2=29, ~4246=24...(20) QD1 ILE 40 + QE TYR 55 OK 46 100 - 46 - 4318/5712=11...(13) QD1 ILE 40 + QE TYR 81 OK 17 65 - 26 - 5619/2.2=8, ~5618=5...(8) HG3 PRO 34 + QE TYR 81 OK 10 60 - 17 - 2.3/5291=3, 1.8/5933=3...(8) Peak 4665 from anoeabs.peaks (0.19, 7.34, 134.10 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 51 + QD TYR 55 OK 98 100 - 98 - 2.1/4637=42, 5685=34...(26) Peak 4666 from anoeabs.peaks (1.86, 7.34, 134.10 ppm; 4.46 A): 4 out of 15 assignments used, quality = 0.93: HB3 PRO 34 + QD TYR 55 OK 84 92 - 91 - 2.3/4246=33, 2.3/5565=31...(23) HB2 LYS 39 + QD TYR 55 OK 43 100 - 44 - 2.9/4634=9, 5940/4629=8...(15) HB3 PRO 14 + QD TYR 55 OK 14 63 - 22 - 3.0/4631=8, ~5227=5...(4) HB2 LYS 75 + QD TYR 55 OK 13 90 - 14 - 5203/4637=3, 5204/4665=3 HB3 ARG 71 - QD TYR 55 lone 8 100 - 8 - 1723/4246=1 HB2 ARG 66 - QD TYR 55 lone 8 89 - 9 - 3.0/4662=2, ~4588=2, ~4584=1 HB2 ARG 71 - QD TYR 55 lone 8 99 - 8 - 1723/4246=1 HB2 ARG 26 - QD TYR 55 lone 5 81 - 6 - HB3 ARG 26 - QD TYR 55 lone 5 78 - 6 - HB3 ARG 23 - QD TYR 55 lone 4 97 - 4 - HB2 ARG 23 - QD TYR 55 lone 4 96 - 4 - HB3 ARG 27 - QD TYR 55 lone 4 100 - 4 - HB2 ARG 27 - QD TYR 55 lone 4 99 - 4 - HB2 ARG 17 - QD TYR 55 lone 2 85 - 3 - HB2 MET 11 - QD TYR 55 lone 2 68 - 3 - Peak 4667 from anoeabs.peaks (1.88, 6.81, 118.01 ppm; 4.46 A): 5 out of 32 assignments used, quality = 0.93: HB3 PRO 34 + QE TYR 55 OK 85 100 - 86 - ~4246=22, ~5565=21...(17) HB2 LYS 39 + QE TYR 55 OK 30 80 - 38 - 4666/2.2=6, 5204/4648=5...(13) HG12 ILE 40 + QE TYR 55 OK 17 59 - 29 - 2.1/4664=11, ~4635=8...(6) HB3 PRO 34 + QE TYR 81 OK 11 65 - 17 - 5291=4, 2.3/5933=3...(6) HB3 PRO 14 + QE TYR 55 OK 11 96 - 11 - ~4631=5, 4666/2.2=2 HG12 ILE 40 - QE TYR 81 poor 8 32 - 23 - ~5619=6, 2.1/4664=4...(7) HB ILE 68 - QE TYR 55 lone 6 80 - 8 - 5246/4664=2, 4560/5712=1 HB3 ARG 71 - QE TYR 55 lone 6 77 - 8 - 4666/2.2=1 HB2 ARG 71 - QE TYR 55 lone 6 75 - 8 - 4666/2.2=1 HB2 LYS 39 - QE TYR 81 poor 6 46 - 13 - ~4684=3, ~4683=2, 5204/4648=2 HB2 ARG 26 - QE TYR 55 lone 5 99 - 5 - HB3 ARG 26 - QE TYR 55 lone 5 99 - 5 - HB2 ARG 66 - QE TYR 55 lone 5 100 - 5 - ~4662=1, 4666/2.2=1 HB3 PRO 14 - QE TYR 81 lone 4 60 - 7 - ~4674=2, ~6005=1, 1107/5.7=1 HB3 ARG 27 - QE TYR 55 lone 3 77 - 4 - HB2 ARG 27 - QE TYR 55 lone 3 75 - 4 - HB2 MET 11 - QE TYR 55 lone 3 97 - 3 - HB3 ARG 23 - QE TYR 55 lone 2 62 - 4 - HB2 ARG 23 - QE TYR 