Peak 2 from nnoeabs.peaks (4.38, 8.24, 125.71 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + H ALA 12 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 8 from nnoeabs.peaks (4.26, 8.27, 122.13 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.67: * HA ALA 12 + H LYS 13 OK 67 100 100 67 2.1-2.8 3704=67 HA THR 15 - H LYS 13 far 0 96 0 - 6.5-9.1 Violated in 0 structures by 0.00 A. Peak 9 from nnoeabs.peaks (1.33, 8.27, 122.13 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 12 + H LYS 13 OK 100 100 100 100 2.1-3.7 3.6=100 QB ALA 16 - H LYS 13 far 0 65 0 - 5.8-10.2 HG3 LYS 32 - H LYS 13 far 0 100 0 - 6.9-29.1 QG2 THR 58 - H LYS 13 far 0 83 0 - 7.3-25.9 Violated in 0 structures by 0.00 A. Peak 10 from nnoeabs.peaks (4.45, 8.20, 114.71 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.75: * HA PRO 14 + H THR 15 OK 75 100 100 75 2.1-2.6 3.6=70, 3.8/5906=11, 3.8/5906=8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 4.0=100 HG2 GLU 25 - H THR 15 far 0 89 0 - 7.8-24.1 HG3 GLU 25 - H THR 15 far 0 68 0 - 9.5-22.6 Violated in 0 structures by 0.00 A. Peak 12 from nnoeabs.peaks (1.89, 8.20, 114.71 ppm; 4.74 A): 1 out of 7 assignments used, quality = 1.00: * HB3 PRO 14 + H THR 15 OK 100 100 100 100 3.2-4.5 4.0=100 HB3 PRO 34 - H THR 15 far 0 95 0 - 7.4-24.2 HB3 ARG 26 - H THR 15 far 0 99 0 - 8.3-27.7 HB2 MET 11 - H THR 15 far 0 100 0 - 8.3-13.7 HB2 GLU 19 - H THR 15 far 0 76 0 - 9.0-17.4 HB2 GLN 91 - H THR 15 far 0 97 0 - 9.7-80.9 HB2 ARG 26 - H THR 15 far 0 99 0 - 9.8-26.7 Violated in 0 structures by 0.00 A. Peak 18 from nnoeabs.peaks (4.25, 8.36, 126.99 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 15 + H ALA 16 OK 100 100 100 100 2.1-3.5 3.6=100 HA GLU 19 - H ALA 16 far 0 97 0 - 6.5-12.2 HA LYS 39 - H ALA 16 far 0 100 0 - 9.0-27.6 HA ALA 12 - H ALA 16 far 0 96 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 19 from nnoeabs.peaks (4.17, 8.36, 126.99 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 15 + H ALA 16 OK 100 100 100 100 2.1-4.3 4.4=100 HA LEU 29 - H ALA 16 far 0 99 0 - 5.7-20.9 Violated in 0 structures by 0.00 A. Peak 20 from nnoeabs.peaks (1.19, 8.36, 126.99 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 15 + H ALA 16 OK 100 100 100 100 2.2-4.1 4.2=100 QG2 THR 37 - H ALA 16 far 0 83 0 - 7.9-17.3 HG13 ILE 33 - H ALA 16 far 0 63 0 - 9.8-20.6 QG2 VAL 65 - H ALA 16 far 0 81 0 - 9.9-21.0 Violated in 0 structures by 0.00 A. Peak 22 from nnoeabs.peaks (4.31, 8.38, 120.73 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.88: * HA ALA 16 + H ARG 17 OK 88 100 100 88 2.1-3.4 3.6=86, ~5486=12, 3535/5.0=1 HA PRO 34 - H ARG 17 far 0 99 0 - 4.3-20.1 Violated in 2 structures by 0.00 A. Peak 23 from nnoeabs.peaks (1.36, 8.38, 120.73 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 16 + H ARG 17 OK 100 100 100 100 2.0-3.4 3.6=100 QB ALA 28 - H ARG 17 far 0 81 0 - 5.5-14.0 QB ALA 20 - H ARG 17 far 0 87 0 - 6.0-10.7 QB ALA 12 - H ARG 17 far 0 65 0 - 8.1-13.7 Violated in 0 structures by 0.00 A. Peak 24 from nnoeabs.peaks (3.93, 8.32, 120.92 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: * HA2 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.6 3.6=98, 4800/3.0=5...(4) HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.2-3.5 3.6=98, 4800/3.0=5, ~4800=5 HA2 GLY 21 - H GLU 19 far 0 73 0 - 5.7-9.0 HA3 GLY 21 - H GLU 19 far 0 76 0 - 6.1-9.1 HA THR 37 - H GLU 19 far 0 99 0 - 7.9-17.7 HA ALA 28 - H GLU 19 far 0 57 0 - 9.9-17.2 Violated in 0 structures by 0.00 A. Peak 25 from nnoeabs.peaks (3.93, 8.32, 120.92 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: HA2 GLY 18 + H GLU 19 OK 98 100 100 98 2.1-3.6 3.6=98, 4800/3.0=5...(4) * HA3 GLY 18 + H GLU 19 OK 98 100 100 98 2.2-3.5 3.6=98, 4800/3.0=5, ~4800=5 HA2 GLY 21 - H GLU 19 far 0 76 0 - 5.7-9.0 HA3 GLY 21 - H GLU 19 far 0 78 0 - 6.1-9.1 HA THR 37 - H GLU 19 far 0 99 0 - 7.9-17.7 HA ALA 28 - H GLU 19 far 0 60 0 - 9.9-17.2 Violated in 0 structures by 0.00 A. Peak 27 from nnoeabs.peaks (4.26, 8.45, 124.95 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 20 + H ALA 20 OK 100 100 100 100 2.8-2.9 3.0=100 * HA GLU 19 + H ALA 20 OK 91 100 100 91 2.1-3.6 3.6=80, 3.0/29=33...(6) HA ARG 17 - H ALA 20 far 0 81 0 - 5.4-10.3 HA ASP 38 - H ALA 20 far 0 78 0 - 8.9-17.4 HA THR 15 - H ALA 20 far 0 97 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 28 from nnoeabs.peaks (1.91, 8.45, 124.95 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 19 + H ALA 20 OK 100 100 100 100 2.7-4.6 4.6=100 HB3 ARG 26 - H ALA 20 far 0 60 0 - 6.8-13.5 Violated in 0 structures by 0.00 A. Peak 29 from nnoeabs.peaks (2.04, 8.45, 124.95 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.98: * HB3 GLU 19 + H ALA 20 OK 98 100 100 98 2.0-4.5 4.6=92, 3.0/27=40...(9) HB3 GLU 25 - H ALA 20 far 5 90 5 - 4.3-9.6 HB2 GLU 25 - H ALA 20 far 0 92 0 - 5.3-9.4 Violated in 0 structures by 0.00 A. Peak 30 from nnoeabs.peaks (2.23, 8.45, 124.95 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.98: HG3 GLU 19 + H ALA 20 OK 87 100 90 96 2.2-5.9 3.0/29=75, 3.9/27=39...(9) * HG2 GLU 19 + H ALA 20 OK 87 100 90 96 3.0-5.9 3.0/29=75, 3.9/27=39...(9) HG2 GLU 25 - H ALA 20 poor 19 63 30 - 3.3-9.5 Violated in 0 structures by 0.00 A. Peak 31 from nnoeabs.peaks (2.23, 8.45, 124.95 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.98: * HG3 GLU 19 + H ALA 20 OK 87 100 90 96 2.2-5.9 3.0/29=75, 3.9/27=39...(9) HG2 GLU 19 + H ALA 20 OK 87 100 90 96 3.0-5.9 3.0/29=75, 3.9/27=39...(9) HG2 GLU 25 - H ALA 20 poor 19 63 30 - 3.3-9.5 Violated in 0 structures by 0.00 A. Peak 33 from nnoeabs.peaks (4.26, 8.39, 107.77 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 20 + H GLY 21 OK 100 100 100 100 2.1-3.6 3.6=100 HA GLU 19 - H GLY 21 far 0 100 0 - 4.5-6.8 HA ASP 38 - H GLY 21 far 0 87 0 - 6.0-14.8 HA ARG 17 - H GLY 21 far 0 89 0 - 7.5-12.6 HA LYS 39 - H GLY 21 far 0 97 0 - 9.2-18.9 Violated in 0 structures by 0.00 A. Peak 34 from nnoeabs.peaks (1.38, 8.39, 107.77 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 20 + H GLY 21 OK 100 100 100 100 2.1-3.3 3.6=100 QB ALA 16 - H GLY 21 far 0 87 0 - 7.8-13.4 Violated in 0 structures by 0.00 A. Peak 36 from nnoeabs.peaks (3.95, 8.21, 115.99 ppm; 3.70 A): 2 out of 6 assignments used, quality = 1.00: * HA2 GLY 21 + H SER 22 OK 100 100 100 100 2.1-3.6 3.5=100 HA3 GLY 21 + H SER 22 OK 100 100 100 100 2.2-3.6 3.5=100 HA3 GLY 18 - H SER 22 far 0 76 0 - 7.1-12.8 HA2 GLY 18 - H SER 22 far 0 73 0 - 7.4-12.3 HA THR 37 - H SER 22 far 0 90 0 - 8.6-12.1 HA ALA 28 - H SER 22 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 37 from nnoeabs.peaks (3.95, 8.21, 115.99 ppm; 3.70 A): 2 out of 6 assignments used, quality = 1.00: * HA3 GLY 21 + H SER 22 OK 100 100 100 100 2.2-3.6 3.5=100 HA2 GLY 21 + H SER 22 OK 100 100 100 100 2.1-3.6 3.5=100 HA3 GLY 18 - H SER 22 far 0 78 0 - 7.1-12.8 HA2 GLY 18 - H SER 22 far 0 76 0 - 7.4-12.3 HA THR 37 - H SER 22 far 0 92 0 - 8.6-12.1 HA ALA 28 - H SER 22 far 0 99 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 39 from nnoeabs.peaks (4.45, 8.49, 122.99 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 22 + H ARG 23 OK 100 100 100 100 2.3-2.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 40 from nnoeabs.peaks (4.01, 8.49, 122.99 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 22 + H ARG 23 OK 100 100 100 100 2.0-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 43 from nnoeabs.peaks (4.13, 8.34, 120.23 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 23 + H ASP 24 OK 100 100 100 100 3.4-3.6 3.6=100 HA ARG 27 - H ASP 24 far 0 97 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 44 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 2 out of 7 assignments used, quality = 0.99: * HB2 ARG 23 + H ASP 24 OK 89 100 100 89 2.3-4.0 4.2=70, 1262/3.6=17...(12) HB3 ARG 23 + H ASP 24 OK 88 100 100 88 2.5-3.9 4.2=70, 1262/3.6=17...(10) HB2 ARG 27 - H ASP 24 far 0 99 0 - 4.6-6.5 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.9-7.8 HB3 ARG 71 - H ASP 24 far 0 99 0 - 6.7-10.3 HB2 ARG 71 - H ASP 24 far 0 99 0 - 7.2-9.8 HB2 LYS 75 - H ASP 24 far 0 100 0 - 8.6-13.0 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (1.85, 8.34, 120.23 ppm; 3.71 A): 2 out of 7 assignments used, quality = 0.99: HB2 ARG 23 + H ASP 24 OK 89 100 100 89 2.3-4.0 4.2=70, 1262/3.6=17...(12) * HB3 ARG 23 + H ASP 24 OK 88 100 100 88 2.5-3.9 4.2=70, 1262/3.6=17...(10) HB2 ARG 27 - H ASP 24 far 0 100 0 - 4.6-6.5 HB3 ARG 27 - H ASP 24 far 0 99 0 - 5.9-7.8 HB3 ARG 71 - H ASP 24 far 0 99 0 - 6.7-10.3 HB2 ARG 71 - H ASP 24 far 0 100 0 - 7.2-9.8 HB2 LYS 75 - H ASP 24 far 0 100 0 - 8.6-13.0 Violated in 0 structures by 0.00 A. Peak 50 from nnoeabs.peaks (8.34, 8.20, 121.35 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 24 + H GLU 25 OK 100 100 100 100 2.4-2.8 903=100, 518/53=61...(7) H GLU 19 - H GLU 25 far 0 93 0 - 7.5-13.1 Violated in 0 structures by 0.00 A. Peak 51 from nnoeabs.peaks (4.49, 8.20, 121.35 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 24 + H GLU 25 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 52 from nnoeabs.peaks (2.56, 8.20, 121.35 ppm; 4.10 A increased from 3.86 A): 1 out of 1 assignment used, quality = 0.91: * HB2 ASP 24 + H GLU 25 OK 91 100 100 91 3.8-3.9 4.5=75, 517/903=51...(6) Violated in 0 structures by 0.00 A. Peak 53 from nnoeabs.peaks (2.59, 8.20, 121.35 ppm; 4.08 A increased from 3.84 A): 1 out of 1 assignment used, quality = 0.91: * HB3 ASP 24 + H GLU 25 OK 91 100 100 91 3.0-3.9 4.5=74, 518/903=53...(6) Violated in 0 structures by 0.00 A. Peak 54 from nnoeabs.peaks (8.20, 8.13, 119.29 ppm; 3.37 A): 2 out of 6 assignments used, quality = 0.98: * H GLU 25 + H ARG 26 OK 95 100 100 95 2.7-3.0 904=67, 522/4.7=32...(9) H ARG 27 + H ARG 26 OK 71 76 100 93 2.7-2.7 5380=76, 4.6/528=33...(9) H SER 22 - H ARG 26 far 15 97 15 - 3.1-5.3 H ALA 28 - H ARG 26 far 0 96 0 - 4.1-4.3 H ALA 77 - H ASN 74 far 0 34 0 - 4.8-6.8 H GLN 79 - H ASN 74 far 0 48 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 55 from nnoeabs.peaks (4.09, 8.13, 119.29 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.83: HA ARG 26 + H ARG 26 OK 83 83 100 100 2.8-2.8 3.0=100 HA ARG 71 - H ASN 74 far 5 51 10 - 3.4-4.1 ! HA GLU 25 - H ARG 26 far 0 100 0 - 3.5-3.6 HA ARG 27 - H ARG 26 far 0 65 0 - 5.3-5.3 Violated in 0 structures by 0.00 A. Peak 56 from nnoeabs.peaks (2.05, 8.13, 119.29 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.98: * HB2 GLU 25 + H ARG 26 OK 89 100 95 94 2.4-3.8 521/904=44, 4.7=40...(11) HB3 GLU 25 + H ARG 26 OK 83 100 90 93 2.7-4.1 4.7=40, 4.0/904=35...(11) HD3 ARG 69 - H ASN 74 far 0 37 0 - 5.5-10.1 HB VAL 76 - H ASN 74 far 0 55 0 - 5.7-7.4 HB3 GLU 19 - H ARG 26 far 0 92 0 - 6.1-14.4 HD2 ARG 69 - H ASN 74 far 0 37 0 - 6.7-9.9 Violated in 2 structures by 0.00 A. Peak 57 from nnoeabs.peaks (2.05, 8.13, 119.29 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.98: HB2 GLU 25 + H ARG 26 OK 89 100 95 94 2.4-3.8 522/904=44, 4.7=40...(11) * HB3 GLU 25 + H ARG 26 OK 83 100 90 93 2.7-4.1 4.7=40, 4.0/904=35...(11) HD3 ARG 69 - H ASN 74 far 0 36 0 - 5.5-10.1 HB VAL 76 - H ASN 74 far 0 54 0 - 5.7-7.4 HB3 GLU 19 - H ARG 26 far 0 90 0 - 6.1-14.4 HD2 ARG 69 - H ASN 74 far 0 36 0 - 6.7-9.9 Violated in 2 structures by 0.00 A. Peak 58 from nnoeabs.peaks (2.26, 8.13, 119.29 ppm; 5.09 A increased from 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 25 + H ARG 26 OK 100 100 100 100 2.1-4.8 5510=84, 1332/3.6=80...(7) HG3 GLU 19 - H ARG 26 far 0 63 0 - 5.8-16.4 HG2 GLU 19 - H ARG 26 far 0 63 0 - 6.5-15.5 HB2 PRO 14 - H ARG 26 far 0 89 0 - 9.0-24.9 Violated in 0 structures by 0.00 A. Peak 61 from nnoeabs.peaks (4.07, 8.18, 120.59 ppm; 3.72 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 26 + H ARG 27 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 25 + H ARG 27 OK 61 83 85 86 3.9-4.2 3.6/5380=58...(9) Violated in 0 structures by 0.00 A. Peak 62 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 2 out of 8 assignments used, quality = 0.85: * HB2 ARG 26 + H ARG 27 OK 66 100 90 73 2.7-4.0 527/5380=43, 4.6=26...(6) HB2 ARG 27 + H ARG 27 OK 58 65 100 88 2.1-2.7 4.1=38, 1.8/1422=21...(18) HB3 ARG 27 - H ARG 27 far 10 68 15 - 3.1-3.6 HB3 ARG 26 - H ARG 27 far 0 100 0 - 3.8-4.1 HB ILE 68 - H ARG 27 far 0 89 0 - 8.5-9.5 HB2 ARG 71 - H ARG 27 far 0 65 0 - 8.8-11.7 HB3 ARG 71 - H ARG 27 far 0 68 0 - 8.9-12.0 HB3 PRO 14 - H ARG 27 far 0 99 0 - 9.2-27.1 Violated in 0 structures by 0.00 A. Peak 63 from nnoeabs.peaks (1.88, 8.18, 120.59 ppm; 2.94 A): 2 out of 9 assignments used, quality = 0.85: HB2 ARG 26 + H ARG 27 OK 66 100 90 73 2.7-4.0 528/5380=43, 4.6=26...(6) HB2 ARG 27 + H ARG 27 OK 55 63 100 88 2.1-2.7 4.1=38, 1.8/1422=21...(18) HB3 ARG 27 - H ARG 27 far 10 65 15 - 3.1-3.6 ! HB3 ARG 26 - H ARG 27 far 0 100 0 - 3.8-4.1 HB ILE 68 - H ARG 27 far 0 90 0 - 8.5-9.5 HB2 ARG 71 - H ARG 27 far 0 63 0 - 8.8-11.7 HB3 ARG 71 - H ARG 27 far 0 65 0 - 8.9-12.0 HB3 PRO 14 - H ARG 27 far 0 99 0 - 9.2-27.1 HB2 GLU 19 - H ARG 27 far 0 60 0 - 9.3-16.5 Violated in 0 structures by 0.00 A. Peak 64 from nnoeabs.peaks (1.62, 8.18, 120.59 ppm; 4.11 A increased from 3.87 A): 2 out of 4 assignments used, quality = 0.98: HG3 ARG 27 + H ARG 27 OK 91 97 95 100 2.0-4.4 5.0=57, 2.9/535=56...(26) HG2 ARG 27 + H ARG 27 OK 73 97 75 100 1.9-4.5 5.0=57, 2.9/535=56...(27) ! HG2 ARG 26 - H ARG 27 far 10 100 10 - 2.3-5.3 HG2 ARG 71 - H ARG 27 far 0 100 0 - 8.1-12.4 Violated in 0 structures by 0.00 A. Peak 65 from nnoeabs.peaks (1.75, 8.18, 120.59 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.94: * HG3 ARG 26 + H ARG 27 OK 94 100 100 94 3.2-4.6 1390/5380=72, 3.0/63=50...(6) HB ILE 33 - H ARG 27 far 0 83 0 - 8.2-9.1 HG3 ARG 71 - H ARG 27 far 0 100 0 - 8.5-12.7 Violated in 0 structures by 0.00 A. Peak 69 from nnoeabs.peaks (4.12, 8.21, 122.47 ppm; 3.55 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 27 + H ALA 28 OK 100 100 100 100 3.5-3.5 3.6=99, 3.0/70=35...(12) HA GLU 25 + H ALA 28 OK 54 65 100 82 3.4-3.6 4181/2.9=37, 3754=24...(10) HA ALA 30 - H ALA 28 far 0 83 0 - 6.4-6.5 HA ARG 23 - H ALA 28 far 0 97 0 - 6.8-8.0 HB THR 88 - H ARG 84 far 0 85 0 - 8.5-17.2 Violated in 0 structures by 0.00 A. Peak 70 from nnoeabs.peaks (1.85, 8.21, 122.47 ppm; 3.47 A): 2 out of 9 assignments used, quality = 0.97: * HB2 ARG 27 + H ALA 28 OK 93 100 100 93 2.8-3.6 3755=53, 3.0/69=34...(13) HB3 ARG 27 + H ALA 28 OK 57 100 60 94 3.1-4.1 4.3=51, 1.8/3755=41...(13) HB2 ARG 26 - H ALA 28 far 0 65 0 - 4.8-5.5 HB3 ARG 26 - H ALA 28 far 0 63 0 - 5.2-5.7 HB2 ARG 17 - H ALA 28 far 0 95 0 - 6.9-16.8 HB3 ARG 23 - H ALA 28 far 0 100 0 - 7.8-9.4 HB2 ARG 23 - H ALA 28 far 0 99 0 - 8.1-9.9 HB2 ARG 71 - H ALA 28 far 0 100 0 - 9.6-12.5 HB3 ARG 71 - H ALA 28 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 71 from nnoeabs.peaks (1.85, 8.21, 122.47 ppm; 3.47 A): 2 out of 9 assignments used, quality = 0.97: HB2 ARG 27 + H ALA 28 OK 93 100 100 93 2.8-3.6 3756=53, 3.0/69=34...(13) * HB3 ARG 27 + H ALA 28 OK 57 100 60 94 3.1-4.1 4.3=51, 1.8/3755=41...(13) HB2 ARG 26 - H ALA 28 far 0 68 0 - 4.8-5.5 HB3 ARG 26 - H ALA 28 far 0 65 0 - 5.2-5.7 HB2 ARG 17 - H ALA 28 far 0 93 0 - 6.9-16.8 HB3 ARG 23 - H ALA 28 far 0 99 0 - 7.8-9.4 HB2 ARG 23 - H ALA 28 far 0 99 0 - 8.1-9.9 HB2 ARG 71 - H ALA 28 far 0 100 0 - 9.6-12.5 HB3 ARG 71 - H ALA 28 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 72 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 5.36 A increased from 4.51 A): 2 out of 8 assignments used, quality = 1.00: HG3 ARG 27 + H ALA 28 OK 99 100 100 99 4.0-5.3 2.9/70=60, 3.8/69=56...(11) * HG2 ARG 27 + H ALA 28 OK 99 100 100 99 4.0-5.4 2.9/70=60, 3.8/69=56...(11) HB2 LEU 86 - H ARG 84 far 11 71 15 - 4.0-10.7 HG2 ARG 26 - H ALA 28 far 10 97 10 - 4.7-7.0 HG3 ARG 17 - H ALA 28 far 0 96 0 - 8.3-18.2 HG2 ARG 71 - H ALA 28 far 0 96 0 - 9.2-13.4 HB3 GLN 61 - H ALA 28 far 0 63 0 - 9.4-10.3 HG2 ARG 17 - H ALA 28 far 0 95 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. Peak 73 from nnoeabs.peaks (1.63, 8.21, 122.47 ppm; 5.36 A increased from 4.51 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 27 + H ALA 28 OK 99 100 100 99 4.0-5.3 2.9/70=60, 3.8/69=56...(11) HG2 ARG 27 + H ALA 28 OK 99 100 100 99 4.0-5.4 2.9/70=60, 3.8/69=56...(11) HB2 LEU 86 - H ARG 84 far 10 69 15 - 4.0-10.7 HG2 ARG 26 - H ALA 28 far 10 97 10 - 4.7-7.0 HG3 ARG 17 - H ALA 28 far 0 95 0 - 8.3-18.2 HG2 ARG 71 - H ALA 28 far 0 95 0 - 9.2-13.4 HB3 GLN 61 - H ALA 28 far 0 65 0 - 9.4-10.3 HG2 ARG 17 - H ALA 28 far 0 93 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. Peak 76 from nnoeabs.peaks (8.21, 7.95, 119.22 ppm; 3.45 A): 1 out of 4 assignments used, quality = 0.99: * H ALA 28 + H LEU 29 OK 99 100 100 99 2.7-2.7 907=95, 2.9/78=58...(7) H GLU 25 - H LEU 29 far 0 96 0 - 6.5-6.7 H THR 15 - H LEU 29 far 0 98 0 - 6.6-24.0 H SER 22 - H LEU 29 far 0 100 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 77 from nnoeabs.peaks (3.96, 7.95, 119.22 ppm; 3.69 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 28 + H LEU 29 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 32 - H LEU 29 far 0 85 0 - 5.5-5.8 HA3 GLY 18 - H LEU 29 far 0 60 0 - 6.5-14.8 HA2 GLY 18 - H LEU 29 far 0 57 0 - 6.8-15.5 HA THR 37 - H LEU 29 far 0 78 0 - 7.7-8.4 HA3 GLY 21 - H LEU 29 far 0 99 0 - 7.9-11.3 HA2 GLY 21 - H LEU 29 far 0 99 0 - 7.9-11.8 HA GLN 61 - H LEU 29 far 0 99 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (1.34, 7.95, 119.22 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.98: * QB ALA 28 + H LEU 29 OK 98 100 100 98 2.1-2.3 3762=80, 2.9/76=47...(9) QB ALA 16 - H LEU 29 far 0 81 0 - 5.0-16.1 HG3 LYS 32 - H LEU 29 far 0 97 0 - 7.6-8.4 QB ALA 12 - H LEU 29 far 0 99 0 - 9.9-23.0 Violated in 0 structures by 0.00 A. Peak 79 from nnoeabs.peaks (7.95, 7.98, 123.05 ppm; 2.89 A increased from 2.72 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + H ALA 30 OK 100 100 100 100 2.7-2.8 908=100, 548/83=31...(13) H LYS 32 - H ALA 30 far 0 97 0 - 3.6-3.8 Violated in 0 structures by 0.00 A. Peak 80 from nnoeabs.peaks (4.16, 7.98, 123.05 ppm; 3.34 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 29 + H ALA 30 OK 100 100 100 100 3.5-3.5 3.6=82, 3.0/908=61...(12) HA ALA 30 + H ALA 30 OK 71 71 100 100 2.8-2.9 3.0=100 HB THR 15 - H ALA 30 far 0 99 0 - 8.7-26.3 Violated in 0 structures by 0.00 A. Peak 81 from nnoeabs.peaks (1.72, 7.98, 123.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 29 + H ALA 30 OK 100 100 100 100 3.5-3.6 3764=87, 1483/908=59...(13) HB3 ARG 17 - H ALA 30 far 0 65 0 - 7.6-18.1 HB3 LEU 64 - H ALA 30 far 0 85 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 82 from nnoeabs.peaks (1.58, 7.98, 123.05 ppm; 4.39 A increased from 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + H ALA 30 OK 100 100 100 100 4.1-4.2 1.8/81=93, 4.6=88...(14) Violated in 0 structures by 0.00 A. Peak 83 from nnoeabs.peaks (1.67, 7.98, 123.05 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 29 + H ALA 30 OK 100 100 100 100 2.2-2.4 3766=80, 548/908=77...(13) HB3 LEU 64 - H ALA 30 far 0 76 0 - 8.3-8.9 HD3 LYS 13 - H ALA 30 far 0 98 0 - 8.6-27.8 HB3 GLN 61 - H ALA 30 far 0 92 0 - 9.0-9.9 HD2 LYS 13 - H ALA 30 far 0 98 0 - 9.1-27.4 HG2 ARG 23 - H ALA 30 far 0 100 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 84 from nnoeabs.peaks (0.88, 7.98, 123.05 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + H ALA 30 OK 100 100 100 100 3.0-3.3 2.1/83=90, 1506/81=83...(14) Violated in 0 structures by 0.00 A. Peak 85 from nnoeabs.peaks (0.84, 7.98, 123.05 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + H ALA 30 OK 100 100 100 100 3.8-4.0 3768=88, 2.1/83=87...(17) QD2 LEU 64 - H ALA 30 far 0 100 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 86 from nnoeabs.peaks (7.98, 7.71, 115.23 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 30 + H MET 31 OK 99 100 100 99 2.5-2.7 909=88, 553/3.6=51...(8) Violated in 0 structures by 0.00 A. Peak 87 from nnoeabs.peaks (4.13, 7.71, 115.23 ppm; 3.57 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 30 + H MET 31 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 29 - H MET 31 far 0 71 0 - 4.1-4.6 HA ARG 27 - H MET 31 far 0 83 0 - 4.1-4.7 Violated in 0 structures by 0.00 A. Peak 88 from nnoeabs.peaks (1.45, 7.71, 115.23 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * QB ALA 30 + H MET 31 OK 99 100 100 99 2.4-2.7 3.6=83, 553/86=53...(13) HG12 ILE 33 + H MET 31 OK 45 100 50 90 3.4-3.9 2.1/5550=32, 574/5544=27...(12) HB3 LEU 57 - H MET 31 far 0 76 0 - 9.3-10.2 HG2 LYS 13 - H MET 31 far 0 78 0 - 9.6-27.0 HG3 LYS 13 - H MET 31 far 0 97 0 - 10.0-26.0 Violated in 0 structures by 0.00 A. Peak 89 from nnoeabs.peaks (7.71, 7.94, 118.73 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + H LYS 32 OK 100 100 100 100 2.3-2.5 910=100, 3.0/90=57...(15) H GLN 61 - H LYS 32 far 0 71 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 90 from nnoeabs.peaks (4.42, 7.94, 118.73 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 31 + H LYS 32 OK 100 100 100 100 3.3-3.3 3.6=95, 3.0/910=58...(7) Violated in 0 structures by 0.00 A. Peak 91 from nnoeabs.peaks (1.94, 7.94, 118.73 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 31 + H LYS 32 OK 100 100 100 100 3.4-3.5 4.7=100 HB2 GLU 19 - H LYS 32 far 0 68 0 - 9.7-19.7 Violated in 0 structures by 0.00 A. Peak 92 from nnoeabs.peaks (2.07, 7.94, 118.73 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 31 + H LYS 32 OK 100 100 100 100 4.1-4.3 4.7=100 HB3 GLU 25 - H LYS 32 far 0 90 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (3.98, 7.91, 120.59 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 32 + H ILE 33 OK 100 100 100 100 2.5-2.7 3776=100, 1558/3779=24 HA ALA 28 - H ILE 33 far 0 85 0 - 3.6-4.3 HA GLN 61 - H ILE 33 far 0 96 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 97 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 1 out of 8 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.7-2.7 1651=69, 3.0/574=43...(11) ! HB2 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.4 HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.5 HB3 ARG 17 - H ILE 33 far 0 57 0 - 5.4-17.4 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.7-7.5 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.7-6.9 HB2 LYS 13 - H ILE 33 far 0 90 0 - 7.2-24.0 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 98 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 1 out of 8 assignments used, quality = 0.98: HB ILE 33 + H ILE 33 OK 98 100 100 98 2.7-2.7 1651=69, 3.0/574=43...(11) HB2 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.4 ! HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.5 HB3 ARG 17 - H ILE 33 far 0 57 0 - 5.4-17.4 HB2 PRO 34 - H ILE 33 far 0 99 0 - 6.7-7.5 HG2 PRO 34 - H ILE 33 far 0 93 0 - 6.7-6.9 HB2 LYS 13 - H ILE 33 far 0 90 0 - 7.2-24.0 HB2 LEU 57 - H ILE 33 far 0 99 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 99 from nnoeabs.peaks (1.28, 7.91, 120.59 ppm; 5.09 A increased from 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 32 + H ILE 33 OK 100 100 100 100 4.8-4.9 3779=100, 1558/3776=89 QG2 THR 58 - H ILE 33 far 0 60 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 100 from nnoeabs.peaks (1.33, 7.91, 120.59 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 28 + H ILE 33 OK 97 97 100 100 3.5-3.8 5303=97, 4219/572=63...(7) ! HG3 LYS 32 - H ILE 33 far 0 100 0 - 5.2-5.6 QG2 THR 58 - H ILE 33 far 0 90 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 105 from nnoeabs.peaks (4.32, 6.31, 116.43 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + H PHE 35 OK 100 100 100 100 3.4-3.4 3.6=100 HA ALA 16 - H PHE 35 far 0 99 0 - 8.0-21.7 Violated in 0 structures by 0.00 A. Peak 106 from nnoeabs.peaks (1.78, 6.31, 116.43 ppm; 4.24 A): 3 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + H PHE 35 OK 100 100 100 100 3.8-4.4 4.0=100 HB ILE 33 + H PHE 35 OK 96 97 100 100 3.2-3.3 2.1/4248=94, 3.0/4250=58...(7) HG2 PRO 34 + H PHE 35 OK 82 83 100 99 3.0-4.5 1.8/109=71, 2.3/110=68...(10) HB3 LYS 39 - H PHE 35 far 0 100 0 - 6.3-8.0 HB2 LYS 13 - H PHE 35 far 0 97 0 - 7.0-25.2 HB3 LYS 32 - H PHE 35 far 0 99 0 - 7.6-7.9 HB2 LYS 32 - H PHE 35 far 0 99 0 - 7.8-8.0 HB2 ARG 54 - H PHE 35 far 0 93 0 - 8.4-9.8 HB2 LEU 57 - H PHE 35 far 0 95 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 108 from nnoeabs.peaks (1.76, 6.31, 116.43 ppm; 4.14 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 33 + H PHE 35 OK 98 98 100 100 3.2-3.3 2.1/4248=92, 3.0/4250=56...(7) * HG2 PRO 34 + H PHE 35 OK 79 100 80 99 3.0-4.5 1.8/109=68, 2.3/110=64...(10) HB2 PRO 34 + H PHE 35 OK 79 83 95 100 3.8-4.4 4.0=100 HB3 LYS 39 - H PHE 35 far 0 76 0 - 6.3-8.0 HB3 ARG 17 - H PHE 35 far 0 90 0 - 6.4-17.3 HB3 LYS 32 - H PHE 35 far 0 93 0 - 7.6-7.9 HB2 LYS 32 - H PHE 35 far 0 93 0 - 7.8-8.0 HB2 ARG 54 - H PHE 35 far 0 99 0 - 8.4-9.8 HB2 LEU 57 - H PHE 35 far 0 99 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 109 from nnoeabs.peaks (1.04, 6.31, 116.43 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.99: * HG3 PRO 34 + H PHE 35 OK 99 100 100 99 3.1-4.4 2.3/110=74, 5564=54...(12) QD1 ILE 40 - H PHE 35 far 0 95 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 110 from nnoeabs.peaks (2.72, 6.31, 116.43 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + H PHE 35 OK 100 100 100 100 2.8-2.9 4215/4248=73, 2.3/109=69...(12) Violated in 0 structures by 0.00 A. Peak 111 from nnoeabs.peaks (3.54, 6.31, 116.43 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + H PHE 35 OK 100 100 100 100 3.9-4.0 1.8/110=84, 2.3/109=75...(11) HD3 PRO 36 + H PHE 35 OK 68 68 100 100 4.8-4.8 4.8=90, 4251/3.0=79...(10) Violated in 0 structures by 0.00 A. Peak 112 from nnoeabs.peaks (4.61, 8.81, 115.67 ppm; 3.05 A): 1 out of 1 assignment used, quality = 0.96: * HA PRO 36 + H THR 37 OK 96 100 100 96 2.2-2.3 3794=89, 4290/119=25...(6) Violated in 0 structures by 0.00 A. Peak 113 from nnoeabs.peaks (2.12, 8.81, 115.67 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 36 + H THR 37 OK 100 100 100 100 2.9-3.3 4.0=100 HG3 PRO 36 - H THR 37 far 0 60 0 - 5.3-5.6 HB ILE 40 - H THR 37 far 0 100 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 114 from nnoeabs.peaks (2.45, 8.81, 115.67 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 36 + H THR 37 OK 100 100 100 100 3.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 115 from nnoeabs.peaks (2.09, 8.81, 115.67 ppm; 4.99 A increased from 4.20 A): 1 out of 2 assignments used, quality = 0.98: * HG2 PRO 36 + H THR 37 OK 98 100 100 98 4.6-4.9 3.8/112=85, 4879/119=59...(5) HG3 PRO 36 - H THR 37 far 5 100 5 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 116 from nnoeabs.peaks (2.10, 8.81, 115.67 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.60: HB2 PRO 36 + H THR 37 OK 60 60 100 100 2.9-3.3 4.0=100 HG2 PRO 36 - H THR 37 far 0 100 0 - 4.6-4.9 ! HG3 PRO 36 - H THR 37 far 0 100 0 - 5.3-5.6 HB ILE 40 - H THR 37 far 0 63 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 119 from nnoeabs.peaks (8.81, 8.70, 119.49 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H THR 37 + H ASP 38 OK 99 100 100 99 2.5-2.8 912=87, 112/4290=42...(8) Violated in 0 structures by 0.00 A. Peak 120 from nnoeabs.peaks (3.94, 8.70, 119.49 ppm; 4.16 A): 1 out of 7 assignments used, quality = 1.00: * HA THR 37 + H ASP 38 OK 100 100 100 100 3.5-3.5 3.6=100 HA3 GLY 18 - H ASP 38 far 0 99 0 - 4.7-18.3 HA2 GLY 18 - H ASP 38 far 0 99 0 - 6.1-19.1 HA3 GLY 21 - H ASP 38 far 0 92 0 - 6.5-13.1 HA2 GLY 21 - H ASP 38 far 0 90 0 - 7.2-13.5 HA2 GLY 72 - H ASP 38 far 0 65 0 - 8.0-9.5 HA ALA 28 - H ASP 38 far 0 78 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 121 from nnoeabs.peaks (4.22, 8.70, 119.49 ppm; 4.14 A increased from 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 37 + H ASP 38 OK 100 100 100 100 3.7-4.1 3800=100, 3.8/119=58...(4) HA LYS 39 - H ASP 38 far 0 65 0 - 5.2-5.4 HA THR 15 - H ASP 38 far 0 76 0 - 8.9-25.1 Violated in 0 structures by 0.00 A. Peak 122 from nnoeabs.peaks (1.17, 8.70, 119.49 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 37 + H ASP 38 OK 100 100 100 100 1.9-3.9 4.1=100 QG2 THR 15 - H ASP 38 far 0 83 0 - 6.6-21.9 Violated in 0 structures by 0.00 A. Peak 123 from nnoeabs.peaks (8.70, 7.39, 117.25 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + H LYS 39 OK 100 100 100 100 2.5-2.9 913=100, 4888/127=36...(11) Violated in 0 structures by 0.00 A. Peak 124 from nnoeabs.peaks (4.28, 7.39, 117.25 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HA ASP 38 + H LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 39 + H LYS 39 OK 60 60 100 100 2.8-2.8 3.0=100 HA ALA 20 - H LYS 39 far 0 87 0 - 5.6-17.9 HA ARG 17 - H LYS 39 far 0 100 0 - 7.5-20.3 HA GLU 19 - H LYS 39 far 0 78 0 - 8.3-18.2 Violated in 0 structures by 0.00 A. Peak 125 from nnoeabs.peaks (2.62, 7.39, 117.25 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 38 + H LYS 39 OK 94 100 100 94 2.6-4.0 4.7=70, 4.0/913=56...(7) HB3 ASP 38 + H LYS 39 OK 93 100 100 93 2.5-4.1 4.7=70, 4.0/913=56...(6) Violated in 0 structures by 0.00 A. Peak 126 from nnoeabs.peaks (2.62, 7.39, 117.25 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 38 + H LYS 39 OK 94 100 100 94 2.6-4.0 4.7=70, 4.0/913=56...(7) * HB3 ASP 38 + H LYS 39 OK 93 100 100 93 2.5-4.1 4.7=70, 4.0/913=56...(6) Violated in 0 structures by 0.00 A. Peak 127 from nnoeabs.peaks (7.39, 7.24, 115.36 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H ILE 40 OK 100 100 100 100 2.6-2.8 914=100, 593/129=46...(11) Violated in 0 structures by 0.00 A. Peak 128 from nnoeabs.peaks (4.25, 7.24, 115.36 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 39 + H ILE 40 OK 100 100 100 100 3.4-3.5 3.6=100 HA ASP 38 - H ILE 40 poor 20 60 35 95 3.7-4.4 3.6/914=59, 3.0/4888=45...(8) HB THR 37 - H ILE 40 far 0 65 0 - 4.9-5.6 HA ALA 20 - H ILE 40 far 0 97 0 - 7.9-19.2 HA ARG 17 - H ILE 40 far 0 63 0 - 9.9-21.7 Violated in 0 structures by 0.00 A. Peak 129 from nnoeabs.peaks (1.85, 7.24, 115.36 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LYS 39 + H ILE 40 OK 98 100 100 98 2.6-3.4 1.8/130=62, 4.4=62...(10) HB2 ARG 71 - H ILE 40 far 0 100 0 - 8.8-12.6 HB2 ARG 27 - H ILE 40 far 0 100 0 - 9.7-12.2 HB3 ARG 71 - H ILE 40 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 130 from nnoeabs.peaks (1.78, 7.24, 115.36 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 39 + H ILE 40 OK 100 100 100 100 3.7-4.0 1.8/129=86, 4.4=86...(9) HB2 ARG 69 - H ILE 40 far 0 83 0 - 6.4-8.3 HB ILE 33 - H ILE 40 far 0 93 0 - 7.9-8.3 HG2 PRO 34 - H ILE 40 far 0 76 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 137 from nnoeabs.peaks (7.24, 7.63, 114.41 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + H VAL 41 OK 100 100 100 100 2.4-2.8 915=100, 603/139=51...(15) Violated in 0 structures by 0.00 A. Peak 138 from nnoeabs.peaks (3.63, 7.63, 114.41 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + H VAL 41 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 69 + H VAL 41 OK 42 100 45 94 4.1-4.7 5130/612=68...(7) HA VAL 65 - H VAL 41 far 0 100 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 139 from nnoeabs.peaks (2.12, 7.63, 114.41 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 40 + H VAL 41 OK 99 100 100 99 2.5-2.8 3815=73, 603/915=53...(12) HB2 PRO 36 - H VAL 41 far 0 100 0 - 6.8-7.0 HG3 PRO 36 - H VAL 41 far 0 63 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 140 from nnoeabs.peaks (0.93, 7.63, 114.41 ppm; 3.03 A): 1 out of 7 assignments used, quality = 0.98: QG2 VAL 41 + H VAL 41 OK 98 100 100 98 2.0-2.5 1979=78, 2.1/610=60...(11) ! QG2 ILE 40 - H VAL 41 far 0 100 0 - 3.4-3.7 QG2 VAL 76 - H VAL 41 far 0 98 0 - 5.8-10.8 QG1 VAL 76 - H VAL 41 far 0 98 0 - 5.9-9.7 QD2 LEU 43 - H VAL 41 far 0 92 0 - 6.5-6.9 HG12 ILE 68 - H VAL 41 far 0 98 0 - 6.9-8.4 QD1 LEU 64 - H VAL 41 far 0 71 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 141 from nnoeabs.peaks (1.90, 7.63, 114.41 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.68: HB VAL 41 + H VAL 41 OK 68 71 100 95 2.5-2.7 2.1/140=70, 3.9=60...(6) ! HG12 ILE 40 - H VAL 41 far 0 100 0 - 4.2-4.3 HB ILE 68 - H VAL 41 far 0 99 0 - 5.5-6.4 HG13 ILE 68 - H VAL 41 far 0 85 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 142 from nnoeabs.peaks (1.23, 7.63, 114.41 ppm; 5.12 A increased from 4.82 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + H VAL 41 OK 100 100 100 100 5.0-5.1 2.9/139=92, 606/915=85...(10) HG2 ARG 69 - H VAL 41 far 10 98 10 - 5.2-7.1 QG1 VAL 65 - H VAL 41 far 0 100 0 - 6.1-6.5 QG2 VAL 65 - H VAL 41 far 0 85 0 - 8.1-8.5 HG13 ILE 33 - H VAL 41 far 0 96 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 143 from nnoeabs.peaks (1.03, 7.63, 114.41 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + H VAL 41 OK 100 100 100 100 4.3-4.6 3.2/139=82, 607/915=76...(10) Violated in 0 structures by 0.00 A. Peak 144 from nnoeabs.peaks (7.63, 7.72, 113.33 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 41 + H ASN 42 OK 99 100 100 99 2.1-2.4 916=83, 610/146=46...(9) HD21 ASN 42 + H ASN 42 OK 96 100 100 96 1.9-2.8 5089=48, 1.7/5088=43...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 HD3 PRO 36 - H ASN 42 far 0 96 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 146 from nnoeabs.peaks (1.93, 7.72, 113.33 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 41 + H ASN 42 OK 100 100 100 100 2.5-2.9 3821=80, 2.1/147=58...(11) HG12 ILE 40 - H ASN 42 far 0 71 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 147 from nnoeabs.peaks (0.80, 7.72, 113.33 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + H ASN 42 OK 100 100 100 100 3.6-3.8 4.1=78, 2.1/146=77...(10) QG2 ILE 68 - H ASN 42 far 0 95 0 - 5.3-6.3 QD1 ILE 68 - H ASN 42 far 0 92 0 - 7.7-8.6 Violated in 3 structures by 0.00 A. Peak 148 from nnoeabs.peaks (0.94, 7.72, 113.33 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 41 + H ASN 42 OK 100 100 100 100 3.5-3.8 4.1=78, 2.1/146=77...(9) QG2 ILE 40 - H ASN 42 far 0 100 0 - 5.1-5.3 QG2 VAL 76 - H ASN 42 far 0 93 0 - 5.3-10.3 QG1 VAL 76 - H ASN 42 far 0 93 0 - 5.4-9.6 QD2 LEU 43 - H ASN 42 far 0 97 0 - 5.4-5.8 HG12 ILE 68 - H ASN 42 far 0 93 0 - 9.1-10.6 Violated in 1 structures by 0.00 A. Peak 149 from nnoeabs.peaks (7.72, 7.52, 120.92 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 42 + H LEU 43 OK 100 100 100 100 2.5-2.8 917=100, 3.0/3824=51...(8) H GLU 50 - H LEU 43 far 0 98 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 150 from nnoeabs.peaks (4.68, 7.52, 120.92 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 42 + H LEU 43 OK 100 100 100 100 3.3-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 151 from nnoeabs.peaks (2.76, 7.52, 120.92 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 42 + H LEU 43 OK 98 100 100 98 2.3-3.5 4.4=75, 3.0/3824=69...(6) HB3 ASN 42 + H LEU 43 OK 97 100 100 97 3.0-4.3 4.4=75, 3.0/3824=69...(5) Violated in 0 structures by 0.00 A. Peak 152 from nnoeabs.peaks (2.76, 7.52, 120.92 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 42 + H LEU 43 OK 98 100 100 98 2.3-3.5 4.4=75, 3.0/3824=69...(6) * HB3 ASN 42 + H LEU 43 OK 98 100 100 98 3.0-4.3 4.4=75, 3.0/3824=69...(5) Violated in 0 structures by 0.00 A. Peak 155 from nnoeabs.peaks (4.57, 8.62, 122.56 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.98: * HA PRO 44 + H VAL 45 OK 98 100 100 98 2.4-2.5 3829=89, 2.3/156=43...(7) Violated in 0 structures by 0.00 A. Peak 156 from nnoeabs.peaks (2.48, 8.62, 122.56 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + H VAL 45 OK 100 100 100 100 3.3-3.5 4.2=98, 2.3/155=87...(7) Violated in 0 structures by 0.00 A. Peak 157 from nnoeabs.peaks (2.09, 8.62, 122.56 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.99: * HB3 PRO 44 + H VAL 45 OK 96 100 100 96 2.3-2.7 2.3/155=67, 4.2=55...(6) HB VAL 45 + H VAL 45 OK 69 71 100 97 2.3-2.4 3.9=66, 2.1/630=62...(5) Violated in 0 structures by 0.00 A. Peak 162 from nnoeabs.peaks (8.62, 8.77, 119.44 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + H ASP 46 OK 100 100 100 100 2.5-2.7 918=92, 630/166=63...(8) H ASN 49 - H ASP 46 far 0 68 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 163 from nnoeabs.peaks (3.69, 8.77, 119.44 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 45 + H ASP 46 OK 100 100 100 100 3.5-3.5 3.5=100 HD3 PRO 44 - H ASP 46 far 0 76 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 164 from nnoeabs.peaks (2.06, 8.77, 119.44 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.81: HG2 PRO 44 + H ASP 46 OK 58 87 100 67 3.2-3.4 2.3/5132=34, 2.3/5131=21...(7) HB3 PRO 44 + H ASP 46 OK 54 71 100 77 2.3-2.3 1.8/5132=35, 4.2/162=32...(6) ! HB VAL 45 - H ASP 46 far 0 100 0 - 3.9-3.9 HB2 GLU 50 - H ASP 46 far 0 71 0 - 7.1-7.6 HB3 GLU 50 - H ASP 46 far 0 71 0 - 8.9-9.2 HB3 GLN 91 - H ASP 46 far 0 71 0 - 9.4-50.4 Violated in 0 structures by 0.00 A. Peak 165 from nnoeabs.peaks (1.07, 8.77, 119.44 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + H ASP 46 OK 100 100 100 100 4.0-4.1 3836=92, 2.1/166=91...(8) Violated in 0 structures by 0.00 A. Peak 166 from nnoeabs.peaks (0.99, 8.77, 119.44 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.99: * QG1 VAL 45 + H ASP 46 OK 99 100 100 99 2.2-2.3 3837=84, 2.1/165=40...(10) Violated in 0 structures by 0.00 A. Peak 167 from nnoeabs.peaks (8.77, 7.27, 119.22 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: H PHE 48 + H ASP 47 OK 96 100 100 96 2.7-2.8 171=67, 174/638=30...(14) * H ASP 46 + H ASP 47 OK 95 100 100 95 2.7-2.8 919=67, 634/170=38...(11) Violated in 0 structures by 0.00 A. Peak 168 from nnoeabs.peaks (4.49, 7.27, 119.22 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + H ASP 47 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 169 from nnoeabs.peaks (2.70, 7.27, 119.22 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.95: * HB2 ASP 46 + H ASP 47 OK 95 100 100 95 2.6-3.4 1.8/170=76, 633/919=47...(6) HB3 ASN 49 - H ASP 47 far 0 81 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 170 from nnoeabs.peaks (2.55, 7.27, 119.22 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.91: * HB3 ASP 46 + H ASP 47 OK 91 100 100 91 2.1-2.7 1.8/169=64, 634/919=45...(5) Violated in 0 structures by 0.00 A. Peak 171 from nnoeabs.peaks (7.27, 8.77, 123.38 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.98: * H ASP 47 + H PHE 48 OK 98 100 100 98 2.7-2.8 920=50, 638/174=40...(14) HE ARG 54 - H PHE 48 far 0 100 0 - 7.5-11.6 H ILE 40 - H PHE 48 far 0 71 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 172 from nnoeabs.peaks (4.39, 8.77, 123.38 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + H PHE 48 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 173 from nnoeabs.peaks (2.67, 8.77, 123.38 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + H PHE 48 OK 100 100 100 100 3.2-3.6 4.3=79, 1.8/174=77...(11) HB3 ASN 49 - H PHE 48 far 0 96 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 174 from nnoeabs.peaks (2.59, 8.77, 123.38 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + H PHE 48 OK 100 100 100 100 2.6-2.9 4.3=75, 1.8/173=73...(11) Violated in 0 structures by 0.00 A. Peak 175 from nnoeabs.peaks (8.77, 8.65, 117.58 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + H ASN 49 OK 100 100 100 100 2.6-2.9 921=92, 641/177=45...(10) H ASP 46 - H ASN 49 far 0 100 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 176 from nnoeabs.peaks (4.03, 8.65, 117.58 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 48 + H ASN 49 OK 100 100 100 100 3.5-3.6 3.6=100 HD2 PRO 44 - H ASN 49 far 0 99 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 177 from nnoeabs.peaks (3.13, 8.65, 117.58 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.98: * HB2 PHE 48 + H ASN 49 OK 98 100 100 98 2.5-2.8 3845=68, 2.5/180=53...(8) Violated in 0 structures by 0.00 A. Peak 178 from nnoeabs.peaks (2.88, 8.65, 117.58 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.88: HB2 ASN 49 + H ASN 49 OK 88 92 100 95 2.2-2.2 1.8/648=52, 2167=50...(10) ! HB3 PHE 48 - H ASN 49 far 0 100 0 - 3.9-4.1 Violated in 0 structures by 0.00 A. Peak 180 from nnoeabs.peaks (7.07, 8.65, 117.58 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 48 + H ASN 49 OK 100 100 100 100 3.1-3.4 2.5/177=75, 4603=74...(12) Violated in 0 structures by 0.00 A. Peak 181 from nnoeabs.peaks (8.65, 7.73, 120.91 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + H GLU 50 OK 100 100 100 100 2.6-2.7 922=100, 647/183=48...(10) H VAL 45 - H GLU 50 far 0 68 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 182 from nnoeabs.peaks (4.14, 7.73, 120.91 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 49 + H GLU 50 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 53 - H GLU 50 far 0 71 0 - 7.7-7.9 Violated in 0 structures by 0.00 A. Peak 183 from nnoeabs.peaks (2.90, 7.73, 120.91 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASN 49 + H GLU 50 OK 98 100 100 98 2.8-3.0 4.2=70, 1.8/184=68...(5) HB3 PHE 48 - H GLU 50 far 0 90 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 184 from nnoeabs.peaks (2.68, 7.73, 120.91 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.99: * HB3 ASN 49 + H GLU 50 OK 99 100 100 99 3.2-3.6 4.2=82, 1.8/183=81...(4) HB2 ASP 47 - H GLU 50 far 0 96 0 - 5.0-5.7 HB2 ASP 46 - H GLU 50 far 0 81 0 - 5.4-6.9 Violated in 0 structures by 0.00 A. Peak 187 from nnoeabs.peaks (7.73, 7.53, 121.73 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + H LEU 51 OK 100 100 100 100 2.3-2.5 923=100, 653/190=37...(15) Violated in 0 structures by 0.00 A. Peak 188 from nnoeabs.peaks (3.96, 7.53, 121.73 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 50 + H LEU 51 OK 100 100 100 100 3.4-3.5 3.6=100 HA ARG 66 - H LEU 51 far 0 95 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 189 from nnoeabs.peaks (2.04, 7.53, 121.73 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.87: * HB2 GLU 50 + H LEU 51 OK 81 100 85 96 2.7-3.8 653/923=54, 4.7=36...(13) HB3 GLU 50 + H LEU 51 OK 32 100 35 92 3.5-4.3 3.9/923=39, 4.7=36...(11) HG2 PRO 44 - H LEU 51 far 0 99 0 - 7.3-7.6 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.8-11.0 HD3 ARG 69 - H LEU 51 far 0 97 0 - 8.1-11.6 HB VAL 45 - H LEU 51 far 0 71 0 - 10.0-10.2 Violated in 3 structures by 0.04 A. Peak 190 from nnoeabs.peaks (2.04, 7.53, 121.73 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.87: HB2 GLU 50 + H LEU 51 OK 81 100 85 96 2.7-3.8 653/923=54, 4.7=36...(13) * HB3 GLU 50 + H LEU 51 OK 32 100 35 92 3.5-4.3 3.9/923=39, 4.7=36...(11) HG2 PRO 44 - H LEU 51 far 0 99 0 - 7.3-7.6 HD2 ARG 69 - H LEU 51 far 0 97 0 - 7.8-11.0 HD3 ARG 69 - H LEU 51 far 0 97 0 - 8.1-11.6 HB VAL 45 - H LEU 51 far 0 71 0 - 10.0-10.2 Violated in 3 structures by 0.04 A. Peak 192 from nnoeabs.peaks (2.21, 7.53, 121.73 ppm; 4.93 A increased from 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 50 + H LEU 51 OK 100 100 100 100 2.4-4.8 3855=100, 656/923=82...(8) Violated in 0 structures by 0.00 A. Peak 193 from nnoeabs.peaks (7.53, 7.43, 115.28 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + H LEU 52 OK 100 100 100 100 2.7-2.9 924=92, 660/196=46...(13) H ARG 54 - H LEU 52 far 0 100 0 - 3.7-4.3 H LEU 43 - H LEU 52 far 0 97 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 194 from nnoeabs.peaks (3.89, 7.43, 115.28 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 51 + H LEU 52 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 195 from nnoeabs.peaks (1.32, 7.43, 115.28 ppm; 3.72 A increased from 3.31 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + H LEU 52 OK 99 100 100 99 3.8-4.0 1.8/196=80, 659/193=62...(8) HB2 LEU 52 + H LEU 52 OK 93 93 100 100 3.6-3.6 3.9=85, 1.8/667=83...(9) HG2 ARG 54 - H LEU 52 far 0 92 0 - 5.2-6.6 Violated in 0 structures by 0.00 A. Peak 196 from nnoeabs.peaks (1.60, 7.43, 115.28 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LEU 51 + H LEU 52 OK 99 100 100 99 2.5-2.8 3858=71, 660/193=55...(11) HG3 ARG 54 - H LEU 52 far 0 76 0 - 4.7-7.9 HB3 LEU 62 - H LEU 52 far 0 97 0 - 7.4-9.1 HD2 LYS 39 - H LEU 52 far 0 90 0 - 8.1-11.4 HD3 LYS 39 - H LEU 52 far 0 89 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 197 from nnoeabs.peaks (0.89, 7.43, 115.28 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + H LEU 52 OK 100 100 100 100 3.5-4.1 3.0/196=79, 5684=74...(9) QD1 LEU 62 - H LEU 52 far 0 87 0 - 5.6-7.5 Violated in 0 structures by 0.00 A. 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 99 100 100 99 4.0-4.6 4.6=99 Violated in 1 structures by 0.00 A. Peak 200 from nnoeabs.peaks (7.43, 7.22, 117.09 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 52 + H ALA 53 OK 99 100 100 99 2.5-2.8 925=87, 667/203=40...(12) Violated in 0 structures by 0.00 A. Peak 201 from nnoeabs.peaks (3.81, 7.22, 117.09 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + H ALA 53 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 202 from nnoeabs.peaks (1.33, 7.22, 117.09 ppm; 4.01 A increased from 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 52 + H ALA 53 OK 100 100 100 100 3.6-3.8 1.8/203=86, 3863=82...(8) HG2 ARG 54 - H ALA 53 far 0 60 0 - 4.4-5.3 HB2 LEU 51 - H ALA 53 far 0 93 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 203 from nnoeabs.peaks (1.47, 7.22, 117.09 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 52 + H ALA 53 OK 99 100 100 99 2.6-2.8 1.8/202=61, 3864=58...(10) HB3 LEU 57 - H ALA 53 far 0 100 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 204 from nnoeabs.peaks (1.20, 7.22, 117.09 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 52 + H ALA 53 OK 100 100 100 100 4.2-4.4 668/200=80, 3.0/203=78...(9) QG2 VAL 65 - H ALA 53 far 0 89 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 205 from nnoeabs.peaks (0.44, 7.22, 117.09 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + H ALA 53 OK 100 100 100 100 4.4-4.6 3866=100, 3.1/203=80...(10) Violated in 0 structures by 0.00 A. Peak 206 from nnoeabs.peaks (0.51, 7.22, 117.09 ppm; 5.02 A increased from 4.72 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + H ALA 53 OK 100 100 100 100 4.7-4.7 3867=100, 2287/3.6=88...(10) Violated in 0 structures by 0.00 A. Peak 207 from nnoeabs.peaks (7.22, 7.53, 116.98 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + H ARG 54 OK 100 100 100 100 2.3-2.7 926=100, 673/209=49...(12) Violated in 0 structures by 0.00 A. Peak 208 from nnoeabs.peaks (4.16, 7.53, 116.98 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 53 + H ARG 54 OK 100 100 100 100 3.3-3.5 3.6=100 HA ASN 49 - H ARG 54 far 0 71 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 209 from nnoeabs.peaks (1.39, 7.53, 116.98 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.99: * QB ALA 53 + H ARG 54 OK 99 100 100 99 2.6-3.3 3.6=92, 673/926=67...(5) Violated in 0 structures by 0.00 A. Peak 210 from nnoeabs.peaks (7.53, 7.69, 117.85 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 54 + H TYR 55 OK 99 100 100 99 2.3-2.6 927=87, 676/212=33...(12) H LEU 51 - H TYR 55 far 0 100 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 211 from nnoeabs.peaks (4.01, 7.69, 117.85 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 54 + H TYR 55 OK 100 100 100 100 3.5-3.5 3.6=100 HA PHE 48 - H TYR 55 far 0 81 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 212 from nnoeabs.peaks (1.76, 7.69, 117.85 ppm; 3.85 A): 1 out of 5 assignments used, quality = 0.99: * HB2 ARG 54 + H TYR 55 OK 99 100 100 99 2.6-3.1 1.8/213=74, 676/210=70...(9) HG2 PRO 34 - H TYR 55 far 0 99 0 - 5.4-6.3 HB2 LEU 57 - H TYR 55 far 0 100 0 - 5.5-7.0 HB2 PRO 34 - H TYR 55 far 0 93 0 - 6.7-7.8 HB2 LEU 62 - H TYR 55 far 0 85 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 213 from nnoeabs.peaks (1.55, 7.69, 117.85 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 54 + H TYR 55 OK 100 100 100 100 3.2-3.6 1.8/212=75, 3872=65...(9) HG3 ARG 54 - H TYR 55 far 0 63 0 - 4.5-5.1 HG LEU 62 - H TYR 55 far 0 87 0 - 6.7-7.8 HG2 LYS 39 - H TYR 55 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (1.31, 7.69, 117.85 ppm; 5.20 A increased from 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 54 + H TYR 55 OK 100 100 100 100 4.8-4.9 4.8=100 HB2 LEU 52 - H TYR 55 far 3 60 5 - 5.2-5.9 HB2 LEU 51 - H TYR 55 far 0 92 0 - 6.3-6.9 QG2 THR 58 - H TYR 55 far 0 99 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 215 from nnoeabs.peaks (1.58, 7.69, 117.85 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.62: HB3 ARG 54 + H TYR 55 OK 62 63 100 99 3.2-3.6 1.8/212=76, 4.6=60...(9) ! HG3 ARG 54 - H TYR 55 far 0 100 0 - 4.5-5.1 HB3 LEU 51 - H TYR 55 far 0 76 0 - 5.9-6.4 HG LEU 62 - H TYR 55 far 0 97 0 - 6.7-7.8 HD2 LYS 39 - H TYR 55 far 0 99 0 - 8.9-12.7 HB3 LEU 62 - H TYR 55 far 0 96 0 - 9.2-10.3 HG2 LYS 39 - H TYR 55 far 0 63 0 - 9.8-10.5 HD3 LYS 39 - H TYR 55 far 0 99 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 218 from nnoeabs.peaks (4.67, 8.15, 124.80 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.98: * HA PRO 56 + H LEU 57 OK 98 100 100 98 2.4-2.4 3879=97, 4990/693=13...(5) Violated in 0 structures by 0.00 A. Peak 219 from nnoeabs.peaks (2.09, 8.15, 124.80 ppm; 4.35 A increased from 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 56 + H LEU 57 OK 100 100 100 100 4.2-4.3 4.0=100 HG3 PRO 56 - H LEU 57 far 0 100 0 - 5.8-5.8 HB2 GLU 59 - H LEU 57 far 0 100 0 - 8.9-9.5 HB3 MET 31 - H LEU 57 far 0 87 0 - 9.6-10.2 HB3 GLU 59 - H LEU 57 far 0 100 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 220 from nnoeabs.peaks (2.03, 8.15, 124.80 ppm; 4.67 A increased from 3.74 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 56 + H LEU 57 OK 100 100 100 100 4.5-4.6 4.0=100 HG2 PRO 56 + H LEU 57 OK 91 99 100 91 4.9-5.0 3.8/218=80, 2.3/5746=34 HG2 ARG 66 - H LEU 57 far 0 81 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 225 from nnoeabs.peaks (8.15, 9.06, 113.20 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H THR 58 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 226 from nnoeabs.peaks (4.76, 9.06, 113.20 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.89: * HA LEU 57 + H THR 58 OK 89 100 100 89 2.1-2.5 3.6=64, 3.0/228=35...(5) HB THR 58 - H THR 58 far 0 100 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 227 from nnoeabs.peaks (1.77, 9.06, 113.20 ppm; 4.22 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 57 + H THR 58 OK 100 100 100 100 3.4-4.2 4.2=100 HB2 LEU 62 - H THR 58 far 0 83 0 - 4.8-5.5 HB2 LYS 32 - H THR 58 far 0 99 0 - 6.5-7.5 HG2 PRO 34 - H THR 58 far 0 99 0 - 7.3-8.9 HB3 LYS 32 - H THR 58 far 0 99 0 - 7.8-8.9 HB2 PRO 34 - H THR 58 far 0 95 0 - 9.0-10.4 HB ILE 33 - H THR 58 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 228 from nnoeabs.peaks (1.47, 9.06, 113.20 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LEU 57 + H THR 58 OK 99 100 100 99 2.3-3.4 4.2=82, 3.0/226=74...(7) QB ALA 63 - H THR 58 far 0 87 0 - 7.2-7.5 HG12 ILE 33 - H THR 58 far 0 73 0 - 8.7-9.6 HB3 LEU 52 - H THR 58 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 230 from nnoeabs.peaks (0.71, 9.06, 113.20 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + H THR 58 OK 100 100 100 100 3.3-3.8 3888=73, 2457/226=66...(11) QD1 ILE 33 - H THR 58 far 0 100 0 - 5.5-6.3 Violated in 0 structures by 0.00 A. Peak 231 from nnoeabs.peaks (1.00, 9.06, 113.20 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + H THR 58 OK 100 100 100 100 4.6-5.3 4.8=100 Violated in 1 structures by 0.01 A. Peak 233 from nnoeabs.peaks (4.43, 9.11, 120.45 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.97: * HA THR 58 + H GLU 59 OK 97 100 100 97 2.3-2.5 3890=83, 3.0/234=51...(6) Violated in 0 structures by 0.00 A. Peak 234 from nnoeabs.peaks (4.76, 9.11, 120.45 ppm; 3.01 A): 1 out of 2 assignments used, quality = 0.85: * HB THR 58 + H GLU 59 OK 85 100 100 85 2.3-2.6 3.0/233=45, 2.1/235=42...(6) HA LEU 57 - H GLU 59 far 0 100 0 - 6.3-6.5 Violated in 0 structures by 0.00 A. Peak 235 from nnoeabs.peaks (1.31, 9.11, 120.45 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 58 + H GLU 59 OK 100 100 100 100 3.2-3.6 3892=97, 2.1/234=87...(9) HB2 LEU 52 - H GLU 59 far 0 76 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 236 from nnoeabs.peaks (9.11, 8.51, 114.41 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + H SER 60 OK 100 100 100 100 2.7-2.8 4.7=100 Violated in 0 structures by 0.00 A. Peak 237 from nnoeabs.peaks (4.04, 8.51, 114.41 ppm; 5.10 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 59 + H SER 60 OK 100 100 100 100 3.4-3.5 3.6=100 HA ALA 63 - H SER 60 far 0 89 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 238 from nnoeabs.peaks (2.09, 8.51, 114.41 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 59 + H SER 60 OK 96 100 100 96 3.1-4.0 4.6=77, 701/4.7=53...(7) HB3 GLU 59 + H SER 60 OK 91 100 100 91 3.3-4.1 4.6=77, 4997/3.0=27...(6) HB3 MET 31 - H SER 60 far 0 81 0 - 6.8-8.0 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 239 from nnoeabs.peaks (2.09, 8.51, 114.41 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 59 + H SER 60 OK 96 100 100 96 3.1-4.0 4.6=77, 701/4.7=53...(7) * HB3 GLU 59 + H SER 60 OK 91 100 100 91 3.3-4.1 4.6=77, 4997/3.0=27...(6) HB3 MET 31 - H SER 60 far 0 81 0 - 6.8-8.0 HB2 PRO 56 - H SER 60 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 242 from nnoeabs.peaks (8.51, 7.68, 122.99 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + H GLN 61 OK 100 100 100 100 2.4-2.6 931=100, 4.7/4644=39...(5) Violated in 0 structures by 0.00 A. Peak 243 from nnoeabs.peaks (4.28, 7.68, 122.99 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 60 + H GLN 61 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 64 - H GLN 61 far 0 87 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 244 from nnoeabs.peaks (3.84, 7.68, 122.99 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.99: * HB2 SER 60 + H GLN 61 OK 89 100 100 89 2.6-3.8 4.4=66, 3.8/931=40...(5) HB3 SER 60 + H GLN 61 OK 87 100 100 87 2.8-4.0 4.4=66, 3.8/931=40...(4) Violated in 0 structures by 0.00 A. Peak 245 from nnoeabs.peaks (3.84, 7.68, 122.99 ppm; 3.84 A): 2 out of 2 assignments used, quality = 0.99: HB2 SER 60 + H GLN 61 OK 89 100 100 89 2.6-3.8 4.4=66, 3.8/931=40...(5) * HB3 SER 60 + H GLN 61 OK 87 100 100 87 2.8-4.0 4.4=66, 3.8/931=40...(4) Violated in 0 structures by 0.00 A. Peak 246 from nnoeabs.peaks (7.68, 8.82, 120.20 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 61 + H LEU 62 OK 100 100 100 100 2.4-2.7 932=100, 711/248=41...(14) H TYR 55 - H LEU 62 far 0 99 0 - 9.3-10.5 H MET 31 - H LEU 62 far 0 71 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 247 from nnoeabs.peaks (3.96, 8.82, 120.20 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 61 + H LEU 62 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 66 - H LEU 62 far 0 96 0 - 8.6-9.2 HA ALA 28 - H LEU 62 far 0 99 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 248 from nnoeabs.peaks (2.53, 8.82, 120.20 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.99: * HB2 GLN 61 + H LEU 62 OK 99 100 100 99 2.4-2.6 1.8/249=69, 711/932=55...(10) HG3 MET 31 - H LEU 62 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 249 from nnoeabs.peaks (1.66, 8.82, 120.20 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 61 + H LEU 62 OK 99 100 100 99 3.3-3.7 1.8/248=80, 4.6=62...(8) Violated in 0 structures by 0.00 A. Peak 250 from nnoeabs.peaks (2.60, 8.82, 120.20 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + H LEU 62 OK 100 100 100 100 4.0-4.6 3.0/248=79, 3.0/249=76...(7) HG2 MET 31 - H LEU 62 far 0 73 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 254 from nnoeabs.peaks (8.82, 7.98, 119.93 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H ALA 63 OK 100 100 100 100 2.8-2.9 933=100, 719/3907=50...(13) Violated in 0 structures by 0.00 A. Peak 255 from nnoeabs.peaks (3.92, 7.98, 119.93 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + H ALA 63 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 256 from nnoeabs.peaks (1.75, 7.98, 119.93 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 62 + H ALA 63 OK 100 100 100 100 2.7-3.3 3907=100, 1.8/258=72...(12) HB2 LEU 57 - H ALA 63 far 0 83 0 - 5.9-6.6 Violated in 0 structures by 0.00 A. Peak 257 from nnoeabs.peaks (1.59, 7.98, 119.93 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + H ALA 63 OK 100 100 100 100 2.8-3.4 3765=98, 1.8/3907=75...(11) HG LEU 62 - H ALA 63 far 0 78 0 - 4.9-5.0 Violated in 0 structures by 0.00 A. Peak 258 from nnoeabs.peaks (1.57, 7.98, 119.93 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.78: HB3 LEU 62 + H ALA 63 OK 78 78 100 100 2.8-3.4 3765=93, 1.8/3907=75...(11) ! HG LEU 62 - H ALA 63 far 0 100 0 - 4.9-5.0 HG LEU 64 - H ALA 63 far 0 68 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 259 from nnoeabs.peaks (0.93, 7.98, 119.93 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 62 + H ALA 63 OK 100 100 100 100 4.2-4.9 3910=100, 3.1/3907=88...(11) QD1 LEU 64 - H ALA 63 far 0 71 0 - 6.5-6.6 QG2 ILE 40 - H ALA 63 far 0 100 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 260 from nnoeabs.peaks (0.87, 7.98, 119.93 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + H ALA 63 OK 100 100 100 100 4.2-4.8 3.1/3907=83, 3.1/258=81...(11) Violated in 1 structures by 0.01 A. Peak 261 from nnoeabs.peaks (7.98, 7.42, 119.17 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 63 + H LEU 64 OK 100 100 100 100 2.7-2.9 934=100, 726/263=62...(8) H ARG 69 - H LEU 64 far 0 100 0 - 8.0-8.4 H ARG 70 - H LEU 64 far 0 71 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 262 from nnoeabs.peaks (4.06, 7.42, 119.17 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 63 + H LEU 64 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 59 - H LEU 64 far 0 89 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 263 from nnoeabs.peaks (1.49, 7.42, 119.17 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.98: * QB ALA 63 + H LEU 64 OK 98 100 100 98 2.3-2.8 3913=84, 726/934=57...(11) HB3 LEU 57 - H LEU 64 far 0 87 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 264 from nnoeabs.peaks (7.42, 8.38, 117.58 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + H VAL 65 OK 100 100 100 100 2.4-2.7 935=81, 729/266=46...(13) H LEU 52 - H VAL 65 far 0 97 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 265 from nnoeabs.peaks (4.26, 8.38, 117.58 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + H VAL 65 OK 100 100 100 100 3.5-3.5 3.6=100 HA SER 60 - H VAL 65 far 0 87 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 266 from nnoeabs.peaks (1.97, 8.38, 117.58 ppm; 3.41 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LEU 64 + H VAL 65 OK 99 100 100 99 2.6-2.8 3915=59, 1.8/267=53...(13) QE MET 31 - H VAL 65 far 0 87 0 - 4.9-5.6 HG LEU 57 - H VAL 65 far 0 89 0 - 7.8-8.3 HB3 ARG 70 - H VAL 65 far 0 89 0 - 8.9-11.7 HB2 ARG 70 - H VAL 65 far 0 89 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 267 from nnoeabs.peaks (1.70, 8.38, 117.58 ppm; 4.08 A increased from 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + H VAL 65 OK 100 100 100 100 4.0-4.1 1.8/266=91, 3916=84...(13) HG3 ARG 66 - H VAL 65 far 0 100 0 - 5.3-6.2 HG2 ARG 70 - H VAL 65 far 0 97 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 268 from nnoeabs.peaks (1.54, 8.38, 117.58 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + H VAL 65 OK 100 100 100 100 3.8-4.0 3.0/266=74, 2.1/269=72...(9) HG LEU 62 - H VAL 65 far 0 68 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 269 from nnoeabs.peaks (0.84, 8.38, 117.58 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + H VAL 65 OK 100 100 100 100 3.3-3.8 2.1/268=72, 3.1/266=71...(13) QD1 LEU 43 - H VAL 65 far 0 92 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 270 from nnoeabs.peaks (0.95, 8.38, 117.58 ppm; 4.99 A increased from 4.20 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + H VAL 65 OK 100 100 100 100 4.8-4.9 3919=100, 2.1/269=92...(12) QD2 LEU 62 - H VAL 65 far 4 71 5 - 4.8-6.2 QG2 ILE 40 - H VAL 65 far 4 71 5 - 5.2-5.8 QG2 VAL 41 - H VAL 65 far 0 83 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 271 from nnoeabs.peaks (8.38, 8.59, 117.85 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + H ARG 66 OK 100 100 100 100 2.6-2.7 936=96, 736/273=49...(10) Violated in 0 structures by 0.00 A. Peak 272 from nnoeabs.peaks (3.63, 8.59, 117.85 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 65 + H ARG 66 OK 100 100 100 100 3.5-3.5 3.6=100 HA ARG 69 - H ARG 66 far 0 100 0 - 7.4-7.7 HA ILE 40 - H ARG 66 far 0 100 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 273 from nnoeabs.peaks (2.39, 8.59, 117.85 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.98: * HB VAL 65 + H ARG 66 OK 98 100 100 98 2.8-3.0 3921=67, 736/271=55...(10) HG2 GLU 59 - H ARG 66 far 0 97 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (1.23, 8.59, 117.85 ppm; 3.89 A increased from 3.66 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + H ARG 66 OK 100 100 100 100 3.8-3.9 4.1=87, 2.1/273=77...(12) QG2 VAL 65 + H ARG 66 OK 83 83 100 100 3.7-3.8 4.1=87, 2.1/273=77...(11) HG13 ILE 40 - H ARG 66 far 0 100 0 - 6.7-7.3 HG2 ARG 69 - H ARG 66 far 0 99 0 - 8.0-8.4 HG13 ILE 33 - H ARG 66 far 0 95 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 275 from nnoeabs.peaks (1.21, 8.59, 117.85 ppm; 3.91 A increased from 3.47 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 65 + H ARG 66 OK 100 100 100 100 3.7-3.8 4.1=88, 2.1/273=77...(10) QG1 VAL 65 + H ARG 66 OK 83 83 100 100 3.8-3.9 4.1=88, 2.1/273=77...(12) HG13 ILE 40 - H ARG 66 far 0 85 0 - 6.7-7.3 HG LEU 52 - H ARG 66 far 0 89 0 - 6.7-7.5 HG2 ARG 69 - H ARG 66 far 0 63 0 - 8.0-8.4 HG13 ILE 33 - H ARG 66 far 0 99 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 276 from nnoeabs.peaks (8.59, 7.93, 121.56 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + H ASP 67 OK 100 100 100 100 2.4-2.4 937=100, 741/278=39...(18) Violated in 0 structures by 0.00 A. Peak 277 from nnoeabs.peaks (3.98, 7.93, 121.56 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 66 + H ASP 67 OK 100 100 100 100 3.5-3.5 3.6=100 HA ARG 70 - H ASP 67 far 0 71 0 - 7.3-7.9 HA GLN 61 - H ASP 67 far 0 96 0 - 7.7-8.2 HA2 GLY 72 - H ASP 67 far 0 93 0 - 8.5-11.2 HA ALA 28 - H ASP 67 far 0 85 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 278 from nnoeabs.peaks (1.88, 7.93, 121.56 ppm; 3.98 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 66 + H ASP 67 OK 100 100 100 100 3.7-3.9 3925=73, 1.8/279=67...(10) HB ILE 68 - H ASP 67 far 0 81 0 - 4.6-4.7 HB2 ARG 71 - H ASP 67 far 0 76 0 - 6.4-8.4 HB3 ARG 71 - H ASP 67 far 0 78 0 - 6.6-8.7 HB3 ARG 27 - H ASP 67 far 0 78 0 - 7.7-8.5 HB2 ARG 27 - H ASP 67 far 0 76 0 - 8.4-9.8 HG12 ILE 40 - H ASP 67 far 0 60 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 279 from nnoeabs.peaks (1.94, 7.93, 121.56 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.99: * HB3 ARG 66 + H ASP 67 OK 99 100 100 99 2.9-3.0 1.8/278=69, 742/937=59...(13) HG13 ILE 68 - H ASP 67 poor 20 87 25 90 4.0-4.3 2770/284=44, 2.1/5803=37...(9) HB3 ARG 70 - H ASP 67 far 0 95 0 - 5.1-7.8 HB2 ARG 70 - H ASP 67 far 0 95 0 - 5.8-7.5 HB2 MET 31 - H ASP 67 far 0 99 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 280 from nnoeabs.peaks (2.01, 7.93, 121.56 ppm; 4.70 A increased from 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 66 + H ASP 67 OK 100 100 100 100 4.4-4.7 743/937=81, 2.8/278=80...(11) HD2 ARG 69 - H ASP 67 far 0 83 0 - 6.4-8.6 HD3 ARG 69 - H ASP 67 far 0 83 0 - 6.5-8.6 QE MET 31 - H ASP 67 far 0 81 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 281 from nnoeabs.peaks (1.70, 7.93, 121.56 ppm; 5.38 A increased from 4.78 A): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 66 + H ASP 67 OK 100 100 100 100 4.9-5.2 5802=100, 1.8/280=94...(13) HB3 LEU 64 + H ASP 67 OK 99 100 100 99 5.4-5.6 3.0/4737=88...(7) HG2 ARG 70 + H ASP 67 OK 49 95 55 94 4.6-7.4 5052/3.0=73, ~5050=31...(8) Violated in 0 structures by 0.00 A. Peak 284 from nnoeabs.peaks (7.93, 8.44, 120.04 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.99: * H ASP 67 + H ILE 68 OK 99 100 100 99 2.4-2.6 938=80, 749/286=43...(13) H ARG 70 - H ILE 68 far 0 78 0 - 4.1-4.8 Violated in 0 structures by 0.00 A. Peak 285 from nnoeabs.peaks (4.48, 8.44, 120.04 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 67 + H ILE 68 OK 100 100 100 100 3.5-3.6 3.6=100 HA ASP 24 - H ILE 68 far 0 97 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 286 from nnoeabs.peaks (2.90, 8.44, 120.04 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ASP 67 + H ILE 68 OK 99 100 100 99 3.1-3.6 3932=76, 1.8/287=75...(7) HB3 PHE 48 - H ILE 68 far 0 90 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 287 from nnoeabs.peaks (2.84, 8.44, 120.04 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 67 + H ILE 68 OK 99 100 100 99 2.4-3.0 1.8/286=72, 3933=63...(9) HB2 ASN 74 - H ILE 68 far 0 65 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 288 from nnoeabs.peaks (8.44, 7.98, 119.32 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + H ARG 69 OK 100 100 100 100 2.5-2.8 939=100, 2749/290=46...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 290 from nnoeabs.peaks (1.90, 7.98, 119.32 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.98: * HB ILE 68 + H ARG 69 OK 98 100 100 98 2.6-3.0 3935=61, 2.1/291=53...(11) HG13 ILE 68 - H ARG 69 far 0 65 0 - 4.2-4.4 HB2 ARG 66 - H ARG 69 far 0 81 0 - 5.3-5.8 HG12 ILE 40 - H ARG 69 far 0 99 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 291 from nnoeabs.peaks (0.81, 7.98, 119.32 ppm; 3.83 A increased from 3.61 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 68 + H ARG 69 OK 100 100 100 100 3.3-3.6 2.1/290=81, 4.1=80...(15) QD1 ILE 68 - H ARG 69 far 0 63 0 - 4.4-4.8 QG1 VAL 41 - H ARG 69 far 0 95 0 - 5.6-6.4 QD1 LEU 43 - H ARG 69 far 0 81 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 292 from nnoeabs.peaks (0.92, 7.98, 119.32 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.97: QG2 ILE 40 + H ARG 69 OK 97 98 100 99 2.4-3.0 4326=68, 4298/4.1=41...(17) QG2 VAL 41 - H ARG 69 far 0 93 0 - 3.9-4.6 ! HG12 ILE 68 - H ARG 69 far 0 100 0 - 5.0-5.2 QG2 VAL 76 - H ARG 69 far 0 100 0 - 7.9-12.7 QD2 LEU 62 - H ARG 69 far 0 98 0 - 8.0-9.9 QG1 VAL 76 - H ARG 69 far 0 100 0 - 8.8-11.3 HG LEU 51 - H ARG 69 far 0 60 0 - 9.4-11.1 QD2 LEU 43 - H ARG 69 far 0 73 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 293 from nnoeabs.peaks (1.92, 7.98, 119.32 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.64: HB ILE 68 + H ARG 69 OK 64 65 100 97 2.6-3.0 2.1/291=57, 4.4=46...(11) ! HG13 ILE 68 - H ARG 69 far 0 100 0 - 4.2-4.4 HB3 ARG 66 - H ARG 69 far 0 87 0 - 5.7-6.0 HG12 ILE 40 - H ARG 69 far 0 85 0 - 6.3-6.9 HB VAL 41 - H ARG 69 far 0 99 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 294 from nnoeabs.peaks (0.78, 7.98, 119.32 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.63: QG2 ILE 68 + H ARG 69 OK 63 63 100 100 3.3-3.6 4.1=82, 2.1/290=81...(14) ! QD1 ILE 68 - H ARG 69 far 0 100 0 - 4.4-4.8 QG1 VAL 41 - H ARG 69 far 0 92 0 - 5.6-6.4 Violated in 0 structures by 0.00 A. Peak 295 from nnoeabs.peaks (7.98, 7.95, 118.23 ppm; 2.90 A increased from 2.73 A): 1 out of 4 assignments used, quality = 0.91: * H ARG 69 + H ARG 70 OK 91 100 100 91 2.5-2.9 760/297=32, 761/298=28...(14) H GLY 72 - H ARG 70 far 0 99 0 - 3.7-4.8 H LYS 73 - H ARG 70 far 0 93 0 - 4.5-5.2 H VAL 76 - H ARG 70 far 0 76 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 296 from nnoeabs.peaks (3.63, 7.95, 118.23 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + H ARG 70 OK 100 100 100 100 3.5-3.6 3.6=100 HA VAL 65 - H ARG 70 far 0 100 0 - 6.7-7.2 HA ILE 40 - H ARG 70 far 0 100 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 297 from nnoeabs.peaks (1.80, 7.95, 118.23 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ARG 69 + H ARG 70 OK 99 100 100 99 2.3-3.6 3941=66, 1.8/298=64...(13) HB2 LYS 73 - H ARG 70 far 0 83 0 - 4.4-5.6 HB3 LYS 73 - H ARG 70 far 0 71 0 - 5.5-7.2 HB3 LYS 75 - H ARG 70 far 0 92 0 - 8.4-10.1 Violated in 2 structures by 0.00 A. Peak 298 from nnoeabs.peaks (1.39, 7.95, 118.23 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 69 + H ARG 70 OK 100 100 100 100 2.2-4.1 1.8/297=83, 4.3=81...(15) HG3 ARG 69 - H ARG 70 far 0 87 0 - 4.5-4.9 HG3 LYS 73 - H ARG 70 far 0 99 0 - 6.1-8.2 QB ALA 77 - H ARG 70 far 0 85 0 - 8.3-10.0 HG3 LYS 75 - H ARG 70 far 0 100 0 - 8.4-12.5 HG2 LYS 75 - H ARG 70 far 0 100 0 - 10.0-12.7 Violated in 4 structures by 0.01 A. Peak 300 from nnoeabs.peaks (1.38, 7.95, 118.23 ppm; 4.14 A increased from 3.90 A): 1 out of 6 assignments used, quality = 0.87: HB3 ARG 69 + H ARG 70 OK 87 87 100 100 2.2-4.1 4.3=93, 1.8/297=88...(15) ! HG3 ARG 69 - H ARG 70 far 0 100 0 - 4.5-4.9 HG3 LYS 73 - H ARG 70 far 0 97 0 - 6.1-8.2 QB ALA 77 - H ARG 70 far 0 100 0 - 8.3-10.0 HG3 LYS 75 - H ARG 70 far 0 95 0 - 8.4-12.5 HG2 LYS 75 - H ARG 70 far 0 95 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 303 from nnoeabs.peaks (7.95, 8.11, 117.98 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + H ARG 71 OK 100 100 100 100 2.4-2.9 5390=100, 940/5825=40...(14) H ASP 67 - H ARG 71 far 0 78 0 - 5.6-6.3 H VAL 76 - H ARG 71 far 0 99 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 304 from nnoeabs.peaks (4.00, 8.11, 117.98 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 70 + H ARG 71 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 66 - H ARG 71 far 0 71 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 305 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.99 A increased from 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 70 + H ARG 71 OK 99 100 100 99 2.1-4.2 4.4=73, 2.9/307=55...