55 lone 2 59 - 4 - HB2 GLN 91 - QE TYR 55 lone 2 80 - 2 - HB2 ARG 26 - QE TYR 81 lone 1 65 - 2 - HB2 ARG 66 - QE TYR 81 lone 1 65 - 2 - HB ILE 68 - QE TYR 81 lone 1 46 - 3 - HB3 ARG 26 - QE TYR 81 lone 1 64 - 2 - HB3 ARG 71 - QE TYR 81 lone 1 44 - 2 - HB2 ARG 71 - QE TYR 81 lone 1 42 - 2 - HB2 MET 11 - QE TYR 81 lone 1 61 - 2 - HB3 ARG 27 - QE TYR 81 lone 1 44 - 2 - HB2 ARG 27 - QE TYR 81 lone 1 42 - 2 - HB2 GLN 91 - QE TYR 81 lone 1 46 - 2 - HB3 ARG 23 - QE TYR 81 lone 1 34 - 2 - HB2 ARG 23 - QE TYR 81 lone 1 32 - 2 - Peak 4668 from anoeabs.peaks (7.06, 6.78, 118.00 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.88: QD TYR 81 + QE TYR 81 OK 88 88 - 100 - 2.2=100 QD PHE 48 - QE TYR 81 lone 8 99 - 8 - ~2148=2, ~4543=1...(5) Peak 4669 from anoeabs.peaks (6.78, 7.08, 132.95 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 81 + QD TYR 81 OK 100 100 - 100 - 2.2=100 Peak 4670 from anoeabs.peaks (7.07, 7.08, 132.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 81 + QD TYR 81 OK 100 100 - 100 Peak 4671 from anoeabs.peaks (7.07, 6.79, 118.00 ppm; 2.40 A): 1 out of 4 assignments used, quality = 0.98: * QD TYR 81 + QE TYR 81 OK 98 98 - 100 - 2.2=100 QD PHE 48 - QE TYR 81 lone 9 100 - 9 - ~2148=2, 5463/4.4=2...(5) QD TYR 81 - QE TYR 55 lone 4 61 - 6 - 6000=1 QD PHE 48 - QE TYR 55 lone 1 65 - 2 - 4625/4648=1 Peak 4672 from anoeabs.peaks (6.78, 6.79, 118.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QE TYR 81 + QE TYR 81 OK 99 99 - 100 Peak 4673 from anoeabs.peaks (8.03, 7.08, 132.95 ppm; 4.16 A): 2 out of 4 assignments used, quality = 0.94: H ARG 82 + QD TYR 81 OK 80 85 - 94 - 4.3=89, 3.6/4674=25...(8) H TYR 81 + QD TYR 81 OK 70 81 - 87 - 4.5=81, 3.0/4674=28, 5882/6048=2 H LYS 73 - QD TYR 81 poor 9 60 - 14 - 3.0/4675=3, 4.0/4683=2...(7) H GLN 91 - QD TYR 81 lone 2 100 - 2 - Peak 4674 from anoeabs.peaks (4.45, 7.08, 132.95 ppm; 3.13 A): 2 out of 6 assignments used, quality = 0.73: HA TYR 81 + QD TYR 81 OK 66 97 - 68 - 3.7=59, 5474/4.3=10...(6) HA SER 22 + QD TYR 81 OK 19 100 - 19 - 5466=5, 5452/2.5=5...(5) HA PRO 14 - QD TYR 81 lone 5 100 - 5 - 5451/2.5=2, 5452/2.5=2 HA ASP 67 - QD TYR 81 lone 2 65 - 2 - HA THR 58 - QD TYR 81 lone 1 89 - 1 - HA MET 31 - QD TYR 81 lone 0 60 - 0 - Peak 4675 from anoeabs.peaks (4.19, 7.08, 132.95 ppm; 3.81 A): 5 out of 9 assignments used, quality = 0.85: HA ALA 78 + QD TYR 81 OK 49 85 - 58 - 15862/2.5=21, 6048=14...