(12) HB3 ARG 70 + H ARG 71 OK 99 100 100 99 2.3-4.0 4.4=73, 2.9/307=55...(12) HB VAL 41 - H ARG 71 far 0 71 0 - 7.3-9.0 HB3 ARG 66 - H ARG 71 far 0 95 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 306 from nnoeabs.peaks (1.95, 8.11, 117.98 ppm; 3.99 A increased from 3.36 A): 2 out of 4 assignments used, quality = 1.00: HB2 ARG 70 + H ARG 71 OK 99 100 100 99 2.1-4.2 4.4=73, 2.9/307=55...(12) * HB3 ARG 70 + H ARG 71 OK 99 100 100 99 2.3-4.0 4.4=73, 2.9/307=55...(12) HB VAL 41 - H ARG 71 far 0 71 0 - 7.3-9.0 HB3 ARG 66 - H ARG 71 far 0 95 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 307 from nnoeabs.peaks (1.71, 8.11, 117.98 ppm; 4.29 A increased from 4.04 A): 1 out of 2 assignments used, quality = 0.99: * HG2 ARG 70 + H ARG 71 OK 99 100 100 99 2.3-4.0 5.0=63, 2844/3.6=62...(13) HG3 ARG 66 - H ARG 71 far 0 95 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 308 from nnoeabs.peaks (1.61, 8.11, 117.98 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.96: HG2 ARG 71 + H ARG 71 OK 94 99 95 100 2.0-4.4 1.8/779=81, 2.8/776=72...(18) * HG3 ARG 70 + H ARG 71 OK 39 100 40 98 2.8-5.0 1.8/307=61, 2873/3.6=49...(12) HD3 LYS 73 - H ARG 71 far 0 100 0 - 6.3-9.8 HD2 LYS 73 - H ARG 71 far 0 100 0 - 7.2-9.4 HG3 ARG 27 - H ARG 71 far 0 83 0 - 8.2-11.7 HG2 ARG 27 - H ARG 71 far 0 85 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 312 from nnoeabs.peaks (4.08, 7.99, 106.73 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 71 + H GLY 72 OK 100 100 100 100 3.4-3.6 3.6=100 HA GLU 25 - H GLY 72 far 0 95 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 313 from nnoeabs.peaks (1.85, 7.99, 106.73 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.95: HB3 ARG 71 + H GLY 72 OK 80 100 85 94 2.7-4.1 4.4=57, 4.0/942=45...(9) * HB2 ARG 71 + H GLY 72 OK 76 100 80 95 2.1-4.1 776/942=58, 4.4=57...(10) HB2 LYS 75 - H GLY 72 far 0 97 0 - 5.0-7.3 HB2 ARG 66 - H GLY 72 far 0 76 0 - 8.6-10.4 HB2 ARG 27 - H GLY 72 far 0 100 0 - 8.7-11.2 HB2 ARG 23 - H GLY 72 far 0 99 0 - 9.1-13.8 HB3 ARG 27 - H GLY 72 far 0 100 0 - 9.2-11.0 HB3 ARG 23 - H GLY 72 far 0 100 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 314 from nnoeabs.peaks (1.85, 7.99, 106.73 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.95: * HB3 ARG 71 + H GLY 72 OK 80 100 85 94 2.7-4.1 4.4=57, 4.0/942=45...(9) HB2 ARG 71 + H GLY 72 OK 76 100 80 95 2.1-4.1 776/942=58, 4.4=57...(10) HB2 LYS 75 - H GLY 72 far 0 97 0 - 5.0-7.3 HB2 ARG 66 - H GLY 72 far 0 78 0 - 8.6-10.4 HB2 ARG 27 - H GLY 72 far 0 100 0 - 8.7-11.2 HB2 ARG 23 - H GLY 72 far 0 99 0 - 9.1-13.8 HB3 ARG 27 - H GLY 72 far 0 100 0 - 9.2-11.0 HB3 ARG 23 - H GLY 72 far 0 99 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 320 from nnoeabs.peaks (3.96, 8.00, 120.49 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 72 + H LYS 73 OK 100 100 100 100 2.7-3.6 3.6=100 HA VAL 76 - H LYS 73 far 0 100 0 - 7.5-8.3 HA ARG 66 - H LYS 73 far 0 93 0 - 8.4-9.5 HA THR 37 - H LYS 73 far 0 65 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 321 from nnoeabs.peaks (3.74, 8.00, 120.49 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 72 + H LYS 73 OK 100 100 100 100 2.7-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 322 from nnoeabs.peaks (8.00, 8.15, 119.01 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + H ASN 74 OK 100 100 100 100 2.3-2.8 944=100, 787/324=64...(5) H GLY 72 + H ASN 74 OK 47 99 90 53 3.5-4.7 4.5/944=45, 3.6/6153=10 H ALA 30 - H ARG 26 far 0 50 0 - 6.0-6.1 H ARG 69 - H ASN 74 far 0 93 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 323 from nnoeabs.peaks (4.18, 8.15, 119.01 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.99: * HA LYS 73 + H ASN 74 OK 99 99 100 100 3.5-3.6 3.6=100 HA LEU 29 - H ARG 26 far 0 34 0 - 7.8-7.8 HA ALA 78 - H ASN 74 far 0 81 0 - 8.1-10.9 HB THR 15 - H ARG 26 far 0 44 0 - 9.7-23.6 Violated in 0 structures by 0.00 A. Peak 324 from nnoeabs.peaks (1.82, 8.15, 119.01 ppm; 4.05 A): 1 out of 6 assignments used, quality = 0.99: * HB2 LYS 73 + H ASN 74 OK 99 100 100 99 2.8-3.8 4.3=84, 1.8/325=61...(7) HB2 LYS 75 - H ASN 74 far 0 83 0 - 4.5-6.1 HB3 ARG 23 - H ARG 26 far 0 34 0 - 5.3-6.1 HB2 ARG 23 - H ARG 26 far 0 36 0 - 5.6-6.5 HB2 ARG 69 - H ASN 74 far 0 83 0 - 7.2-8.8 HB2 ARG 17 - H ARG 26 far 0 46 0 - 8.6-16.2 Violated in 0 structures by 0.00 A. Peak 325 from nnoeabs.peaks (1.78, 8.15, 119.01 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 73 + H ASN 74 OK 99 100 100 99 2.4-3.4 4.3=80, 1.8/324=74...(7) HG3 ARG 26 + H ARG 26 OK 26 28 100 94 2.0-2.8 4.9=53, 1.8/1382=32...(16) HB3 LYS 75 - H ASN 74 far 0 97 0 - 4.5-5.5 HG3 ARG 71 - H ASN 74 far 0 68 0 - 5.5-7.5 HB2 ARG 69 - H ASN 74 far 0 71 0 - 7.2-8.8 HB ILE 33 - H ARG 26 far 0 55 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (1.39, 8.15, 119.01 ppm; 4.94 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 73 + H ASN 74 OK 100 100 100 100 4.4-5.0 2.9/324=82, 2963/3.6=82...(7) QB ALA 77 + H ASN 74 OK 90 96 95 99 4.1-5.3 6040/3.0=87, ~16039=39...(8) QB ALA 20 - H ARG 26 far 5 54 10 - 4.4-9.0 HG3 LYS 75 - H ASN 74 far 5 100 5 - 3.7-7.3 HG2 LYS 75 - H ASN 74 far 5 100 5 - 5.0-7.4 HG3 ARG 69 - H ASN 74 far 0 97 0 - 6.3-9.0 QB ALA 78 - H ASN 74 far 0 100 0 - 6.3-9.4 HB3 ARG 69 - H ASN 74 far 0 99 0 - 7.1-8.8 QB ALA 16 - H ARG 26 far 0 30 0 - 7.8-15.8 Violated in 0 structures by 0.00 A. Peak 333 from nnoeabs.peaks (4.62, 8.09, 121.69 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 74 + H LYS 75 OK 100 100 100 100 3.4-3.5 3.6=100 HA ASN 80 - H LYS 85 far 0 52 0 - 7.4-15.8 Violated in 0 structures by 0.00 A. Peak 334 from nnoeabs.peaks (2.81, 8.09, 121.69 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.92: * HB2 ASN 74 + H LYS 75 OK 86 100 100 86 2.8-4.2 4.6=73, 797/4.6=30...(5) HB3 ASN 74 + H LYS 75 OK 46 57 100 81 2.6-4.2 4.6=73, 797/4.6=17...(5) Violated in 0 structures by 0.00 A. Peak 335 from nnoeabs.peaks (2.78, 8.09, 121.69 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.95: * HB3 ASN 74 + H LYS 75 OK 89 100 100 89 2.6-4.2 4.6=79, 798/4.6=31...(6) HB2 ASN 74 + H LYS 75 OK 50 57 100 87 2.8-4.2 4.6=79, 798/4.6=17...(5) HB3 ASN 80 - H LYS 85 far 0 31 0 - 7.3-15.9 HB3 ASN 80 - H LYS 75 far 0 71 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 339 from nnoeabs.peaks (4.24, 7.96, 120.67 ppm; 3.65 A increased from 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 75 + H VAL 76 OK 100 100 100 100 3.4-3.6 3.6=100 HA ALA 77 - H VAL 76 far 0 97 0 - 4.5-5.3 Violated in 0 structures by 0.00 A. Peak 340 from nnoeabs.peaks (1.84, 7.96, 120.67 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LYS 75 + H VAL 76 OK 98 100 100 98 2.6-3.7 3976=71, 1.8/3977=66...(9) HB2 LYS 73 - H VAL 76 far 0 83 0 - 5.4-6.3 HB3 ARG 71 - H VAL 76 far 0 97 0 - 7.4-10.2 HB2 ARG 71 - H VAL 76 far 0 97 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 341 from nnoeabs.peaks (1.79, 7.96, 120.67 ppm; 4.02 A increased from 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 75 + H VAL 76 OK 100 100 100 100 2.1-4.0 3977=100, 1.8/3976=72...(9) HB3 LYS 73 - H VAL 76 far 0 97 0 - 4.7-5.7 Violated in 0 structures by 0.00 A. Peak 349 from nnoeabs.peaks (3.97, 8.23, 126.87 ppm; 3.37 A increased from 3.17 A): 1 out of 2 assignments used, quality = 0.98: * HA VAL 76 + H ALA 77 OK 98 100 100 98 2.2-3.5 3.6=84, 3.0/5411=44...(11) HA2 GLY 72 - H ALA 77 far 0 100 0 - 6.9-8.9 Violated in 3 structures by 0.01 A. Peak 350 from nnoeabs.peaks (2.04, 8.23, 126.87 ppm; 4.42 A increased from 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 76 + H ALA 77 OK 100 100 100 100 3.7-4.4 4.4=98, 3.0/349=81...(8) HD3 ARG 69 - H ALA 77 far 0 93 0 - 9.0-15.2 Violated in 1 structures by 0.00 A. Peak 351 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 4.46 A increased from 3.76 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 76 + H ALA 77 OK 100 100 100 100 2.4-4.4 4.3=100 QG2 VAL 76 + H ALA 77 OK 100 100 100 100 3.1-4.2 4.3=100 QG2 VAL 41 - H ALA 77 far 0 93 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 352 from nnoeabs.peaks (0.92, 8.23, 126.87 ppm; 4.46 A increased from 3.76 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 76 + H ALA 77 OK 100 100 100 100 2.4-4.4 4.3=100 * QG2 VAL 76 + H ALA 77 OK 100 100 100 100 3.1-4.2 4.3=100 QG2 VAL 41 - H ALA 77 far 0 93 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 354 from nnoeabs.peaks (4.23, 8.15, 122.77 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.63: HA ALA 78 + H ALA 78 OK 63 63 100 100 2.8-2.9 2.9=100 ! HA ALA 77 - H ALA 78 far 0 100 0 - 3.4-3.6 HA LYS 75 - H ALA 78 far 0 97 0 - 3.4-7.3 HA LYS 83 - H ALA 78 far 0 98 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 355 from nnoeabs.peaks (1.38, 8.15, 122.77 ppm; 2.85 A): 2 out of 7 assignments used, quality = 0.97: QB ALA 78 + H ALA 78 OK 89 96 100 93 2.0-2.3 2.9=92, 3.6/5857=12, 4.6/3185=9 * QB ALA 77 + H ALA 78 OK 70 100 100 70 2.5-3.1 3.6=51, 2.1/3988=28, 2.9/5857=16 HG2 LYS 75 - H ALA 78 far 0 93 0 - 5.1-8.9 HG3 LYS 75 - H ALA 78 far 0 93 0 - 5.1-10.0 HG3 LYS 73 - H ALA 78 far 0 96 0 - 7.4-10.3 HG2 LYS 83 - H ALA 78 far 0 99 0 - 7.6-14.5 HG2 LYS 85 - H ALA 78 far 0 100 0 - 9.0-20.9 Violated in 0 structures by 0.00 A. Peak 357 from nnoeabs.peaks (4.21, 8.22, 118.71 ppm; 4.57 A): 3 out of 6 assignments used, quality = 1.00: * HA ALA 78 + H GLN 79 OK 100 100 100 100 3.4-3.6 3.6=100 HA GLN 79 + H GLN 79 OK 98 98 100 100 2.8-2.9 3.0=100 HA ALA 77 + H GLN 79 OK 33 65 90 56 3.5-5.2 3.6/5857=30, 6154/4.6=22...(5) HA ARG 84 - H GLN 79 far 0 78 0 - 5.6-16.4 HA LYS 73 - H GLN 79 far 0 69 0 - 7.3-9.7 HA LYS 85 - H GLN 79 far 0 76 0 - 8.4-19.7 Violated in 0 structures by 0.00 A. Peak 358 from nnoeabs.peaks (1.39, 8.22, 118.71 ppm; 3.96 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 78 + H GLN 79 OK 100 100 100 100 2.2-3.0 3.6=100 QB ALA 77 - H GLN 79 far 5 96 5 - 4.2-5.1 HG2 LYS 75 - H GLN 79 far 0 100 0 - 5.3-9.7 HG3 LYS 75 - H GLN 79 far 0 100 0 - 6.6-10.6 HG2 LYS 83 - H GLN 79 far 0 85 0 - 6.7-13.1 HG2 LYS 85 - H GLN 79 far 0 97 0 - 7.5-19.7 HG3 LYS 73 - H GLN 79 far 0 100 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. Peak 359 from nnoeabs.peaks (4.18, 8.31, 123.08 ppm; 5.63 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 82 + H LYS 83 OK 100 100 100 100 2.1-3.5 3.6=100 HA ARG 84 + H LYS 83 OK 70 99 100 70 4.7-5.7 3.9/5896=70 HA GLN 79 - H LYS 83 far 4 83 5 - 5.3-11.7 HA ALA 78 - H LYS 83 far 3 60 5 - 5.6-10.7 Violated in 0 structures by 0.00 A. Peak 360 from nnoeabs.peaks (1.69, 8.31, 123.08 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 82 + H LYS 83 OK 100 100 100 100 2.1-4.5 4.4=100 HB3 LYS 83 + H LYS 83 OK 76 76 100 100 2.5-3.9 4.0=100 HB3 LYS 85 - H LYS 83 far 0 63 0 - 6.3-10.5 Violated in 0 structures by 0.00 A. Peak 361 from nnoeabs.peaks (1.76, 8.31, 123.08 ppm; 3.86 A): 2 out of 2 assignments used, quality = 0.94: HB2 LYS 83 + H LYS 83 OK 85 90 100 95 2.2-3.8 4.0=88, 1.8/833=45...(4) * HB3 ARG 82 + H LYS 83 OK 57 100 65 87 2.8-4.6 4.4=66, 5479/5.0=40...(4) Violated in 0 structures by 0.00 A. Peak 367 from nnoeabs.peaks (4.24, 8.20, 122.31 ppm; 4.09 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 83 + H ARG 84 OK 100 100 100 100 2.1-2.6 3.6=100 HB THR 37 - H ALA 28 far 3 65 5 - 4.4-6.4 HA LYS 85 - H ARG 84 far 0 93 0 - 4.7-6.3 HA ALA 20 - H ALA 28 far 0 69 0 - 8.0-13.9 HA LEU 64 - H ALA 28 far 0 71 0 - 8.7-9.4 HA GLU 19 - H ALA 28 far 0 76 0 - 9.4-15.6 HA ALA 77 - H ARG 84 far 0 97 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 368 from nnoeabs.peaks (1.78, 8.20, 122.31 ppm; 3.80 A): 2 out of 7 assignments used, quality = 0.91: HB3 ARG 84 + H ARG 84 OK 80 81 100 99 2.6-3.9 4.0=88, 1.8/842=47...(13) * HB2 LYS 83 + H ARG 84 OK 55 100 65 84 2.5-4.5 4.3=70, 1.8/369=32, 832/4.6=22 HB2 LYS 85 - H ARG 84 far 0 81 0 - 4.1-7.6 HB3 ARG 82 - H ARG 84 far 0 90 0 - 5.5-7.8 HB ILE 33 - H ALA 28 far 0 77 0 - 5.6-6.6 HB2 LYS 32 - H ALA 28 far 0 83 0 - 9.5-9.7 HB3 LYS 32 - H ALA 28 far 0 83 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.72, 8.20, 122.31 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.99: HB2 ARG 84 + H ARG 84 OK 97 98 100 99 2.3-4.0 4.0=83, 1.8/843=50...(15) * HB3 LYS 83 + H ARG 84 OK 69 100 85 81 2.1-4.3 4.3=66, 1.8/368=29, 833/4.6=21 HB3 LYS 85 - H ARG 84 far 0 100 0 - 4.7-7.4 HB2 ARG 82 - H ARG 84 far 0 76 0 - 4.8-7.5 HB2 LEU 29 - H ALA 28 far 0 86 0 - 5.9-6.0 HB3 LEU 64 - H ALA 28 far 0 65 0 - 7.6-8.2 HB3 ARG 17 - H ALA 28 far 0 52 0 - 8.0-15.9 Violated in 0 structures by 0.00 A. Peak 377 from nnoeabs.peaks (4.18, 8.11, 122.06 ppm; 3.51 A): 1 out of 7 assignments used, quality = 0.98: * HA ARG 84 + H LYS 85 OK 98 100 100 98 2.1-3.6 3.6=95, 3.0/378=21...(8) HA LYS 73 - H LYS 75 far 8 52 15 - 3.6-4.5 HA GLN 79 - H LYS 85 far 5 95 5 - 3.5-16.5 HA ALA 78 - H LYS 75 far 0 35 0 - 7.0-10.5 HA ARG 82 - H LYS 85 far 0 99 0 - 7.4-9.9 HA ALA 78 - H LYS 85 far 0 78 0 - 7.4-16.7 HA GLN 79 - H LYS 75 far 0 47 0 - 9.5-11.7 Violated in 1 structures by 0.00 A. Peak 378 from nnoeabs.peaks (1.73, 8.11, 122.06 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.98: HB3 LYS 85 + H LYS 85 OK 94 100 100 94 2.2-4.0 4.0=80, 387/4.7=33...(7) * HB2 ARG 84 + H LYS 85 OK 70 100 75 93 2.2-4.5 3.0/377=61, 4.6=53...(8) HB3 LYS 83 - H LYS 85 far 5 98 5 - 4.0-7.7 HG3 ARG 71 - H LYS 75 far 0 31 0 - 5.7-8.4 HG2 ARG 70 - H LYS 75 far 0 41 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. Peak 379 from nnoeabs.peaks (1.80, 8.11, 122.06 ppm; 3.79 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.2-3.8 4.0=82, 1.8/851=43...(7) * HB3 ARG 84 + H LYS 85 OK 90 100 95 94 2.3-4.2 3.0/377=62, 4.6=55...(8) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.2-3.0 4.0=85, 3977/4.6=33...(13) HB3 LYS 73 - H LYS 75 far 0 31 0 - 4.7-5.4 HB2 LYS 73 - H LYS 75 far 0 38 0 - 4.9-5.5 HB2 LYS 83 - H LYS 85 far 0 81 0 - 5.4-7.7 HB2 ARG 69 - H LYS 75 far 0 54 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 385 from nnoeabs.peaks (4.23, 8.27, 123.92 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.82: * HA LYS 85 + H LEU 86 OK 82 100 100 82 2.2-3.0 3.6=59, 3.0/387=31...(4) HA LYS 83 - H LEU 86 far 0 93 0 - 4.4-9.4 Violated in 3 structures by 0.00 A. Peak 386 from nnoeabs.peaks (1.80, 8.27, 123.92 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 85 + H LEU 86 OK 99 100 100 99 2.2-4.2 3.0/385=81, 1.8/387=78...(5) HB3 ARG 84 - H LEU 86 far 5 100 5 - 4.1-7.7 HB2 LYS 83 - H LEU 86 far 0 81 0 - 4.5-10.1 Violated in 0 structures by 0.00 A. Peak 387 from nnoeabs.peaks (1.72, 8.27, 123.92 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 85 + H LEU 86 OK 99 100 100 99 2.2-4.1 3.0/385=80, 1.8/386=75...(4) HB2 ARG 84 - H LEU 86 far 10 100 10 - 2.7-7.4 HB3 LYS 83 - H LEU 86 far 5 100 5 - 2.8-10.5 HB2 ARG 82 - H LEU 86 far 0 63 0 - 8.1-13.5 Violated in 3 structures by 0.00 A. Peak 395 from nnoeabs.peaks (4.30, 8.42, 121.83 ppm; 3.00 A): 2 out of 3 assignments used, quality = 0.98: HA GLU 87 + H GLU 87 OK 93 93 100 100 2.3-2.9 3.0=100 * HA LEU 86 + H GLU 87 OK 71 100 90 79 2.1-3.6 3.6=60, 3.0/397=29...(5) HA THR 88 - H GLU 87 far 0 78 0 - 4.7-5.8 Violated in 0 structures by 0.00 A. Peak 396 from nnoeabs.peaks (1.61, 8.42, 121.83 ppm; 4.65 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 86 + H GLU 87 OK 100 100 100 100 2.3-4.5 4.6=100 HG LEU 86 + H GLU 87 OK 64 90 80 89 2.0-5.1 3.0/397=71, 5894/4.6=39 HG3 ARG 84 - H GLU 87 far 4 81 5 - 4.3-12.2 HG2 ARG 84 - H GLU 87 far 0 81 0 - 5.9-11.4 Violated in 0 structures by 0.00 A. Peak 397 from nnoeabs.peaks (1.56, 8.42, 121.83 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.98: * HB3 LEU 86 + H GLU 87 OK 98 100 100 98 2.5-4.3 4.6=83, 861/4.6=52...(6) Violated in 1 structures by 0.00 A. Peak 402 from nnoeabs.peaks (4.32, 8.13, 115.78 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.86: * HA GLU 87 + H THR 88 OK 86 100 100 86 2.1-3.3 3.6=80, 3.0/4032=17...(4) HA LEU 86 - H THR 88 far 5 93 5 - 3.5-6.5 Violated in 1 structures by 0.00 A. Peak 408 from nnoeabs.peaks (4.28, 8.17, 124.35 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.84: * HA THR 88 + H ILE 89 OK 84 100 100 84 2.1-2.5 3.5=65, 3590/409=32...(6) HA LEU 86 - H ILE 89 far 0 78 0 - 7.1-9.6 Violated in 0 structures by 0.00 A. Peak 409 from nnoeabs.peaks (4.12, 8.17, 124.35 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.99: * HB THR 88 + H ILE 89 OK 99 100 100 99 2.7-4.2 4.4=85, 3590/408=81...(4) HA GLN 91 - H ILE 89 far 0 93 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 410 from nnoeabs.peaks (1.15, 8.17, 124.35 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.99: HG12 ILE 89 + H ILE 89 OK 91 100 95 96 2.0-4.2 1.8/5269=65, 2.9/877=59...(5) * QG2 THR 88 + H ILE 89 OK 89 100 90 99 2.1-4.1 3.9=91, 3.2/408=66...(5) Violated in 0 structures by 0.00 A. Peak 412 from nnoeabs.peaks (4.17, 8.27, 125.92 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.98: * HA ILE 89 + H VAL 90 OK 98 100 100 98 2.1-3.3 4038=98, 5432/3.9=4, 5430/4.0=2 HB THR 15 - H ALA 12 far 0 54 0 - 9.5-12.9 Violated in 2 structures by 0.00 A. Peak 414 from nnoeabs.peaks (0.84, 8.27, 125.92 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 89 + H VAL 90 OK 100 100 100 100 2.1-4.3 4.4=100 QD2 LEU 86 - H VAL 90 far 0 98 0 - 5.2-13.1 Violated in 0 structures by 0.00 A. Peak 419 from nnoeabs.peaks (4.08, 8.03, 129.89 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.83: * HA VAL 90 + H GLN 91 OK 83 100 100 83 2.1-3.0 4044=82, 3641/3.6=6 Violated in 0 structures by 0.00 A. Peak 420 from nnoeabs.peaks (2.02, 8.03, 129.89 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * HB VAL 90 + H GLN 91 OK 100 100 100 100 2.2-4.5 4.4=100 HB3 GLN 91 + H GLN 91 OK 78 78 100 100 2.4-3.8 3.6=100 HG2 PRO 44 - H GLN 91 far 0 60 0 - 9.2-48.0 HB2 GLU 87 - H GLN 91 far 0 95 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 421 from nnoeabs.peaks (0.90, 8.03, 129.89 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 90 + H GLN 91 OK 100 100 100 100 2.2-4.0 4.1=100 QG2 VAL 90 + H GLN 91 OK 100 100 100 100 2.1-4.2 4.1=100 QD1 LEU 86 - H GLN 91 far 0 96 0 - 7.6-13.8 Violated in 0 structures by 0.00 A. Peak 422 from nnoeabs.peaks (0.90, 8.03, 129.89 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 90 + H GLN 91 OK 100 100 100 100 2.1-4.2 4.1=100 QG1 VAL 90 + H GLN 91 OK 100 100 100 100 2.2-4.0 4.1=100 QD1 LEU 86 - H GLN 91 far 0 97 0 - 7.6-13.8 Violated in 0 structures by 0.00 A. Peak 424 from nnoeabs.peaks (4.68, 7.62, 113.85 ppm; 5.98 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 42 + HD21 ASN 42 OK 100 100 100 100 2.1-2.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 425 from nnoeabs.peaks (2.76, 7.62, 113.85 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.7-3.5 3.5=91, 3.0/1988=40...(6) HB3 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.8-3.5 3.5=91, 3.0/1988=40...(6) HB3 ASN 80 - HD21 ASN 42 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 426 from nnoeabs.peaks (2.76, 7.62, 113.85 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.7-3.5 3.5=91, 3.0/1988=40...(6) * HB3 ASN 42 + HD21 ASN 42 OK 97 100 100 97 2.8-3.5 3.5=91, 3.0/1988=40...(6) HB3 ASN 80 - HD21 ASN 42 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD22 ASN 42 + HD21 ASN 42 OK 100 100 100 100 1.7-1.7 1.7=100 QE PHE 35 - HD21 ASN 42 far 0 99 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 431 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.78 A increased from 3.55 A): 1 out of 3 assignments used, quality = 0.90: * HB2 ASN 42 + HD22 ASN 42 OK 90 100 90 100 3.7-4.1 3.5=100 HB3 ASN 42 - HD22 ASN 42 far 10 100 10 - 3.7-4.1 HB3 ASN 80 - HD22 ASN 42 far 0 100 0 - 9.9-17.1 Violated in 2 structures by 0.03 A. Peak 432 from nnoeabs.peaks (2.76, 6.94, 113.85 ppm; 3.78 A increased from 3.55 A): 1 out of 3 assignments used, quality = 0.90: HB2 ASN 42 + HD22 ASN 42 OK 90 100 90 100 3.7-4.1 3.5=100 ! HB3 ASN 42 - HD22 ASN 42 far 10 100 10 - 3.7-4.1 HB3 ASN 80 - HD22 ASN 42 far 0 100 0 - 9.9-17.1 Violated in 2 structures by 0.03 A. Peak 433 from nnoeabs.peaks (7.62, 6.94, 113.85 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 42 + HD22 ASN 42 OK 100 100 100 100 1.7-1.7 1.7=100 H VAL 41 - HD22 ASN 42 far 0 100 0 - 4.7-5.4 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HD21 ASN 49 OK 100 100 100 100 4.4-4.6 649=100, 650/1.7=95...(7) H VAL 45 - HD21 ASN 49 far 0 68 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 437 from nnoeabs.peaks (2.90, 6.86, 112.13 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HD21 ASN 49 OK 100 100 100 100 3.4-3.5 3.5=100 HB3 PHE 48 - HD21 ASN 49 far 0 90 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 438 from nnoeabs.peaks (2.68, 6.86, 112.13 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 49 + HD21 ASN 49 OK 100 100 100 100 3.8-3.9 3.5=100 HB2 ASP 46 - HD21 ASN 49 far 0 81 0 - 6.6-7.3 HB2 ASN 80 - HE22 GLN 79 far 0 69 0 - 6.7-9.5 HB2 ASP 47 - HD21 ASN 49 far 0 96 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HD22 ASN 49 + HD21 ASN 49 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 441 from nnoeabs.peaks (8.65, 7.83, 112.13 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HD22 ASN 49 OK 100 100 100 100 3.5-3.8 650=100, 178/3.5=83...(7) H VAL 45 - HD22 ASN 49 far 0 68 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 442 from nnoeabs.peaks (4.14, 7.83, 112.13 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 49 + HD22 ASN 49 OK 100 100 100 100 4.2-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 443 from nnoeabs.peaks (2.90, 7.83, 112.13 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.1-2.2 3.5=100 HB3 PHE 48 - HD22 ASN 49 far 0 90 0 - 6.7-7.3 Violated in 0 structures by 0.00 A. Peak 444 from nnoeabs.peaks (2.68, 7.83, 112.13 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 49 + HD22 ASN 49 OK 100 100 100 100 2.9-3.1 3.5=100 HB2 ASP 46 - HD22 ASN 49 far 0 81 0 - 5.3-5.8 HB2 ASP 47 - HD22 ASN 49 far 0 96 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 445 from nnoeabs.peaks (6.86, 7.83, 112.13 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 49 + HD22 ASN 49 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 ASN 74 + HD21 ASN 74 OK 100 100 100 100 2.1-3.4 3.5=100 HB3 ASN 74 + HD21 ASN 74 OK 57 57 100 100 2.1-3.6 3.5=100 HB3 ASP 67 - HD21 ASN 74 far 0 65 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 450 from nnoeabs.peaks (2.78, 7.61, 112.60 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 74 + HD21 ASN 74 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 ASN 74 + HD21 ASN 74 OK 57 57 100 100 2.1-3.4 3.5=100 Violated in 0 structures by 0.00 A. 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; 2.44 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 74 + HD21 ASN 74 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 80 - HD21 ASN 74 far 0 99 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. Peak 454 from nnoeabs.peaks (4.62, 6.90, 112.60 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: * HA ASN 74 + HD22 ASN 74 OK 100 100 100 100 3.6-5.2 4.4=100 HA ASN 80 + HD22 ASN 80 OK 90 95 95 100 3.9-5.3 4.3=100 HA ASN 74 - HD22 ASN 80 far 0 97 0 - 5.5-10.5 Violated in 0 structures by 0.00 A. Peak 455 from nnoeabs.peaks (2.81, 6.90, 112.60 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ASN 74 + HD22 ASN 74 OK 100 100 100 100 3.4-4.0 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 57 57 100 100 3.4-4.1 3.5=100 HB2 ASN 74 - HD22 ASN 80 far 0 97 0 - 7.7-13.3 HB3 ASN 74 - HD22 ASN 80 far 0 53 0 - 8.5-13.2 HB3 ASP 67 - HD22 ASN 74 far 0 65 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 456 from nnoeabs.peaks (2.78, 6.90, 112.60 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ASN 74 + HD22 ASN 74 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 ASN 80 + HD22 ASN 80 OK 66 66 100 100 3.5-4.1 3.5=100 HB2 ASN 74 + HD22 ASN 74 OK 57 57 100 100 3.4-4.0 3.5=100 HB3 ASN 42 - HD22 ASN 80 far 0 73 0 - 7.0-15.7 HB2 ASN 42 - HD22 ASN 80 far 0 68 0 - 7.6-16.3 HB2 ASN 74 - HD22 ASN 80 far 0 53 0 - 7.7-13.3 HB3 ASN 74 - HD22 ASN 80 far 0 97 0 - 8.5-13.2 HB3 ASN 80 - HD22 ASN 74 far 0 71 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 457 from nnoeabs.peaks (7.61, 6.90, 112.60 ppm; 2.43 A): 1 out of 4 assignments used, quality = 1.00: * HD21 ASN 74 + HD22 ASN 74 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 42 - HD22 ASN 80 far 0 88 0 - 6.0-14.2 H VAL 41 - HD22 ASN 80 far 0 87 0 - 8.1-16.6 HD21 ASN 74 - HD22 ASN 80 far 0 97 0 - 9.9-14.7 Violated in 0 structures by 0.00 A. 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): 2 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 4 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 88 - H VAL 90 far 5 36 15 - 3.6-6.5 HA THR 15 - H ALA 12 far 0 96 0 - 9.4-12.1 HA LYS 85 - H VAL 90 far 0 26 0 - 9.5-16.2 Violated in 0 structures by 0.00 A. Peak 465 from nnoeabs.peaks (1.33, 8.24, 125.71 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 12 + H ALA 12 OK 100 100 100 100 2.2-2.8 2.9=100 HG3 LYS 32 - H ALA 12 far 0 100 0 - 8.7-32.5 QG2 THR 58 - H ALA 12 far 0 83 0 - 8.7-29.0 QB ALA 16 - H ALA 12 far 0 65 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 43 - H LYS 13 far 0 99 0 - 8.7-39.9 Violated in 0 structures by 0.00 A. Peak 468 from nnoeabs.peaks (1.79, 8.27, 122.13 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 13 + H LYS 13 OK 100 100 100 100 3.1-4.0 3.9=100 HB3 LYS 32 - H LYS 13 far 0 90 0 - 6.8-27.4 HB2 LYS 32 - H LYS 13 far 0 90 0 - 7.3-27.7 HB2 PRO 34 - H LYS 13 far 0 97 0 - 8.9-29.1 HB ILE 33 - H LYS 13 far 0 81 0 - 9.9-25.5 Violated in 0 structures by 0.00 A. Peak 469 from nnoeabs.peaks (1.68, 8.27, 122.13 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.96: * HB3 LYS 13 + H LYS 13 OK 95 100 100 95 2.1-3.7 3.9=78, 3.0/470=42...(6) HD3 LYS 13 + H LYS 13 OK 21 90 25 91 2.1-5.8 2.9/470=43, 2.9/471=40...(17) HD2 LYS 13 - H LYS 13 poor 18 90 20 - 2.7-6.1 Violated in 1 structures by 0.00 A. Peak 470 from nnoeabs.peaks (1.42, 8.27, 122.13 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.98: * HG2 LYS 13 + H LYS 13 OK 98 100 100 98 2.2-4.3 4.9=69, 3.0/469=63...(12) QB ALA 30 - H LYS 13 far 0 78 0 - 7.6-24.5 Violated in 1 structures by 0.00 A. Peak 471 from nnoeabs.peaks (1.46, 8.27, 122.13 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.99: * HG3 LYS 13 + H LYS 13 OK 99 100 100 99 2.2-4.5 4.9=76, 3.0/469=65...(12) QB ALA 30 - H LYS 13 far 0 97 0 - 7.6-24.5 Violated in 1 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA THR 15 + H THR 15 OK 100 100 100 100 2.3-2.9 3.0=100 HA ALA 12 - H THR 15 far 0 96 0 - 6.6-9.3 Violated in 0 structures by 0.00 A. Peak 478 from nnoeabs.peaks (4.17, 8.20, 114.71 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 15 + H THR 15 OK 100 100 100 100 2.6-3.9 4.0=100 HA LEU 29 - H THR 15 far 0 99 0 - 4.7-25.2 Violated in 0 structures by 0.00 A. Peak 479 from nnoeabs.peaks (1.19, 8.20, 114.71 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 15 + H THR 15 OK 100 100 100 100 1.9-3.9 3.9=100 QG2 THR 37 - H THR 15 far 0 83 0 - 7.2-20.8 HG13 ILE 33 - H THR 15 far 0 63 0 - 9.9-23.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ALA 16 + H ALA 16 OK 100 100 100 100 2.8-2.9 2.9=100 HA PRO 34 - H ALA 16 far 5 99 5 - 3.4-21.0 Violated in 0 structures by 0.00 A. Peak 482 from nnoeabs.peaks (1.36, 8.36, 126.99 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 16 + H ALA 16 OK 100 100 100 100 2.1-2.7 2.9=100 QB ALA 28 - H ALA 16 far 0 81 0 - 6.9-15.3 QB ALA 20 - H ALA 16 far 0 87 0 - 7.0-13.8 QB ALA 12 - H ALA 16 far 0 65 0 - 7.8-10.6 Violated in 0 structures by 0.00 A. 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; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 17 + H ARG 17 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 19 - H ARG 17 far 0 81 0 - 6.1-9.4 HA ALA 20 - H ARG 17 far 0 89 0 - 6.3-11.9 HA ASP 38 - H ARG 17 far 0 100 0 - 8.2-24.0 HA LYS 39 - H ARG 17 far 0 63 0 - 9.2-25.5 Violated in 0 structures by 0.00 A. Peak 485 from nnoeabs.peaks (1.84, 8.38, 120.73 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 17 + H ARG 17 OK 100 100 100 100 2.2-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 486 from nnoeabs.peaks (1.74, 8.38, 120.73 ppm; 4.06 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 17 + H ARG 17 OK 100 100 100 100 2.4-3.8 4.0=100 HB2 LEU 29 - H ARG 17 far 3 65 5 - 3.7-20.4 HB ILE 33 - H ARG 17 far 0 71 0 - 7.9-18.3 HB3 LYS 32 - H ARG 17 far 0 57 0 - 7.9-23.2 HG3 ARG 26 - H ARG 17 far 0 100 0 - 8.0-18.3 HG2 PRO 34 - H ARG 17 far 0 90 0 - 8.2-23.2 HB2 LYS 32 - H ARG 17 far 0 57 0 - 9.3-23.7 Violated in 0 structures by 0.00 A. Peak 487 from nnoeabs.peaks (1.62, 8.38, 120.73 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.5-4.7 5.0=75, 1151/3.0=37...(12) * HG2 ARG 17 + H ARG 17 OK 88 100 90 98 2.0-5.1 5.0=75, 1150/3.0=42...(13) HG2 ARG 26 - H ARG 17 far 0 100 0 - 6.9-20.0 HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.7-25.6 HD2 LYS 32 - H ARG 17 far 0 99 0 - 8.0-26.0 HG LEU 86 - H ARG 17 far 0 83 0 - 9.6-61.0 Violated in 0 structures by 0.00 A. Peak 488 from nnoeabs.peaks (1.62, 8.38, 120.73 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 17 + H ARG 17 OK 98 100 100 98 2.5-4.7 5.0=75, 1151/3.0=37...(12) HG2 ARG 17 + H ARG 17 OK 88 100 90 98 2.0-5.1 5.0=75, 1151/3.0=42...(13) HG2 ARG 26 - H ARG 17 far 0 100 0 - 6.9-20.0 HD3 LYS 32 - H ARG 17 far 0 99 0 - 7.7-25.6 HD2 LYS 32 - H ARG 17 far 0 98 0 - 8.0-26.0 HG LEU 86 - H ARG 17 far 0 81 0 - 9.6-61.0 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HA GLU 19 + H GLU 19 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 17 - H GLU 19 far 4 81 5 - 4.0-6.9 HA ALA 20 - H GLU 19 far 0 100 0 - 4.6-5.5 HA ASP 38 - H GLU 19 far 0 78 0 - 5.7-18.0 HA LYS 39 - H GLU 19 far 0 99 0 - 8.2-20.4 HA THR 15 - H GLU 19 far 0 97 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 493 from nnoeabs.peaks (1.91, 8.32, 120.92 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.98: * HB2 GLU 19 + H GLU 19 OK 98 100 100 98 2.2-3.8 3.9=96, 3.0/496=25...(5) HB3 ARG 26 - H GLU 19 far 0 60 0 - 5.8-15.5 HG12 ILE 40 - H GLU 19 far 0 100 0 - 8.6-19.9 HB VAL 41 - H GLU 19 far 0 83 0 - 8.8-21.4 Violated in 0 structures by 0.00 A. Peak 494 from nnoeabs.peaks (2.04, 8.32, 120.92 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 19 + H GLU 19 OK 100 100 100 100 2.6-4.0 3.9=100 HB3 GLU 25 - H GLU 19 far 0 90 0 - 4.8-10.7 HB2 GLU 25 - H GLU 19 far 0 92 0 - 5.9-11.2 Violated in 0 structures by 0.00 A. Peak 495 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.53 A increased from 4.27 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.4-4.8 4.9=79, 3.0/493=75...(8) * HG2 GLU 19 + H GLU 19 OK 88 100 90 98 2.2-5.1 4.9=79, 3.0/493=75...(8) HG2 GLU 25 - H GLU 19 far 0 63 0 - 5.2-11.0 Violated in 0 structures by 0.00 A. Peak 496 from nnoeabs.peaks (2.23, 8.32, 120.92 ppm; 4.53 A increased from 4.27 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 19 + H GLU 19 OK 98 100 100 98 2.4-4.8 4.9=79, 3.0/493=75...(8) HG2 GLU 19 + H GLU 19 OK 88 100 90 98 2.2-5.1 4.9=79, 3.0/493=75...(8) HG2 GLU 25 - H GLU 19 far 0 63 0 - 5.2-11.0 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HA ALA 20 + H ALA 20 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 19 + H ALA 20 OK 91 100 100 91 2.1-3.6 3.6=80, 3.0/29=33...(6) HA ARG 17 - H ALA 20 far 0 89 0 - 5.4-10.3 HA ASP 38 - H ALA 20 far 0 87 0 - 8.9-17.4 HA THR 15 - H ALA 20 far 0 92 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 499 from nnoeabs.peaks (1.38, 8.45, 124.95 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 20 + H ALA 20 OK 100 100 100 100 2.0-2.8 2.9=100 QB ALA 16 - H ALA 20 far 0 87 0 - 6.2-10.3 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.4-2.9 2.9=100 HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA3 GLY 18 - H GLY 21 far 0 76 0 - 6.9-9.6 HA2 GLY 18 - H GLY 21 far 0 73 0 - 7.0-10.2 HA THR 37 - H GLY 21 far 0 90 0 - 7.5-15.1 Violated in 0 structures by 0.00 A. Peak 502 from nnoeabs.peaks (3.95, 8.39, 107.77 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * HA3 GLY 21 + H GLY 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA2 GLY 21 + H GLY 21 OK 100 100 100 100 2.4-2.9 2.9=100 HA3 GLY 18 - H GLY 21 far 0 78 0 - 6.9-9.6 HA2 GLY 18 - H GLY 21 far 0 76 0 - 7.0-10.2 HA THR 37 - H GLY 21 far 0 92 0 - 7.5-15.1 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA SER 22 + H SER 22 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 505 from nnoeabs.peaks (4.01, 8.21, 115.99 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 22 + H SER 22 OK 100 100 100 100 2.5-4.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 506 from nnoeabs.peaks (3.89, 8.21, 115.99 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 22 + H SER 22 OK 100 100 100 100 2.3-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA ARG 23 + H ARG 23 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 27 - H ARG 23 far 0 97 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 509 from nnoeabs.peaks (1.85, 8.49, 122.99 ppm; 4.39 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 23 + H ARG 23 OK 100 100 100 100 2.2-3.6 4.0=100 HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.6-3.6 4.0=100 HB2 ARG 27 - H ARG 23 far 0 99 0 - 6.7-9.0 HB3 ARG 27 - H ARG 23 far 0 99 0 - 8.2-10.3 HB3 ARG 71 - H ARG 23 far 0 99 0 - 8.4-12.3 HB2 ARG 71 - H ARG 23 far 0 99 0 - 9.3-11.8 HB2 LYS 75 - H ARG 23 far 0 100 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 510 from nnoeabs.peaks (1.85, 8.49, 122.99 ppm; 4.39 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 23 + H ARG 23 OK 100 100 100 100 2.2-3.6 4.0=100 * HB3 ARG 23 + H ARG 23 OK 100 100 100 100 2.6-3.6 4.0=100 HB2 ARG 27 - H ARG 23 far 0 100 0 - 6.7-9.0 HB3 ARG 27 - H ARG 23 far 0 99 0 - 8.2-10.3 HB3 ARG 71 - H ARG 23 far 0 99 0 - 8.4-12.3 HB2 ARG 71 - H ARG 23 far 0 100 0 - 9.3-11.8 HB2 LYS 75 - H ARG 23 far 0 100 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 511 from nnoeabs.peaks (1.67, 8.49, 122.99 ppm; 5.47 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 23 + H ARG 23 OK 100 100 100 100 2.0-4.6 4.9=100 HD2 LYS 75 - H ARG 23 far 0 99 0 - 6.3-15.8 HD3 LYS 75 - H ARG 23 far 0 99 0 - 7.0-14.2 HG LEU 29 - H ARG 23 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA ASP 24 + H ASP 24 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 517 from nnoeabs.peaks (2.56, 8.34, 120.23 ppm; 3.72 A increased from 3.50 A): 1 out of 1 assignment used, quality = 0.88: * HB2 ASP 24 + H ASP 24 OK 88 100 100 88 3.5-3.6 4.0=81, 52/903=38, 5505/4.2=3 Violated in 0 structures by 0.00 A. Peak 518 from nnoeabs.peaks (2.59, 8.34, 120.23 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.81: * HB3 ASP 24 + H ASP 24 OK 81 100 100 81 2.3-2.5 4.0=65, 53/903=33...