(10) HA ARG 82 + QD TYR 81 OK 40 97 - 41 - 3.0/4673=13, 5868=9...(10) HA GLN 79 + QD TYR 81 OK 34 97 - 35 - 5868=11, 5.0/4685=6...(8) HA LYS 73 + QD TYR 81 OK 16 98 - 16 - 4678/2.2=3, 3.0/4683=2...(7) HA ARG 84 + QD TYR 81 OK 11 100 - 11 - 5458/2.5=2, 5459/2.5=2...(5) HA ALA 53 - QD TYR 81 lone 2 73 - 3 - HA ILE 89 - QD TYR 81 lone 2 87 - 2 - HA LEU 29 - QD TYR 81 lone 2 65 - 3 - HB THR 15 - QD TYR 81 lone 1 83 - 1 - Peak 4676 from anoeabs.peaks (3.02, 7.08, 132.95 ppm; 2.85 A): 2 out of 3 assignments used, quality = 0.94: HB2 TYR 81 + QD TYR 81 OK 92 92 - 100 - 2.5=100 HD2 ARG 54 + QD TYR 81 OK 32 97 - 33 - 3.6/4684=6, 5883/2.5=4...(17) HD3 ARG 54 - QD TYR 81 OK 32 97 - 33 - 3.6/4684=6, 5883/2.5=3...(17) Peak 4677 from anoeabs.peaks (2.96, 7.08, 132.95 ppm; 2.96 A): 1 out of 12 assignments used, quality = 0.92: HB3 TYR 81 + QD TYR 81 OK 92 92 - 100 - 2.5=100 HB3 TYR 55 - QD TYR 81 lone 6 71 - 8 - 4.4/6000=1, ~2377=1 HE2 LYS 39 - QD TYR 81 lone 5 94 - 5 - 3.6/4684=2 HE3 LYS 39 - QD TYR 81 lone 5 92 - 5 - 3.6/4684=2 HE2 LYS 75 - QD TYR 81 lone 4 100 - 4 - HE3 LYS 75 - QD TYR 81 lone 4 100 - 4 - HE2 LYS 73 - QD TYR 81 lone 4 97 - 4 - 3.7/4685=1 HE3 LYS 73 - QD TYR 81 lone 4 96 - 4 - 3.7/4685=1 HE3 LYS 32 - QD TYR 81 lone 2 97 - 2 - HE2 LYS 32 - QD TYR 81 lone 2 97 - 2 - HE2 LYS 13 - QD TYR 81 lone 1 100 - 1 - HE3 LYS 13 - QD TYR 81 lone 1 100 - 1 - Peak 4678 from anoeabs.peaks (4.18, 6.79, 118.00 ppm; 4.40 A): 4 out of 18 assignments used, quality = 0.71: HA ALA 78 + QE TYR 81 OK 34 68 - 50 - 15862/4.4=15...(7) HA ARG 82 + QE TYR 81 OK 32 100 - 32 - 5868/2.2=11, ~4673=10...(7) HA GLN 79 + QE TYR 81 OK 26 89 - 30 - 5868/2.2=13, 5.0/4686=5...(6) HA LYS 73 + QE TYR 81 OK 13 100 - 13 - 4675/2.2=4, 3.8/4686=2...(6) HA ARG 84 - QE TYR 81 lone 9 100 - 9 - 4675/2.2=3, 5458/4.4=2...(4) HA ALA 53 - QE TYR 55 lone 4 52 - 8 - 4560/6.3=6 HA ARG 82 - QE TYR 55 lone 4 64 - 5 - HA LYS 73 - QE TYR 55 lone 3 65 - 5 - HA ALA 53 - QE TYR 81 lone 3 89 - 4 - HA ARG 84 - QE TYR 55 lone 2 64 - 3 - HA LEU 29 - QE TYR 55 lone 2 47 - 5 - 4582/6.3=2 HA LEU 29 - QE TYR 81 lone 2 83 - 2 - HA ILE 89 - QE TYR 81 lone 2 97 - 2 - HB THR 15 - QE TYR 81 lone 1 94 - 1 - HA GLN 79 - QE TYR 55 lone 1 52 - 3 - HA ALA 78 - QE TYR 55 lone 1 37 - 3 - HA ILE 89 - QE TYR 55 lone 1 59 - 2 - HB THR 15 - QE TYR 55 lone 1 57 - 1 - Peak 4679 from anoeabs.peaks (3.01, 6.79, 118.00 ppm; 3.97 A): 5 out of 6 assignments used, quality = 0.94: HB2 TYR 81 + QE TYR 81 OK 64 81 - 79 - 4.4=71, ~4674=14...