(5) Violated in 0 structures by 0.00 A. Peak 520 from nnoeabs.peaks (4.09, 8.20, 121.35 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 25 + H GLU 25 OK 100 100 100 100 2.8-2.8 2.9=100 HA ARG 26 - H GLU 25 far 0 83 0 - 5.3-5.5 HA ARG 27 - H GLU 25 far 0 65 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 521 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.95: * HB2 GLU 25 + H GLU 25 OK 95 100 100 95 2.1-2.3 4.0=50, 3.0/523=37...(14) HB3 GLU 25 - H GLU 25 far 0 100 0 - 3.5-3.5 HB3 GLU 19 - H GLU 25 far 0 92 0 - 5.9-13.5 Violated in 0 structures by 0.00 A. Peak 522 from nnoeabs.peaks (2.05, 8.20, 121.35 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.95: HB2 GLU 25 + H GLU 25 OK 95 100 100 95 2.1-2.3 4.0=50, 3.0/523=37...(14) ! HB3 GLU 25 - H GLU 25 far 0 100 0 - 3.5-3.5 HB3 GLU 19 - H GLU 25 far 0 90 0 - 5.9-13.5 Violated in 0 structures by 0.00 A. Peak 523 from nnoeabs.peaks (2.26, 8.20, 121.35 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 25 + H GLU 25 OK 100 100 100 100 2.7-4.0 3.0/522=73, 1.8/524=71...(12) HG3 GLU 19 - H GLU 25 far 0 63 0 - 6.2-15.7 HG2 GLU 19 - H GLU 25 far 0 63 0 - 7.7-15.1 Violated in 1 structures by 0.00 A. Peak 524 from nnoeabs.peaks (2.30, 8.20, 121.35 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 25 + H GLU 25 OK 100 100 100 100 2.7-4.1 1.8/523=80, 3.0/521=77...(10) Violated in 1 structures by 0.00 A. Peak 525 from nnoeabs.peaks (8.13, 8.13, 119.29 ppm; diagonal): 2 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 3 assignments used, quality = 1.00: * HA ARG 26 + H ARG 26 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 25 + H ARG 26 OK 80 83 100 97 3.5-3.6 3.6=80, 2.9/904=43...(8) HA ARG 71 - H ASN 74 poor 13 56 40 56 3.4-4.1 16010/4.0=23...(5) Violated in 0 structures by 0.00 A. Peak 527 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 1 out of 9 assignments used, quality = 0.85: * HB2 ARG 26 + H ARG 26 OK 85 100 90 94 2.4-3.6 3.9=48, 3.0/529=36...(18) HB3 ARG 26 - H ARG 26 far 10 100 10 - 2.5-3.6 HB2 ARG 27 - H ARG 26 far 0 65 0 - 4.5-5.2 HB3 ARG 71 - H ASN 74 far 0 33 0 - 5.3-6.1 HB2 ARG 71 - H ASN 74 far 0 31 0 - 5.5-6.2 HB3 ARG 27 - H ARG 26 far 0 68 0 - 5.7-6.3 HB ILE 68 - H ASN 74 far 0 46 0 - 9.2-9.8 HB3 PRO 14 - H ARG 26 far 0 99 0 - 9.5-26.2 HB3 ARG 71 - H ARG 26 far 0 68 0 - 9.8-13.8 Violated in 2 structures by 0.05 A. Peak 528 from nnoeabs.peaks (1.88, 8.13, 119.29 ppm; 3.07 A): 1 out of 10 assignments used, quality = 0.85: HB2 ARG 26 + H ARG 26 OK 85 100 90 94 2.4-3.6 3.9=48, 3.0/529=36...(18) ! HB3 ARG 26 - H ARG 26 far 10 100 10 - 2.5-3.6 HB2 ARG 27 - H ARG 26 far 0 63 0 - 4.5-5.2 HB3 ARG 71 - H ASN 74 far 0 31 0 - 5.3-6.1 HB2 ARG 71 - H ASN 74 far 0 30 0 - 5.5-6.2 HB3 ARG 27 - H ARG 26 far 0 65 0 - 5.7-6.3 HB2 GLU 19 - H ARG 26 far 0 60 0 - 7.5-14.3 HB ILE 68 - H ASN 74 far 0 47 0 - 9.2-9.8 HB3 PRO 14 - H ARG 26 far 0 99 0 - 9.5-26.2 HB3 ARG 71 - H ARG 26 far 0 65 0 - 9.8-13.8 Violated in 2 structures by 0.05 A. Peak 529 from nnoeabs.peaks (1.62, 8.13, 119.29 ppm; 3.87 A): 1 out of 10 assignments used, quality = 0.99: * HG2 ARG 26 + H ARG 26 OK 99 100 100 99 2.1-3.8 3.0/527=73, 1.8/530=67...(18) HG2 ARG 27 - H ARG 26 far 15 97 15 - 3.9-7.1 HG3 ARG 27 - H ARG 26 far 10 97 10 - 3.9-7.1 HD3 LYS 73 - H ASN 74 far 3 53 5 - 3.7-6.6 HG3 ARG 70 - H ASN 74 far 0 55 0 - 4.7-7.5 HD2 LYS 73 - H ASN 74 far 0 53 0 - 4.8-6.5 HG2 ARG 71 - H ASN 74 far 0 58 0 - 5.5-7.6 HG2 ARG 71 - H ARG 26 far 0 100 0 - 9.6-13.9 HG3 ARG 17 - H ARG 26 far 0 100 0 - 9.6-17.4 HG2 ARG 17 - H ARG 26 far 0 100 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 530 from nnoeabs.peaks (1.75, 8.13, 119.29 ppm; 3.52 A): 2 out of 5 assignments used, quality = 0.99: * HG3 ARG 26 + H ARG 26 OK 99 100 100 99 2.0-2.8 1.8/529=63, 3.0/527=62...(16) HB3 LYS 73 + H ASN 74 OK 24 28 100 85 2.4-3.4 4.3=55, 4.0/944=27...(7) HG3 ARG 71 - H ASN 74 far 0 58 0 - 5.5-7.5 HB ILE 33 - H ARG 26 far 0 83 0 - 9.3-10.3 HB3 ARG 17 - H ARG 26 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 532 from nnoeabs.peaks (3.17, 8.13, 119.29 ppm; 4.77 A): 2 out of 11 assignments used, quality = 1.00: HD2 ARG 26 + H ARG 26 OK 100 100 100 100 3.5-5.0 3.5/527=86, 3.0/529=81...(17) * HD3 ARG 26 + H ARG 26 OK 100 100 100 100 4.0-4.9 3.5/528=86, 3.0/529=81...(16) HD3 ARG 27 - H ARG 26 poor 11 99 25 45 4.6-8.0 6.3/5380=41, 3.0/1382=6 HD2 ARG 27 - H ARG 26 far 10 99 10 - 4.5-7.9 HD3 ARG 70 - H ASN 74 far 4 28 15 - 3.8-8.1 HD2 ARG 23 - H ARG 26 far 0 97 0 - 5.2-8.9 HD3 ARG 71 - H ASN 74 far 0 34 0 - 5.5-8.1 HD3 ARG 23 - H ARG 26 far 0 97 0 - 5.7-8.7 HD2 ARG 17 - H ARG 26 far 0 92 0 - 7.4-17.4 HD3 ARG 17 - H ARG 26 far 0 92 0 - 7.5-18.6 HD3 ARG 71 - H ARG 26 far 0 71 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA ARG 27 + H ARG 27 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 25 - H ARG 27 far 0 65 0 - 3.9-4.2 HA ARG 23 - H ARG 27 far 0 97 0 - 4.4-6.1 HA ALA 30 - H ARG 27 far 0 83 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 535 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 2 out of 9 assignments used, quality = 0.95: * HB2 ARG 27 + H ARG 27 OK 92 100 100 92 2.1-2.7 4.1=41, 1.8/1422=23...(18) HB2 ARG 26 + H ARG 27 OK 42 65 90 71 2.7-4.0 3.9/5380=34, 4.6=28...(6) HB3 ARG 27 - H ARG 27 poor 20 100 20 - 3.1-3.6 HB3 ARG 26 - H ARG 27 far 0 63 0 - 3.8-4.1 HB3 ARG 23 - H ARG 27 far 0 100 0 - 5.4-7.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 5.9-7.7 HB2 ARG 17 - H ARG 27 far 0 95 0 - 8.8-17.7 HB2 ARG 71 - H ARG 27 far 0 100 0 - 8.8-11.7 HB3 ARG 71 - H ARG 27 far 0 100 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (1.85, 8.18, 120.59 ppm; 3.03 A): 2 out of 9 assignments used, quality = 0.95: HB2 ARG 27 + H ARG 27 OK 92 100 100 92 2.1-2.7 4.1=41, 1.8/1422=23...(18) HB2 ARG 26 + H ARG 27 OK 43 68 90 71 2.7-4.0 3.9/5380=34, 4.6=28...(6) ! HB3 ARG 27 - H ARG 27 poor 18 100 20 90 3.1-3.6 4.1=41, 1.8/1422=22...(19) HB3 ARG 26 - H ARG 27 far 0 65 0 - 3.8-4.1 HB3 ARG 23 - H ARG 27 far 0 99 0 - 5.4-7.1 HB2 ARG 23 - H ARG 27 far 0 99 0 - 5.9-7.7 HB2 ARG 17 - H ARG 27 far 0 93 0 - 8.8-17.7 HB2 ARG 71 - H ARG 27 far 0 100 0 - 8.8-11.7 HB3 ARG 71 - H ARG 27 far 0 100 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 537 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 4.11 A increased from 3.87 A): 2 out of 4 assignments used, quality = 0.99: HG3 ARG 27 + H ARG 27 OK 95 100 95 100 2.0-4.4 5.0=57, 2.9/535=56...(26) * HG2 ARG 27 + H ARG 27 OK 75 100 75 100 1.9-4.5 5.0=57, 2.9/535=56...(27) HG2 ARG 26 - H ARG 27 far 10 97 10 - 2.3-5.3 HG2 ARG 71 - H ARG 27 far 0 96 0 - 8.1-12.4 Violated in 0 structures by 0.00 A. Peak 538 from nnoeabs.peaks (1.63, 8.18, 120.59 ppm; 4.11 A increased from 3.87 A): 2 out of 4 assignments used, quality = 0.99: * HG3 ARG 27 + H ARG 27 OK 95 100 95 100 2.0-4.4 5.0=57, 2.9/535=56...(26) HG2 ARG 27 + H ARG 27 OK 75 100 75 100 1.9-4.5 5.0=57, 2.9/535=56...(27) HG2 ARG 26 - H ARG 27 far 10 97 10 - 2.3-5.3 HG2 ARG 71 - H ARG 27 far 0 95 0 - 8.1-12.4 Violated in 0 structures by 0.00 A. 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; 3.53 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 28 + H ALA 28 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 37 - H ALA 28 far 0 78 0 - 6.4-7.6 HA LYS 32 - H ALA 28 far 0 85 0 - 7.4-7.6 HA3 GLY 21 - H ALA 28 far 0 99 0 - 8.2-11.2 HA2 GLY 21 - H ALA 28 far 0 99 0 - 8.3-11.5 HA2 GLY 18 - H ALA 28 far 0 57 0 - 8.4-17.0 HA3 GLY 18 - H ALA 28 far 0 60 0 - 8.5-16.4 HA GLN 61 - H ALA 28 far 0 99 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 543 from nnoeabs.peaks (1.34, 8.21, 122.47 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 28 + H ALA 28 OK 100 100 100 100 2.1-2.3 2.9=100 QB ALA 16 - H ALA 28 far 0 81 0 - 7.2-16.2 QB ALA 16 - H ARG 84 far 0 63 0 - 9.3-45.2 HG3 LYS 32 - H ALA 28 far 0 97 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 30 - H LEU 29 far 0 71 0 - 5.3-5.4 HB THR 15 - H LEU 29 far 0 99 0 - 7.2-23.6 Violated in 0 structures by 0.00 A. Peak 546 from nnoeabs.peaks (1.72, 7.95, 119.22 ppm; 3.61 A increased from 2.89 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 29 + H LEU 29 OK 100 100 100 100 3.5-3.6 1483=100, 1.8/547=81...(11) HB3 ARG 17 - H LEU 29 far 0 65 0 - 5.7-15.4 HB3 LEU 64 - H LEU 29 far 0 85 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 547 from nnoeabs.peaks (1.58, 7.95, 119.22 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LEU 29 + H LEU 29 OK 99 100 100 99 2.8-2.8 1.8/1483=62, 1500/548=57...(11) Violated in 0 structures by 0.00 A. Peak 548 from nnoeabs.peaks (1.67, 7.95, 119.22 ppm; 2.99 A): 1 out of 5 assignments used, quality = 0.98: * HG LEU 29 + H LEU 29 OK 98 100 100 98 2.0-2.1 1497=52, 1500/547=43...(10) HD2 LYS 13 - H LEU 29 far 0 98 0 - 8.2-25.8 HD3 LYS 13 - H LEU 29 far 0 98 0 - 8.3-26.2 HB3 LEU 64 - H LEU 29 far 0 76 0 - 9.2-9.9 HB3 GLN 61 - H LEU 29 far 0 92 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 549 from nnoeabs.peaks (0.88, 7.95, 119.22 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + H LEU 29 OK 100 100 100 100 3.6-3.7 2.1/548=89, 3.1/547=67...(11) Violated in 0 structures by 0.00 A. Peak 550 from nnoeabs.peaks (0.84, 7.95, 119.22 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 2.0-2.4 2.1/548=90, 1511=68...(13) QD2 LEU 64 - H LEU 29 far 0 100 0 - 5.3-5.8 Violated in 0 structures by 0.00 A. 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): 1 out of 4 assignments used, quality = 1.00: * HA ALA 30 + H ALA 30 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 29 - H ALA 30 far 0 71 0 - 3.5-3.5 HA ARG 27 - H ALA 30 far 0 83 0 - 3.8-4.0 HA ARG 23 - H ALA 30 far 0 98 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 553 from nnoeabs.peaks (1.45, 7.98, 123.05 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.99: * QB ALA 30 + H ALA 30 OK 99 100 100 99 2.2-2.3 2.9=99 HG12 ILE 33 - H ALA 30 far 0 100 0 - 4.9-5.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA MET 31 + H MET 31 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 556 from nnoeabs.peaks (1.94, 7.71, 115.23 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.99: * HB2 MET 31 + H MET 31 OK 99 100 100 99 2.3-2.6 1530=69, 1.8/557=58...(14) HG13 ILE 68 - H MET 31 far 0 96 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 557 from nnoeabs.peaks (2.07, 7.71, 115.23 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 31 + H MET 31 OK 100 100 100 100 3.6-3.7 1.8/556=86, 4.0=86...(13) HB3 GLU 25 - H MET 31 far 0 90 0 - 8.9-9.1 HB2 GLU 25 - H MET 31 far 0 89 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 558 from nnoeabs.peaks (2.63, 7.71, 115.23 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + H MET 31 OK 100 100 100 100 3.2-3.9 1542=100, 1.8/559=79...(16) HG2 GLN 61 - H MET 31 far 0 73 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 559 from nnoeabs.peaks (2.52, 7.71, 115.23 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 31 + H MET 31 OK 100 100 100 100 2.3-3.2 1548=91, 1.8/1542=74...(15) HB2 GLN 61 - H MET 31 far 0 100 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. 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; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 32 + H LYS 32 OK 100 100 100 100 2.3-2.3 3.0=100 HA ALA 28 - H LYS 32 far 0 85 0 - 4.4-4.7 HA GLN 61 - H LYS 32 far 0 96 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 562 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.77 A increased from 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 32 + H LYS 32 OK 99 100 100 99 3.6-3.7 4.0=85, 2.9/564=55...(15) HB3 LYS 32 + H LYS 32 OK 99 100 100 99 4.0-4.0 4.0=85, 2.9/564=55...(14) HB ILE 33 - H LYS 32 far 0 100 0 - 5.2-5.5 HB3 ARG 17 - H LYS 32 far 0 57 0 - 6.4-19.4 HB2 LYS 13 - H LYS 32 far 0 90 0 - 8.5-24.7 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.8-9.9 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.9-9.3 HG3 ARG 26 - H LYS 32 far 0 71 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 563 from nnoeabs.peaks (1.77, 7.94, 118.73 ppm; 3.77 A increased from 3.54 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 32 + H LYS 32 OK 99 100 100 99 3.6-3.7 4.0=85, 2.9/564=55...(15) * HB3 LYS 32 + H LYS 32 OK 99 100 100 99 4.0-4.0 4.0=85, 2.9/564=55...(14) HB ILE 33 - H LYS 32 far 0 100 0 - 5.2-5.5 HB3 ARG 17 - H LYS 32 far 0 57 0 - 6.4-19.4 HB2 LYS 13 - H LYS 32 far 0 90 0 - 8.5-24.7 HB2 PRO 34 - H LYS 32 far 0 99 0 - 8.8-9.9 HG2 PRO 34 - H LYS 32 far 0 93 0 - 8.9-9.3 HG3 ARG 26 - H LYS 32 far 0 71 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 564 from nnoeabs.peaks (1.28, 7.94, 118.73 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 32 + H LYS 32 OK 100 100 100 100 2.6-2.8 1584=83, 1.8/565=70...(16) QG2 THR 58 - H LYS 32 far 0 60 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 565 from nnoeabs.peaks (1.33, 7.94, 118.73 ppm; 4.14 A increased from 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 32 + H LYS 32 OK 100 100 100 100 3.5-3.9 1594=94, 1.8/564=81...(14) QB ALA 28 - H LYS 32 far 0 97 0 - 4.7-4.9 QB ALA 12 - H LYS 32 far 0 100 0 - 8.3-24.4 QG2 THR 58 - H LYS 32 far 0 90 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ILE 33 + H ILE 33 OK 100 100 100 100 2.9-2.9 3.0=100 HD2 PRO 36 - H ILE 33 far 0 89 0 - 8.8-8.9 Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (1.77, 7.91, 120.59 ppm; 3.10 A): 1 out of 8 assignments used, quality = 0.98: * HB ILE 33 + H ILE 33 OK 98 100 100 98 2.7-2.7 1651=70, 3.0/574=43...(11) HB2 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.4 HB3 LYS 32 - H ILE 33 far 0 100 0 - 4.3-4.5 HB3 ARG 17 - H ILE 33 far 0 71 0 - 5.4-17.4 HB2 PRO 34 - H ILE 33 far 0 97 0 - 6.7-7.5 HG2 PRO 34 - H ILE 33 far 0 98 0 - 6.7-6.9 HB2 LYS 13 - H ILE 33 far 0 81 0 - 7.2-24.0 HB2 LEU 57 - H ILE 33 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 573 from nnoeabs.peaks (0.31, 7.91, 120.59 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + H ILE 33 OK 100 100 100 100 3.8-3.8 4.1=92, 2.1/572=89...(10) Violated in 0 structures by 0.00 A. Peak 574 from nnoeabs.peaks (1.44, 7.91, 120.59 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 33 + H ILE 33 OK 100 100 100 100 1.9-2.0 1665=76, 1.8/575=66...(13) QB ALA 30 - H ILE 33 far 0 100 0 - 5.8-6.2 HG2 LYS 13 - H ILE 33 far 0 81 0 - 6.9-24.5 HG3 LYS 13 - H ILE 33 far 0 96 0 - 7.2-23.4 HB3 LEU 57 - H ILE 33 far 0 73 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 575 from nnoeabs.peaks (1.22, 7.91, 120.59 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 33 + H ILE 33 OK 100 100 100 100 3.5-3.6 1672=86, 1.8/574=80...(8) QG2 THR 15 - H ILE 33 far 0 63 0 - 5.8-19.0 QG2 VAL 65 - H ILE 33 far 0 99 0 - 6.2-6.6 QG1 VAL 65 - H ILE 33 far 0 95 0 - 7.7-8.2 HG13 ILE 40 - H ILE 33 far 0 96 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 576 from nnoeabs.peaks (0.71, 7.91, 120.59 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + H ILE 33 OK 100 100 100 100 2.7-2.9 1679=100, 2.1/574=83...(12) QD2 LEU 57 - H ILE 33 far 0 100 0 - 5.3-5.7 Violated in 0 structures by 0.00 A. 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; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + H PHE 35 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 579 from nnoeabs.peaks (2.85, 6.31, 116.43 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 35 + H PHE 35 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 580 from nnoeabs.peaks (2.91, 6.31, 116.43 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 35 + H PHE 35 OK 100 100 100 100 3.4-3.4 4.0=100 HB3 TYR 55 - H PHE 35 far 0 63 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (6.94, 6.31, 116.43 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: * QE PHE 35 + H PHE 35 OK 100 100 100 100 4.1-4.2 2.2/582=92, 4583/4248=76...(11) HZ PHE 35 + H PHE 35 OK 97 100 100 97 5.1-5.2 3.8/582=71, 4596/4248=65...(9) Violated in 0 structures by 0.00 A. Peak 582 from nnoeabs.peaks (6.65, 6.31, 116.43 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 35 + H PHE 35 OK 100 100 100 100 3.0-3.1 4600=83, 4567/4248=44...(16) Violated in 0 structures by 0.00 A. 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): 1 out of 7 assignments used, quality = 1.00: * HA THR 37 + H THR 37 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 28 - H THR 37 far 0 78 0 - 5.8-6.9 HA3 GLY 18 - H THR 37 far 0 99 0 - 6.3-17.3 HA3 GLY 21 - H THR 37 far 0 92 0 - 6.9-12.5 HA2 GLY 18 - H THR 37 far 0 99 0 - 7.4-18.3 HA2 GLY 21 - H THR 37 far 0 90 0 - 7.7-13.2 HA2 GLY 72 - H THR 37 far 0 65 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 585 from nnoeabs.peaks (4.22, 8.81, 115.67 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 37 + H THR 37 OK 100 100 100 100 2.7-3.6 3.8=100 HA LYS 39 - H THR 37 far 0 65 0 - 6.9-7.1 HA THR 15 - H THR 37 far 0 76 0 - 7.8-22.9 Violated in 0 structures by 0.00 A. Peak 586 from nnoeabs.peaks (1.17, 8.81, 115.67 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.93: * QG2 THR 37 + H THR 37 OK 93 100 100 93 1.9-2.3 1816=84, 4.1/119=42, 4269/3.6=23 QG2 THR 15 - H THR 37 far 0 83 0 - 4.9-19.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HA ASP 38 + H ASP 38 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 20 - H ASP 38 far 0 87 0 - 4.0-15.2 HA LYS 39 - H ASP 38 far 0 60 0 - 5.2-5.4 HA ARG 17 - H ASP 38 far 0 100 0 - 7.4-18.7 HA GLU 19 - H ASP 38 far 0 78 0 - 7.6-15.9 Violated in 0 structures by 0.00 A. Peak 589 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.63 A increased from 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 38 + H ASP 38 OK 97 100 100 97 2.2-3.6 4.0=77, 1.8/1828=36...(9) HB3 ASP 38 + H ASP 38 OK 97 100 100 97 2.3-3.6 4.0=77, 1.8/1824=36...(9) Violated in 0 structures by 0.00 A. Peak 590 from nnoeabs.peaks (2.62, 8.70, 119.49 ppm; 3.63 A increased from 3.06 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 38 + H ASP 38 OK 97 100 100 97 2.2-3.6 4.0=77, 1.8/1828=36...(9) * HB3 ASP 38 + H ASP 38 OK 97 100 100 97 2.3-3.6 4.0=77, 1.8/1824=36...(9) Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 HA ASP 38 + H LYS 39 OK 60 60 100 100 3.5-3.6 3.6=99, 3.0/913=55...(6) HB THR 37 - H LYS 39 far 0 65 0 - 5.4-5.8 HA ALA 20 - H LYS 39 far 0 97 0 - 5.6-17.9 HA ARG 17 - H LYS 39 far 0 63 0 - 7.5-20.3 HA GLU 19 - H LYS 39 far 0 99 0 - 8.3-18.2 Violated in 0 structures by 0.00 A. Peak 593 from nnoeabs.peaks (1.85, 7.39, 117.25 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LYS 39 + H LYS 39 OK 99 100 100 99 2.4-3.2 4.0=66, 1.8/594=64...(13) Violated in 0 structures by 0.00 A. Peak 594 from nnoeabs.peaks (1.78, 7.39, 117.25 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 100 100 2.1-2.7 4.0=85, 1.8/593=82...(16) HB ILE 33 - H LYS 39 far 0 93 0 - 7.9-8.6 HB2 LYS 13 - H LYS 39 far 0 99 0 - 8.9-30.6 HB2 ARG 69 - H LYS 39 far 0 83 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 595 from nnoeabs.peaks (1.55, 7.39, 117.25 ppm; 4.65 A increased from 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 4.4-4.5 1862=100, 2.9/593=85...(15) Violated in 0 structures by 0.00 A. Peak 596 from nnoeabs.peaks (1.40, 7.39, 117.25 ppm; 4.74 A increased from 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 4.4-4.5 1872=100, 1837/3.0=88...(15) QB ALA 20 - H LYS 39 far 3 65 5 - 5.0-15.8 HG3 ARG 69 - H LYS 39 far 0 63 0 - 8.5-10.1 HB3 ARG 69 - H LYS 39 far 0 97 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 597 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 4.66 A increased from 3.92 A): 1 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + H LYS 39 OK 100 100 100 100 3.3-4.7 3.5/593=76, 3.5/594=71...(23) ! HD2 LYS 39 - H LYS 39 far 5 100 5 - 4.2-5.8 HB3 LEU 51 - H LYS 39 far 0 90 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 598 from nnoeabs.peaks (1.58, 7.39, 117.25 ppm; 4.66 A increased from 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 3.3-4.7 3.5/593=76, 3.5/594=71...(23) HD2 LYS 39 - H LYS 39 far 5 100 5 - 4.2-5.8 HB3 LEU 51 - H LYS 39 far 0 89 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. 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; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 40 + H ILE 40 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 69 - H ILE 40 far 0 100 0 - 5.9-6.6 HA VAL 65 - H ILE 40 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 603 from nnoeabs.peaks (2.12, 7.24, 115.36 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + H ILE 40 OK 100 100 100 100 2.5-2.6 1929=64, 2.9/605=55...(15) HB2 PRO 36 - H ILE 40 far 0 100 0 - 4.9-5.4 HG3 PRO 36 - H ILE 40 far 0 63 0 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 604 from nnoeabs.peaks (0.93, 7.24, 115.36 ppm; 3.82 A increased from 3.60 A): 2 out of 7 assignments used, quality = 1.00: * QG2 ILE 40 + H ILE 40 OK 100 100 100 100 3.8-3.8 1936=89, 2.1/603=81...(14) QG2 VAL 41 + H ILE 40 OK 39 100 40 98 3.8-4.4 140/915=64, 4330=51...(9) QD2 LEU 43 - H ILE 40 far 0 92 0 - 6.3-6.5 HG12 ILE 68 - H ILE 40 far 0 98 0 - 6.9-8.4 QG1 VAL 76 - H ILE 40 far 0 98 0 - 7.9-11.7 QG2 VAL 76 - H ILE 40 far 0 98 0 - 8.1-12.9 QD1 LEU 64 - H ILE 40 far 0 71 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.90, 7.24, 115.36 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 40 + H ILE 40 OK 100 100 100 100 1.9-2.3 1.8/606=57, 1943=51...(14) HB VAL 41 - H ILE 40 far 0 71 0 - 4.8-5.3 HB ILE 68 - H ILE 40 far 0 99 0 - 5.6-6.4 HG13 ILE 68 - H ILE 40 far 0 85 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (1.23, 7.24, 115.36 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + H ILE 40 OK 100 100 100 100 3.3-3.7 1.8/605=84, 2.1/607=65...(15) QG1 VAL 65 - H ILE 40 far 0 100 0 - 5.1-5.5 QG2 VAL 65 - H ILE 40 far 0 85 0 - 6.8-7.2 HG2 ARG 69 - H ILE 40 far 0 98 0 - 6.8-9.0 HG13 ILE 33 - H ILE 40 far 0 96 0 - 7.9-8.1 Violated in 1 structures by 0.00 A. Peak 607 from nnoeabs.peaks (1.03, 7.24, 115.36 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + H ILE 40 OK 100 100 100 100 3.3-3.5 2.1/605=82, 2.1/606=72...(14) HG3 PRO 34 - H ILE 40 far 0 95 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 HD3 PRO 36 - H VAL 41 far 0 96 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 610 from nnoeabs.peaks (1.93, 7.63, 114.41 ppm; 3.09 A): 1 out of 5 assignments used, quality = 0.94: * HB VAL 41 + H VAL 41 OK 94 100 100 94 2.5-2.7 2.1/140=64, 3.9=51...(7) HG12 ILE 40 - H VAL 41 far 0 71 0 - 4.2-4.3 HG13 ILE 68 - H VAL 41 far 0 99 0 - 7.7-8.7 HB3 ARG 70 - H VAL 41 far 0 71 0 - 9.9-11.0 HB2 ARG 70 - H VAL 41 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 611 from nnoeabs.peaks (0.80, 7.63, 114.41 ppm; 3.97 A increased from 3.53 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + H VAL 41 OK 100 100 100 100 3.8-3.8 4.0=96, 2.1/140=91...(8) QG2 ILE 68 + H VAL 41 OK 82 95 90 96 3.4-4.4 4298/3816=50...(10) QD1 ILE 68 - H VAL 41 far 0 92 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 612 from nnoeabs.peaks (0.94, 7.63, 114.41 ppm; 3.03 A): 1 out of 7 assignments used, quality = 0.98: * QG2 VAL 41 + H VAL 41 OK 98 100 100 98 2.0-2.5 1979=78, 2.1/610=60...(11) QG2 ILE 40 - H VAL 41 far 0 100 0 - 3.4-3.7 QG2 VAL 76 - H VAL 41 far 0 93 0 - 5.8-10.8 QG1 VAL 76 - H VAL 41 far 0 93 0 - 5.9-9.7 QD2 LEU 43 - H VAL 41 far 0 97 0 - 6.5-6.9 HG12 ILE 68 - H VAL 41 far 0 93 0 - 6.9-8.4 QD1 LEU 64 - H VAL 41 far 0 83 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA ASN 42 + H ASN 42 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 615 from nnoeabs.peaks (2.76, 7.72, 113.33 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.97: * HB2 ASN 42 + H ASN 42 OK 94 100 100 94 2.2-2.8 4.1=50, 3.5/5089=32...(9) HB3 ASN 42 + H ASN 42 OK 46 100 50 91 3.5-3.6 4.1=50, 3.5/5089=32...(8) Violated in 0 structures by 0.00 A. Peak 616 from nnoeabs.peaks (2.76, 7.72, 113.33 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.97: HB2 ASN 42 + H ASN 42 OK 94 100 100 94 2.2-2.8 4.1=50, 3.5/5089=32...(9) * HB3 ASN 42 + H ASN 42 OK 46 100 50 91 3.5-3.6 4.1=50, 3.5/5089=32...(8) Violated in 0 structures by 0.00 A. Peak 618 from nnoeabs.peaks (6.94, 7.72, 113.33 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 42 + H ASN 42 OK 100 100 100 100 3.2-3.9 5088=100, 1.7/5089=93...(9) QE PHE 35 - H ASN 42 far 0 99 0 - 8.2-8.7 HZ PHE 48 - H ASN 42 far 0 97 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 13 - H LEU 43 far 0 99 0 - 9.4-38.3 Violated in 0 structures by 0.00 A. Peak 621 from nnoeabs.peaks (1.72, 7.52, 120.92 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.99: * HB2 LEU 43 + H LEU 43 OK 99 100 100 99 2.3-2.5 1.8/622=63, 2009=61...(10) Violated in 0 structures by 0.00 A. Peak 622 from nnoeabs.peaks (1.44, 7.52, 120.92 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + H LEU 43 OK 100 100 100 100 3.5-3.6 1.8/621=80, 3.9=77...(11) Violated in 0 structures by 0.00 A. Peak 623 from nnoeabs.peaks (1.99, 7.52, 120.92 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.99: * HG LEU 43 + H LEU 43 OK 99 100 100 99 2.3-3.2 2023=55, 3.0/621=53...(10) Violated in 0 structures by 0.00 A. Peak 624 from nnoeabs.peaks (0.83, 7.52, 120.92 ppm; 4.18 A increased from 3.71 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + H LEU 43 OK 100 100 100 100 3.7-4.0 2030=100, 2.1/623=89...(12) QG2 ILE 68 - H LEU 43 far 0 81 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 625 from nnoeabs.peaks (0.94, 7.52, 120.92 ppm; 4.14 A increased from 3.68 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 3.2-3.9 2037=100, 2.1/623=88...(11) QG2 ILE 40 - H LEU 43 far 0 92 0 - 4.8-5.5 QG2 VAL 41 - H LEU 43 far 0 97 0 - 4.9-5.7 QG2 VAL 76 - H LEU 43 far 0 73 0 - 6.6-11.6 QG1 VAL 76 - H LEU 43 far 0 73 0 - 6.7-11.3 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA VAL 45 + H VAL 45 OK 100 100 100 100 2.8-2.8 3.0=100 HD3 PRO 44 - H VAL 45 far 0 76 0 - 5.5-5.6 Violated in 0 structures by 0.00 A. Peak 628 from nnoeabs.peaks (2.06, 8.62, 122.56 ppm; 3.29 A): 2 out of 5 assignments used, quality = 0.99: * HB VAL 45 + H VAL 45 OK 98 100 100 98 2.3-2.4 2098=78, 2.1/630=57...(5) HB3 PRO 44 + H VAL 45 OK 66 71 100 94 2.3-2.7 2.3/155=62, 4.2=49...(6) HG2 PRO 44 - H VAL 45 far 0 87 0 - 4.2-4.5 HB VAL 76 - H VAL 45 far 0 81 0 - 9.1-15.1 HB2 GLU 50 - H VAL 45 far 0 71 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 629 from nnoeabs.peaks (1.07, 8.62, 122.56 ppm; 3.87 A increased from 3.64 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + H VAL 45 OK 100 100 100 100 3.7-3.7 2103=97, 2.1/630=76...(7) Violated in 0 structures by 0.00 A. Peak 630 from nnoeabs.peaks (0.99, 8.62, 122.56 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 45 + H VAL 45 OK 100 100 100 100 2.4-2.5 2108=94, 2.1/2098=67...(8) Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA ASP 46 + H ASP 46 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 633 from nnoeabs.peaks (2.70, 8.77, 119.44 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASP 46 + H ASP 46 OK 98 100 100 98 2.3-3.4 1.8/634=78, 2117=69...(7) HB3 ASN 49 - H ASP 46 far 0 81 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 634 from nnoeabs.peaks (2.55, 8.77, 119.44 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.94: * HB3 ASP 46 + H ASP 46 OK 94 100 100 94 2.1-2.9 1.8/633=63, 2121=62...(7) Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 637 from nnoeabs.peaks (2.67, 7.27, 119.22 ppm; 3.71 A increased from 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + H ASP 47 OK 100 100 100 100 2.1-3.6 1.8/638=87, 4.1=76...(10) HB3 ASN 49 - H ASP 47 far 0 96 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 638 from nnoeabs.peaks (2.59, 7.27, 119.22 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.97: * HB3 ASP 47 + H ASP 47 OK 97 100 100 97 2.2-3.1 1.8/637=54, 4.1=48...(11) Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA PHE 48 + H PHE 48 OK 100 100 100 100 2.8-2.8 3.0=100 HD2 PRO 44 - H PHE 48 far 0 99 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 641 from nnoeabs.peaks (3.13, 8.77, 123.38 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 48 + H PHE 48 OK 99 100 100 99 2.3-2.4 1.8/642=72, 2143=67...(11) Violated in 0 structures by 0.00 A. Peak 642 from nnoeabs.peaks (2.88, 8.77, 123.38 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.99: * HB3 PHE 48 + H PHE 48 OK 99 100 100 99 2.6-2.7 1.8/641=71, 2149=69...(10) HB2 ASN 49 - H PHE 48 far 0 92 0 - 4.5-4.8 Violated in 0 structures by 0.00 A. Peak 644 from nnoeabs.peaks (7.07, 8.77, 123.38 ppm; 4.42 A increased from 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 48 + H PHE 48 OK 100 100 100 100 4.1-4.2 4.4=99, 2.5/642=88...(11) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ASN 49 + H ASN 49 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 53 - H ASN 49 far 0 71 0 - 9.5-9.7 Violated in 0 structures by 0.00 A. Peak 647 from nnoeabs.peaks (2.90, 8.65, 117.58 ppm; 3.12 A): 1 out of 2 assignments used, quality = 0.96: * HB2 ASN 49 + H ASN 49 OK 96 100 100 96 2.2-2.2 2167=55, 1.8/648=52...(10) HB3 PHE 48 - H ASN 49 far 0 90 0 - 3.9-4.1 Violated in 0 structures by 0.00 A. Peak 648 from nnoeabs.peaks (2.68, 8.65, 117.58 ppm; 3.71 A increased from 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 49 + H ASN 49 OK 100 100 100 100 3.5-3.5 2173=90, 1.8/178=88...(6) HB2 ASP 46 - H ASN 49 far 0 81 0 - 5.3-5.9 HB2 ASP 47 - H ASN 49 far 0 96 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 649 from nnoeabs.peaks (6.86, 8.65, 117.58 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 49 + H ASN 49 OK 100 100 100 100 4.4-4.6 1.7/650=90, 435=84...(7) Violated in 0 structures by 0.00 A. Peak 650 from nnoeabs.peaks (7.83, 8.65, 117.58 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + H ASN 49 OK 100 100 100 100 3.5-3.8 441=73, 3.5/178=72...(7) Violated in 0 structures by 0.00 A. 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; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 50 + H GLU 50 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 653 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 1 out of 6 assignments used, quality = 0.91: * HB2 GLU 50 + H GLU 50 OK 91 100 100 91 2.2-2.5 3.9=38, 3.0/656=32...(10) HB3 GLU 50 - H GLU 50 far 0 100 0 - 3.5-3.6 HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.5-6.8 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.9-11.0 HD3 ARG 69 - H GLU 50 far 0 97 0 - 8.3-11.6 HB VAL 45 - H GLU 50 far 0 71 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 654 from nnoeabs.peaks (2.04, 7.73, 120.91 ppm; 2.87 A): 1 out of 6 assignments used, quality = 0.91: HB2 GLU 50 + H GLU 50 OK 91 100 100 91 2.2-2.5 3.9=38, 3.0/656=32...(10) ! HB3 GLU 50 - H GLU 50 far 0 100 0 - 3.5-3.6 HG2 PRO 44 - H GLU 50 far 0 99 0 - 6.5-6.8 HD2 ARG 69 - H GLU 50 far 0 97 0 - 7.9-11.0 HD3 ARG 69 - H GLU 50 far 0 97 0 - 8.3-11.6 HB VAL 45 - H GLU 50 far 0 71 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 655 from nnoeabs.peaks (2.37, 7.73, 120.91 ppm; 4.15 A increased from 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 50 + H GLU 50 OK 100 100 100 100 3.2-4.2 2197=89, 1.8/656=84...(7) HB VAL 65 - H GLU 50 far 0 87 0 - 9.7-10.8 Violated in 1 structures by 0.00 A. Peak 656 from nnoeabs.peaks (2.21, 7.73, 120.91 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLU 50 + H GLU 50 OK 99 100 100 99 2.4-3.2 2203=80, 3.0/654=74...(6) Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA LEU 51 + H LEU 51 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 659 from nnoeabs.peaks (1.32, 7.53, 121.73 ppm; 3.12 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 51 + H LEU 51 OK 99 100 100 99 2.4-2.7 2216=77, 1.8/660=69...(13) HG2 ARG 54 - H LEU 51 far 0 92 0 - 4.2-5.9 HB2 LEU 52 - H LEU 51 far 0 93 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 660 from nnoeabs.peaks (1.60, 7.53, 121.73 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 51 + H LEU 51 OK 100 100 100 100 2.3-2.6 2223=75, 1.8/659=69...(12) HG3 ARG 54 - H LEU 51 far 0 76 0 - 3.9-7.5 HD2 LYS 39 - H LEU 51 far 0 90 0 - 7.1-10.0 HD3 LYS 39 - H LEU 51 far 0 89 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 661 from nnoeabs.peaks (0.89, 7.53, 121.73 ppm; 4.66 A increased from 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + H LEU 51 OK 100 100 100 100 4.4-4.5 3.0/659=90, 3.0/660=90...(10) QD1 LEU 62 - H LEU 51 far 0 87 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 662 from nnoeabs.peaks (0.19, 7.53, 121.73 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + H LEU 51 OK 100 100 100 100 4.1-4.2 4.5=80, 3.1/659=78...(12) Violated in 1 structures by 0.00 A. Peak 663 from nnoeabs.peaks (0.62, 7.53, 121.73 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + H LEU 51 OK 100 100 100 100 4.0-4.2 4.5=83, 2245/3.0=83...(14) Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA LEU 52 + H LEU 52 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 666 from nnoeabs.peaks (1.33, 7.43, 115.28 ppm; 3.72 A increased from 3.31 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 52 + H LEU 52 OK 100 100 100 100 3.6-3.6 3.9=85, 1.8/667=83...(9) HB2 LEU 51 + H LEU 52 OK 93 93 100 99 3.8-4.0 1.8/196=80, 2216/193=54...(8) HG2 ARG 54 - H LEU 52 far 0 60 0 - 5.2-6.6 Violated in 0 structures by 0.00 A. Peak 667 from nnoeabs.peaks (1.47, 7.43, 115.28 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 52 + H LEU 52 OK 99 100 100 99 2.5-2.6 2265=69, 3.0/668=54...(11) HB3 LEU 57 - H LEU 52 far 0 100 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 668 from nnoeabs.peaks (1.20, 7.43, 115.28 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 52 + H LEU 52 OK 99 100 100 99 2.0-2.3 2272=63, 2.1/670=50...(11) QG2 VAL 65 - H LEU 52 far 0 89 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 669 from nnoeabs.peaks (0.44, 7.43, 115.28 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + H LEU 52 OK 100 100 100 100 3.4-3.6 2.1/668=83, 2279=82...(12) Violated in 0 structures by 0.00 A. Peak 670 from nnoeabs.peaks (0.51, 7.43, 115.28 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + H LEU 52 OK 100 100 100 100 3.2-3.5 2286=88, 2.1/668=82...(11) Violated in 0 structures by 0.00 A. 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; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 53 + H ALA 53 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASN 49 - H ALA 53 far 0 71 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 673 from nnoeabs.peaks (1.39, 7.22, 117.09 ppm; 2.71 A): 1 out of 1 assignment used, quality = 0.93: * QB ALA 53 + H ALA 53 OK 93 100 100 93 2.0-2.2 2296=80, 209/926=32...(6) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ARG 54 + H ARG 54 OK 100 100 100 100 2.8-2.9 3.0=100 HA PHE 48 - H ARG 54 far 0 81 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 676 from nnoeabs.peaks (1.76, 7.53, 116.98 ppm; 3.17 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 54 + H ARG 54 OK 100 100 100 100 2.1-2.4 2307=77, 1.8/2315=53...