(4) HD2 ARG 54 + QE TYR 81 OK 41 90 - 45 - 4676/2.2=9, ~4676=6...(12) HD3 ARG 54 + QE TYR 81 OK 40 89 - 45 - 4676/2.2=9, ~4676=6...(12) HD2 ARG 54 + QE TYR 55 OK 34 53 - 64 - ~4968=12, 5363/2.2=10...(15) HD3 ARG 54 + QE TYR 55 OK 33 52 - 64 - ~4968=12, 5363/2.2=10...(15) HB2 TYR 81 - QE TYR 55 lone 4 45 - 10 - 2.5/6000=4, 5999=1 Peak 4681 from anoeabs.peaks (2.01, 6.79, 118.00 ppm; 4.88 A): 4 out of 26 assignments used, quality = 0.55: HG LEU 43 + QE TYR 81 OK 28 85 - 33 - ~4370=9, ~4919=9...(6) HB3 GLN 79 + QE TYR 81 OK 22 94 - 23 - ~5868=11, 3.0/4678=7, ~4675=6 HG2 PRO 56 + QE TYR 55 OK 11 30 - 37 - ~4630=15, ~4575=15, 5292/5.6=11 HB3 PRO 56 + QE TYR 55 OK 10 40 - 25 - ~4630=13, ~4575=13 HD3 ARG 69 - QE TYR 81 poor 9 76 - 12 - 3.0/4686=2, 5823/2.2=2...(5) HD2 ARG 69 - QE TYR 81 poor 9 76 - 12 - 3.0/4686=2, 5823/2.2=2...(5) HG2 PRO 14 - QE TYR 55 poor 5 42 - 11 - ~4631=7, ~4666=2 HG3 PRO 14 - QE TYR 55 poor 5 42 - 11 - ~4631=7, ~4666=2 QE MET 31 - QE TYR 55 lone 4 50 - 7 - 5930=3, 5083/6.3=2, 5075/4213=1 HG LEU 43 - QE TYR 55 lone 3 49 - 5 - 5641/5728=3 HB VAL 90 - QE TYR 55 lone 2 59 - 4 - ~4655=1 HB VAL 90 - QE TYR 81 lone 2 97 - 2 - HG2 ARG 66 - QE TYR 55 lone 2 65 - 3 - HG3 PRO 14 - QE TYR 81 lone 2 76 - 3 - HG2 PRO 14 - QE TYR 81 lone 2 76 - 3 - HG2 ARG 66 - QE TYR 81 lone 2 100 - 2 - HB3 MET 11 - QE TYR 81 lone 2 100 - 2 - QE MET 31 - QE TYR 81 lone 1 87 - 2 - HB3 MET 11 - QE TYR 55 lone 1 65 - 2 - HB2 GLU 87 - QE TYR 81 lone 1 73 - 2 - HB3 PRO 56 - QE TYR 81 lone 1 73 - 1 - HB3 GLN 79 - QE TYR 55 lone 1 57 - 2 - HG2 PRO 56 - QE TYR 81 lone 1 57 - 2 - HD2 ARG 69 - QE TYR 55 lone 1 42 - 2 - HD3 ARG 69 - QE TYR 55 lone 1 42 - 2 - HB2 GLU 87 - QE TYR 55 lone 1 40 - 2 - Peak 4683 from anoeabs.peaks (1.76, 7.08, 132.95 ppm; 4.51 A): 7 out of 17 assignments used, quality = 0.94: HB2 ARG 54 + QD TYR 81 OK 73 100 - 73 - 1.8/4684=21, 4562/2.2=11...(24) HB3 ARG 82 + QD TYR 81 OK 43 100 - 43 - 4.0/4673=14, 3.0/5868=11...(9) HB3 LYS 73 + QD TYR 81 OK 22 94 - 23 - 3.0/4675=4, 2.9/4685=3...(9) HB2 PRO 34 + QD TYR 81 OK 22 92 - 23 - ~5291=3, ~5933=2...(12) HG2 PRO 34 + QD TYR 81 OK 19 100 - 19 - 5933/2.2=3, ~5291=3...(7) HB3 LYS 39 + QD TYR 81 OK 17 87 - 20 - 2.9/4684=5, 5205/4527=2...