(17) HB2 LEU 57 - H ARG 54 far 0 100 0 - 6.7-9.2 HG2 PRO 34 - H ARG 54 far 0 99 0 - 7.6-8.5 HB2 PRO 34 - H ARG 54 far 0 93 0 - 8.8-10.0 HB2 LEU 62 - H ARG 54 far 0 85 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 677 from nnoeabs.peaks (1.55, 7.53, 116.98 ppm; 3.68 A increased from 3.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 54 + H ARG 54 OK 100 100 100 100 3.4-3.6 2315=96, 1.8/676=86...(16) HG3 ARG 54 + H ARG 54 OK 63 63 100 100 2.5-3.9 1.8/678=66, 3.0/676=66...(17) HG LEU 62 - H ARG 54 far 0 87 0 - 7.1-9.5 HG2 LYS 39 - H ARG 54 far 0 100 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.31, 7.53, 116.98 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 54 + H ARG 54 OK 100 100 100 100 3.0-3.3 3.0/676=73, 1.8/2331=70...(18) HB2 LEU 52 - H ARG 54 far 0 60 0 - 5.2-5.6 HB2 LEU 51 - H ARG 54 far 0 92 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 679 from nnoeabs.peaks (1.58, 7.53, 116.98 ppm; 3.64 A increased from 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 54 + H ARG 54 OK 100 100 100 100 2.5-3.9 2331=68, 1.8/678=65...(17) HB3 ARG 54 + H ARG 54 OK 63 63 100 100 3.4-3.6 1.8/676=85, 4.1=72...(16) HB3 LEU 51 - H ARG 54 far 0 76 0 - 5.2-5.5 HG LEU 62 - H ARG 54 far 0 97 0 - 7.1-9.5 HD2 LYS 39 - H ARG 54 far 0 99 0 - 9.1-12.5 HB3 LEU 62 - H ARG 54 far 0 96 0 - 9.2-11.7 HG2 LYS 39 - H ARG 54 far 0 63 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 680 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 5.40 A increased from 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 54 + H ARG 54 OK 100 100 100 100 4.6-5.4 3.6/676=93, 3.0/678=91...(19) HD3 ARG 54 + H ARG 54 OK 100 100 100 100 4.5-5.4 3.6/676=93, 3.0/678=91...(19) Violated in 0 structures by 0.00 A. Peak 681 from nnoeabs.peaks (3.03, 7.53, 116.98 ppm; 5.40 A increased from 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + H ARG 54 OK 100 100 100 100 4.5-5.4 3.6/676=93, 3.0/678=91...(19) HD2 ARG 54 + H ARG 54 OK 100 100 100 100 4.6-5.4 3.6/676=93, 3.0/678=91...(19) Violated in 0 structures by 0.00 A. 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; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + H TYR 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 684 from nnoeabs.peaks (2.80, 7.69, 117.85 ppm; 3.26 A): 1 out of 1 assignment used, quality = 0.99: * HB2 TYR 55 + H TYR 55 OK 99 100 100 99 2.6-2.7 3.8=62, 1.8/685=56...(13) Violated in 0 structures by 0.00 A. Peak 685 from nnoeabs.peaks (2.94, 7.69, 117.85 ppm; 3.78 A increased from 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 55 + H TYR 55 OK 100 100 100 100 3.7-3.8 3.8=97, 1.8/684=87...(12) HB3 PHE 35 - H TYR 55 far 0 60 0 - 7.2-7.8 Violated in 1 structures by 0.00 A. Peak 687 from nnoeabs.peaks (7.34, 7.69, 117.85 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 55 + H TYR 55 OK 100 100 100 100 2.4-2.8 4627=96, 2.5/684=64...(20) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 HB THR 58 - H LEU 57 far 0 100 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 690 from nnoeabs.peaks (1.77, 8.15, 124.80 ppm; 3.19 A): 1 out of 7 assignments used, quality = 0.96: * HB2 LEU 57 + H LEU 57 OK 96 100 100 96 2.5-2.6 3.8=60, 3.0/692=52...(9) HB2 LEU 62 - H LEU 57 far 0 83 0 - 5.2-6.7 HG2 PRO 34 - H LEU 57 far 0 99 0 - 5.9-7.2 HB2 ARG 54 - H LEU 57 far 0 100 0 - 7.4-8.2 HB2 PRO 34 - H LEU 57 far 0 95 0 - 8.1-8.8 HB2 LYS 32 - H LEU 57 far 0 99 0 - 9.2-10.0 HB3 LYS 32 - H LEU 57 far 0 99 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 691 from nnoeabs.peaks (1.47, 8.15, 124.80 ppm; 3.89 A increased from 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.7 3.8=100 HB3 LEU 52 - H LEU 57 far 0 100 0 - 6.6-7.1 QB ALA 63 - H LEU 57 far 0 87 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 692 from nnoeabs.peaks (1.95, 8.15, 124.80 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.95: * HG LEU 57 + H LEU 57 OK 95 100 100 95 2.2-2.6 2449=49, 2.1/693=47...(7) HB2 LEU 64 - H LEU 57 far 0 89 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 693 from nnoeabs.peaks (0.71, 8.15, 124.80 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.7 2.1/692=82, 2.1/694=63...(10) QD1 ILE 33 - H LEU 57 far 0 100 0 - 6.9-7.6 Violated in 2 structures by 0.00 A. Peak 694 from nnoeabs.peaks (1.00, 8.15, 124.80 ppm; 3.92 A increased from 3.69 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + H LEU 57 OK 100 100 100 100 3.1-3.8 2.1/692=88, 2.1/693=76...(7) Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA THR 58 + H THR 58 OK 100 100 100 100 2.8-2.9 3.0=100 HA MET 31 - H THR 58 far 0 96 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (4.76, 9.06, 113.20 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.88: HA LEU 57 + H THR 58 OK 88 100 100 88 2.1-2.5 3.6=64, 3.0/228=35...(5) ! HB THR 58 - H THR 58 far 0 100 0 - 3.5-3.6 Violated in 0 structures by 0.00 A. Peak 698 from nnoeabs.peaks (1.31, 9.06, 113.20 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 58 + H THR 58 OK 100 100 100 100 2.5-3.1 2478=100, 2473/3.0=52...(8) HG3 LYS 32 - H THR 58 far 0 90 0 - 7.9-10.3 HB2 LEU 52 - H THR 58 far 0 76 0 - 7.9-8.9 HG2 LYS 32 - H THR 58 far 0 60 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 59 + H GLU 59 OK 100 100 100 100 2.8-2.8 2.9=100 HA ALA 63 - H GLU 59 far 0 89 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 701 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.94: * HB2 GLU 59 + H GLU 59 OK 94 100 100 94 2.1-2.3 4.0=44, 3.0/703=36...(11) HB3 GLU 59 - H GLU 59 far 10 100 10 - 3.3-3.6 HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.2-9.0 HB3 MET 31 - H GLU 59 far 0 81 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 702 from nnoeabs.peaks (2.09, 9.11, 120.45 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.94: HB2 GLU 59 + H GLU 59 OK 94 100 100 94 2.1-2.3 4.0=44, 3.0/703=36...(11) ! HB3 GLU 59 - H GLU 59 far 10 100 10 - 3.3-3.6 HB2 PRO 56 - H GLU 59 far 0 100 0 - 8.2-9.0 HB3 MET 31 - H GLU 59 far 0 81 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 703 from nnoeabs.peaks (2.40, 9.11, 120.45 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + H GLU 59 OK 100 100 100 100 2.5-3.9 3.0/701=73, 2500=72...(8) HB VAL 65 - H GLU 59 far 0 97 0 - 9.9-10.2 Violated in 0 structures by 0.00 A. Peak 704 from nnoeabs.peaks (2.32, 9.11, 120.45 ppm; 4.22 A increased from 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 59 + H GLU 59 OK 100 100 100 100 2.7-4.2 2506=90, 1.8/703=84...(8) Violated in 0 structures by 0.00 A. 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; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 100 100 2.9-2.9 3.0=100 HA LEU 64 - H SER 60 far 0 87 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 707 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 HB3 SER 60 + H SER 60 OK 100 100 100 100 2.6-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 708 from nnoeabs.peaks (3.84, 8.51, 114.41 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 60 + H SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 * HB3 SER 60 + H SER 60 OK 100 100 100 100 2.6-3.6 3.8=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA GLN 61 + H GLN 61 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 28 - H GLN 61 far 0 99 0 - 9.4-10.3 HA LYS 32 - H GLN 61 far 0 96 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 711 from nnoeabs.peaks (2.53, 7.68, 122.99 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + H GLN 61 OK 100 100 100 100 2.3-2.6 4.0=71, 1.8/712=62...(13) HG3 MET 31 - H GLN 61 far 0 100 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 712 from nnoeabs.peaks (1.66, 7.68, 122.99 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 61 + H GLN 61 OK 100 100 100 100 3.5-3.6 4.0=97, 1.8/711=85...(11) Violated in 0 structures by 0.00 A. Peak 713 from nnoeabs.peaks (2.60, 7.68, 122.99 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLN 61 + H GLN 61 OK 99 100 100 99 2.2-2.7 1.8/714=61, 3.0/711=56...(12) HG2 MET 31 - H GLN 61 far 0 73 0 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 714 from nnoeabs.peaks (2.16, 7.68, 122.99 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + H GLN 61 OK 100 100 100 100 3.4-3.9 1.8/713=86, 3.0/711=68...(11) Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HA LEU 62 + H LEU 62 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 719 from nnoeabs.peaks (1.75, 8.82, 120.20 ppm; 3.14 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LEU 62 + H LEU 62 OK 99 100 100 99 2.1-2.3 2571=68, 1.8/2578=53...(16) HB2 LEU 57 - H LEU 62 far 0 83 0 - 3.6-4.1 HB2 LYS 32 - H LEU 62 far 0 65 0 - 8.6-9.6 HG2 PRO 34 - H LEU 62 far 0 95 0 - 9.0-9.9 HB ILE 33 - H LEU 62 far 0 78 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.59, 8.82, 120.20 ppm; 3.39 A increased from 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 100 100 100 100 3.2-3.5 1.8/719=78, 2578=76...(16) HG LEU 62 + H LEU 62 OK 74 78 95 100 3.3-4.0 3.0/719=57, 2.1/723=48...(14) HD2 LYS 32 - H LEU 62 far 0 78 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 721 from nnoeabs.peaks (1.57, 8.82, 120.20 ppm; 3.49 A increased from 3.10 A): 2 out of 3 assignments used, quality = 0.99: * HG LEU 62 + H LEU 62 OK 95 100 95 100 3.3-4.0 2585=65, 3.0/719=60...(14) HB3 LEU 62 + H LEU 62 OK 78 78 100 100 3.2-3.5 1.8/719=81, 4.0=67...(16) HG LEU 64 - H LEU 62 far 0 68 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 722 from nnoeabs.peaks (0.93, 8.82, 120.20 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 62 + H LEU 62 OK 100 100 100 100 4.2-4.5 3.1/719=78, 2.1/2585=76...(17) QD1 LEU 64 - H LEU 62 far 0 71 0 - 7.3-7.5 QG2 ILE 40 - H LEU 62 far 0 100 0 - 8.8-9.2 Violated in 3 structures by 0.02 A. Peak 723 from nnoeabs.peaks (0.87, 8.82, 120.20 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 62 + H LEU 62 OK 100 100 100 100 2.2-3.5 2599=89, 3.1/719=77...(16) HG LEU 51 - H LEU 62 far 0 87 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ALA 63 + H ALA 63 OK 100 100 100 100 2.8-2.8 3.0=100 HA GLU 59 - H ALA 63 far 0 89 0 - 3.9-4.2 Violated in 0 structures by 0.00 A. Peak 726 from nnoeabs.peaks (1.49, 7.98, 119.93 ppm; 2.74 A): 1 out of 3 assignments used, quality = 0.93: * QB ALA 63 + H ALA 63 OK 93 100 100 93 2.0-2.2 2.9=81, 263/934=31...(7) HB3 LEU 57 - H ALA 63 far 0 87 0 - 5.4-6.3 HB3 LEU 52 - H ALA 63 far 0 95 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 60 - H LEU 64 far 0 87 0 - 4.7-5.5 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.97, 7.42, 119.17 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 100 100 100 100 2.4-2.4 2619=72, 1.8/730=68...(13) QE MET 31 - H LEU 64 far 4 87 5 - 3.5-4.4 HG LEU 57 - H LEU 64 far 0 89 0 - 8.9-9.6 HB3 ARG 70 - H LEU 64 far 0 89 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 730 from nnoeabs.peaks (1.70, 7.42, 119.17 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 100 100 100 100 2.6-2.8 2626=81, 1.8/729=74...(14) HG3 ARG 66 - H LEU 64 far 0 100 0 - 5.9-7.5 HG2 ARG 70 - H LEU 64 far 0 97 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 731 from nnoeabs.peaks (1.54, 7.42, 119.17 ppm; 4.49 A increased from 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + H LEU 64 OK 100 100 100 100 4.4-4.4 2633=94, 3.0/729=84...(10) HG LEU 62 - H LEU 64 far 0 68 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 732 from nnoeabs.peaks (0.84, 7.42, 119.17 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 4.0-4.1 4.4=83, 3.1/729=73...(14) Violated in 0 structures by 0.00 A. Peak 733 from nnoeabs.peaks (0.95, 7.42, 119.17 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 4.1-4.3 2647=98, 2648/3.0=84...(12) QD2 LEU 62 - H LEU 64 far 0 71 0 - 5.9-6.8 QG2 ILE 40 - H LEU 64 far 0 71 0 - 7.2-7.9 Violated in 1 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA VAL 65 + H VAL 65 OK 100 100 100 100 2.8-2.8 3.0=100 HA ARG 69 - H VAL 65 far 0 100 0 - 8.6-9.1 HA ILE 40 - H VAL 65 far 0 100 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 736 from nnoeabs.peaks (2.39, 8.38, 117.58 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.99: * HB VAL 65 + H VAL 65 OK 99 100 100 99 2.7-2.7 2659=70, 2.1/738=69...(8) HG2 GLU 59 - H VAL 65 far 0 97 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 737 from nnoeabs.peaks (1.23, 8.38, 117.58 ppm; 3.07 A): 1 out of 5 assignments used, quality = 0.82: QG2 VAL 65 + H VAL 65 OK 82 83 100 99 1.9-2.1 2669=67, 2.1/736=60...(16) ! QG1 VAL 65 - H VAL 65 far 0 100 0 - 3.8-3.8 HG13 ILE 33 - H VAL 65 far 0 95 0 - 6.1-6.3 HG13 ILE 40 - H VAL 65 far 0 100 0 - 6.5-7.1 HG2 ARG 69 - H VAL 65 far 0 99 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 738 from nnoeabs.peaks (1.21, 8.38, 117.58 ppm; 2.89 A): 1 out of 6 assignments used, quality = 0.99: * QG2 VAL 65 + H VAL 65 OK 99 100 100 99 1.9-2.1 2669=68, 2.1/736=54...(16) QG1 VAL 65 - H VAL 65 far 0 83 0 - 3.8-3.8 HG13 ILE 33 - H VAL 65 far 0 99 0 - 6.1-6.3 HG13 ILE 40 - H VAL 65 far 0 85 0 - 6.5-7.1 HG LEU 52 - H VAL 65 far 0 89 0 - 7.3-8.2 HG2 ARG 69 - H VAL 65 far 0 63 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA ARG 66 + H ARG 66 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLN 61 - H ARG 66 far 0 96 0 - 6.6-7.2 HA ARG 70 - H ARG 66 far 0 71 0 - 8.7-9.4 HA ALA 28 - H ARG 66 far 0 85 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 741 from nnoeabs.peaks (1.88, 8.59, 117.85 ppm; 3.76 A increased from 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HB2 ARG 66 + H ARG 66 OK 100 100 100 100 3.6-3.6 4.0=84, 1.8/742=84...(17) HB ILE 68 - H ARG 66 far 0 81 0 - 5.3-5.5 HG12 ILE 40 - H ARG 66 far 0 60 0 - 8.1-8.8 HB2 ARG 71 - H ARG 66 far 0 76 0 - 8.4-10.6 HB3 ARG 71 - H ARG 66 far 0 78 0 - 8.6-10.8 HB3 ARG 27 - H ARG 66 far 0 78 0 - 8.7-9.6 HB2 ARG 27 - H ARG 66 far 0 76 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 742 from nnoeabs.peaks (1.94, 8.59, 117.85 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 66 + H ARG 66 OK 100 100 100 100 2.3-2.5 4.0=59, 1.8/741=59...(20) HG13 ILE 68 - H ARG 66 far 0 87 0 - 5.3-5.7 HB3 ARG 70 - H ARG 66 far 0 95 0 - 6.7-9.6 HB2 ARG 70 - H ARG 66 far 0 95 0 - 7.3-9.2 HB2 MET 31 - H ARG 66 far 0 99 0 - 8.8-9.3 HG LEU 57 - H ARG 66 far 0 95 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 743 from nnoeabs.peaks (2.01, 8.59, 117.85 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 66 + H ARG 66 OK 100 100 100 100 2.5-2.8 1.8/744=58, 2.8/742=56...(16) HD3 ARG 69 - H ARG 66 far 0 83 0 - 6.4-8.6 HD2 ARG 69 - H ARG 66 far 0 83 0 - 6.8-8.5 QE MET 31 - H ARG 66 far 0 81 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 744 from nnoeabs.peaks (1.70, 8.59, 117.85 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 66 + H ARG 66 OK 100 100 100 100 3.2-3.9 1.8/743=86, 2.8/742=70...(17) HB3 LEU 64 - H ARG 66 far 0 100 0 - 5.6-5.8 HG2 ARG 70 - H ARG 66 far 0 95 0 - 6.4-9.4 Violated in 3 structures by 0.00 A. Peak 745 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 5.15 A increased from 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 66 + H ARG 66 OK 100 100 100 100 4.0-5.1 3.0/743=94, 3.4/742=89...(17) HD3 ARG 66 + H ARG 66 OK 100 100 100 100 4.0-5.1 3.0/743=94, 3.4/742=89...(17) HD3 ARG 70 - H ARG 66 far 0 92 0 - 6.6-10.4 HD2 ARG 70 - H ARG 66 far 0 89 0 - 6.6-11.0 HD3 ARG 27 - H ARG 66 far 0 83 0 - 8.7-12.6 HD2 ARG 27 - H ARG 66 far 0 83 0 - 8.7-12.1 HD3 ARG 71 - H ARG 66 far 0 97 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 746 from nnoeabs.peaks (3.19, 8.59, 117.85 ppm; 5.15 A increased from 4.34 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 66 + H ARG 66 OK 100 100 100 100 4.0-5.1 3.0/743=94, 3.4/742=89...(17) HD2 ARG 66 + H ARG 66 OK 100 100 100 100 4.0-5.1 3.0/743=94, 3.4/742=89...(17) HD3 ARG 70 - H ARG 66 far 0 89 0 - 6.6-10.4 HD2 ARG 70 - H ARG 66 far 0 85 0 - 6.6-11.0 HD3 ARG 27 - H ARG 66 far 0 87 0 - 8.7-12.6 HD2 ARG 27 - H ARG 66 far 0 87 0 - 8.7-12.1 HD3 ARG 71 - H ARG 66 far 0 95 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ASP 67 + H ASP 67 OK 100 100 100 100 2.8-2.9 3.0=100 HA ASP 24 - H ASP 67 far 0 97 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 749 from nnoeabs.peaks (2.90, 7.93, 121.56 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.97: * HB2 ASP 67 + H ASP 67 OK 97 100 100 97 2.1-2.4 2734=74, 1.8/750=64...(8) Violated in 0 structures by 0.00 A. Peak 750 from nnoeabs.peaks (2.84, 7.93, 121.56 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ASP 67 + H ASP 67 OK 99 100 100 99 2.7-3.2 2738=84, 1.8/749=75...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 753 from nnoeabs.peaks (1.90, 8.44, 120.04 ppm; 2.96 A): 2 out of 4 assignments used, quality = 0.99: * HB ILE 68 + H ILE 68 OK 97 100 100 97 2.5-2.6 2749=51, 3.2/754=37...(13) HG13 ILE 68 + H ILE 68 OK 64 65 100 97 2.0-2.3 2.1/754=51, 1.8/755=47...(14) HB2 ARG 66 - H ILE 68 far 0 81 0 - 5.5-6.0 HG12 ILE 40 - H ILE 68 far 0 99 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 754 from nnoeabs.peaks (0.81, 8.44, 120.04 ppm; 3.38 A): 1 out of 4 assignments used, quality = 0.62: QD1 ILE 68 + H ILE 68 OK 62 63 100 99 3.0-3.5 2.1/755=59, 2.1/2770=53...(14) ! QG2 ILE 68 - H ILE 68 far 0 100 0 - 3.8-3.8 QG1 VAL 41 - H ILE 68 far 0 95 0 - 7.3-8.2 QD1 LEU 43 - H ILE 68 far 0 81 0 - 9.8-10.5 Violated in 4 structures by 0.02 A. Peak 755 from nnoeabs.peaks (0.92, 8.44, 120.04 ppm; 3.67 A increased from 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 68 + H ILE 68 OK 100 100 100 100 3.4-3.7 2.1/754=75, 1.8/2770=67...(11) QG2 ILE 40 - H ILE 68 far 5 98 5 - 3.9-4.5 QG2 VAL 41 - H ILE 68 far 0 93 0 - 5.4-6.1 QD2 LEU 62 - H ILE 68 far 0 98 0 - 8.0-9.7 QG2 VAL 76 - H ILE 68 far 0 100 0 - 9.5-14.0 Violated in 2 structures by 0.00 A. Peak 756 from nnoeabs.peaks (1.92, 8.44, 120.04 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 68 + H ILE 68 OK 99 100 100 99 2.0-2.3 2.1/754=52, 1.8/755=49...(14) HB ILE 68 + H ILE 68 OK 63 65 100 96 2.5-2.6 3.9=44, 3.2/754=38...(14) HB3 ARG 66 - H ILE 68 far 0 87 0 - 5.1-5.4 HG12 ILE 40 - H ILE 68 far 0 85 0 - 7.2-7.8 HB2 MET 31 - H ILE 68 far 0 96 0 - 8.7-9.2 HB VAL 41 - H ILE 68 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 757 from nnoeabs.peaks (0.78, 8.44, 120.04 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + H ILE 68 OK 100 100 100 100 3.0-3.5 2777=62, 2.1/755=60...(14) QG2 ILE 68 - H ILE 68 far 0 63 0 - 3.8-3.8 QG1 VAL 41 - H ILE 68 far 0 92 0 - 7.3-8.2 Violated in 2 structures by 0.01 A. 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): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + H ARG 69 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 65 - H ARG 69 far 0 100 0 - 4.2-4.7 HA ILE 40 - H ARG 69 far 0 100 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 760 from nnoeabs.peaks (1.80, 7.98, 119.32 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ARG 69 + H ARG 69 OK 99 100 100 99 2.3-2.5 1.8/763=73, 2792=70...(11) HB2 LYS 73 - H ARG 69 far 0 83 0 - 6.3-7.2 HB3 LYS 73 - H ARG 69 far 0 71 0 - 7.3-8.8 HB3 LYS 75 - H ARG 69 far 0 92 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 761 from nnoeabs.peaks (1.39, 7.98, 119.32 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.99: * HB3 ARG 69 + H ARG 69 OK 99 100 100 99 2.5-2.8 1.8/760=71, 2800=61...(12) HG3 ARG 69 - H ARG 69 far 0 87 0 - 4.3-4.7 HG3 LYS 73 - H ARG 69 far 0 99 0 - 7.1-9.7 HG3 LYS 75 - H ARG 69 far 0 100 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 762 from nnoeabs.peaks (1.24, 7.98, 119.32 ppm; 4.51 A increased from 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + H ARG 69 OK 100 100 100 100 4.3-4.6 4.7=89, 3.0/763=85...(10) QG1 VAL 65 + H ARG 69 OK 93 99 95 99 4.4-4.8 5034/292=73, 5797=55...(8) HG13 ILE 40 - H ARG 69 far 0 98 0 - 5.6-6.2 QG2 VAL 65 - H ARG 69 far 0 63 0 - 5.9-6.4 HG13 ILE 33 - H ARG 69 far 0 81 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 763 from nnoeabs.peaks (1.38, 7.98, 119.32 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.85: HB3 ARG 69 + H ARG 69 OK 85 87 100 98 2.5-2.8 1.8/760=68, 4.0=55...(12) ! HG3 ARG 69 - H ARG 69 far 0 100 0 - 4.3-4.7 HG3 LYS 73 - H ARG 69 far 0 97 0 - 7.1-9.7 HG3 LYS 75 - H ARG 69 far 0 95 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ARG 70 + H ARG 70 OK 100 100 100 100 2.8-2.9 2.9=100 HA ARG 66 - H ARG 70 far 0 71 0 - 4.0-5.1 HA PHE 48 - H ARG 70 far 0 65 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 768 from nnoeabs.peaks (1.95, 7.95, 118.23 ppm; 2.95 A): 2 out of 5 assignments used, quality = 0.89: * HB2 ARG 70 + H ARG 70 OK 78 100 85 91 2.6-3.6 4.1=38, 2.9/2864=26...(16) HB3 ARG 70 + H ARG 70 OK 50 100 55 92 2.3-3.6 4.1=38, 2.9/2864=26...(16) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.9-6.8 HB VAL 41 - H ARG 70 far 0 71 0 - 7.8-8.6 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 769 from nnoeabs.peaks (1.95, 7.95, 118.23 ppm; 2.95 A): 2 out of 5 assignments used, quality = 0.89: HB2 ARG 70 + H ARG 70 OK 78 100 85 91 2.6-3.6 4.1=38, 2.9/2864=26...(16) * HB3 ARG 70 + H ARG 70 OK 50 100 55 92 2.3-3.6 4.1=38, 2.9/2864=26...(16) HB3 ARG 66 - H ARG 70 far 0 95 0 - 5.9-6.8 HB VAL 41 - H ARG 70 far 0 71 0 - 7.8-8.6 HB2 LEU 64 - H ARG 70 far 0 89 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 770 from nnoeabs.peaks (1.71, 7.95, 118.23 ppm; 4.48 A increased from 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 70 + H ARG 70 OK 100 100 100 100 1.9-4.3 2864=100, 2844/2.9=75...(16) HG3 ARG 66 - H ARG 70 far 0 95 0 - 6.2-8.1 HB2 LEU 43 - H ARG 70 far 0 90 0 - 9.6-10.4 HB3 LEU 64 - H ARG 70 far 0 97 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 771 from nnoeabs.peaks (1.61, 7.95, 118.23 ppm; 4.71 A increased from 4.18 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 70 + H ARG 70 OK 100 100 100 100 3.0-4.6 2872=95, 1.8/2864=84...(17) HG2 ARG 71 + H ARG 70 OK 23 99 30 77 4.2-6.8 2920/303=65...(5) HD3 LYS 73 - H ARG 70 far 0 100 0 - 5.3-9.7 HD2 LYS 73 - H ARG 70 far 0 100 0 - 6.1-9.1 HG3 ARG 27 - H ARG 70 far 0 83 0 - 9.5-12.9 HG2 ARG 27 - H ARG 70 far 0 85 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ARG 71 + H ARG 71 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 63 - H ARG 71 far 0 93 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 776 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 1 out of 6 assignments used, quality = 0.81: * HB2 ARG 71 + H ARG 71 OK 81 100 85 96 2.2-3.6 4.0=49, 2.8/779=45...(14) HB3 ARG 71 - H ARG 71 poor 20 100 20 - 2.1-3.6 HB2 LYS 75 - H ARG 71 far 0 97 0 - 6.8-9.2 HB2 ARG 66 - H ARG 71 far 0 76 0 - 6.8-8.1 HB2 ARG 27 - H ARG 71 far 0 100 0 - 8.9-11.2 HB3 ARG 27 - H ARG 71 far 0 100 0 - 9.2-10.7 Violated in 4 structures by 0.07 A. Peak 777 from nnoeabs.peaks (1.85, 8.11, 117.98 ppm; 3.15 A): 1 out of 6 assignments used, quality = 0.81: HB2 ARG 71 + H ARG 71 OK 81 100 85 96 2.2-3.6 4.0=49, 2.8/779=45...(14) ! HB3 ARG 71 - H ARG 71 poor 19 100 20 96 2.1-3.6 4.0=49, 2.8/779=45...(14) HB2 LYS 75 - H ARG 71 far 0 97 0 - 6.8-9.2 HB2 ARG 66 - H ARG 71 far 0 78 0 - 6.8-8.1 HB2 ARG 27 - H ARG 71 far 0 100 0 - 8.9-11.2 HB3 ARG 27 - H ARG 71 far 0 100 0 - 9.2-10.7 Violated in 4 structures by 0.07 A. Peak 778 from nnoeabs.peaks (1.62, 8.11, 117.98 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.97: * HG2 ARG 71 + H ARG 71 OK 95 100 95 100 2.0-4.4 1.8/779=81, 2.8/776=72...(18) HG3 ARG 70 + H ARG 71 OK 39 99 40 98 2.8-5.0 1.8/307=61, 2873/3.6=48...(12) HD3 LYS 73 - H ARG 71 far 0 98 0 - 6.3-9.8 HD2 LYS 73 - H ARG 71 far 0 98 0 - 7.2-9.4 HG3 ARG 27 - H ARG 71 far 0 95 0 - 8.2-11.7 HG2 ARG 27 - H ARG 71 far 0 96 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 779 from nnoeabs.peaks (1.75, 8.11, 117.98 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.99: * HG3 ARG 71 + H ARG 71 OK 99 100 100 99 2.1-3.7 2.8/776=64, 2928=64...(15) HB3 LYS 73 - H ARG 71 far 0 68 0 - 5.6-7.2 Violated in 2 structures by 0.01 A. 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 4 assignments used, quality = 1.00: * HA2 GLY 72 + H GLY 72 OK 100 100 100 100 2.3-2.9 3.0=100 HA ARG 66 - H GLY 72 far 0 93 0 - 7.5-9.0 HA THR 37 - H GLY 72 far 0 65 0 - 7.6-9.1 HA VAL 76 - H GLY 72 far 0 100 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.99: * HA LYS 73 + H LYS 73 OK 99 99 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 787 from nnoeabs.peaks (1.82, 8.00, 120.49 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.97: * HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.1-2.2 2968=56, 2.9/789=32...(16) HB2 LYS 75 - H LYS 73 far 0 83 0 - 4.9-6.9 HB2 ARG 69 - H LYS 73 far 0 83 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.78, 8.00, 120.49 ppm; 3.52 A increased from 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 73 + H LYS 73 OK 100 100 100 100 2.9-3.4 4.0=66, 1.8/2968=64...(16) HB3 LYS 75 - H LYS 73 far 0 97 0 - 4.8-6.1 HG3 ARG 71 - H LYS 73 far 0 68 0 - 5.0-7.2 HB2 ARG 69 - H LYS 73 far 0 71 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 789 from nnoeabs.peaks (1.48, 8.00, 120.49 ppm; 4.35 A increased from 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 3.4-4.1 2988=95, 2.9/787=84...(19) Violated in 0 structures by 0.00 A. Peak 790 from nnoeabs.peaks (1.39, 8.00, 120.49 ppm; 4.73 A increased from 3.99 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 3.2-4.6 2998=100, 2.9/787=91...(24) HG3 ARG 69 - H LYS 73 poor 19 97 20 - 4.1-7.1 HG3 LYS 75 - H LYS 73 far 5 100 5 - 3.9-8.3 HG2 LYS 75 - H LYS 73 far 0 100 0 - 5.2-8.4 HB3 ARG 69 - H LYS 73 far 0 99 0 - 5.4-6.8 QB ALA 77 - H LYS 73 far 0 96 0 - 5.5-6.8 QB ALA 78 - H LYS 73 far 0 100 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 791 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 5.51 A increased from 4.41 A): 2 out of 4 assignments used, quality = 1.00: HD3 LYS 73 + H LYS 73 OK 100 100 100 100 3.3-5.8 3.5/787=95, 3.5/788=92...(18) * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.5-5.7 3.5/787=95, 3.5/788=92...(20) HG3 ARG 70 - H LYS 73 poor 20 100 20 - 5.1-7.4 HG2 ARG 71 - H LYS 73 poor 20 98 20 - 4.5-7.5 Violated in 0 structures by 0.00 A. Peak 792 from nnoeabs.peaks (1.61, 8.00, 120.49 ppm; 5.51 A increased from 4.41 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 73 + H LYS 73 OK 100 100 100 100 3.3-5.8 3.5/787=95, 3.5/788=92...(18) HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.5-5.7 3.5/787=95, 3.5/788=92...(20) HG3 ARG 70 - H LYS 73 poor 20 100 20 - 5.1-7.4 HG2 ARG 71 - H LYS 73 poor 20 98 20 - 4.5-7.5 Violated in 0 structures by 0.00 A. Peak 795 from nnoeabs.peaks (8.15, 8.15, 119.01 ppm; diagonal): 2 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; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 74 + H ASN 74 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 36 - H ARG 26 far 0 55 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 797 from nnoeabs.peaks (2.81, 8.15, 119.01 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.92: * HB2 ASN 74 + H ASN 74 OK 85 100 100 85 2.2-3.5 4.0=78, 334/4.6=22...(4) HB3 ASN 74 + H ASN 74 OK 47 57 100 82 2.3-3.6 4.0=78, 334/4.6=12...(4) HB3 ASP 67 - H ASN 74 far 0 65 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 798 from nnoeabs.peaks (2.78, 8.15, 119.01 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.94: * HB3 ASN 74 + H ASN 74 OK 88 100 100 88 2.3-3.6 4.0=83, 335/4.6=22...(4) HB2 ASN 74 + H ASN 74 OK 49 57 100 86 2.2-3.5 4.0=83, 335/4.6=12...(4) HB3 ASN 80 - H ASN 74 far 0 71 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. 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; 3.83 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 75 + H LYS 75 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 85 + H LYS 85 OK 44 44 100 100 2.3-2.9 2.9=100 HA LYS 83 - H LYS 85 far 3 54 5 - 3.5-6.5 HA ALA 77 - H LYS 75 far 0 97 0 - 5.9-6.8 HA ALA 77 - H LYS 85 far 0 49 0 - 9.6-18.2 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (1.84, 8.09, 121.69 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LYS 75 + H LYS 75 OK 98 100 100 98 2.2-3.6 4.0=82, 340/5410=40...(16) HB3 ARG 71 - H LYS 75 far 0 97 0 - 4.9-7.5 HB2 LYS 73 - H LYS 75 far 0 83 0 - 4.9-5.5 HB2 ARG 71 - H LYS 75 far 0 97 0 - 5.4-7.4 Violated in 0 structures by 0.00 A. Peak 804 from nnoeabs.peaks (1.79, 8.09, 121.69 ppm; 3.56 A): 3 out of 7 assignments used, quality = 0.98: * HB3 LYS 75 + H LYS 75 OK 95 100 100 95 2.2-3.0 4.0=70, 3977/5410=34...(14) HB2 LYS 85 + H LYS 85 OK 40 44 100 89 2.2-3.8 4.0=68, 2.9/5849=39...(7) HB3 ARG 84 + H LYS 85 OK 31 44 90 77 2.3-4.2 4.6=45, 3370/3.6=21...(8) HB3 LYS 73 - H LYS 75 far 0 97 0 - 4.7-5.4 HB2 LYS 83 - H LYS 85 far 0 52 0 - 5.4-7.7 HB3 ARG 82 - H LYS 85 far 0 35 0 - 6.4-10.7 HB2 ARG 69 - H LYS 75 far 0 92 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 805 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.77 A increased from 4.49 A): 4 out of 11 assignments used, quality = 1.00: HG3 LYS 75 + H LYS 75 OK 100 100 100 100 2.0-4.7 4.8=97, 2.7/803=87...(17) * HG2 LYS 75 + H LYS 75 OK 100 100 100 100 3.1-4.6 4.8=97, 2.7/803=87...(18) QB ALA 77 + H LYS 75 OK 82 93 95 92 4.0-5.5 6040/3.6=74, 5058/4.6=29...(7) HG2 LYS 85 + H LYS 85 OK 47 48 100 100 2.0-4.9 4.8=96, 1.8/5849=84...(5) QB ALA 78 - H LYS 75 far 5 100 5 - 4.7-8.7 HG2 LYS 83 - H LYS 85 far 2 37 5 - 4.9-8.4 HG3 LYS 73 - H LYS 75 far 0 100 0 - 5.3-6.8 QB ALA 78 - H LYS 85 far 0 54 0 - 5.6-15.5 HG3 ARG 69 - H LYS 75 far 0 95 0 - 8.1-11.1 QB ALA 77 - H LYS 85 far 0 46 0 - 8.6-15.7 HB3 ARG 69 - H LYS 75 far 0 100 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 806 from nnoeabs.peaks (1.39, 8.09, 121.69 ppm; 4.77 A increased from 4.49 A): 4 out of 11 assignments used, quality = 1.00: * HG3 LYS 75 + H LYS 75 OK 100 100 100 100 2.0-4.7 4.8=97, 2.7/803=87...(17) HG2 LYS 75 + H LYS 75 OK 100 100 100 100 3.1-4.6 4.8=97, 2.7/803=87...(18) QB ALA 77 + H LYS 75 OK 82 93 95 92 4.0-5.5 6040/3.6=74, 5058/4.6=29...(7) HG2 LYS 85 + H LYS 85 OK 47 48 100 100 2.0-4.9 4.8=96, 1.8/5849=84...(5) QB ALA 78 - H LYS 75 far 5 100 5 - 4.7-8.7 HG2 LYS 83 - H LYS 85 far 2 37 5 - 4.9-8.4 HG3 LYS 73 - H LYS 75 far 0 100 0 - 5.3-6.8 QB ALA 78 - H LYS 85 far 0 54 0 - 5.6-15.5 HG3 ARG 69 - H LYS 75 far 0 95 0 - 8.1-11.1 QB ALA 77 - H LYS 85 far 0 46 0 - 8.6-15.7 HB3 ARG 69 - H LYS 75 far 0 100 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA VAL 76 + H VAL 76 OK 100 100 100 100 2.8-2.9 3.0=100 HA2 GLY 72 - H VAL 76 far 0 100 0 - 4.7-6.2 Violated in 0 structures by 0.00 A. Peak 813 from nnoeabs.peaks (2.04, 7.96, 120.67 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.85: * HB VAL 76 + H VAL 76 OK 85 100 90 95 2.6-3.6 2.1/814=65, 3161=63...(8) HD3 ARG 69 - H VAL 76 far 0 93 0 - 8.7-12.6 Violated in 2 structures by 0.05 A. Peak 814 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.97: * QG1 VAL 76 + H VAL 76 OK 97 100 100 97 1.9-3.0 2.1/813=60, 3166=55...(12) QG2 VAL 76 - H VAL 76 far 10 100 10 - 1.9-4.0 QG2 VAL 41 - H VAL 76 far 0 93 0 - 5.0-7.0 QG2 ILE 40 - H VAL 76 far 0 98 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 815 from nnoeabs.peaks (0.92, 7.96, 120.67 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.97: QG1 VAL 76 + H VAL 76 OK 97 100 100 97 1.9-3.0 2.1/813=60, 3166=55...(12) ! QG2 VAL 76 - H VAL 76 far 10 100 10 - 1.9-4.0 QG2 VAL 41 - H VAL 76 far 0 93 0 - 5.0-7.0 QG2 ILE 40 - H VAL 76 far 0 98 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. 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; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 77 + H ALA 77 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 75 - H ALA 77 poor 19 97 30 65 3.6-5.5 3.6/5411=41, 4.7/349=33...(5) HA ALA 78 - H ALA 77 far 0 63 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 818 from nnoeabs.peaks (1.38, 8.23, 126.87 ppm; 3.02 A): 1 out of 6 assignments used, quality = 1.00: * QB ALA 77 + H ALA 77 OK 100 100 100 100 2.0-2.5 2.9=100 QB ALA 78 - H ALA 77 far 0 96 0 - 3.5-4.4 HG2 LYS 75 - H ALA 77 far 0 93 0 - 4.5-7.2 HG3 LYS 75 - H ALA 77 far 0 93 0 - 4.9-8.2 HG3 LYS 73 - H ALA 77 far 0 96 0 - 5.0-8.4 HG2 LYS 83 - H ALA 77 far 0 99 0 - 9.9-16.4 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HA ALA 78 + H ALA 78 OK 100 100 100 100 2.8-2.9 2.9=100 HA ALA 77 + H ALA 78 OK 46 65 80 87 3.4-3.6 3.6=73, 2.1/355=32...(5) HA GLN 79 - H ALA 78 far 0 98 0 - 5.2-5.5 HA LYS 73 - H ALA 78 far 0 69 0 - 6.3-8.0 HA ARG 84 - H ALA 78 far 0 78 0 - 7.7-17.1 Violated in 0 structures by 0.00 A. Peak 821 from nnoeabs.peaks (1.39, 8.15, 122.77 ppm; 2.85 A): 2 out of 7 assignments used, quality = 0.98: * QB ALA 78 + H ALA 78 OK 93 100 100 93 2.0-2.3 2.9=92, 3.6/5857=12, 4.6/3185=9 QB ALA 77 + H ALA 78 OK 67 96 100 70 2.5-3.1 3.6=51, 2.1/3988=28, 2.9/5857=16 HG2 LYS 75 - H ALA 78 far 0 100 0 - 5.1-8.9 HG3 LYS 75 - H ALA 78 far 0 100 0 - 5.1-10.0 HG3 LYS 73 - H ALA 78 far 0 100 0 - 7.4-10.3 HG2 LYS 83 - H ALA 78 far 0 85 0 - 7.6-14.5 HG2 LYS 85 - H ALA 78 far 0 97 0 - 9.0-20.9 Violated in 0 structures by 0.00 A. 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; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 79 + H GLN 79 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 78 + H GLN 79 OK 98 98 100 100 3.4-3.6 3.6=100 HA ARG 84 - H GLN 79 far 0 94 0 - 5.6-16.4 HA LYS 73 - H GLN 79 far 0 87 0 - 7.3-9.7 HA ARG 82 - H GLN 79 far 0 81 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 824 from nnoeabs.peaks (1.97, 8.22, 118.71 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.94: * HB2 GLN 79 + H GLN 79 OK 87 100 100 87 2.2-2.7 4.0=78, 3.0/5415=22...(4) HB3 GLN 79 + H GLN 79 OK 54 63 100 87 2.5-3.6 4.0=78, 3.0/5415=22, 3.0/5415=21 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LYS 83 + H LYS 83 OK 100 100 100 100 2.8-2.9 2.9=100 HA LYS 85 - H LYS 83 far 0 93 0 - 6.3-9.1 HA ALA 77 - H LYS 83 far 0 97 0 - 7.8-12.3 Violated in 0 structures by 0.00 A. Peak 832 from nnoeabs.peaks (1.78, 8.31, 123.08 ppm; 4.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 83 + H LYS 83 OK 100 100 100 100 2.2-3.8 4.0=100 HB3 ARG 82 + H LYS 83 OK 62 90 75 91 2.8-4.6 4.4=75, 5479/5.0=40...(4) HB3 ARG 84 - H LYS 83 far 0 81 0 - 5.1-7.7 HB2 LYS 85 - H LYS 83 far 0 81 0 - 5.3-10.5 Violated in 0 structures by 0.00 A. Peak 833 from nnoeabs.peaks (1.72, 8.31, 123.08 ppm; 3.92 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LYS 83 + H LYS 83 OK 97 100 100 97 2.5-3.9 4.0=92, 1.8/361=46...(4) HB2 ARG 82 + H LYS 83 OK 60 76 95 83 2.1-4.5 4.4=69, 1.8/361=31, 5477/4.6=21 HB2 ARG 84 - H LYS 83 far 0 98 0 - 5.3-7.3 HB3 LYS 85 - H LYS 83 far 0 100 0 - 6.3-10.5 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HA ARG 84 + H ARG 84 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 82 - H ARG 84 far 0 99 0 - 5.2-6.6 HA LEU 29 - H ALA 28 far 0 57 0 - 5.2-5.3 HA GLN 79 - H ARG 84 far 0 95 0 - 5.6-14.2 HA ALA 78 - H ARG 84 far 0 78 0 - 6.8-13.5 HB THR 15 - H ALA 28 far 0 71 0 - 8.7-23.5 Violated in 0 structures by 0.00 A. Peak 842 from nnoeabs.peaks (1.73, 8.20, 122.31 ppm; 3.66 A): 2 out of 8 assignments used, quality = 0.97: * HB2 ARG 84 + H ARG 84 OK 93 100 95 98 2.3-4.0 4.0=79, 1.8/843=49...