(5) HB3 LYS 75 + QD TYR 81 OK 10 76 - 13 - 2.7/4685=2, 2.7/4685=2...(5) HB2 LYS 32 - QD TYR 81 lone 10 98 - 10 - 5476/4.3=1 HB3 LYS 32 - QD TYR 81 lone 10 98 - 10 - 5476/4.3=1 HB2 LEU 62 - QD TYR 81 lone 5 87 - 6 - HB ILE 33 - QD TYR 81 lone 5 100 - 5 - HB2 LYS 83 - QD TYR 81 lone 5 89 - 6 - 5476/4.3=2 HB2 LEU 57 - QD TYR 81 lone 4 100 - 4 - HB2 LYS 13 - QD TYR 81 lone 3 71 - 4 - HG3 ARG 71 - QD TYR 81 lone 2 94 - 3 - HB3 ARG 17 - QD TYR 81 lone 2 81 - 2 - HG3 ARG 26 - QD TYR 81 lone 2 90 - 2 - Peak 4684 from anoeabs.peaks (1.53, 7.08, 132.95 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.79: HB3 ARG 54 + QD TYR 81 OK 63 92 - 68 - 1.8/4683=11, 4970/2.2=9...(26) HG2 ARG 82 + QD TYR 81 OK 31 100 - 31 - 5478/4.3=14, 3.8/5868=9...(6) HG2 LYS 39 + QD TYR 81 OK 18 92 - 20 - 6087/4527=3, 5478/4.3=2...(5) HG LEU 64 - QD TYR 81 lone 7 99 - 7 - 5478/4.3=3 HG3 ARG 23 - QD TYR 81 lone 4 99 - 4 - 5478/4.3=2 Peak 4685 from anoeabs.peaks (1.37, 7.08, 132.95 ppm; 4.29 A): 6 out of 12 assignments used, quality = 0.84: QB ALA 78 + QD TYR 81 OK 65 90 - 71 - 2.1/6048=21, ~15862=21...(10) QB ALA 77 + QD TYR 81 OK 27 100 - 27 - 4.9/6048=13, 2.1/6048=4...(7) HG3 LYS 73 + QD TYR 81 OK 14 90 - 15 - 3.8/4675=3, 2.9/4683=3...(6) HG3 ARG 69 + QD TYR 81 OK 13 100 - 13 - 4686/2.2=2, 3.0/5823=2...(5) HG2 LYS 75 + QD TYR 81 OK 10 87 - 12 - 4686/2.2=2, ~4686=1...(5) HG3 LYS 75 + QD TYR 81 OK 10 87 - 12 - 4686/2.2=2, ~4686=1...(5) HB3 ARG 69 - QD TYR 81 lone 7 76 - 9 - 3.9/5823=2, 3.9/5823=2...(4) HG2 LYS 85 - QD TYR 81 lone 3 99 - 3 - HG2 LYS 83 - QD TYR 81 lone 3 100 - 3 - QB ALA 53 - QD TYR 81 lone 3 81 - 4 - QB ALA 20 - QD TYR 81 lone 2 99 - 2 - QB ALA 16 - QD TYR 81 lone 1 96 - 1 - Peak 4686 from anoeabs.peaks (1.38, 6.79, 118.00 ppm; 4.57 A): 4 out of 26 assignments used, quality = 0.62: QB ALA 78 + QE TYR 81 OK 44 97 - 45 - ~6048=17, 4685/2.2=16...(5) QB ALA 77 + QE TYR 81 OK 15 100 - 16 - 4685/2.2=7, 4.9/4678=5, ~6048=3 HG3 ARG 69 + QE TYR 81 OK 11 100 - 11 - 4685/2.2=3, 3.0/4681=2...(4) HG3 LYS 73 + QE TYR 81 OK 10 97 - 11 - 4685/2.2=3, 3.8/4678=3, ~4683=2 HG3 LYS 39 - QE TYR 55 poor 10 35 - 27 - ~4634=7, ~4666=4...(8) HG2 LYS 75 - QE TYR 81 lone 9 96 - 9 - 4685/2.2=3, ~4685=2 HG3 LYS 75 - QE TYR 81 lone 9 96 - 9 - 4685/2.2=3, ~4685=2 HB3 ARG 69 - QE TYR 81 lone 7 89 - 8 - 3.9/4681=2, 3.9/4681=2...