(15) HB3 LYS 83 + H ARG 84 OK 62 98 80 79 2.1-4.3 4.3=63, 1.8/368=28, 833/4.6=20 HB3 LYS 85 - H ARG 84 far 0 100 0 - 4.7-7.4 HG3 ARG 26 - H ALA 28 far 0 61 0 - 5.6-6.6 HB2 LEU 29 - H ALA 28 far 0 81 0 - 5.9-6.0 HB3 LEU 64 - H ALA 28 far 0 45 0 - 7.6-8.2 HB3 ARG 17 - H ALA 28 far 0 71 0 - 8.0-15.9 HG3 ARG 71 - H ALA 28 far 0 54 0 - 9.3-13.2 Violated in 0 structures by 0.00 A. Peak 843 from nnoeabs.peaks (1.80, 8.20, 122.31 ppm; 3.80 A): 2 out of 5 assignments used, quality = 0.99: * HB3 ARG 84 + H ARG 84 OK 99 100 100 99 2.6-3.9 4.0=88, 1.8/842=47...(13) HB2 LYS 83 + H ARG 84 OK 43 81 65 82 2.5-4.5 4.3=70, 1.8/369=32, 832/4.6=14 HB2 LYS 85 - H ARG 84 far 0 100 0 - 4.1-7.6 HB2 LYS 32 - H ALA 28 far 0 45 0 - 9.5-9.7 HB3 LYS 32 - H ALA 28 far 0 45 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 844 from nnoeabs.peaks (1.59, 8.20, 122.31 ppm; 4.12 A): 2 out of 9 assignments used, quality = 0.99: HG3 ARG 84 + H ARG 84 OK 93 100 95 98 2.1-4.7 5.0=55, 3.0/843=46...(17) * HG2 ARG 84 + H ARG 84 OK 89 100 90 99 2.0-4.6 5.0=55, 3.0/843=46...(18) HB2 LEU 86 - H ARG 84 far 4 81 5 - 4.0-10.7 HG2 ARG 26 - H ALA 28 far 0 48 0 - 4.7-7.0 HB3 LEU 29 - H ALA 28 far 0 77 0 - 5.4-5.5 HG LEU 86 - H ARG 84 far 0 100 0 - 6.2-10.9 HG3 ARG 17 - H ALA 28 far 0 52 0 - 8.3-18.2 HG2 ARG 71 - H ALA 28 far 0 52 0 - 9.2-13.4 HG2 ARG 17 - H ALA 28 far 0 54 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. Peak 845 from nnoeabs.peaks (1.59, 8.20, 122.31 ppm; 4.12 A): 2 out of 9 assignments used, quality = 0.99: * HG3 ARG 84 + H ARG 84 OK 93 100 95 98 2.1-4.7 5.0=55, 3.0/843=46...(17) HG2 ARG 84 + H ARG 84 OK 89 100 90 99 2.0-4.6 5.0=55, 3.0/843=46...(18) HB2 LEU 86 - H ARG 84 far 4 81 5 - 4.0-10.7 HG2 ARG 26 - H ALA 28 far 0 48 0 - 4.7-7.0 HB3 LEU 29 - H ALA 28 far 0 77 0 - 5.4-5.5 HG LEU 86 - H ARG 84 far 0 100 0 - 6.2-10.9 HG3 ARG 17 - H ALA 28 far 0 52 0 - 8.3-18.2 HG2 ARG 71 - H ALA 28 far 0 52 0 - 9.2-13.4 HG2 ARG 17 - H ALA 28 far 0 54 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * HA LYS 85 + H LYS 85 OK 100 100 100 100 2.3-2.9 2.9=100 HA LYS 75 + H LYS 75 OK 44 44 100 100 2.8-2.9 3.0=100 HA LYS 83 - H LYS 85 far 5 93 5 - 3.5-6.5 HA ALA 77 - H LYS 75 far 0 53 0 - 5.9-6.8 HA ALA 78 - H LYS 75 far 0 34 0 - 7.0-10.5 HA ALA 78 - H LYS 85 far 0 76 0 - 7.4-16.7 HA ALA 77 - H LYS 85 far 0 100 0 - 9.6-18.2 Violated in 0 structures by 0.00 A. Peak 850 from nnoeabs.peaks (1.80, 8.11, 122.06 ppm; 3.79 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 85 + H LYS 85 OK 96 100 100 96 2.2-3.8 4.0=82, 1.8/851=43...(7) HB3 ARG 84 + H LYS 85 OK 90 100 95 94 2.3-4.2 3.0/377=62, 4.6=55...(8) HB3 LYS 75 + H LYS 75 OK 43 44 100 96 2.2-3.0 4.0=85, 3977/4.6=33...(13) HB3 LYS 73 - H LYS 75 far 0 31 0 - 4.7-5.4 HB2 LYS 73 - H LYS 75 far 0 38 0 - 4.9-5.5 HB2 LYS 83 - H LYS 85 far 0 81 0 - 5.4-7.7 HB2 ARG 69 - H LYS 75 far 0 54 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 851 from nnoeabs.peaks (1.72, 8.11, 122.06 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.98: * HB3 LYS 85 + H LYS 85 OK 94 100 100 94 2.2-4.0 4.0=80, 387/4.7=33...(7) HB2 ARG 84 + H LYS 85 OK 70 100 75 93 2.2-4.5 3.0/377=61, 4.6=53...(8) HB3 LYS 83 - H LYS 85 far 5 100 5 - 4.0-7.7 HG3 ARG 71 - H LYS 75 far 0 26 0 - 5.7-8.4 HB2 ARG 82 - H LYS 85 far 0 63 0 - 6.6-10.3 HG2 ARG 70 - H LYS 75 far 0 46 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. Peak 852 from nnoeabs.peaks (1.38, 8.11, 122.06 ppm; 4.71 A): 4 out of 11 assignments used, quality = 1.00: * HG2 LYS 85 + H LYS 85 OK 99 100 100 99 2.0-4.9 4.8=92, 2.9/851=47...(5) QB ALA 77 + H LYS 75 OK 48 54 95 93 4.0-5.5 6040/3.6=78, 5058/4.6=29...(7) HG3 LYS 75 + H LYS 75 OK 47 48 100 100 2.0-4.7 4.8=94, 3070/3.0=36...(16) HG2 LYS 75 + H LYS 75 OK 47 48 100 100 3.1-4.6 4.8=94, 3070/3.0=48...(18) HG2 LYS 83 - H LYS 85 far 5 98 5 - 4.9-8.4 QB ALA 78 - H LYS 75 far 2 49 5 - 4.7-8.7 HG3 LYS 73 - H LYS 75 far 0 49 0 - 5.3-6.8 QB ALA 78 - H LYS 85 far 0 97 0 - 5.6-15.5 HG3 ARG 69 - H LYS 75 far 0 54 0 - 8.1-11.1 QB ALA 77 - H LYS 85 far 0 100 0 - 8.6-15.7 HB3 ARG 69 - H LYS 75 far 0 42 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 853 from nnoeabs.peaks (1.45, 8.11, 122.06 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 85 + H LYS 85 OK 100 100 100 100 2.3-4.6 4.8=100 HG2 LYS 73 - H LYS 75 far 0 31 0 - 5.8-7.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 86 + H LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 87 - H LEU 86 far 0 93 0 - 4.6-5.5 HA THR 88 - H LEU 86 far 0 78 0 - 6.4-9.0 Violated in 0 structures by 0.00 A. Peak 860 from nnoeabs.peaks (1.61, 8.27, 123.92 ppm; 3.70 A increased from 3.28 A): 1 out of 4 assignments used, quality = 0.96: * HB2 LEU 86 + H LEU 86 OK 96 100 100 96 2.3-3.9 4.0=80, 3.0/5894=34...(11) HG LEU 86 - H LEU 86 poor 18 90 20 - 2.5-4.9 HG3 ARG 84 - H LEU 86 far 4 81 5 - 2.1-8.9 HG2 ARG 84 - H LEU 86 far 4 81 5 - 3.8-8.7 Violated in 2 structures by 0.02 A. Peak 861 from nnoeabs.peaks (1.56, 8.27, 123.92 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.93: * HB3 LEU 86 + H LEU 86 OK 93 100 100 93 2.2-3.1 4.0=61, 3.0/5894=27...(13) Violated in 0 structures by 0.00 A. Peak 862 from nnoeabs.peaks (1.60, 8.27, 123.92 ppm; 3.75 A increased from 3.16 A): 1 out of 4 assignments used, quality = 0.87: HB2 LEU 86 + H LEU 86 OK 87 90 100 97 2.3-3.9 4.0=84, 3.0/5894=35...(11) ! HG LEU 86 - H LEU 86 poor 18 100 20 88 2.5-4.9 5894=40, 3537/4.0=35...(6) HG3 ARG 84 - H LEU 86 far 5 100 5 - 2.1-8.9 HG2 ARG 84 - H LEU 86 far 5 100 5 - 3.8-8.7 Violated in 2 structures by 0.02 A. 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 2 assignments used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 86 + H GLU 87 OK 66 93 90 79 2.1-3.6 3.6=60, 3.0/397=29...(5) Violated in 0 structures by 0.00 A. Peak 867 from nnoeabs.peaks (2.03, 8.42, 121.83 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 87 + H GLU 87 OK 100 100 100 100 2.3-3.8 4.0=100 HB VAL 90 - H GLU 87 far 0 95 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 868 from nnoeabs.peaks (1.91, 8.42, 121.83 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.86: * HB3 GLU 87 + H GLU 87 OK 86 100 100 86 2.5-3.7 4.0=75, 3.0/869=20...(4) Violated in 0 structures by 0.00 A. Peak 869 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 87 + H GLU 87 OK 99 100 100 99 2.7-4.8 4.8=93, 3.0/868=83...(4) * HG2 GLU 87 + H GLU 87 OK 94 100 95 99 2.1-5.2 4.8=93, 3.0/868=83...(5) Violated in 0 structures by 0.00 A. Peak 870 from nnoeabs.peaks (2.21, 8.42, 121.83 ppm; 4.79 A increased from 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 87 + H GLU 87 OK 100 100 100 100 2.7-4.8 4.8=97, 3.0/868=84...(4) HG2 GLU 87 + H GLU 87 OK 95 100 95 100 2.1-5.2 4.8=97, 3.0/868=84...(5) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA THR 88 + H THR 88 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 86 - H THR 88 far 4 78 5 - 3.5-6.5 Violated in 0 structures by 0.00 A. Peak 873 from nnoeabs.peaks (4.12, 8.13, 115.78 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 88 + H THR 88 OK 100 100 100 100 2.5-3.8 3.9=100 HA GLN 91 - H THR 88 far 0 93 0 - 7.5-12.2 Violated in 0 structures by 0.00 A. Peak 874 from nnoeabs.peaks (1.15, 8.13, 115.78 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 88 + H THR 88 OK 100 100 100 100 1.9-4.0 4.0=100 HG12 ILE 89 - H THR 88 far 5 100 5 - 4.3-7.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ILE 89 + H ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 HB THR 15 - H ILE 89 far 0 100 0 - 8.1-73.5 Violated in 0 structures by 0.00 A. Peak 877 from nnoeabs.peaks (1.82, 8.17, 124.35 ppm; 3.73 A increased from 3.51 A): 1 out of 2 assignments used, quality = 0.96: * HB ILE 89 + H ILE 89 OK 96 100 100 96 2.5-3.8 4.0=84, 2.9/5269=50...(5) HB2 LYS 85 - H ILE 89 far 0 81 0 - 8.7-14.6 Violated in 2 structures by 0.00 A. Peak 879 from nnoeabs.peaks (1.14, 8.17, 124.35 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.99: * HG12 ILE 89 + H ILE 89 OK 91 100 95 96 2.0-4.2 1.8/5269=65, 2.9/877=59...(5) QG2 THR 88 + H ILE 89 OK 89 100 90 99 2.1-4.1 3.9=91, 3.2/408=66...(5) Violated in 0 structures by 0.00 A. Peak 882 from nnoeabs.peaks (8.27, 8.27, 125.92 ppm; diagonal): 2 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; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 90 + H VAL 90 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 884 from nnoeabs.peaks (2.02, 8.27, 125.92 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HB VAL 90 + H VAL 90 OK 100 100 100 100 2.5-3.9 3.9=100 HB3 MET 11 + H ALA 12 OK 45 48 95 99 2.0-4.6 4.1=99 HB3 GLN 91 - H VAL 90 far 0 78 0 - 5.1-7.4 HB2 GLU 87 - H VAL 90 far 0 95 0 - 7.2-10.2 HG2 PRO 44 - H VAL 90 far 0 60 0 - 9.8-45.7 Violated in 0 structures by 0.00 A. Peak 885 from nnoeabs.peaks (0.90, 8.27, 125.92 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 90 + H VAL 90 OK 100 100 100 100 1.9-3.9 4.0=100 QG2 VAL 90 + H VAL 90 OK 100 100 100 100 2.0-3.9 4.0=100 QD1 LEU 86 - H VAL 90 far 0 96 0 - 6.4-11.7 QD1 LEU 29 - H ALA 12 far 0 38 0 - 9.2-26.7 QG2 VAL 90 - H ALA 12 far 0 54 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. Peak 886 from nnoeabs.peaks (0.90, 8.27, 125.92 ppm; 4.23 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 90 + H VAL 90 OK 100 100 100 100 2.0-3.9 4.0=100 QG1 VAL 90 + H VAL 90 OK 100 100 100 100 1.9-3.9 4.0=100 QD1 LEU 86 - H VAL 90 far 0 97 0 - 6.4-11.7 QD1 LEU 29 - H ALA 12 far 0 40 0 - 9.2-26.7 QG2 VAL 90 - H ALA 12 far 0 54 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 91 + H GLN 91 OK 100 100 100 100 2.3-3.8 3.6=100 HB3 GLU 87 - H GLN 91 far 0 97 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 890 from nnoeabs.peaks (2.04, 8.03, 129.89 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 91 + H GLN 91 OK 100 100 100 100 2.4-3.8 3.6=100 HB VAL 90 + H GLN 91 OK 78 78 100 100 2.2-4.5 4.4=100 HG2 PRO 44 - H GLN 91 far 0 99 0 - 9.2-48.0 HB2 GLU 87 - H GLN 91 far 0 98 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 903 from nnoeabs.peaks (8.20, 8.34, 120.23 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.99: * H GLU 25 + H ASP 24 OK 99 100 100 99 2.4-2.8 50=86, 53/518=56...(7) H SER 22 - H ASP 24 far 10 97 10 - 4.4-5.7 H ARG 27 - H ASP 24 far 0 76 0 - 4.8-5.5 H ALA 28 - H ASP 24 far 0 96 0 - 6.5-7.0 Violated in 0 structures by 0.00 A. Peak 904 from nnoeabs.peaks (8.13, 8.20, 121.35 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.97: * H ARG 26 + H GLU 25 OK 97 100 100 97 2.7-3.0 4.6=58, 4.7/522=43...(9) Violated in 0 structures by 0.00 A. Peak 907 from nnoeabs.peaks (7.95, 8.21, 122.47 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + H ALA 28 OK 100 100 100 100 2.7-2.7 76=100, 78/2.9=60...(7) H LYS 32 - H ALA 28 far 0 97 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 908 from nnoeabs.peaks (7.98, 7.95, 119.22 ppm; 2.84 A increased from 2.53 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + H LEU 29 OK 100 100 100 100 2.7-2.8 79=96, 83/548=30...(13) Violated in 0 structures by 0.00 A. Peak 909 from nnoeabs.peaks (7.71, 7.98, 123.05 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H MET 31 + H ALA 30 OK 100 100 100 100 2.5-2.7 86=100, 3.6/553=56...(8) Violated in 0 structures by 0.00 A. Peak 910 from nnoeabs.peaks (7.94, 7.71, 115.23 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 32 + H MET 31 OK 99 100 100 99 2.3-2.5 89=79, 90/3.0=49...(15) H LEU 29 - H MET 31 far 0 97 0 - 4.2-4.5 Violated in 0 structures by 0.00 A. Peak 912 from nnoeabs.peaks (8.70, 8.81, 115.67 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + H THR 37 OK 100 100 100 100 2.5-2.8 119=100, 4290/112=46...(8) Violated in 0 structures by 0.00 A. Peak 913 from nnoeabs.peaks (7.39, 8.70, 119.49 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 39 + H ASP 38 OK 99 100 100 99 2.5-2.9 123=84, 127/4888=31...(11) Violated in 0 structures by 0.00 A. Peak 914 from nnoeabs.peaks (7.24, 7.39, 117.25 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + H LYS 39 OK 100 100 100 100 2.6-2.8 127=96, 129/593=45...(11) Violated in 0 structures by 0.00 A. Peak 915 from nnoeabs.peaks (7.63, 7.24, 115.36 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 41 + H ILE 40 OK 100 100 100 100 2.4-2.8 137=87, 139/603=46...(15) HD21 ASN 42 - H ILE 40 far 0 100 0 - 5.0-6.8 Violated in 0 structures by 0.00 A. Peak 916 from nnoeabs.peaks (7.72, 7.63, 114.41 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.98: * H ASN 42 + H VAL 41 OK 98 100 100 98 2.1-2.4 146/610=52, 144=51...(9) Violated in 0 structures by 0.00 A. Peak 917 from nnoeabs.peaks (7.52, 7.72, 113.33 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 43 + H ASN 42 OK 100 100 100 100 2.5-2.8 149=100, 3824/3.0=52...(8) HD21 ASN 80 - H ASN 42 far 0 71 0 - 7.9-14.5 Violated in 0 structures by 0.00 A. Peak 918 from nnoeabs.peaks (8.77, 8.62, 122.56 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + H VAL 45 OK 100 100 100 100 2.5-2.7 162=100, 166/630=66...(8) H PHE 48 - H VAL 45 far 0 100 0 - 4.8-4.9 Violated in 0 structures by 0.00 A. Peak 919 from nnoeabs.peaks (7.27, 8.77, 119.44 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.97: * H ASP 47 + H ASP 46 OK 97 100 100 97 2.7-2.8 170/634=50, 167=50...(11) Violated in 0 structures by 0.00 A. Peak 920 from nnoeabs.peaks (8.77, 7.27, 119.22 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + H ASP 47 OK 96 100 100 96 2.7-2.8 171=67, 174/638=30...(14) H ASP 46 + H ASP 47 OK 95 100 100 95 2.7-2.8 919=67, 634/170=38...(11) Violated in 0 structures by 0.00 A. Peak 921 from nnoeabs.peaks (8.65, 8.77, 123.38 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + H PHE 48 OK 100 100 100 100 2.6-2.9 175=100, 177/641=48...(10) H VAL 45 - H PHE 48 far 0 68 0 - 4.8-4.9 Violated in 0 structures by 0.00 A. Peak 922 from nnoeabs.peaks (7.73, 8.65, 117.58 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 50 + H ASN 49 OK 99 100 100 99 2.6-2.7 181=88, 183/647=44...(10) Violated in 0 structures by 0.00 A. Peak 923 from nnoeabs.peaks (7.53, 7.73, 120.91 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + H GLU 50 OK 100 100 100 100 2.3-2.5 187=100, 189/653=36...(15) H ARG 54 - H GLU 50 far 0 100 0 - 6.1-6.5 H LEU 43 - H GLU 50 far 0 97 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 924 from nnoeabs.peaks (7.43, 7.53, 121.73 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + H LEU 51 OK 100 100 100 100 2.7-2.9 193=100, 196/660=48...(13) Violated in 0 structures by 0.00 A. Peak 925 from nnoeabs.peaks (7.22, 7.43, 115.28 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + H LEU 52 OK 100 100 100 100 2.5-2.8 200=100, 203/667=44...(12) H ILE 40 - H LEU 52 far 0 76 0 - 9.8-10.1 Violated in 0 structures by 0.00 A. Peak 926 from nnoeabs.peaks (7.53, 7.22, 117.09 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.98: * H ARG 54 + H ALA 53 OK 98 100 100 98 2.3-2.7 207=83, 209/673=43...(12) H LEU 51 - H ALA 53 far 0 100 0 - 4.1-4.3 Violated in 0 structures by 0.00 A. Peak 927 from nnoeabs.peaks (7.69, 7.53, 116.98 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + H ARG 54 OK 100 100 100 100 2.3-2.6 210=100, 212/676=37...(12) Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (9.06, 8.15, 124.80 ppm; 4.78 A increased from 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + H LEU 57 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 930 from nnoeabs.peaks (8.51, 9.11, 120.45 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + H GLU 59 OK 100 100 100 100 2.7-2.8 4.7=100 Violated in 0 structures by 0.00 A. Peak 931 from nnoeabs.peaks (7.68, 8.51, 114.41 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: * H GLN 61 + H SER 60 OK 98 100 100 98 2.4-2.6 242=92, 4644/4.7=36...(5) Violated in 0 structures by 0.00 A. Peak 932 from nnoeabs.peaks (8.82, 7.68, 122.99 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H GLN 61 OK 100 100 100 100 2.4-2.7 246=98, 248/711=41...(14) Violated in 0 structures by 0.00 A. Peak 933 from nnoeabs.peaks (7.98, 8.82, 120.20 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 63 + H LEU 62 OK 100 100 100 100 2.8-2.9 254=98, 3907/719=50...(13) Violated in 0 structures by 0.00 A. Peak 934 from nnoeabs.peaks (7.42, 7.98, 119.93 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.97: * H LEU 64 + H ALA 63 OK 97 100 100 97 2.7-2.9 261=79, 263/726=54...(8) Violated in 0 structures by 0.00 A. Peak 935 from nnoeabs.peaks (8.38, 7.42, 119.17 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + H LEU 64 OK 100 100 100 100 2.4-2.7 264=100, 266/729=53...(13) Violated in 0 structures by 0.00 A. Peak 936 from nnoeabs.peaks (8.59, 8.38, 117.58 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + H VAL 65 OK 100 100 100 100 2.6-2.7 271=100, 273/736=50...(10) Violated in 0 structures by 0.00 A. Peak 937 from nnoeabs.peaks (7.93, 8.59, 117.85 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 67 + H ARG 66 OK 100 100 100 100 2.4-2.4 276=86, 278/741=35...(18) H ARG 70 - H ARG 66 far 0 78 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 938 from nnoeabs.peaks (8.44, 7.93, 121.56 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + H ASP 67 OK 100 100 100 100 2.4-2.6 284=100, 286/749=50...(14) Violated in 0 structures by 0.00 A. Peak 939 from nnoeabs.peaks (7.98, 8.44, 120.04 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 69 + H ILE 68 OK 100 100 100 100 2.5-2.8 288=94, 290/2749=44...(13) H GLY 72 - H ILE 68 far 0 99 0 - 5.1-6.3 H LYS 73 - H ILE 68 far 0 93 0 - 7.3-8.4 H ALA 63 - H ILE 68 far 0 100 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 940 from nnoeabs.peaks (7.95, 7.98, 119.32 ppm; 2.88 A increased from 2.71 A): 1 out of 4 assignments used, quality = 0.90: * H ARG 70 + H ARG 69 OK 90 100 100 90 2.5-2.9 297/760=31, 298/761=28...(14) H ASP 67 - H ARG 69 far 0 78 0 - 3.8-4.1 H ALA 63 - H ARG 69 far 0 71 0 - 9.6-9.9 H VAL 76 - H ARG 69 far 0 99 0 - 10.0-11.6 Violated in 1 structures by 0.00 A. Peak 942 from nnoeabs.peaks (7.99, 8.11, 117.98 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 72 + H ARG 71 OK 100 100 100 100 2.3-3.0 5397=99, 4.4/776=36...(14) H ARG 69 - H ARG 71 far 5 99 5 - 3.6-4.4 H LYS 73 - H ARG 71 far 0 99 0 - 3.7-4.5 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 0.98: * H ASN 74 + H LYS 73 OK 98 100 100 98 2.3-2.8 4.5=81, 324/787=63...(6) H ALA 78 - H LYS 73 far 0 100 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 4064 from nnoeabs.peaks (3.96, 7.46, 111.22 ppm; 5.80 A increased from 4.88 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 61 + HE21 GLN 61 OK 100 100 100 100 4.3-5.8 5.7=100 HA LYS 32 + HE21 GLN 61 OK 91 96 95 100 5.1-6.4 3.0/4667=93, ~4670=75...(7) HA ALA 28 - HE21 GLN 61 far 0 99 0 - 6.6-8.6 Violated in 0 structures by 0.00 A. Peak 4065 from nnoeabs.peaks (2.53, 7.46, 111.22 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.7-4.4 4.6=100 HG3 MET 31 - HE21 GLN 61 far 0 100 0 - 6.0-7.9 Violated in 0 structures by 0.00 A. Peak 4067 from nnoeabs.peaks (2.60, 7.46, 111.22 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HE21 GLN 61 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 MET 31 - HE21 GLN 61 far 0 73 0 - 5.4-7.7 Violated in 0 structures by 0.00 A. Peak 4068 from nnoeabs.peaks (2.16, 7.46, 111.22 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 QE TYR 55 - HE21 GLN 61 far 0 90 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 4072 from nnoeabs.peaks (3.96, 6.83, 111.22 ppm; 5.98 A increased from 5.04 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 61 + HE22 GLN 61 OK 100 100 100 100 4.2-5.9 5.7=100 HA LYS 32 + HE22 GLN 61 OK 91 96 95 100 4.9-6.5 3.0/4670=96, ~4667=77...(6) HA ALA 28 - HE22 GLN 61 far 10 99 10 - 6.2-8.7 HA THR 37 - HE22 GLN 61 far 0 60 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 4073 from nnoeabs.peaks (2.53, 6.83, 111.22 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.2-4.3 4.6=100 HG3 MET 31 - HE22 GLN 61 far 0 100 0 - 5.8-8.4 Violated in 0 structures by 0.00 A. Peak 4074 from nnoeabs.peaks (1.66, 6.83, 111.22 ppm; 5.22 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.2-4.1 4.6=100 HD3 LYS 13 - HE22 GLN 61 far 0 99 0 - 6.0-29.5 HB3 LYS 13 - HE22 GLN 61 far 0 78 0 - 7.3-28.6 HD2 LYS 13 - HE22 GLN 61 far 0 99 0 - 7.5-28.5 HG LEU 29 - HE22 GLN 61 far 0 92 0 - 9.8-12.1 HG2 ARG 27 - HE22 GLN 61 far 0 63 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 4075 from nnoeabs.peaks (2.60, 6.83, 111.22 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 MET 31 - HE22 GLN 61 far 0 73 0 - 5.4-7.7 Violated in 0 structures by 0.00 A. Peak 4076 from nnoeabs.peaks (2.16, 6.83, 111.22 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HE22 GLN 61 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 4077 from nnoeabs.peaks (7.46, 6.83, 111.22 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 0.99: HB2 GLU 25 + H SER 22 OK 94 97 100 98 1.9-2.8 4153/2.9=61, 4154/3.9=43...(10) HB3 GLU 25 + H SER 22 OK 90 97 100 92 3.0-4.0 ~4153=48, 3.0/1346=32...(9) HB3 GLU 19 - H SER 22 far 3 68 5 - 4.0-10.4 Violated in 0 structures by 0.00 A. Peak 4156 from nnoeabs.peaks (4.01, 8.34, 120.23 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.98: HB2 SER 22 + H ASP 24 OK 98 100 100 98 2.6-4.9 3.0/5501=67, 1.8/5320=63...(6) Violated in 0 structures by 0.00 A. Peak 4169 from nnoeabs.peaks (4.49, 8.13, 119.29 ppm; 5.05 A increased from 4.76 A): 1 out of 3 assignments used, quality = 0.96: HA ASP 24 + H ARG 26 OK 96 100 100 96 3.8-5.0 3.6/904=79, 5383/5380=77...(4) HA ASP 67 - H ASN 74 far 0 54 0 - 8.0-8.8 HA TYR 81 - H ASN 74 far 0 31 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 4171 from nnoeabs.peaks (0.83, 8.21, 122.47 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 64 + H ALA 28 OK 95 96 100 99 3.9-4.4 4173/3.0=69, 5162/2.9=64...(14) QD2 LEU 29 + H ALA 28 OK 89 96 100 93 3.5-3.8 550/76=52, 4839/2.9=51...(9) QD2 LEU 86 - H ARG 84 far 9 86 10 - 3.6-8.5 QG2 ILE 68 - H ALA 28 far 0 73 0 - 5.7-6.7 Violated in 0 structures by 0.00 A. Peak 4184 from nnoeabs.peaks (4.09, 7.95, 119.22 ppm; 3.93 A increased from 3.70 A): 1 out of 3 assignments used, quality = 0.71: HA ARG 26 + H LEU 29 OK 71 83 100 86 3.6-3.7 5348/1483=39...(7) HA GLU 25 - H LEU 29 far 0 100 0 - 4.4-4.6 HA ARG 27 - H LEU 29 far 0 65 0 - 5.2-5.2 Violated in 0 structures by 0.00 A. Peak 4192 from nnoeabs.peaks (0.85, 7.71, 115.23 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 64 + H MET 31 OK 100 100 100 100 3.6-4.1 6121/556=76...(15) QD2 LEU 29 - H MET 31 far 0 100 0 - 5.7-5.9 QD1 LEU 62 - H MET 31 far 0 65 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4193 from nnoeabs.peaks (3.96, 7.71, 115.23 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: HA ALA 28 + H MET 31 OK 100 100 100 100 3.4-3.6 2.1/5086=61, 4182=60...(12) HA LYS 32 - H MET 31 far 8 83 10 - 4.5-4.8 HA GLN 61 - H MET 31 far 0 99 0 - 6.1-6.9 HA THR 37 - H MET 31 far 0 81 0 - 9.3-9.9 HA3 GLY 18 - H MET 31 far 0 63 0 - 9.3-18.6 HA2 GLY 18 - H MET 31 far 0 60 0 - 9.8-19.3 Violated in 0 structures by 0.00 A. Peak 4194 from nnoeabs.peaks (1.89, 7.98, 123.05 ppm; 5.13 A increased from 4.83 A): 1 out of 4 assignments used, quality = 0.81: HB3 ARG 26 + H ALA 30 OK 81 99 90 90 4.8-6.0 5537/553=80, 3.0/3954=40 HB2 ARG 26 - H ALA 30 far 10 99 10 - 4.8-5.9 HB3 PRO 14 - H ALA 30 far 5 100 5 - 5.4-27.9 HB2 GLU 19 - H ALA 30 far 0 76 0 - 8.6-17.9 Violated in 2 structures by 0.08 A. Peak 4205 from nnoeabs.peaks (4.15, 7.94, 118.73 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.92: HA LEU 29 + H LYS 32 OK 74 95 100 78 3.1-3.6 5526/910=40, 5179/4.6=33...(5) HA ALA 30 + H LYS 32 OK 69 96 100 72 3.7-4.0 3.6/910=60, 2.1/5541=28 HB THR 15 - H LYS 32 far 0 83 0 - 6.8-27.0 Violated in 0 structures by 0.00 A. Peak 4248 from nnoeabs.peaks (0.30, 6.31, 116.43 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 33 + H PHE 35 OK 96 100 100 96 1.8-1.9 4209=69, 3.2/4250=28...(14) Violated in 0 structures by 0.00 A. Peak 4249 from nnoeabs.peaks (1.21, 6.31, 116.43 ppm; 5.37 A increased from 4.77 A): 1 out of 6 assignments used, quality = 0.99: HG13 ILE 33 + H PHE 35 OK 99 99 100 100 5.0-5.1 3.2/4248=97, 2.1/5351=78...(7) QG2 THR 15 - H PHE 35 far 4 83 5 - 5.4-19.6 QG2 VAL 65 - H PHE 35 far 0 100 0 - 5.7-6.0 QG1 VAL 65 - H PHE 35 far 0 81 0 - 6.1-6.5 HG13 ILE 40 - H PHE 35 far 0 83 0 - 6.5-7.0 HG LEU 52 - H PHE 35 far 0 90 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 4250 from nnoeabs.peaks (3.87, 6.31, 116.43 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.88: HA ILE 33 + H PHE 35 OK 88 89 100 100 3.6-3.6 3.2/4248=82, 3.8/110=54...(11) HD2 PRO 36 - H PHE 35 far 0 100 0 - 5.0-5.0 HA LEU 51 - H PHE 35 far 0 81 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4290 from nnoeabs.peaks (4.60, 8.70, 119.49 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 36 + H ASP 38 OK 100 100 100 100 3.8-4.3 2.3/4292=85, 112/119=75...(6) Violated in 0 structures by 0.00 A. Peak 4291 from nnoeabs.peaks (2.45, 8.70, 119.49 ppm; 4.45 A increased from 4.19 A): 1 out of 1 assignment used, quality = 1.00: HB3 PRO 36 + H ASP 38 OK 100 100 100 100 4.0-4.5 1.8/4292=94, 4880=74...(6) Violated in 1 structures by 0.00 A. Peak 4292 from nnoeabs.peaks (2.12, 8.70, 119.49 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.95: HB2 PRO 36 + H ASP 38 OK 95 98 100 97 2.4-3.0 1.8/4291=52, 2.3/4290=49...(8) HG2 PRO 36 - H ASP 38 far 4 78 5 - 3.9-4.7 HG3 PRO 36 - H ASP 38 far 0 83 0 - 4.9-5.6 HB ILE 40 - H ASP 38 far 0 99 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 4294 from nnoeabs.peaks (2.11, 7.39, 117.25 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.99: HB2 PRO 36 + H LYS 39 OK 92 95 100 98 2.7-3.0 4292/913=52, 1.8/4881=40...(12) HG2 PRO 36 + H LYS 39 OK 84 87 100 97 2.6-2.9 2.3/4881=39, 2.3/4867=38...(16) HG3 PRO 36 - H LYS 39 far 9 90 10 - 4.1-4.4 HB ILE 40 - H LYS 39 far 0 96 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 4295 from nnoeabs.peaks (0.81, 7.24, 115.36 ppm; 4.65 A increased from 4.38 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + H ILE 40 OK 99 100 100 100 3.9-4.7 4298/1936=73...(8) QD1 LEU 43 + H ILE 40 OK 82 87 95 99 4.3-5.0 4296/3.0=72, 5357/3.6=55...(12) QG1 VAL 41 - H ILE 40 far 0 90 0 - 5.7-6.1 Violated in 0 structures by 0.00 A. Peak 4308 from nnoeabs.peaks (3.94, 7.24, 115.36 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + H ILE 40 OK 100 100 100 100 3.2-3.6 4266=87, 4271/603=61...(13) HA2 GLY 72 - H ILE 40 far 0 73 0 - 7.3-9.5 HA3 GLY 18 - H ILE 40 far 0 97 0 - 8.1-22.1 HA ALA 28 - H ILE 40 far 0 85 0 - 9.0-9.6 HA2 GLY 18 - H ILE 40 far 0 97 0 - 9.1-23.1 Violated in 0 structures by 0.00 A. Peak 4332 from nnoeabs.peaks (4.26, 7.63, 114.41 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.99: HA ASP 38 + H VAL 41 OK 91 92 100 100 3.3-3.7 4337/612=66, 5355/610=62...(11) HA LYS 39 + H VAL 41 OK 91 93 100 97 3.9-4.5 3.6/915=67, 3.0/5593=51...(6) HA ALA 20 - H VAL 41 far 0 100 0 - 9.0-19.6 HA ARG 17 - H VAL 41 far 0 93 0 - 9.7-23.5 Violated in 0 structures by 0.00 A. Peak 4354 from nnoeabs.peaks (4.25, 7.72, 113.33 ppm; 4.16 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 39 + H ASN 42 OK 97 100 100 97 3.0-3.6 5790=66, 4371/149=54...(7) HA ASP 38 + H ASN 42 OK 59 63 100 94 3.8-4.2 4337/148=51, 4333/146=47...(7) HB THR 37 - H ASN 42 far 0 63 0 - 7.3-8.6 HA ARG 17 - H ASN 42 far 0 65 0 - 8.5-24.6 HA ALA 20 - H ASN 42 far 0 97 0 - 9.4-20.5 Violated in 0 structures by 0.00 A. Peak 4356 from nnoeabs.peaks (4.28, 7.62, 113.85 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.94: HA ASP 38 + HD21 ASN 42 OK 89 100 90 99 3.4-5.0 4357/1.7=79...(10) HA LYS 39 + HD21 ASN 42 OK 45 71 90 70 4.0-5.0 5790/5089=30, 6082=26...(4) HA ARG 17 - HD21 ASN 42 far 0 100 0 - 7.2-25.6 HA ALA 20 - HD21 ASN 42 far 0 93 0 - 9.0-20.3 Violated in 1 structures by 0.00 A. Peak 4357 from nnoeabs.peaks (4.27, 6.94, 113.85 ppm; 4.40 A): 1 out of 6 assignments used, quality = 0.97: HA ASP 38 + HD22 ASN 42 OK 97 99 100 98 3.7-4.2 4356/1.7=51, 4887=45...(10) HA LYS 39 - HD22 ASN 42 far 0 81 0 - 4.7-5.5 HA ARG 17 - HD22 ASN 42 far 0 99 0 - 5.8-24.8 HA ALA 20 - HD22 ASN 42 far 0 97 0 - 8.6-19.1 HA GLU 19 - HD22 ASN 42 far 0 93 0 - 9.4-20.6 HA THR 15 - HD22 ASN 42 far 0 71 0 - 9.5-31.2 Violated in 0 structures by 0.00 A. Peak 4358 from nnoeabs.peaks (2.62, 7.62, 113.85 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.63: HB2 ASP 38 + HD21 ASN 42 OK 41 100 45 91 3.8-6.3 ~4357=40, 3.0/4356=39...(8) HB3 ASP 38 + HD21 ASN 42 OK 36 100 40 91 3.4-5.5 ~4357=40, 3.0/4356=39...(8) Violated in 4 structures by 0.07 A. Peak 4359 from nnoeabs.peaks (2.63, 6.94, 113.85 ppm; 5.15 A increased from 4.33 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 38 + HD22 ASN 42 OK 94 95 100 99 2.9-5.1 3.0/4357=80, 4289=46...(8) HB2 ASP 38 + HD22 ASN 42 OK 93 93 100 99 3.3-5.2 3.0/4357=80, 4358/1.7=47...(8) Violated in 0 structures by 0.00 A. Peak 4363 from nnoeabs.peaks (0.94, 7.62, 113.85 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 41 + HD21 ASN 42 OK 98 98 100 100 4.0-4.7 2.1/4364=78, 2.1/4906=74...(9) QG1 VAL 76 - HD21 ASN 42 far 4 76 5 - 4.1-8.3 QG2 VAL 76 - HD21 ASN 42 far 4 76 5 - 4.5-9.0 QD2 LEU 43 - HD21 ASN 42 far 0 100 0 - 6.4-7.0 QG2 ILE 40 - HD21 ASN 42 far 0 93 0 - 6.5-7.4 HG12 ILE 68 - HD21 ASN 42 far 0 76 0 - 9.9-12.1 Violated in 2 structures by 0.01 A. Peak 4364 from nnoeabs.peaks (0.81, 7.62, 113.85 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.96: QG1 VAL 41 + HD21 ASN 42 OK 96 96 100 100 3.3-3.7 4367/1.7=82, 2.1/4363=71...(13) QG2 ILE 68 - HD21 ASN 42 far 0 100 0 - 6.0-7.7 QD1 LEU 43 - HD21 ASN 42 far 0 78 0 - 6.8-7.5 QD1 ILE 68 - HD21 ASN 42 far 0 65 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 4365 from nnoeabs.peaks (1.91, 6.94, 113.85 ppm; 4.81 A): 1 out of 3 assignments used, quality = 0.87: HB VAL 41 + HD22 ASN 42 OK 87 87 100 100 3.3-3.9 2.1/4367=85, 2.1/4329=68...(11) HG12 ILE 40 - HD22 ASN 42 far 0 99 0 - 8.1-8.9 HB2 GLU 19 - HD22 ASN 42 far 0 100 0 - 8.9-21.8 Violated in 0 structures by 0.00 A. Peak 4366 from nnoeabs.peaks (0.92, 6.94, 113.85 ppm; 5.37 A increased from 4.77 A): 1 out of 5 assignments used, quality = 0.89: QG2 VAL 41 + HD22 ASN 42 OK 89 89 100 100 4.4-5.1 2.1/4367=95, 2.1/4365=88...(10) QG2 VAL 76 - HD22 ASN 42 far 10 100 10 - 4.7-8.5 QG1 VAL 76 - HD22 ASN 42 lone 1 100 30 5 3.7-7.8 1978/4367=3 QD2 LEU 43 - HD22 ASN 42 far 0 65 0 - 7.2-7.8 QG2 ILE 40 - HD22 ASN 42 far 0 96 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4367 from nnoeabs.peaks (0.81, 6.94, 113.85 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.89: QG1 VAL 41 + HD22 ASN 42 OK 89 89 100 100 4.1-4.3 4364/1.7=72, 2.1/4365=61...(12) QG2 ILE 68 - HD22 ASN 42 far 0 100 0 - 6.9-7.9 QD1 LEU 43 - HD22 ASN 42 far 0 89 0 - 7.7-8.2 Violated in 4 structures by 0.00 A. Peak 4371 from nnoeabs.peaks (4.24, 7.52, 120.92 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.94: HA LYS 39 + H LEU 43 OK 94 97 100 96 3.2-4.0 6081=60, 4390/623=48...(7) HB THR 37 - H LEU 43 far 0 89 0 - 8.9-10.1 Violated in 3 structures by 0.00 A. Peak 4372 from nnoeabs.peaks (3.64, 7.52, 120.92 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.97: HA ILE 40 + H LEU 43 OK 97 100 100 98 3.9-4.3 5610=58, 3.6/5631=56...(6) HA ARG 69 - H LEU 43 far 0 99 0 - 6.0-7.5 HD3 PRO 14 - H LEU 43 far 0 85 0 - 9.5-37.9 HA VAL 65 - H LEU 43 far 0 100 0 - 9.8-10.6 Violated in 1 structures by 0.00 A. Peak 4426 from nnoeabs.peaks (4.04, 7.27, 119.22 ppm; 4.89 A increased from 4.60 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + H ASP 47 OK 100 100 100 100 4.7-4.9 2.3/6063=91, 1.8/4427=90...(10) HA PHE 48 - H ASP 47 far 0 96 0 - 5.3-5.4 Violated in 2 structures by 0.00 A. Peak 4427 from nnoeabs.peaks (3.68, 7.27, 119.22 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.96: HD3 PRO 44 + H ASP 47 OK 96 96 100 100 3.5-3.8 2.3/6063=80, 3.0/4431=76...(11) HA VAL 45 - H ASP 47 far 0 97 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 4428 from nnoeabs.peaks (3.12, 7.27, 119.22 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: HB2 PHE 48 + H ASP 47 OK 99 99 100 100 4.7-4.8 641/171=85, 177/4491=64...(8) Violated in 0 structures by 0.00 A. Peak 4429 from nnoeabs.peaks (2.88, 7.27, 119.22 ppm; 5.34 A increased from 4.50 A): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 48 + H ASP 47 OK 100 100 100 100 5.3-5.4 642/171=92, 1.8/4428=89...(7) HB2 ASN 49 + H ASP 47 OK 79 81 100 99 5.2-5.3 178/4491=78, 4488/3.6=64...(5) Violated in 0 structures by 0.00 A. Peak 4431 from nnoeabs.peaks (2.09, 7.27, 119.22 ppm; 3.56 A): 1 out of 2 assignments used, quality = 0.99: HB3 PRO 44 + H ASP 47 OK 99 100 100 99 3.2-3.4 2.3/6063=56, 2.3/6064=52...(11) HB VAL 45 - H ASP 47 far 0 76 0 - 6.4-6.4 Violated in 0 structures by 0.00 A. Peak 4432 from nnoeabs.peaks (0.97, 7.27, 119.22 ppm; 4.76 A increased from 4.23 A): 2 out of 2 assignments used, quality = 0.97: QG1 VAL 45 + H ASP 47 OK 87 87 100 100 4.6-4.6 4424=80, 3837/919=74...(12) QD2 LEU 43 + H ASP 47 OK 76 76 100 100 4.4-4.9 4918=63, 4389/638=60...(12) Violated in 0 structures by 0.00 A. Peak 4438 from nnoeabs.peaks (8.63, 7.27, 119.22 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.99: H ASN 49 + H ASP 47 OK 96 96 100 100 4.2-4.5 4491=84, 175/171=72...(12) H VAL 45 + H ASP 47 OK 79 93 85 99 4.7-4.8 918/919=61, 4.2/4431=60...(8) Violated in 0 structures by 0.00 A. Peak 4451 from nnoeabs.peaks (3.69, 8.77, 123.38 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.99: HA VAL 45 + H PHE 48 OK 98 100 100 98 3.8-4.1 4406/642=54, 4455/641=52...(7) HD3 PRO 44 + H PHE 48 OK 72 73 100 98 3.6-4.0 2.3/4457=53, 4427/171=45...(10) Violated in 0 structures by 0.00 A. Peak 4452 from nnoeabs.peaks (7.72, 8.77, 123.38 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: H GLU 50 + H PHE 48 OK 100 100 100 100 4.0-4.3 5671=96, 922/175=80...(6) H ASN 42 - H PHE 48 far 0 100 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 4456 from nnoeabs.peaks (1.43, 7.27, 119.22 ppm; 5.04 A increased from 4.75 A): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 43 + H ASP 47 OK 100 100 100 100 4.5-4.8 4459/171=71, 4380/638=71...(11) Violated in 0 structures by 0.00 A. Peak 4457 from nnoeabs.peaks (2.06, 8.77, 123.38 ppm; 4.73 A): 1 out of 7 assignments used, quality = 0.94: HG2 PRO 44 + H PHE 48 OK 94 97 100 96 3.4-3.5 6063/171=52, 5134/174=48...(8) HB2 GLU 50 - H PHE 48 far 0 89 0 - 5.1-5.8 HD2 ARG 69 - H PHE 48 far 0 65 0 - 5.4-9.0 HB VAL 45 - H PHE 48 far 0 99 0 - 6.0-6.2 HD3 ARG 69 - H PHE 48 far 0 65 0 - 6.3-9.2 HB3 GLU 50 - H PHE 48 far 0 89 0 - 6.7-7.3 HB3 GLN 91 - H PHE 48 far 0 89 0 - 9.8-50.6 Violated in 0 structures by 0.00 A. Peak 4458 from nnoeabs.peaks (1.73, 8.77, 123.38 ppm; 4.91 A increased from 4.62 A): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 43 + H PHE 48 OK 100 100 100 100 3.9-4.6 4368=100, 1.8/4459=92...(16) Violated in 0 structures by 0.00 A. Peak 4459 from nnoeabs.peaks (1.44, 8.77, 123.38 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 43 + H PHE 48 OK 99 99 100 100 2.8-3.3 4369=65, 1.8/4368=64...(17) HB3 LEU 52 - H PHE 48 far 0 60 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 4460 from nnoeabs.peaks (0.94, 8.77, 123.38 ppm; 4.64 A increased from 4.36 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + H PHE 48 OK 100 100 100 100 4.1-4.4 5638=83, 2.1/4461=80...(18) QG2 ILE 40 - H PHE 48 far 0 95 0 - 6.3-6.6 QG2 VAL 41 - H PHE 48 far 0 99 0 - 8.7-9.2 QD2 LEU 62 - H PHE 48 far 0 95 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 4461 from nnoeabs.peaks (0.85, 8.77, 123.38 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 43 + H PHE 48 OK 87 87 100 100 3.9-4.2 4468/3.0=69, 2.1/4460=69...(18) Violated in 0 structures by 0.00 A. Peak 4480 from nnoeabs.peaks (2.05, 8.65, 117.58 ppm; 4.94 A increased from 4.39 A): 1 out of 6 assignments used, quality = 0.98: HB2 GLU 50 + H ASN 49 OK 98 99 100 99 4.7-4.9 654/922=91, 4439/5659=62...(4) HD2 ARG 69 - H ASN 49 far 0 89 0 - 5.6-8.6 HG2 PRO 44 - H ASN 49 far 0 100 0 - 5.7-5.8 HD3 ARG 69 - H ASN 49 far 0 89 0 - 6.1-9.1 HB3 GLU 50 - H ASN 49 far 0 99 0 - 6.1-6.3 HB VAL 45 - H ASN 49 far 0 87 0 - 6.2-6.4 Violated in 2 structures by 0.00 A. Peak 4481 from nnoeabs.peaks (1.06, 8.65, 117.58 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: QG2 VAL 45 + H ASN 49 OK 97 97 100 100 4.3-4.5 3.2/4487=83, 2.1/4482=80...(11) Violated in 0 structures by 0.00 A. Peak 4482 from nnoeabs.peaks (0.99, 8.65, 117.58 ppm; 5.22 A increased from 4.91 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 45 + H ASN 49 OK 100 100 100 100 4.9-5.0 3.2/4487=80...(8) QD1 LEU 57 - H ASN 49 far 0 100 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 4487 from nnoeabs.peaks (3.71, 8.65, 117.58 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.87: HA VAL 45 + H ASN 49 OK 87 89 100 98 3.9-4.2 4455/177=52, 3.2/4482=45...(9) Violated in 0 structures by 0.00 A. Peak 4489 from nnoeabs.peaks (4.50, 8.65, 117.58 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 46 + H ASN 49 OK 98 100 100 98 3.6-3.8 4488/647=51, 3.6/4491=42...(8) Violated in 0 structures by 0.00 A. Peak 4490 from nnoeabs.peaks (7.54, 8.65, 117.58 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.97: H LEU 51 + H ASN 49 OK 97 97 100 100 3.8-4.2 4947=91, 187/922=85...(7) H ARG 54 - H ASN 49 far 0 97 0 - 8.1-8.6 H LEU 43 - H ASN 49 far 0 81 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 4491 from nnoeabs.peaks (7.26, 8.65, 117.58 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.99: H ASP 47 + H ASN 49 OK 99 99 100 100 4.2-4.5 171/175=78, 3.6/4489=68...(12) HE ARG 54 - H ASN 49 far 0 100 0 - 8.2-11.6 Violated in 0 structures by 0.00 A. Peak 4496 from nnoeabs.peaks (4.48, 6.86, 112.13 ppm; 4.86 A increased from 4.58 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 46 + HD21 ASN 49 OK 98 99 100 100 4.4-4.6 5359/1.7=83, 4488/3.5=70...(6) HA TYR 81 - HE22 GLN 79 far 0 69 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 4497 from nnoeabs.peaks (1.06, 6.86, 112.13 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.97: QG2 VAL 45 + HD21 ASN 49 OK 97 97 100 100 2.5-2.7 4422=93, 4420/1.7=82...(9) Violated in 0 structures by 0.00 A. Peak 4498 from nnoeabs.peaks (0.98, 6.86, 112.13 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: QG1 VAL 45 + HD21 ASN 49 OK 100 100 100 100 3.9-3.9 4425=93, 4423/1.7=80...(9) Violated in 0 structures by 0.00 A. Peak 4499 from nnoeabs.peaks (1.08, 7.83, 112.13 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.99: QG2 VAL 45 + HD22 ASN 49 OK 99 99 100 100 2.9-3.3 4420=98, 4422/1.7=76...(9) Violated in 0 structures by 0.00 A. Peak 4500 from nnoeabs.peaks (0.99, 7.83, 112.13 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: QG1 VAL 45 + HD22 ASN 49 OK 100 100 100 100 3.4-3.6 4423=97, 2.1/4499=71...(9) Violated in 0 structures by 0.00 A. Peak 4501 from nnoeabs.peaks (1.36, 7.73, 120.91 ppm; 5.44 A increased from 4.83 A): 1 out of 4 assignments used, quality = 0.62: QB ALA 53 + H GLU 50 OK 62 63 100 99 5.1-5.2 4502/3.0=63, ~4549=57...(6) HB2 LEU 52 - H GLU 50 far 0 60 0 - 7.0-7.4 HG3 ARG 69 - H GLU 50 far 0 96 0 - 8.7-10.4 HB3 ARG 69 - H GLU 50 far 0 57 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 4506 from nnoeabs.peaks (4.39, 7.73, 120.91 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + H GLU 50 OK 99 100 100 99 3.3-3.5 4439/653=68, 4454=59...(8) Violated in 0 structures by 0.00 A. Peak 4507 from nnoeabs.peaks (4.49, 7.73, 120.91 ppm; 4.83 A increased from 4.55 A): 1 out of 1 assignment used, quality = 0.98: HA ASP 46 + H GLU 50 OK 98 100 100 98 4.6-4.8 4489/922=74, 4488/183=66...(4) Violated in 2 structures by 0.00 A. Peak 4508 from nnoeabs.peaks (7.24, 7.73, 120.91 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.93: H ALA 53 + H GLU 50 OK 78 78 100 100 5.0-5.2 4943/923=75, 4549/3.0=71...(10) H ASP 47 + H GLU 50 OK 68 68 100 100 4.9-5.0 3.0/4506=87, 3.6/4507=66...(7) HE ARG 54 - H GLU 50 far 0 76 0 - 5.9-9.4 Violated in 0 structures by 0.00 A. Peak 4525 from nnoeabs.peaks (4.03, 7.53, 121.73 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + H LEU 51 OK 100 100 100 100 3.1-3.4 4453=78, 4523/660=60...(10) HA ARG 54 - H LEU 51 far 0 87 0 - 6.7-7.5 HD2 PRO 44 - H LEU 51 far 0 96 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 4526 from nnoeabs.peaks (4.38, 7.53, 121.73 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + H LEU 51 OK 99 100 100 99 4.1-4.5 4506/923=77, 4439/4.7=65...(6) Violated in 0 structures by 0.00 A. Peak 4542 from nnoeabs.peaks (4.14, 7.43, 115.28 ppm; 4.15 A increased from 3.91 A): 1 out of 2 assignments used, quality = 0.99: HA ASN 49 + H LEU 52 OK 99 99 100 100 3.9-4.0 4494=92, 4485/668=57...(7) HA ALA 53 - H LEU 52 far 0 85 0 - 5.2-5.4 Violated in 0 structures by 0.00 A. Peak 4549 from nnoeabs.peaks (3.97, 7.22, 117.09 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.95: HA GLU 50 + H ALA 53 OK 95 97 100 98 3.1-3.4 4962/673=68, 4509=59...(10) Violated in 0 structures by 0.00 A. Peak 4559 from nnoeabs.peaks (7.71, 7.22, 117.09 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.85: H TYR 55 + H ALA 53 OK 85 85 100 100 3.9-4.4 4973=73, 210/926=73...(9) H GLU 50 - H ALA 53 far 0 87 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 4567 from nnoeabs.peaks (3.90, 7.53, 116.98 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.96: HA LEU 51 + H ARG 54 OK 96 97 100 99 3.2-3.4 5219/676=56...(11) HA LEU 62 - H ARG 54 far 0 83 0 - 8.6-11.1 Violated in 0 structures by 0.00 A. Peak 4580 from nnoeabs.peaks (3.70, 7.69, 117.85 ppm; 5.03 A increased from 4.03 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + H TYR 55 OK 100 100 100 100 3.9-4.9 4.8=100 HD2 PRO 56 + H TYR 55 OK 100 100 100 100 4.4-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 4581 from nnoeabs.peaks (3.80, 7.69, 117.85 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 52 + H TYR 55 OK 99 100 100 99 3.5-4.0 5143=55, 5141/210=53...(8) Violated in 0 structures by 0.00 A. Peak 4582 from nnoeabs.peaks (4.16, 7.69, 117.85 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.97: HA ALA 53 + H TYR 55 OK 97 99 100 99 4.0-4.3 3.6/210=75, 4560=68...(4) HA ASN 49 - H TYR 55 far 0 89 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 4597 from nnoeabs.peaks (0.91, 8.15, 124.80 ppm; 4.89 A increased from 4.60 A): 1 out of 3 assignments used, quality = 0.70: QD2 LEU 62 + H LEU 57 OK 70 76 95 97 4.2-5.5 2.1/5747=75, 4599/3.8=59...(5) HG LEU 51 - H LEU 57 far 0 92 0 - 7.3-8.5 QG2 ILE 40 - H LEU 57 far 0 76 0 - 9.6-11.0 Violated in 1 structures by 0.03 A. Peak 4620 from nnoeabs.peaks (7.68, 9.06, 113.20 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: H GLN 61 + H THR 58 OK 100 100 100 100 3.2-3.8 4648=95, 711/4625=69...(13) H TYR 55 - H THR 58 far 0 97 0 - 8.7-9.5 H MET 31 - H THR 58 far 0 65 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4621 from nnoeabs.peaks (8.84, 9.06, 113.20 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.95: H LEU 62 + H THR 58 OK 95 95 100 100 3.6-4.0 5368=94, 248/4625=67...(11) Violated in 0 structures by 0.00 A. Peak 4624 from nnoeabs.peaks (1.66, 9.06, 113.20 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + H THR 58 OK 100 100 100 100 3.8-4.1 1.8/4625=86, 4654=62...(11) HD3 LYS 13 - H THR 58 far 0 99 0 - 9.0-33.2 HB3 LYS 13 - H THR 58 far 0 78 0 - 9.0-32.4 HD2 LYS 13 - H THR 58 far 0 99 0 - 9.5-32.2 Violated in 1 structures by 0.00 A. Peak 4625 from nnoeabs.peaks (2.53, 9.06, 113.20 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLN 61 + H THR 58 OK 99 99 100 100 2.2-2.6 1.8/4624=62, 4653=59...(15) HG3 MET 31 - H THR 58 far 0 98 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 4640 from nnoeabs.peaks (0.87, 9.11, 120.45 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 62 + H GLU 59 OK 99 99 100 100 3.5-4.5 5365/2.9=97, ~5364=64...(9) QD2 LEU 64 - H GLU 59 far 0 78 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 4643 from nnoeabs.peaks (1.32, 8.51, 114.41 ppm; 5.50 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 58 + H SER 60 OK 99 99 100 100 4.0-4.1 2.1/5091=100...(5) HG3 LYS 32 - H SER 60 far 0 97 0 - 9.6-12.8 HB2 LEU 52 - H SER 60 far 0 89 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 4644 from nnoeabs.peaks (7.68, 9.11, 120.45 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.98: H GLN 61 + H GLU 59 OK 98 100 100 98 4.2-4.6 4658/235=71, 4648/4.6=66...(4) Violated in 0 structures by 0.00 A. Peak 4648 from nnoeabs.peaks (9.07, 7.68, 122.99 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.94: H THR 58 + H GLN 61 OK 94 95 100 100 3.2-3.8 4620=77, 4625/711=59...(13) Violated in 0 structures by 0.00 A. Peak 4649 from nnoeabs.peaks (5.47, 7.68, 122.99 ppm; 4.71 A): 0 out of 0 assignments used, quality = 0.00: Peak 4655 from nnoeabs.peaks (3.54, 6.83, 111.22 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.99: HD3 PRO 34 + HE22 GLN 61 OK 99 100 100 99 3.4-4.2 4217/5763=62, 4857=57...(10) Violated in 0 structures by 0.00 A. Peak 4656 from nnoeabs.peaks (2.00, 7.68, 122.99 ppm; 5.10 A): 1 out of 3 assignments used, quality = 0.99: QE MET 31 + H GLN 61 OK 99 99 100 100 3.0-3.7 5083=97, 5079/3.0=90...(19) HB2 LEU 64 - H GLN 61 far 0 71 0 - 5.5-6.0 HG2 ARG 66 - H GLN 61 far 0 93 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 4657 from nnoeabs.peaks (1.49, 7.68, 122.99 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 63 + H GLN 61 OK 99 100 100 99 4.6-4.9 4995/3.6=77, 726/5780=65...(7) HB3 LEU 57 + H GLN 61 OK 80 83 100 96 4.2-4.6 5235/932=72, 4.2/4648=57...(5) Violated in 0 structures by 0.00 A. Peak 4658 from nnoeabs.peaks (1.32, 7.68, 122.99 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 58 + H GLN 61 OK 100 100 100 100 4.3-4.6 4623=79, 2478/4648=64...(12) HG3 LYS 32 - H GLN 61 far 0 97 0 - 8.2-11.1 HB2 LEU 52 - H GLN 61 far 0 87 0 - 8.5-10.3 QB ALA 28 - H GLN 61 far 0 81 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4659 from nnoeabs.peaks (0.71, 7.68, 122.99 ppm; 5.46 A increased from 4.60 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H GLN 61 OK 100 100 100 100 5.0-5.4 4602/711=78, 4985/4.0=78...(12) QD1 ILE 33 + H GLN 61 OK 90 100 90 100 5.2-5.8 4503/3.0=92, 4222/4.0=85...(9) Violated in 0 structures by 0.00 A. Peak 4667 from nnoeabs.peaks (1.76, 7.46, 111.22 ppm; 4.25 A): 1 out of 9 assignments used, quality = 0.87: HB2 LYS 32 + HE21 GLN 61 OK 87 97 95 95 3.1-4.8 4670/1.7=79, 6065=33...(10) HB3 LYS 32 - HE21 GLN 61 far 14 97 15 - 4.2-5.9 HG2 PRO 34 - HE21 GLN 61 far 0 100 0 - 4.7-6.5 HB2 LEU 57 - HE21 GLN 61 far 0 100 0 - 4.8-6.5 HB ILE 33 - HE21 GLN 61 far 0 99 0 - 5.7-7.1 HB2 PRO 34 - HE21 GLN 61 far 0 89 0 - 5.8-8.0 HB2 LEU 62 - HE21 GLN 61 far 0 90 0 - 7.0-9.0 HB3 ARG 17 - HE21 GLN 61 far 0 85 0 - 9.0-21.6 HB2 LYS 13 - HE21 GLN 61 far 0 65 0 - 9.1-27.8 Violated in 1 structures by 0.03 A. Peak 4668 from nnoeabs.peaks (1.31, 7.46, 111.22 ppm; 5.80 A increased from 5.15 A): 3 out of 5 assignments used, quality = 1.00: QG2 THR 58 + HE21 GLN 61 OK 99 99 100 100 5.0-5.7 5755=99, 5230/3.5=84...(7) HG2 LYS 32 + HE21 GLN 61 OK 42 76 55 100 5.4-7.0 2.9/4667=94, ~4670=75...(9) HG3 LYS 32 + HE21 GLN 61 OK 39 78 50 100 4.6-7.7 2.9/4667=94, ~4670=75...(9) HB2 LEU 52 - HE21 GLN 61 far 0 60 0 - 8.4-10.9 QB ALA 12 - HE21 GLN 61 far 0 68 0 - 9.2-22.9 Violated in 0 structures by 0.00 A. Peak 4669 from nnoeabs.peaks (0.71, 7.46, 111.22 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HE21 GLN 61 OK 100 100 100 100 2.4-4.0 4210=81, 4213/1.7=60...(14) QD2 LEU 57 + HE21 GLN 61 OK 99 100 100 99 1.9-3.2 4615/1.7=50, 4988=44...(12) Violated in 0 structures by 0.00 A. Peak 4670 from nnoeabs.peaks (1.76, 6.83, 111.22 ppm; 4.15 A): 1 out of 8 assignments used, quality = 0.83: HB2 LYS 32 + HE22 GLN 61 OK 83 90 100 91 3.2-4.3 4667/1.7=74, 4864=21...(10) HB3 LYS 32 - HE22 GLN 61 far 5 90 5 - 4.2-5.4 HG2 PRO 34 - HE22 GLN 61 far 0 100 0 - 4.8-6.8 HB2 LEU 57 - HE22 GLN 61 far 0 98 0 - 5.2-6.8 HB ILE 33 - HE22 GLN 61 far 0 97 0 - 5.4-7.5 HB2 PRO 34 - HE22 GLN 61 far 0 78 0 - 6.2-8.1 HB2 LEU 62 - HE22 GLN 61 far 0 97 0 - 7.7-8.8 HB3 ARG 17 - HE22 GLN 61 far 0 93 0 - 9.2-22.7 Violated in 1 structures by 0.01 A. Peak 4671 from nnoeabs.peaks (1.31, 6.83, 111.22 ppm; 5.92 A increased from 4.98 A): 3 out of 6 assignments used, quality = 1.00: QG2 THR 58 + HE22 GLN 61 OK 100 100 100 100 4.9-6.2 5755/1.7=88, 5230/3.5=86...(6) HG3 LYS 32 + HE22 GLN 61 OK 50 90 55 100 4.8-7.2 2.9/4670=96, ~4667=76...(8) HG2 LYS 32 + HE22 GLN 61 OK 42 60 70 100 5.2-6.9 2.9/4670=96, ~4667=76...(8) QB ALA 28 - HE22 GLN 61 far 0 68 0 - 6.5-8.5 HB2 LEU 52 - HE22 GLN 61 far 0 76 0 - 9.1-10.7 QB ALA 12 - HE22 GLN 61 far 0 83 0 - 10.0-23.3 Violated in 0 structures by 0.00 A. Peak 4672 from nnoeabs.peaks (0.72, 6.83, 111.22 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + HE22 GLN 61 OK 98 99 100 99 2.1-3.3 4615=50, 4988/1.7=43...(16) QD1 ILE 33 + HE22 GLN 61 OK 82 97 85 100 2.1-4.3 4210/1.7=67, 4213=58...(16) Violated in 0 structures by 0.00 A. Peak 4673 from nnoeabs.peaks (0.71, 8.82, 120.20 ppm; 4.88 A increased from 4.59 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H LEU 62 OK 100 100 100 100 4.5-4.9 3.1/5235=81, 5738=65...(15) QD1 ILE 33 - H LEU 62 far 0 100 0 - 5.2-5.7 Violated in 0 structures by 0.00 A. Peak 4676 from nnoeabs.peaks (4.06, 8.82, 120.20 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.92: HA GLU 59 + H LEU 62 OK 92 93 100 98 3.6-3.9 4645=69, 4637/719=57...(6) HA ALA 63 - H LEU 62 far 0 100 0 - 5.4-5.4 Violated in 0 structures by 0.00 A. Peak 4685 from nnoeabs.peaks (1.97, 7.98, 119.93 ppm; 5.13 A increased from 4.56 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 64 + H ALA 63 OK 100 100 100 100 4.7-5.0 729/934=91, 5016=74...(7) QE MET 31 + H ALA 63 OK 87 89 100 98 4.8-5.3 5082/934=68, 5774/933=62...(5) HG LEU 57 - H ALA 63 far 0 87 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 4687 from nnoeabs.peaks (3.96, 7.42, 119.17 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.99: HA GLN 61 + H LEU 64 OK 99 100 100 99 3.3-3.6 4695/729=54, 4941=51...(10) HA ARG 66 - H LEU 64 far 0 92 0 - 6.7-7.1 HA ALA 28 - H LEU 64 far 0 100 0 - 7.9-8.5 HA THR 37 - H LEU 64 far 0 68 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4690 from nnoeabs.peaks (4.27, 7.98, 119.93 ppm; 4.28 A increased from 3.80 A): 1 out of 2 assignments used, quality = 0.98: HA SER 60 + H ALA 63 OK 98 98 100 100 3.8-4.1 4647=97, 4995/726=80...(7) HA LEU 64 - H ALA 63 far 0 98 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 4697 from nnoeabs.peaks (1.22, 7.42, 119.17 ppm; 4.49 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 65 + H LEU 64 OK 99 99 100 100 3.7-4.0 738/264=84, 2.1/4698=58...(9) QG1 VAL 65 - H LEU 64 far 0 93 0 - 5.7-6.0 HG13 ILE 33 - H LEU 64 far 0 100 0 - 7.2-7.8 HG13 ILE 40 - H LEU 64 far 0 95 0 - 9.0-9.7 HG LEU 52 - H LEU 64 far 0 76 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 4698 from nnoeabs.peaks (2.37, 7.42, 119.17 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.92: HB VAL 65 + H LEU 64 OK 92 92 100 100 4.8-5.3 2.1/4697=90, 3.8/264=85...(4) HG2 GLU 59 - H LEU 64 far 0 71 0 - 8.3-9.7 Violated in 1 structures by 0.00 A. Peak 4709 from nnoeabs.peaks (7.95, 8.38, 117.58 ppm; 4.44 A): 2 out of 5 assignments used, quality = 0.93: H ASP 67 + H VAL 65 OK 74 76 100 97 4.0-4.1 4.6/271=56, 4693/3.6=50...(10) H ALA 63 + H VAL 65 OK 73 73 100 99 4.0-4.3 3.6/4720=65, 5779=63...(6) H ARG 69 - H VAL 65 far 0 60 0 - 6.2-6.6 H ARG 70 - H VAL 65 far 0 100 0 - 8.1-8.6 H LYS 32 - H VAL 65 far 0 95 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 4720 from nnoeabs.peaks (3.94, 8.38, 117.58 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.91: HA LEU 62 + H VAL 65 OK 91 92 100 99 3.0-3.5 4674=67, 4722/738=66...(9) HA GLN 61 - H VAL 65 far 0 68 0 - 4.2-5.0 HA ALA 28 - H VAL 65 far 0 85 0 - 7.1-7.8 HA THR 37 - H VAL 65 far 0 100 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 4732 from nnoeabs.peaks (0.92, 8.59, 117.85 ppm; 5.29 A increased from 4.70 A): 1 out of 5 assignments used, quality = 0.92: QG2 ILE 40 + H ARG 66 OK 92 93 100 99 4.8-5.3 5034/4.1=81, 4705/3.6=71...(5) QD2 LEU 62 - H ARG 66 far 9 93 10 - 4.6-6.3 HG12 ILE 68 - H ARG 66 far 0 100 0 - 7.0-7.3 QG2 VAL 41 - H ARG 66 far 0 85 0 - 7.9-8.5 HG LEU 51 - H ARG 66 far 0 73 0 - 8.8-10.1 Violated in 1 structures by 0.00 A. Peak 4737 from nnoeabs.peaks (4.26, 7.93, 121.56 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 64 + H ASP 67 OK 100 100 100 100 3.2-3.4 4693=94, 4738/749=60...(11) HA SER 60 - H ASP 67 far 0 81 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 4741 from nnoeabs.peaks (0.95, 7.93, 121.56 ppm; 5.55 A increased from 4.67 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 64 + H ASP 67 OK 100 100 100 100 5.0-5.4 2648/4737=91...(9) QG2 ILE 40 + H ASP 67 OK 63 71 100 89 5.0-5.5 5616/284=52...(6) QD2 LEU 62 - H ASP 67 far 0 71 0 - 6.6-8.3 QG2 VAL 41 - H ASP 67 far 0 83 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 4747 from nnoeabs.peaks (3.63, 8.44, 120.04 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 65 + H ILE 68 OK 100 100 100 100 3.5-3.7 5313=87, 4706/757=58...(12) HA ARG 69 - H ILE 68 far 0 100 0 - 5.1-5.4 HA ILE 40 - H ILE 68 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 4792 from nnoeabs.peaks (4.47, 7.95, 118.23 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.93: HA ASP 67 + H ARG 70 OK 93 98 100 95 3.2-3.7 3.6/5826=39, 5819/940=36...(11) HA ASP 24 - H ARG 70 far 0 85 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. 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; 5.05 A): 2 out of 6 assignments used, quality = 0.99: HB3 MET 11 + H ALA 12 OK 99 99 100 100 2.0-4.6 4.1=100 HB VAL 90 + H VAL 90 OK 53 53 100 100 2.5-3.9 3.9=100 HB3 GLN 91 - H VAL 90 far 3 30 10 - 5.1-7.4 HG3 PRO 14 - H ALA 12 far 0 57 0 - 5.8-9.9 HG2 PRO 14 - H ALA 12 far 0 57 0 - 6.7-10.0 HB2 GLU 87 - H VAL 90 far 0 42 0 - 7.2-10.2 Violated in 0 structures by 0.00 A. Peak 4822 from nnoeabs.peaks (4.28, 8.40, 110.03 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 17 + H GLY 18 OK 100 100 100 100 2.2-3.6 3.6=100 HA GLU 19 - H GLY 18 far 0 81 0 - 4.3-5.7 HA ALA 20 - H GLY 18 far 0 89 0 - 5.4-8.9 HA ASP 38 - H GLY 18 far 0 100 0 - 5.9-20.3 HA LYS 39 - H GLY 18 far 0 63 0 - 8.1-22.5 Violated in 0 structures by 0.00 A. Peak 4823 from nnoeabs.peaks (3.93, 8.40, 110.03 ppm; 3.90 A): 2 out of 6 assignments used, quality = 1.00: * HA2 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 21 - H GLY 18 far 0 76 0 - 7.1-11.4 HA2 GLY 21 - H GLY 18 far 0 73 0 - 7.2-12.0 HA ALA 28 - H GLY 18 far 0 57 0 - 7.8-16.9 HA THR 37 - H GLY 18 far 0 99 0 - 8.1-19.1 Violated in 0 structures by 0.00 A. Peak 4824 from nnoeabs.peaks (3.93, 8.40, 110.03 ppm; 3.90 A): 2 out of 6 assignments used, quality = 1.00: * HA3 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 18 + H GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 21 - H GLY 18 far 0 78 0 - 7.1-11.4 HA2 GLY 21 - H GLY 18 far 0 76 0 - 7.2-12.0 HA ALA 28 - H GLY 18 far 0 60 0 - 7.8-16.9 HA THR 37 - H GLY 18 far 0 99 0 - 8.1-19.1 Violated in 0 structures by 0.00 A. 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; 5.51 A): 1 out of 2 assignments used, quality = 1.00: HB2 ARG 17 + H GLY 18 OK 100 100 100 100 2.2-4.5 4.3=100 HB2 LYS 39 - H GLY 18 far 0 93 0 - 7.8-20.7 Violated in 0 structures by 0.00 A. Peak 4827 from nnoeabs.peaks (1.75, 8.40, 110.03 ppm; 6.50 A): 1 out of 7 assignments used, quality = 0.98: HB3 ARG 17 + H GLY 18 OK 98 98 100 100 2.2-4.5 4.3=100 HB ILE 33 - H GLY 18 far 5 90 5 - 5.2-17.1 HB2 PRO 34 - H GLY 18 far 3 65 5 - 6.1-20.6 HG2 PRO 34 - H GLY 18 far 0 99 0 - 7.9-21.4 HG3 ARG 26 - H GLY 18 far 0 100 0 - 8.4-15.1 HB3 LYS 32 - H GLY 18 far 0 81 0 - 8.8-19.3 HB2 LYS 32 - H GLY 18 far 0 81 0 - 9.5-20.0 Violated in 0 structures by 0.00 A. Peak 4828 from nnoeabs.peaks (1.63, 8.40, 110.03 ppm; 6.35 A): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 17 + H GLY 18 OK 96 96 100 100 2.6-5.7 5.0=100 HG2 ARG 17 + H GLY 18 OK 95 95 100 100 2.6-5.0 5.0=100 HG2 ARG 26 - H GLY 18 far 0 97 0 - 6.7-16.0 Violated in 0 structures by 0.00 A. Peak 4833 from nnoeabs.peaks (1.88, 8.20, 121.35 ppm; 5.48 A increased from 4.62 A): 2 out of 7 assignments used, quality = 0.93: HB2 ARG 26 + H GLU 25 OK 84 100 90 93 4.7-6.5 527/904=92, 3.0/3757=9 HB2 ARG 27 + H GLU 25 OK 54 71 100 77 4.5-5.7 4157/3.6=57, 5506/53=24...(4) HB3 ARG 26 - H GLU 25 far 10 100 10 - 5.3-6.5 HB3 ARG 27 - H GLU 25 far 7 73 10 - 5.6-7.2 HB3 ARG 71 - H GLU 25 far 0 73 0 - 8.1-11.9 HB2 ARG 71 - H GLU 25 far 0 71 0 - 8.4-11.2 HB ILE 68 - H GLU 25 far 0 85 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 4841 from nnoeabs.peaks (3.97, 7.98, 123.05 ppm; 5.01 A): 1 out of 5 assignments used, quality = 0.96: HA ALA 28 + H ALA 30 OK 96 97 100 100 4.1-4.3 3.6/908=91, 2.1/5535=82...(4) HA LYS 32 - H ALA 30 far 15 99 15 - 5.3-5.5 HA GLN 61 - H ALA 30 far 0 100 0 - 8.7-9.4 HA2 GLY 21 - H ALA 30 far 0 89 0 - 9.6-13.5 HA3 GLY 21 - H ALA 30 far 0 87 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 4888 from nnoeabs.peaks (7.25, 8.70, 119.49 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.97: H ILE 40 + H ASP 38 OK 97 97 100 100 4.0-4.3 127/913=75, 4308/3.6=69...(6) Violated in 0 structures by 0.00 A. Peak 4905 from nnoeabs.peaks (3.94, 7.63, 114.41 ppm; 5.21 A increased from 4.90 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + H VAL 41 OK 100 100 100 100 4.8-5.1 4271/139=84, 5588=82...(11) HA2 GLY 72 - H VAL 41 far 11 73 15 - 5.3-7.1 HA3 GLY 18 - H VAL 41 far 0 97 0 - 7.7-23.5 HA2 GLY 18 - H VAL 41 far 0 97 0 - 8.2-24.4 HA VAL 76 - H VAL 41 far 0 60 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4906 from nnoeabs.peaks (1.94, 7.62, 113.85 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 41 + HD21 ASN 42 OK 99 99 100 100 2.5-3.2 2.1/4364=78, 2.1/4363=75...(12) HB2 GLU 19 - HD21 ASN 42 far 0 65 0 - 9.7-22.5 Violated in 0 structures by 0.00 A. Peak 4933 from nnoeabs.peaks (0.83, 7.27, 119.22 ppm; 5.57 A increased from 4.96 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 43 + H ASP 47 OK 100 100 100 100 5.3-5.5 4449/638=89, 2.1/4918=87...(11) QG2 ILE 89 - H ASP 47 far 0 96 0 - 7.9-38.4 QD1 ILE 89 - H ASP 47 far 0 85 0 - 8.1-39.1 Violated in 0 structures by 0.00 A. Peak 4943 from nnoeabs.peaks (7.24, 7.53, 121.73 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.90: H ALA 53 + H LEU 51 OK 90 90 100 99 4.1-4.3 200/193=71, 4549/3.6=60...(10) HE ARG 54 - H LEU 51 far 0 60 0 - 4.7-7.9 H ILE 40 - H LEU 51 far 0 99 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 4947 from nnoeabs.peaks (8.66, 7.53, 121.73 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.93: H ASN 49 + H LEU 51 OK 93 93 100 100 3.8-4.2 4490=79, 922/923=77...(7) Violated in 0 structures by 0.00 A. Peak 4963 from nnoeabs.peaks (1.78, 7.22, 117.09 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.94: HB2 ARG 54 + H ALA 53 OK 94 95 100 100 4.2-4.6 2307/926=84, 5307=63...(8) HB2 LEU 57 - H ALA 53 far 0 96 0 - 6.7-8.5 HG2 PRO 34 - H ALA 53 far 0 85 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4964 from nnoeabs.peaks (1.60, 7.22, 117.09 ppm; 5.02 A increased from 4.46 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 51 + H ALA 53 OK 99 100 100 99 4.9-5.1 196/200=88, 660/4943=68...(6) HG3 ARG 54 - H ALA 53 far 3 63 5 - 4.0-6.5 HB3 LEU 62 - H ALA 53 far 0 90 0 - 7.9-9.9 Violated in 2 structures by 0.01 A. Peak 4965 from nnoeabs.peaks (2.81, 7.53, 116.98 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.96: HB2 TYR 55 + H ARG 54 OK 96 97 100 100 4.8-5.2 2.5/5703=90, 3.8/210=89...(5) Violated in 0 structures by 0.00 A. Peak 4966 from nnoeabs.peaks (3.82, 7.53, 116.98 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.84: HA LEU 52 + H ARG 54 OK 84 85 100 99 3.8-4.5 3.6/926=79, 5141=79...(7) Violated in 1 structures by 0.00 A. Peak 4973 from nnoeabs.peaks (7.22, 7.69, 117.85 ppm; 4.61 A increased from 4.34 A): 1 out of 1 assignment used, quality = 1.00: H ALA 53 + H TYR 55 OK 100 100 100 100 3.9-4.4 926/210=90, 4559=85...(9) Violated in 0 structures by 0.00 A. Peak 4974 from nnoeabs.peaks (6.95, 7.69, 117.85 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 35 + H TYR 55 OK 100 100 100 100 4.3-5.1 4628/687=81, 4572/684=74...(8) HZ PHE 35 - H TYR 55 far 0 100 0 - 6.1-6.9 Violated in 1 structures by 0.01 A. Peak 5018 from nnoeabs.peaks (8.59, 7.42, 119.17 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + H LEU 64 OK 100 100 100 100 3.9-4.2 5801=97, 271/264=88...(7) Violated in 0 structures by 0.00 A. Peak 5036 from nnoeabs.peaks (4.08, 8.59, 117.85 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.80: HA ALA 63 + H ARG 66 OK 80 81 100 100 3.4-3.8 4691=62, 3.6/5801=51...(12) Violated in 0 structures by 0.00 A. Peak 5037 from nnoeabs.peaks (4.25, 8.59, 117.85 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 64 + H ARG 66 OK 99 99 100 100 3.9-4.2 3.6/271=89, 5789=83...(8) HA SER 60 - H ARG 66 far 0 73 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 5046 from nnoeabs.peaks (1.24, 8.44, 120.04 ppm; 5.06 A increased from 4.76 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 65 + H ILE 68 OK 100 100 100 100 4.7-5.0 3.2/4747=83...(9) QG2 VAL 65 + H ILE 68 OK 35 71 50 98 5.3-5.4 3.2/4747=83, 4.1/5812=61...(9) HG13 ILE 40 - H ILE 68 far 0 99 0 - 6.5-7.1 HG2 ARG 69 - H ILE 68 far 0 100 0 - 6.7-7.3 HG13 ILE 33 - H ILE 68 far 0 87 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 5055 from nnoeabs.peaks (0.94, 7.99, 106.73 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 41 + H GLY 72 OK 100 100 100 100 2.2-3.6 4335/3.0=65, 4336/3.0=65...(18) QG2 ILE 40 - H GLY 72 far 0 99 0 - 5.2-5.6 HG12 ILE 68 - H GLY 72 far 0 92 0 - 5.5-6.9 QG2 VAL 76 - H GLY 72 far 0 92 0 - 5.5-9.3 QG1 VAL 76 - H GLY 72 far 0 92 0 - 6.0-7.3 QD1 LEU 64 - H GLY 72 far 0 85 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 5056 from nnoeabs.peaks (0.80, 7.99, 106.73 ppm; 4.31 A increased from 4.06 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 68 + H GLY 72 OK 96 100 100 96 3.3-4.4 4751/15492=51...(11) QG1 VAL 41 + H GLY 72 OK 83 98 85 100 3.5-4.7 2.1/5055=77, 4339/3.0=65...(17) QD1 ILE 68 - H GLY 72 far 0 73 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 5065 from nnoeabs.peaks (3.03, 8.05, 120.90 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 81 + H TYR 81 OK 100 100 100 100 2.7-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 5066 from nnoeabs.peaks (1.36, 7.96, 120.67 ppm; 4.47 A): 2 out of 6 assignments used, quality = 0.98: QB ALA 77 + H VAL 76 OK 93 97 100 97 3.6-4.4 2.9/5411=74, ~349=39...(10) HG2 LYS 75 + H VAL 76 OK 67 71 95 100 2.2-5.0 2.7/340=81, 2.7/3977=76...(9) HG3 LYS 75 - H VAL 76 poor 14 71 20 - 2.8-5.4 HG3 LYS 73 - H VAL 76 far 4 76 5 - 4.2-6.6 QB ALA 78 - H VAL 76 far 0 76 0 - 4.9-6.8 HG3 ARG 69 - H VAL 76 far 0 96 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 5084 from nnoeabs.peaks (3.89, 8.20, 121.35 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: HB3 SER 22 + H GLU 25 OK 100 100 100 100 2.2-4.3 1.8/5085=95, 5498/523=61...(7) Violated in 0 structures by 0.00 A. Peak 5085 from nnoeabs.peaks (4.03, 8.20, 121.35 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.80: HB2 SER 22 + H GLU 25 OK 80 85 100 94 2.6-4.7 1.8/5084=61, 4154/521=46...(5) Violated in 0 structures by 0.00 A. Peak 5086 from nnoeabs.peaks (1.33, 7.71, 115.23 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.96: QB ALA 28 + H MET 31 OK 96 96 100 100 4.4-4.6 2.1/4193=84, 5535/86=57...(11) HG3 LYS 32 - H MET 31 far 0 100 0 - 5.0-6.2 QB ALA 12 - H MET 31 far 0 99 0 - 8.1-24.7 QG2 THR 58 - H MET 31 far 0 93 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 5088 from nnoeabs.peaks (7.72, 6.94, 113.85 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: H ASN 42 + HD22 ASN 42 OK 100 100 100 100 3.2-3.9 5089/1.7=80, 618=69...(9) Violated in 0 structures by 0.00 A. Peak 5089 from nnoeabs.peaks (7.72, 7.62, 113.85 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: H ASN 42 + HD21 ASN 42 OK 100 100 100 100 1.9-2.8 5088/1.7=74, 3.0/1988=61...(10) Violated in 0 structures by 0.00 A. Peak 5090 from nnoeabs.peaks (2.62, 9.06, 113.20 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.85: HG2 GLN 61 + H THR 58 OK 85 85 100 100 2.9-4.3 3.0/4625=78, 3.0/4624=71...(10) HG2 MET 31 - H THR 58 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 5091 from nnoeabs.peaks (4.77, 8.51, 114.41 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.54: HB THR 58 + H SER 60 OK 54 99 100 55 2.3-2.5 234/4.7=37, 2.1/4643=28 HA LEU 57 - H SER 60 far 0 100 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 5122 from nnoeabs.peaks (6.94, 7.24, 115.36 ppm; 5.11 A increased from 4.81 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 35 + H ILE 40 OK 99 99 100 100 4.8-4.8 2.2/4657=88, 4573/605=73...(9) HD22 ASN 42 - H ILE 40 far 0 100 0 - 6.2-7.0 HZ PHE 35 - H ILE 40 far 0 99 0 - 7.1-7.2 HZ PHE 48 - H ILE 40 far 0 97 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 5179 from nnoeabs.peaks (4.15, 7.91, 120.59 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 29 + H ILE 33 OK 98 99 100 99 3.4-3.7 5188=91, 4183/5303=57...(5) HB THR 15 - H ILE 33 far 0 93 0 - 6.1-24.5 HA ALA 30 - H ILE 33 far 0 87 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 5181 from nnoeabs.peaks (1.94, 7.91, 120.59 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.98: HB2 MET 31 + H ILE 33 OK 98 100 100 99 3.6-4.1 556/5544=68...(5) HG LEU 57 - H ILE 33 far 0 92 0 - 8.7-9.2 HG13 ILE 68 - H ILE 33 far 0 90 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 5224 from nnoeabs.peaks (4.02, 7.43, 115.28 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.98: HA PHE 48 + H LEU 52 OK 98 99 100 100 4.4-4.6 4525/193=71, 4523/196=71...(8) HA ARG 54 - H LEU 52 far 0 95 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 5235 from nnoeabs.peaks (1.48, 8.82, 120.20 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.91: HB3 LEU 57 + H LEU 62 OK 91 92 100 99 2.9-3.6 3.1/4673=42, 1.8/4618=38...(15) QB ALA 63 - H LEU 62 far 0 100 0 - 4.4-4.5 HB3 LEU 52 - H LEU 62 far 0 97 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 5263 from nnoeabs.peaks (0.94, 8.00, 120.49 ppm; 4.44 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 41 + H LYS 73 OK 100 100 100 100 2.8-3.8 2.1/5264=76, 4335/3.6=64...(15) QG1 VAL 76 - H LYS 73 poor 19 93 20 - 4.3-6.4 QG2 VAL 76 - H LYS 73 far 9 93 10 - 3.8-7.6 QG2 ILE 40 - H LYS 73 far 0 100 0 - 5.6-6.3 HG12 ILE 68 - H LYS 73 far 0 93 0 - 8.0-8.9 QD1 LEU 64 - H LYS 73 far 0 83 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 5264 from nnoeabs.peaks (0.80, 8.00, 120.49 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: QG1 VAL 41 + H LYS 73 OK 100 100 100 100 2.6-3.4 2.1/5263=71, 5403/3.0=67...(19) QG2 ILE 68 - H LYS 73 far 0 99 0 - 5.2-5.9 QD1 ILE 68 - H LYS 73 far 0 83 0 - 8.0-8.6 QD1 LEU 43 - H LYS 73 far 0 60 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 5267 from nnoeabs.peaks (6.86, 7.47, 112.19 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 79 + HE21 GLN 79 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 5268 from nnoeabs.peaks (0.83, 8.17, 124.35 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 89 + H ILE 89 OK 98 98 100 100 1.9-3.9 4.0=100 QD1 ILE 89 + H ILE 89 OK 78 78 100 100 1.9-4.1 2.1/5269=79, 4.9=75...(6) QD2 LEU 86 - H ILE 89 far 5 100 5 - 3.7-9.9 Violated in 0 structures by 0.00 A. Peak 5269 from nnoeabs.peaks (1.45, 8.17, 124.35 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.96: HG13 ILE 89 + H ILE 89 OK 96 99 100 97 2.3-4.0 4.5=76, 2.9/877=68...(4) HG3 LYS 85 - H ILE 89 far 0 99 0 - 8.7-15.7 Violated in 0 structures by 0.00 A. Peak 5275 from nnoeabs.peaks (2.02, 8.13, 115.78 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.98: HB2 GLU 87 + H THR 88 OK 98 98 100 100 2.3-4.5 4.6=100 HB VAL 90 - H THR 88 far 0 100 0 - 5.8-10.4 HG2 PRO 44 - H THR 88 far 0 71 0 - 8.6-41.6 HB3 GLN 91 - H THR 88 far 0 87 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 5277 from nnoeabs.peaks (1.81, 8.27, 125.92 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.92: HB ILE 89 + H VAL 90 OK 92 92 100 100 2.1-4.5 4.4=100 HB2 LYS 13 - H ALA 12 far 0 40 0 - 5.4-7.4 HB2 LYS 85 - H VAL 90 far 0 99 0 - 9.4-16.8 Violated in 0 structures by 0.00 A. 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; 5.20 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 54 + HE ARG 54 OK 100 100 100 100 2.3-2.9 2.9=100 HD3 ARG 54 + HE ARG 54 OK 99 99 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 5300 from nnoeabs.peaks (3.18, 8.34, 120.23 ppm; 6.01 A increased from 5.34 A): 2 out of 7 assignments used, quality = 0.91: HD2 ARG 23 + H ASP 24 OK 71 95 95 79 4.4-6.3 3.5/44=48, 3.5/45=48 HD3 ARG 23 + H ASP 24 OK 68 95 90 80 4.1-6.6 3.5/44=48, 3.5/45=48 HD2 ARG 27 - H ASP 24 poor 11 98 40 28 4.0-8.1 ~5346=26 HD3 ARG 27 - H ASP 24 poor 11 98 40 28 4.6-8.4 ~5346=26 HD2 ARG 26 - H ASP 24 far 10 100 10 - 6.2-9.3 HD3 ARG 71 - H ASP 24 far 4 78 5 - 6.2-13.0 HD3 ARG 26 - H ASP 24 far 0 100 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 5301 from nnoeabs.peaks (4.78, 6.83, 111.22 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.77: HA LEU 57 + HE22 GLN 61 OK 77 83 100 93 2.8-5.2 4.0/4615=66, 6101/4.6=58...