(4) HG3 LYS 39 - QE TYR 81 lone 6 65 - 10 - ~4684=4, ~4683=1 QB ALA 53 - QE TYR 55 lone 4 54 - 8 - 5732/6.3=5, 2.1/4678=1 HG3 LYS 75 - QE TYR 55 lone 4 58 - 7 - ~4666=1 HG2 LYS 75 - QE TYR 55 lone 4 58 - 7 - ~4666=1 HG3 LYS 73 - QE TYR 55 lone 4 60 - 6 - 5732/6.3=1 QB ALA 53 - QE TYR 81 lone 4 92 - 4 - HG2 LYS 83 - QE TYR 81 lone 3 98 - 3 - HG2 LYS 85 - QE TYR 81 lone 3 100 - 3 - QB ALA 78 - QE TYR 55 lone 2 60 - 3 - QB ALA 20 - QE TYR 81 lone 2 100 - 2 - HG3 ARG 69 - QE TYR 55 lone 2 65 - 2 - QB ALA 77 - QE TYR 55 lone 1 65 - 2 - HB3 ARG 69 - QE TYR 55 lone 1 52 - 3 - QB ALA 16 - QE TYR 81 lone 1 87 - 2 - HG2 LYS 85 - QE TYR 55 lone 1 65 - 2 - HG2 LYS 83 - QE TYR 55 lone 1 61 - 2 - QB ALA 20 - QE TYR 55 lone 1 65 - 1 - QB ALA 16 - QE TYR 55 lone 1 50 - 1 - Peak 4687 from anoeabs.peaks (2.75, 6.94, 130.03 ppm; 4.59 A): 3 out of 4 assignments used, quality = 0.83: HD2 PRO 34 + QE PHE 35 OK 63 65 - 96 - 4.1/4583=31, 4649/2.2=26...(28) HB2 ASN 42 + QE PHE 35 OK 32 99 - 32 - 4649/2.2=6, 1995=5...(9) HB3 ASN 42 + QE PHE 35 OK 31 97 - 32 - 4649/2.2=6, 1995=5...(9) HB3 ASN 80 - QE PHE 35 lone 3 99 - 3 - Peak 4688 from anoeabs.peaks (1.94, 6.94, 130.03 ppm; 4.42 A): 3 out of 9 assignments used, quality = 0.94: HG LEU 57 + QE PHE 35 OK 82 97 - 85 - 2.1/4579=22, 2.1/4577=21...(21) HB3 ARG 66 + QE PHE 35 OK 46 100 - 46 - 3.0/4735=9, 2.8/5967=7...(13) HB VAL 41 + QE PHE 35 OK 35 93 - 37 - 2.1/4329=6, 5628=6...(9) HG13 ILE 68 - QE PHE 35 OK 22 83 - 27 - 1.8/4578=4, 5975/4.5=4...(9) HB2 MET 31 - QE PHE 35 OK 14 99 - 15 - 6120/4579=3, 6120/4579=3...(5) HB2 LEU 64 - QE PHE 35 poor 8 63 - 13 - 4555/4581=2, 5025/4579=2 HB3 ARG 70 - QE PHE 35 lone 7 97 - 7 - HB2 ARG 70 - QE PHE 35 lone 7 97 - 7 - HB2 GLN 79 - QE PHE 35 lone 3 76 - 4 - Peak 4689 from anoeabs.peaks (2.38, 6.95, 128.89 ppm; 4.93 A): 4 out of 8 assignments used, quality = 0.94: HB VAL 65 + HZ PHE 48 OK 79 99 - 80 - ~4718=34, ~4716=25...(11) HB VAL 65 + HZ PHE 35 OK 61 91 - 67 - 2.1/4719=13, 2.1/4717=13...(11) HG3 MET 11 + HZ PHE 35 OK 13 89 - 15 - 4713=2, 4713/2.2=2...(5) HG3 MET 11 + HZ PHE 48 OK 13 97 - 13 - 4713=2, 2666/4719=2...(4) HG2 GLU 50 - HZ PHE 48 lone 7 97 - 7 - 3.7/4605=1 HG2 GLU 50 - HZ PHE 35 lone 5 89 - 5 - HG2 GLU 59 - HZ PHE 48 lone 3 87 - 4 - HG2 GLU 59 - HZ PHE 35 lone 3 77 - 3 - Peak 4690 from anoeabs.peaks (1.74, 6.79, 118.00 ppm; 4.14 A): 9 out of 28 assignments used, quality = 0.91: HG2 PRO 34 + QE TYR 55 OK 42 52 - 81 - 4246/2.2=26, ~5565=20...(18) HB2 ARG 54 + QE TYR 81 OK 36 76 - 47 - ~4684=12, 4562=8...(10) HB2 ARG 54 + QE TYR 55 OK 34 42 - 81 - ~4563=20, 4561/2.2=16...(20) HB2 LEU 43 + QE TYR 81 OK 23 87 - 26 - 4921/2.2=7, ~5639=6...(5) HB3 ARG 82 + QE TYR 81 OK 19 76 - 25 - 3.0/4678=6, ~5868=6...(6) HB2 LEU 57 + QE TYR 55 OK 15 40 - 38 - ~4989=13, ~4636=10...(7) HB2 LEU 62 + QE TYR 55 OK 15 64 - 23 - 5777/6.3=3, ~5950=3...(9) HG2 PRO 34 + QE TYR 81 OK 13 89 - 14 - 2.3/5291=3, ~4683=2...(7) HB ILE 33 + QE TYR 55 OK 12 37 - 34 - ~4636=7, 3.2/4213=7...(9) HB2 ARG 84 - QE TYR 81 lone 4 90 - 5 - 3.0/4678=2, ~4675=1 HB2 LEU 62 - QE TYR 81 lone 3 100 - 3 - HG3 ARG 71 - QE TYR 55 lone 3 61 - 4 - HB3 LYS 85 - QE TYR 81 lone 2 83 - 2 - HB3 ARG 82 - QE TYR 55 lone 2 42 - 5 - HG3 ARG 26 - QE TYR 55 lone 2 63 - 3 - HB ILE 33 - QE TYR 81 lone 2 68 - 3 - HB3 LYS 83 - QE TYR 81 lone 2 71 - 3 - HB2 ARG 84 - QE TYR 55 lone 2 53 - 3 - HB2 LEU 57 - QE TYR 81 lone 2 73 - 2 - HG3 ARG 71 - QE TYR 81 lone 2 98 - 2 - HB3 ARG 17 - QE TYR 55 lone 2 65 - 2 - HB2 LEU 29 - QE TYR 81 lone 2 68 - 2 - HB3 ARG 17 - QE TYR 81 lone 1 100 - 1 - HB2 LEU 29 - QE TYR 55 lone 1 37 - 4 - HG3 ARG 26 - QE TYR 81 lone 1 99 - 1 - HB2 LEU 43 - QE TYR 55 lone 1 50 - 2 - HB3 LYS 85 - QE TYR 55 lone 1 47 - 1 - HB3 LYS 83 - QE TYR 55 lone 1 39 - 1 - Average quality of peak assignments : 0.940 Average number of used assignments : 2.924 Average rank of reference assignment: 1.167 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 5180 in nnoeabs.peaks : 1097 in cnoeabs.peaks : 3933 in anoeabs.peaks : 150 assigned : 5137 unassigned : 43 without assignment possibility : 19 with violation below 0.5 A : 24 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 12 in cnoeabs.peaks : 30 in anoeabs.peaks : 1 with diagonal assignment : 612 Cross peaks: with off-diagonal assignment : 4525 with unique assignment : 1076 with short-range assignment |i-j|<=1: 3454 with medium-range assignment 1<|i-j|<5 : 768 with long-range assignment |i-j|>=5: 303 Comparison with reference assignment: Cross peaks with reference assignment : 2952 with identical reference assignment : 792 with compatible reference assignment : 2825 with incompatible reference assignment : 3 with additional reference assignment : 1 with additional assignment : 1697