(4) HB THR 58 - HE22 GLN 61 far 0 78 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 5345 from nnoeabs.peaks (4.13, 8.13, 119.29 ppm; 4.25 A increased from 4.00 A): 1 out of 4 assignments used, quality = 0.90: HA ARG 23 + H ARG 26 OK 90 99 100 91 3.6-4.2 5341=89, 5344/527=9...(4) HA ARG 27 - H ARG 26 far 0 87 0 - 5.3-5.3 HA LEU 29 - H ARG 26 far 0 65 0 - 7.8-7.8 HA ALA 30 - H ARG 26 far 0 100 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 5347 from nnoeabs.peaks (4.09, 8.21, 122.47 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.98: HA GLU 25 + H ALA 28 OK 90 100 100 90 3.4-3.6 4181/2.9=57, 1328=26...(12) HA ARG 27 + H ALA 28 OK 78 78 100 100 3.5-3.5 3.6=99, 3.0/70=35...(12) HA ARG 26 - H ALA 28 far 7 71 10 - 3.8-4.1 HB THR 88 - H ARG 84 far 0 52 0 - 8.5-17.2 Violated in 0 structures by 0.00 A. Peak 5359 from nnoeabs.peaks (4.50, 7.83, 112.13 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 46 + HD22 ASN 49 OK 99 100 100 99 2.8-3.1 4496/1.7=57...(6) Violated in 0 structures by 0.00 A. Peak 5368 from nnoeabs.peaks (9.06, 8.82, 120.20 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: H THR 58 + H LEU 62 OK 100 100 100 100 3.6-4.0 4621=82, 4625/248=65...(11) Violated in 0 structures by 0.00 A. Peak 5379 from nnoeabs.peaks (3.98, 7.98, 119.32 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.95: HA ARG 66 + H ARG 69 OK 95 100 100 95 3.5-3.9 5378=49, 5047/760=48...(9) HA ARG 70 - H ARG 69 far 0 76 0 - 5.1-5.4 HA2 GLY 72 - H ARG 69 far 0 90 0 - 5.2-8.0 HA ALA 28 - H ARG 69 far 0 81 0 - 9.6-10.4 Violated in 1 structures by 0.00 A. Peak 5380 from nnoeabs.peaks (8.13, 8.18, 120.59 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.79: H ARG 26 + H ARG 27 OK 79 100 100 79 2.7-2.7 4.6=30, 528/63=27...(9) Violated in 0 structures by 0.00 A. Peak 5382 from nnoeabs.peaks (3.17, 8.18, 120.59 ppm; 4.84 A increased from 4.56 A): 2 out of 9 assignments used, quality = 0.98: HD3 ARG 27 + H ARG 27 OK 89 100 90 100 2.7-5.6 3.5/535=60, 6.3=46...(21) HD2 ARG 27 + H ARG 27 OK 85 100 85 100 2.6-5.3 3.5/535=60, 6.3=46...(20) HD2 ARG 26 - H ARG 27 poor 20 100 20 - 4.5-6.3 HD3 ARG 26 - H ARG 27 far 10 100 10 - 5.0-6.6 HD2 ARG 23 - H ARG 27 far 0 99 0 - 6.2-10.2 HD3 ARG 23 - H ARG 27 far 0 99 0 - 6.2-9.2 HD3 ARG 71 - H ARG 27 far 0 65 0 - 7.9-14.4 HD2 ARG 17 - H ARG 27 far 0 95 0 - 9.6-19.3 HD3 ARG 17 - H ARG 27 far 0 95 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 5383 from nnoeabs.peaks (4.49, 8.18, 120.59 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.92: HA ASP 24 + H ARG 27 OK 92 99 100 94 3.3-3.6 5384=55, 4169/5380=45...(9) Violated in 0 structures by 0.00 A. Peak 5387 from nnoeabs.peaks (4.09, 7.98, 123.05 ppm; 4.04 A increased from 3.81 A): 2 out of 3 assignments used, quality = 0.93: HA ARG 27 + H ALA 30 OK 78 78 100 99 3.8-4.0 5388/553=80, 5386=73...(7) HA ARG 26 + H ALA 30 OK 69 71 100 97 3.7-4.0 4184/908=63, 3.0/4194=42...(9) HA GLU 25 - H ALA 30 far 0 100 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 5389 from nnoeabs.peaks (3.51, 8.11, 117.98 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + H ARG 71 OK 100 100 100 100 3.1-4.3 5815=92, 3.6/5825=59...(9) Violated in 0 structures by 0.00 A. Peak 5390 from nnoeabs.peaks (8.11, 7.95, 118.23 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 71 + H ARG 70 OK 100 100 100 100 2.4-2.9 303=100, 5825/940=40...(14) H LYS 75 - H ARG 70 far 0 92 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 5397 from nnoeabs.peaks (8.11, 7.99, 106.73 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 71 + H GLY 72 OK 100 100 100 100 2.3-3.0 942=100, 776/4.4=36...(14) H LYS 75 - H GLY 72 far 0 92 0 - 4.7-5.4 Violated in 0 structures by 0.00 A. Peak 5410 from nnoeabs.peaks (7.96, 8.09, 121.69 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.99: H VAL 76 + H LYS 75 OK 99 100 100 99 2.3-3.0 4.6=83, 340/803=62...(12) H ARG 70 - H LYS 75 far 0 99 0 - 7.8-8.5 H ARG 69 - H LYS 75 far 0 73 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 5411 from nnoeabs.peaks (8.23, 7.96, 120.67 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: H ALA 77 + H VAL 76 OK 100 100 100 100 2.1-3.7 5433=99, 349/3.0=68...(9) H GLN 79 - H VAL 76 far 0 97 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 5414 from nnoeabs.peaks (1.99, 8.22, 118.71 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.95: HB3 GLN 79 + H GLN 79 OK 88 100 100 88 2.5-3.6 4.0=80, 3.0/5415=22...(4) HB2 GLN 79 + H GLN 79 OK 55 63 100 88 2.2-2.7 4.0=80, 3.0/5415=22...(4) Violated in 0 structures by 0.00 A. Peak 5415 from nnoeabs.peaks (2.32, 8.22, 118.71 ppm; 4.54 A increased from 4.27 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 79 + H GLN 79 OK 98 100 100 98 2.2-4.7 5.1=71, 5444/3.6=56...(7) HG3 GLN 79 + H GLN 79 OK 95 100 100 95 2.6-4.5 5.1=71, 3.0/824=48...(6) Violated in 0 structures by 0.00 A. Peak 5418 from nnoeabs.peaks (2.70, 8.28, 119.06 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 80 + H ASN 80 OK 100 100 100 100 2.1-2.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 5419 from nnoeabs.peaks (2.76, 8.28, 119.06 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 80 + H ASN 80 OK 100 100 100 100 2.7-3.7 3.8=100 HB3 ASN 74 - H ASN 80 far 0 71 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 5420 from nnoeabs.peaks (1.98, 8.28, 119.06 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 79 + H ASN 80 OK 97 97 100 100 2.7-4.1 4.2=100 HB3 GLN 79 + H ASN 80 OK 87 87 100 100 2.6-4.1 4.2=100 Violated in 0 structures by 0.00 A. Peak 5421 from nnoeabs.peaks (4.20, 8.28, 119.06 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HA GLN 79 + H ASN 80 OK 100 100 100 100 3.4-3.6 3.6=100 HA ALA 78 + H ASN 80 OK 32 98 95 34 4.1-4.7 15882/4.7=34 HA ARG 84 - H ASN 80 far 0 95 0 - 5.8-14.6 HA LYS 73 - H ASN 80 far 0 87 0 - 6.7-9.9 HA ARG 82 - H ASN 80 far 0 81 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 5422 from nnoeabs.peaks (4.61, 8.28, 119.06 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.98: * HA ASN 80 + H ASN 80 OK 98 98 100 100 2.8-2.9 3.0=100 HA ASN 74 - H ASN 80 far 0 100 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. 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; 4.78 A): 1 out of 3 assignments used, quality = 0.94: HA LYS 73 + H VAL 76 OK 94 100 100 94 3.1-3.9 15432/813=68...(5) HA ALA 78 - H VAL 76 far 0 65 0 - 6.8-8.2 HA GLN 79 - H VAL 76 far 0 87 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 5433 from nnoeabs.peaks (7.96, 8.23, 126.87 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: H VAL 76 + H ALA 77 OK 100 100 100 100 2.1-3.7 5411=100, 3.0/349=68...(9) H GLY 72 - H ALA 77 far 0 68 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HE21 GLN 79 + HE22 GLN 79 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HG3 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 HG2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 5443 from nnoeabs.peaks (2.32, 6.86, 112.19 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 79 + HE22 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 79 + HE22 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 5449 from nnoeabs.peaks (4.64, 8.05, 120.90 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.95: * HA ASN 80 + H TYR 81 OK 95 95 100 100 2.8-3.6 3.6=100 HA ASN 74 - H TYR 81 far 0 83 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 5450 from nnoeabs.peaks (4.46, 8.05, 120.90 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 81 + H TYR 81 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 5453 from nnoeabs.peaks (2.98, 8.05, 120.90 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 81 + H TYR 81 OK 100 100 100 100 2.1-3.0 3.9=100 HE3 LYS 73 - H TYR 81 far 0 65 0 - 6.9-13.6 HE2 LYS 73 - H TYR 81 far 0 68 0 - 7.1-13.9 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.99: QD TYR 81 + H TYR 81 OK 99 99 100 100 1.9-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 5470 from nnoeabs.peaks (2.71, 8.05, 120.90 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASN 80 + H TYR 81 OK 98 98 100 100 2.1-4.6 4.4=100 Violated in 0 structures by 0.00 A. 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; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 82 + H ARG 82 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 79 - H ARG 82 far 4 83 5 - 4.1-8.0 HA ALA 78 - H ARG 82 far 0 60 0 - 4.9-7.0 HA ARG 84 - H ARG 82 far 0 99 0 - 6.2-9.2 Violated in 0 structures by 0.00 A. Peak 5474 from nnoeabs.peaks (4.47, 8.04, 122.15 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.95: * HA TYR 81 + H ARG 82 OK 95 99 100 96 2.2-3.6 3.6=93, 5466/4.3=34, ~5886=15 Violated in 3 structures by 0.01 A. Peak 5475 from nnoeabs.peaks (3.00, 8.04, 122.15 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.71: HB3 TYR 81 + H ARG 82 OK 71 71 100 100 3.4-4.4 4.1=100 Violated in 1 structures by 0.00 A. Peak 5476 from nnoeabs.peaks (1.76, 8.04, 122.15 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 82 + H ARG 82 OK 100 100 100 100 2.2-4.0 4.0=100 HB2 LYS 83 - H ARG 82 far 0 90 0 - 4.9-7.6 Violated in 0 structures by 0.00 A. Peak 5477 from nnoeabs.peaks (1.69, 8.04, 122.15 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.98: * HB2 ARG 82 + H ARG 82 OK 98 100 100 98 2.9-4.0 4.0=93, 2.9/5478=55...(6) HB3 LYS 83 - H ARG 82 far 0 76 0 - 4.8-7.7 HB3 LYS 85 - H ARG 82 far 0 63 0 - 9.4-13.7 Violated in 2 structures by 0.01 A. Peak 5478 from nnoeabs.peaks (1.53, 8.04, 122.15 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: * HG2 ARG 82 + H ARG 82 OK 99 100 100 99 2.0-4.2 5885/3.0=72, 2.9/5477=66...(8) Violated in 2 structures by 0.00 A. Peak 5492 from nnoeabs.peaks (3.63, 7.99, 106.73 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.94: * HA ARG 69 + H GLY 72 OK 94 100 100 94 3.3-4.3 5130/5055=56...(9) HA VAL 65 - H GLY 72 far 0 100 0 - 8.2-8.9 HA ILE 40 - H GLY 72 far 0 100 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 5502 from nnoeabs.peaks (8.34, 8.49, 122.99 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: H ASP 24 + H ARG 23 OK 100 100 100 100 2.4-2.9 4.6=100 H GLU 19 - H ARG 23 far 0 96 0 - 9.6-14.0 Violated in 0 structures by 0.00 A. Peak 5504 from nnoeabs.peaks (1.67, 8.34, 120.23 ppm; 5.06 A): 1 out of 4 assignments used, quality = 1.00: HG2 ARG 23 + H ASP 24 OK 100 100 100 100 2.2-5.1 4.9=100 HD2 LYS 75 - H ASP 24 far 0 99 0 - 5.6-15.3 HD3 LYS 75 - H ASP 24 far 0 99 0 - 5.9-13.8 HG LEU 29 - H ASP 24 far 0 100 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 5509 from nnoeabs.peaks (8.50, 8.34, 120.23 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: H ARG 23 + H ASP 24 OK 100 100 100 100 2.4-2.9 4.6=100 Violated in 0 structures by 0.00 A. Peak 5511 from nnoeabs.peaks (1.35, 8.20, 121.35 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.96: QB ALA 28 + H GLU 25 OK 96 97 100 100 5.1-5.3 4181/2.9=93, 5531/4.0=63...(10) QB ALA 20 - H GLU 25 poor 16 63 25 - 3.9-8.6 QB ALA 16 - H GLU 25 far 0 97 0 - 9.0-17.3 Violated in 0 structures by 0.00 A. Peak 5516 from nnoeabs.peaks (0.87, 8.13, 119.29 ppm; 5.34 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 29 + H ARG 26 OK 99 99 100 100 4.3-4.5 5367=62, ~5929=52...(15) QD2 LEU 29 + H ARG 26 OK 60 60 100 100 3.2-3.5 2.1/5367=57, ~5929=52...(19) QD2 LEU 64 - H ARG 26 far 0 60 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 5519 from nnoeabs.peaks (1.44, 8.18, 120.59 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 30 + H ARG 27 OK 100 100 100 100 4.5-4.6 5388/3.0=99, 5539=97...(7) HG12 ILE 33 - H ARG 27 far 0 100 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 5520 from nnoeabs.peaks (1.34, 8.18, 120.59 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.91: QB ALA 28 + H ARG 27 OK 91 100 100 91 4.1-4.3 ~69=30, 4839/5521=27...(11) QB ALA 16 - H ARG 27 far 0 89 0 - 8.4-16.9 Violated in 0 structures by 0.00 A. Peak 5521 from nnoeabs.peaks (0.84, 8.18, 120.59 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 29 + H ARG 27 OK 94 100 100 94 4.2-4.5 4839/5520=55...(11) QD2 LEU 64 + H ARG 27 OK 68 100 70 97 5.1-5.6 5162/5520=63...(10) Violated in 0 structures by 0.00 A. Peak 5522 from nnoeabs.peaks (2.05, 8.18, 120.59 ppm; 5.47 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 25 + H ARG 27 OK 98 100 100 98 4.8-5.7 4.7/5380=82...(7) HB2 GLU 25 + H ARG 27 OK 95 100 100 95 4.6-5.7 4.7/5380=82, 3.0/61=36...(6) HB3 GLU 19 - H ARG 27 far 0 90 0 - 7.9-16.7 HB3 MET 31 - H ARG 27 far 0 90 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 5525 from nnoeabs.peaks (7.71, 7.95, 119.22 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.98: H MET 31 + H LEU 29 OK 98 98 100 100 4.2-4.5 86/908=90, 4193/3.6=70...(7) Violated in 0 structures by 0.00 A. Peak 5527 from nnoeabs.peaks (2.05, 8.21, 122.47 ppm; 5.33 A increased from 5.02 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 25 + H ALA 28 OK 99 100 100 99 4.9-5.1 5531/2.9=73, ~4181=56...(10) HB2 GLU 25 + H ALA 28 OK 89 100 90 99 5.5-5.8 ~5531=57, ~4181=56...(11) HB3 MET 31 - H ALA 28 far 0 89 0 - 7.0-7.5 HB3 GLU 19 - H ALA 28 far 0 92 0 - 7.6-16.7 HB2 GLU 87 - H ARG 84 far 0 61 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 5528 from nnoeabs.peaks (3.17, 8.21, 122.47 ppm; 5.49 A): 4 out of 12 assignments used, quality = 0.97: HD3 ARG 27 + H ALA 28 OK 68 100 70 97 4.9-6.6 3.5/70=57, 5.4/69=43...(9) HD3 ARG 84 + H ARG 84 OK 56 57 100 100 2.5-5.6 6.2=69, 3.5/843=44...(15) HD2 ARG 27 + H ALA 28 OK 54 100 55 98 4.7-6.4 3.5/70=57, 5.4/69=43...(9) HD2 ARG 84 + H ARG 84 OK 52 52 100 99 3.5-5.4 6.2=69, 3.5/843=44...(15) HD3 ARG 26 - H ALA 28 far 0 100 0 - 6.3-8.3 HD2 ARG 26 - H ALA 28 far 0 100 0 - 6.4-8.0 HD2 ARG 82 - H ARG 84 far 0 54 0 - 6.8-10.2 HD3 ARG 17 - H ALA 28 far 0 95 0 - 8.1-19.6 HD2 ARG 23 - H ALA 28 far 0 99 0 - 8.7-12.2 HD3 ARG 23 - H ALA 28 far 0 99 0 - 8.8-11.6 HD3 ARG 71 - H ALA 28 far 0 65 0 - 9.0-15.0 HD2 ARG 17 - H ALA 28 far 0 95 0 - 9.8-18.2 Violated in 0 structures by 0.00 A. Peak 5534 from nnoeabs.peaks (1.46, 7.95, 119.22 ppm; 4.53 A increased from 4.26 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 30 + H LEU 29 OK 94 95 100 99 4.4-4.4 2.9/908=92, 3.6/5525=51...(10) HG12 ILE 33 + H LEU 29 OK 70 93 100 75 4.4-4.7 4175/3.6=61, 3626/3.0=20...(4) HG3 LYS 13 - H LEU 29 far 0 100 0 - 9.5-24.0 Violated in 0 structures by 0.00 A. Peak 5535 from nnoeabs.peaks (1.33, 7.98, 123.05 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 28 + H ALA 30 OK 100 100 100 100 4.1-4.2 78/908=91, 2.1/4841=69...(8) QB ALA 16 - H ALA 30 far 0 68 0 - 6.2-18.2 HG3 LYS 32 - H ALA 30 far 0 100 0 - 6.4-6.9 QB ALA 12 - H ALA 30 far 0 100 0 - 7.8-24.9 Violated in 0 structures by 0.00 A. Peak 5538 from nnoeabs.peaks (8.21, 7.98, 123.05 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: H ALA 28 + H ALA 30 OK 100 100 100 100 3.6-3.7 76/908=89, 3.6/5386=68...(5) H THR 15 - H ALA 30 far 0 99 0 - 5.6-26.7 H GLU 25 - H ALA 30 far 0 97 0 - 7.9-8.2 H SER 22 - H ALA 30 far 0 100 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 5541 from nnoeabs.peaks (1.45, 7.94, 118.73 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 30 + H LYS 32 OK 99 100 100 99 4.1-4.3 3.6/910=76, 4190/90=54...(10) HG12 ILE 33 + H LYS 32 OK 95 100 100 95 3.5-3.7 574/4.6=58, 5543/3.0=54...(9) HG2 LYS 13 - H LYS 32 far 0 71 0 - 7.2-25.7 HG3 LYS 13 - H LYS 32 far 0 99 0 - 7.6-24.7 HB3 LEU 57 - H LYS 32 far 0 83 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 5542 from nnoeabs.peaks (1.62, 7.94, 118.73 ppm; 5.48 A increased from 4.87 A): 2 out of 7 assignments used, quality = 1.00: HD3 LYS 32 + H LYS 32 OK 100 100 100 100 4.8-5.5 3.0/564=93, 3.0/565=90...(17) HD2 LYS 32 + H LYS 32 OK 99 99 100 100 4.4-5.5 3.0/564=93, 3.0/565=90...(18) HG3 ARG 17 - H LYS 32 far 0 100 0 - 6.6-21.1 HG2 ARG 17 - H LYS 32 far 0 100 0 - 8.0-19.4 HG3 ARG 27 - H LYS 32 far 0 92 0 - 8.0-10.1 HG2 ARG 27 - H LYS 32 far 0 93 0 - 8.1-9.6 HG2 ARG 26 - H LYS 32 far 0 100 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 5544 from nnoeabs.peaks (7.70, 7.91, 120.59 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.99: H MET 31 + H ILE 33 OK 99 99 100 100 3.8-4.4 910/4.6=69, 5086/100=60...(11) H GLN 61 - H ILE 33 far 0 87 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 5555 from nnoeabs.peaks (3.55, 7.91, 120.59 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 34 + H ILE 33 OK 99 99 100 100 4.7-4.8 4.8=100 HD3 PRO 36 - H ILE 33 far 0 87 0 - 9.1-9.2 Violated in 0 structures by 0.00 A. Peak 5556 from nnoeabs.peaks (4.39, 7.91, 120.59 ppm; 5.80 A increased from 5.16 A): 1 out of 1 assignment used, quality = 0.59: HA MET 31 + H ILE 33 OK 59 60 100 98 5.1-5.5 3.0/5544=84, 3.0/5181=80 Violated in 0 structures by 0.00 A. Peak 5559 from nnoeabs.peaks (0.85, 7.91, 120.59 ppm; 5.27 A increased from 4.96 A): 1 out of 4 assignments used, quality = 0.96: QD2 LEU 64 + H ILE 33 OK 96 97 100 100 4.7-5.0 5162/5303=76...(9) QD2 LEU 29 - H ILE 33 far 0 97 0 - 5.9-6.1 QD1 LEU 29 - H ILE 33 far 0 71 0 - 6.7-6.8 QD1 LEU 62 - H ILE 33 far 0 85 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5576 from nnoeabs.peaks (0.72, 6.31, 116.43 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + H PHE 35 OK 97 97 100 100 4.5-4.9 4612/4248=72...(9) QD1 ILE 33 + H PHE 35 OK 93 93 100 100 4.5-4.6 3.2/4248=92, 5351=72...(10) Violated in 0 structures by 0.00 A. Peak 5587 from nnoeabs.peaks (1.04, 8.81, 115.67 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 40 + H THR 37 OK 98 98 100 100 4.1-4.4 4313/3.0=91, 4314/3.8=68...(9) HG3 PRO 34 - H THR 37 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 5589 from nnoeabs.peaks (7.39, 8.81, 115.67 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: H LYS 39 + H THR 37 OK 100 100 100 100 4.1-4.4 913/119=89, 5605/3.0=77...(6) Violated in 0 structures by 0.00 A. Peak 5590 from nnoeabs.peaks (7.63, 8.70, 119.49 ppm; 5.47 A increased from 5.15 A): 1 out of 2 assignments used, quality = 1.00: H VAL 41 + H ASP 38 OK 100 100 100 100 5.1-5.3 915/4888=73, 140/5598=73...(8) HD21 ASN 42 - H ASP 38 far 0 100 0 - 5.9-7.3 Violated in 0 structures by 0.00 A. Peak 5593 from nnoeabs.peaks (7.62, 7.39, 117.25 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: H VAL 41 + H LYS 39 OK 100 100 100 100 4.1-4.4 5632=86, 915/914=82...(8) HD21 ASN 42 - H LYS 39 far 5 100 5 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 5594 from nnoeabs.peaks (1.87, 6.31, 116.43 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: HB3 PRO 34 + H PHE 35 OK 100 100 100 100 3.8-4.4 4.0=100 HB2 LYS 39 - H PHE 35 far 0 87 0 - 6.4-6.8 HB ILE 68 - H PHE 35 far 0 73 0 - 9.6-9.9 HB3 PRO 14 - H PHE 35 far 0 93 0 - 10.0-28.3 Violated in 0 structures by 0.00 A. Peak 5598 from nnoeabs.peaks (0.93, 8.70, 119.49 ppm; 5.24 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 41 + H ASP 38 OK 99 99 100 100 4.6-5.4 4337/3.0=88, 140/5590=64...(9) QG2 ILE 40 - H ASP 38 far 0 100 0 - 6.5-6.6 HG12 ILE 68 - H ASP 38 far 0 99 0 - 7.1-8.4 QG1 VAL 76 - H ASP 38 far 0 99 0 - 7.2-10.8 QG2 VAL 76 - H ASP 38 far 0 99 0 - 8.4-13.1 QD2 LEU 43 - H ASP 38 far 0 90 0 - 8.5-9.2 QD1 LEU 64 - H ASP 38 far 0 68 0 - 9.0-10.1 Violated in 4 structures by 0.02 A. Peak 5599 from nnoeabs.peaks (1.90, 8.70, 119.49 ppm; 5.54 A increased from 5.21 A): 1 out of 4 assignments used, quality = 0.99: HG12 ILE 40 + H ASP 38 OK 99 99 100 99 5.0-5.2 4272/3.6=85, 605/4888=76...(5) HB2 GLU 19 - H ASP 38 far 0 97 0 - 6.2-17.5 HB ILE 68 - H ASP 38 far 0 100 0 - 7.4-8.1 HG13 ILE 68 - H ASP 38 far 0 71 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 5605 from nnoeabs.peaks (3.93, 7.39, 117.25 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.98: HA THR 37 + H LYS 39 OK 98 98 100 100 4.0-4.4 3.6/913=81, 4266/914=70...(5) HA3 GLY 18 - H LYS 39 far 0 100 0 - 6.3-20.4 HA2 GLY 18 - H LYS 39 far 0 100 0 - 7.4-21.2 HA3 GLY 21 - H LYS 39 far 0 73 0 - 9.2-15.6 HA2 GLY 21 - H LYS 39 far 0 71 0 - 9.7-16.2 Violated in 0 structures by 0.00 A. Peak 5609 from nnoeabs.peaks (6.66, 7.24, 115.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + H ILE 40 OK 100 100 100 100 3.9-4.2 4657=99, 2.2/5122=81...(13) Violated in 0 structures by 0.00 A. Peak 5623 from nnoeabs.peaks (2.77, 7.63, 114.41 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.95: HB2 ASN 42 + H VAL 41 OK 95 97 100 97 4.1-4.9 4.1/916=79, 4.4/5631=65...(5) HB3 ASN 42 - H VAL 41 far 0 99 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 5631 from nnoeabs.peaks (7.52, 7.63, 114.41 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.95: H LEU 43 + H VAL 41 OK 95 100 100 95 3.6-4.4 149/916=69, 4372/3.6=53...(5) HD21 ASN 80 - H VAL 41 far 0 71 0 - 8.9-15.3 Violated in 2 structures by 0.01 A. Peak 5632 from nnoeabs.peaks (7.38, 7.63, 114.41 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.92: H LYS 39 + H VAL 41 OK 92 92 100 100 4.1-4.4 5593=92, 914/915=77...(8) Violated in 0 structures by 0.00 A. Peak 5633 from nnoeabs.peaks (7.25, 7.72, 113.33 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.98: H ILE 40 + H ASN 42 OK 98 99 100 99 3.6-4.2 915/916=87, 4330/148=64...(5) Violated in 0 structures by 0.00 A. Peak 5635 from nnoeabs.peaks (1.73, 7.72, 113.33 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.89: HB2 LEU 43 + H ASN 42 OK 89 100 100 89 4.4-4.7 621/149=89 HG3 ARG 71 - H ASN 42 far 0 76 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 5640 from nnoeabs.peaks (4.04, 7.52, 120.92 ppm; 5.16 A increased from 4.35 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + H LEU 43 OK 100 100 100 100 4.9-5.0 4.8=100 HA PHE 48 - H LEU 43 far 0 97 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 5651 from nnoeabs.peaks (7.27, 8.62, 122.56 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.99: H ASP 47 + H VAL 45 OK 99 99 100 100 4.7-4.8 919/162=90, 4431/4.2=85...(8) Violated in 0 structures by 0.00 A. Peak 5660 from nnoeabs.peaks (7.53, 8.77, 123.38 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.99: H LEU 51 + H PHE 48 OK 99 99 100 100 4.6-4.7 5678=84, 4525/3.0=82...(5) H LEU 43 - H PHE 48 far 0 100 0 - 6.0-6.6 H ARG 54 - H PHE 48 far 0 99 0 - 9.2-9.6 Violated in 0 structures by 0.00 A. Peak 5667 from nnoeabs.peaks (7.15, 8.65, 117.58 ppm; 5.64 A increased from 5.01 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + H ASN 49 OK 100 100 100 100 5.1-5.3 2.2/180=99, 4.4/177=82...(8) Violated in 0 structures by 0.00 A. Peak 5668 from nnoeabs.peaks (0.45, 8.65, 117.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 52 + H ASN 49 OK 100 100 100 100 4.7-5.3 4486/3.0=95, 4959/180=76...(9) Violated in 0 structures by 0.00 A. Peak 5669 from nnoeabs.peaks (4.15, 6.86, 112.13 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.93: HA ASN 49 + HD21 ASN 49 OK 93 93 100 100 4.4-4.5 4.4=100 HA LYS 73 - HE22 GLN 79 far 0 76 0 - 8.7-14.9 HA ARG 82 - HE22 GLN 79 far 0 72 0 - 8.7-14.5 Violated in 0 structures by 0.00 A. Peak 5670 from nnoeabs.peaks (1.60, 7.73, 120.91 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 51 + H GLU 50 OK 100 100 100 100 4.4-4.7 660/923=88, 1.8/5676=67...(7) HG3 ARG 54 - H GLU 50 far 0 78 0 - 5.5-9.1 HD2 LYS 39 - H GLU 50 far 0 92 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 5671 from nnoeabs.peaks (8.78, 7.73, 120.91 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.97: H PHE 48 + H GLU 50 OK 97 97 100 100 4.0-4.3 4452=97, 921/922=78...(6) H ASP 46 - H GLU 50 far 0 93 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 5672 from nnoeabs.peaks (7.44, 7.73, 120.91 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.94: H LEU 52 + H GLU 50 OK 94 95 100 100 4.0-4.4 5687=88, 193/923=78...(9) Violated in 0 structures by 0.00 A. Peak 5678 from nnoeabs.peaks (8.78, 7.53, 121.73 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: H PHE 48 + H LEU 51 OK 100 100 100 100 4.6-4.7 5660=99, 3.0/4525=88...(5) H ASP 46 - H LEU 51 far 0 99 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. Peak 5687 from nnoeabs.peaks (7.73, 7.43, 115.28 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: H GLU 50 + H LEU 52 OK 100 100 100 100 4.0-4.4 5672=94, 923/193=85...(9) Violated in 0 structures by 0.00 A. Peak 5696 from nnoeabs.peaks (0.63, 7.43, 115.28 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 51 + H LEU 52 OK 98 98 100 100 4.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 5698 from nnoeabs.peaks (2.05, 7.22, 117.09 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.97: HB3 GLU 50 + H ALA 53 OK 97 97 100 100 4.8-5.1 3.0/4549=89, 5699/673=76...(10) HB2 GLU 50 - H ALA 53 far 0 97 0 - 5.4-5.8 HB3 PRO 56 - H ALA 53 far 0 85 0 - 7.6-9.8 HG2 PRO 56 - H ALA 53 far 0 95 0 - 9.3-10.6 Violated in 3 structures by 0.01 A. Peak 5703 from nnoeabs.peaks (7.34, 7.53, 116.98 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 55 + H ARG 54 OK 100 100 100 100 3.6-4.0 687/210=76, 4634/2315=59...(13) Violated in 0 structures by 0.00 A. Peak 5713 from nnoeabs.peaks (6.81, 7.69, 117.85 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 55 + H TYR 55 OK 100 100 100 100 4.5-4.8 2.2/687=98, 4644/213=73...(11) HE22 GLN 61 - H TYR 55 far 0 92 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 5730 from nnoeabs.peaks (0.99, 7.69, 117.85 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 57 + H TYR 55 OK 100 100 100 100 3.7-4.8 2.1/5733=70...(9) Violated in 1 structures by 0.00 A. Peak 5731 from nnoeabs.peaks (0.65, 7.69, 117.85 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.62: QD1 LEU 51 + H TYR 55 OK 62 63 100 99 4.0-4.8 4946=59, 5727/5713=51...(8) Violated in 0 structures by 0.00 A. Peak 5732 from nnoeabs.peaks (1.40, 7.69, 117.85 ppm; 4.83 A increased from 4.54 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 53 + H TYR 55 OK 98 99 100 100 4.3-4.8 3.6/210=86, 2.1/4582=86...(4) Violated in 0 structures by 0.00 A. Peak 5733 from nnoeabs.peaks (1.96, 7.69, 117.85 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: HG LEU 57 + H TYR 55 OK 99 100 100 100 4.0-5.1 2.1/5730=81, 4584/684=71...(6) Violated in 1 structures by 0.00 A. Peak 5744 from nnoeabs.peaks (2.80, 8.15, 124.80 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 55 + H LEU 57 OK 100 100 100 100 4.3-4.4 1.8/5745=84, 4584/692=77...(7) Violated in 0 structures by 0.00 A. Peak 5745 from nnoeabs.peaks (2.94, 8.15, 124.80 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.99: HB3 TYR 55 + H LEU 57 OK 99 100 100 99 4.3-4.9 1.8/5744=78, 4604/693=66...(6) HE2 LYS 13 - H LEU 57 far 0 73 0 - 8.7-31.0 HE3 LYS 13 - H LEU 57 far 0 76 0 - 9.4-32.2 Violated in 0 structures by 0.00 A. Peak 5746 from nnoeabs.peaks (3.70, 8.15, 124.80 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + H LEU 57 OK 99 99 100 99 4.9-5.0 3.6/218=89, 4595/5744=50...(6) HD3 PRO 56 + H LEU 57 OK 99 99 100 99 5.1-5.2 3.6/218=89, 4.8/5745=47...(6) Violated in 0 structures by 0.00 A. Peak 5747 from nnoeabs.peaks (1.56, 8.15, 124.80 ppm; 4.93 A increased from 4.64 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 62 + H LEU 57 OK 100 100 100 100 4.2-4.8 2333/690=90, 2.1/4597=77...(5) HB3 LEU 62 - H LEU 57 far 0 68 0 - 6.7-7.2 HB3 ARG 54 - H LEU 57 far 0 93 0 - 7.9-8.4 HG3 ARG 54 - H LEU 57 far 0 93 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 5752 from nnoeabs.peaks (1.98, 9.06, 113.20 ppm; 5.36 A): 2 out of 3 assignments used, quality = 0.98: QE MET 31 + H THR 58 OK 88 93 95 99 4.9-6.0 5083/4648=63...(7) HG LEU 57 + H THR 58 OK 81 81 100 100 4.7-5.1 4.9=100 HB2 LEU 64 - H THR 58 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 5753 from nnoeabs.peaks (2.16, 9.06, 113.20 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLN 61 + H THR 58 OK 100 100 100 100 4.1-5.1 1.8/5090=93, 3.0/4625=91...(9) Violated in 1 structures by 0.00 A. Peak 5754 from nnoeabs.peaks (3.95, 9.06, 113.20 ppm; 5.28 A increased from 4.97 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 61 + H THR 58 OK 95 95 100 100 5.0-5.6 5757=94, 3.0/4625=93...(10) HA LEU 62 - H THR 58 far 0 63 0 - 5.6-5.9 HA LYS 32 - H THR 58 far 0 71 0 - 9.0-10.0 Violated in 1 structures by 0.01 A. Peak 5759 from nnoeabs.peaks (7.98, 7.68, 122.99 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: H ALA 63 + H GLN 61 OK 100 100 100 100 3.9-4.2 5780=99, 254/932=83...(8) Violated in 0 structures by 0.00 A. Peak 5760 from nnoeabs.peaks (7.43, 7.68, 122.99 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.94: H LEU 64 + H GLN 61 OK 91 92 100 99 4.9-5.3 4687/3.0=78, 5776/932=70...(5) HE21 GLN 61 + H GLN 61 OK 29 73 40 100 4.9-6.2 3.5/713=87, 3.5/714=81...(9) Violated in 0 structures by 0.00 A. Peak 5762 from nnoeabs.peaks (3.89, 7.46, 111.22 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 33 + HE21 GLN 61 OK 100 100 100 100 3.1-4.3 5763/1.7=82, 5545=80...(7) Violated in 0 structures by 0.00 A. Peak 5763 from nnoeabs.peaks (3.89, 6.83, 111.22 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 33 + HE22 GLN 61 OK 100 100 100 100 3.0-4.6 5762/1.7=76, 4206=73...(10) Violated in 0 structures by 0.00 A. Peak 5764 from nnoeabs.peaks (3.56, 7.46, 111.22 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.90: HD3 PRO 34 + HE21 GLN 61 OK 90 90 100 100 3.2-4.1 4655/1.7=83, 3.8/5762=71...(9) Violated in 0 structures by 0.00 A. Peak 5766 from nnoeabs.peaks (1.66, 7.46, 111.22 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLN 61 + HE21 GLN 61 OK 100 100 100 100 2.1-4.1 4.6=100 HD3 LYS 13 - HE21 GLN 61 far 0 100 0 - 6.6-29.9 HD2 LYS 13 - HE21 GLN 61 far 0 100 0 - 7.8-29.0 HB3 LYS 13 - HE21 GLN 61 far 0 89 0 - 8.5-29.0 Violated in 0 structures by 0.00 A. Peak 5769 from nnoeabs.peaks (1.77, 7.68, 122.99 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.66: HB2 LEU 62 + H GLN 61 OK 66 71 100 93 4.2-4.5 4.0/932=65, 4.6/5759=41...(5) HB2 LEU 57 - H GLN 61 far 0 100 0 - 5.1-5.8 HB2 LYS 32 - H GLN 61 far 0 100 0 - 7.4-8.4 HB3 LYS 32 - H GLN 61 far 0 100 0 - 9.1-10.1 HG2 PRO 34 - H GLN 61 far 0 96 0 - 9.5-10.8 HB ILE 33 - H GLN 61 far 0 100 0 - 9.9-10.6 Violated in 1 structures by 0.00 A. Peak 5774 from nnoeabs.peaks (1.96, 8.82, 120.20 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.70: QE MET 31 + H LEU 62 OK 70 71 100 99 4.6-5.0 5079/3.6=59, 5083/932=54...(10) HB2 LEU 64 - H LEU 62 poor 20 99 20 - 5.3-5.5 HG LEU 57 - H LEU 62 far 0 97 0 - 5.8-6.1 HB2 MET 31 - H LEU 62 far 0 60 0 - 7.1-8.1 HB3 ARG 66 - H LEU 62 far 0 76 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 5775 from nnoeabs.peaks (4.28, 8.82, 120.20 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: HA SER 60 + H LEU 62 OK 99 100 100 99 4.7-5.0 3.6/932=84, 4647/933=74...(4) HA LEU 64 - H LEU 62 far 0 81 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 5776 from nnoeabs.peaks (7.42, 8.82, 120.20 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.98: H LEU 64 + H LEU 62 OK 98 99 100 100 4.2-4.6 934/933=81, 4687/3.6=67...(6) H LEU 52 - H LEU 62 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 5779 from nnoeabs.peaks (8.38, 7.98, 119.93 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: H VAL 65 + H ALA 63 OK 100 100 100 100 4.0-4.3 264/934=83, 4720/3.6=70...(6) Violated in 0 structures by 0.00 A. Peak 5780 from nnoeabs.peaks (7.69, 7.98, 119.93 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.99: H GLN 61 + H ALA 63 OK 99 99 100 100 3.9-4.2 5759=98, 932/933=83...(8) Violated in 0 structures by 0.00 A. Peak 5788 from nnoeabs.peaks (8.82, 7.42, 119.17 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: H LEU 62 + H LEU 64 OK 99 99 100 100 4.2-4.6 5776=98, 933/934=94...(6) Violated in 0 structures by 0.00 A. Peak 5795 from nnoeabs.peaks (0.71, 8.38, 117.58 ppm; 4.71 A increased from 4.43 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + H VAL 65 OK 100 100 100 100 4.4-4.5 4211=84, 6122/269=68...(8) QD2 LEU 57 - H VAL 65 far 0 100 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 5796 from nnoeabs.peaks (4.06, 8.38, 117.58 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 63 + H VAL 65 OK 100 100 100 100 4.1-4.6 3.6/264=83, 5783=75...(7) HA GLU 59 - H VAL 65 far 0 89 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 5800 from nnoeabs.peaks (2.87, 8.59, 117.85 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.68: HB2 ASP 67 + H ARG 66 OK 68 68 100 100 4.2-4.5 3.9/937=80, 1.8/5813=66...(7) HB3 PHE 48 - H ARG 66 far 0 97 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 5801 from nnoeabs.peaks (7.43, 8.59, 117.85 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.97: H LEU 64 + H ARG 66 OK 97 97 100 100 3.9-4.2 5018=79, 264/271=77...(7) H LEU 52 - H ARG 66 far 0 100 0 - 8.7-9.7 HE21 GLN 61 - H ARG 66 far 0 60 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 5803 from nnoeabs.peaks (0.81, 7.93, 121.56 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.62: QD1 ILE 68 + H ASP 67 OK 62 63 100 100 4.4-5.0 754/284=92, 2.1/5817=62...(7) QG2 ILE 68 - H ASP 67 far 0 100 0 - 5.7-5.8 QG1 VAL 41 - H ASP 67 far 0 95 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 5804 from nnoeabs.peaks (1.23, 7.93, 121.56 ppm; 5.42 A increased from 5.10 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 65 + H ASP 67 OK 99 99 100 100 5.0-5.2 4.1/937=85, 4734/3.6=75...(10) QG2 VAL 65 + H ASP 67 OK 93 93 100 100 5.1-5.2 4.1/937=85, 4714=84...(13) HG2 ARG 69 - H ASP 67 far 0 93 0 - 7.3-8.1 HG13 ILE 40 - H ASP 67 far 0 100 0 - 7.5-8.1 HG13 ILE 33 - H ASP 67 far 0 99 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 5805 from nnoeabs.peaks (1.50, 7.93, 121.56 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.88: QB ALA 63 + H ASP 67 OK 88 89 100 100 4.7-5.1 2.1/5808=90, 4.9/4737=71...(8) Violated in 0 structures by 0.00 A. Peak 5806 from nnoeabs.peaks (3.19, 7.93, 121.56 ppm; 6.50 A increased from 5.29 A): 4 out of 7 assignments used, quality = 1.00: HD3 ARG 66 + H ASP 67 OK 100 100 100 100 5.3-6.6 3.4/278=98, 3.0/280=97...(10) HD2 ARG 66 + H ASP 67 OK 100 100 100 100 5.5-6.6 3.4/278=98, 3.0/280=97...(10) HD2 ARG 70 + H ASP 67 OK 40 81 50 99 5.4-9.3 ~5049=66, ~5052=65...(9) HD3 ARG 70 + H ASP 67 OK 25 85 30 99 4.8-8.8 ~5049=66, ~5052=65...(9) HD3 ARG 27 - H ASP 67 far 0 90 0 - 7.2-11.4 HD3 ARG 71 - H ASP 67 far 0 92 0 - 7.3-10.2 HD2 ARG 27 - H ASP 67 far 0 90 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 5807 from nnoeabs.peaks (3.63, 7.93, 121.56 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 65 + H ASP 67 OK 100 100 100 100 4.1-4.3 3.6/937=90, 4747/284=86...(9) HA ARG 69 - H ASP 67 far 0 100 0 - 6.6-6.9 HA ILE 40 - H ASP 67 far 0 100 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 5808 from nnoeabs.peaks (4.07, 7.93, 121.56 ppm; 5.09 A increased from 4.79 A): 1 out of 3 assignments used, quality = 0.96: HA ALA 63 + H ASP 67 OK 96 97 100 100 4.5-4.8 5036/937=70, 2.1/5805=64...(9) HA ARG 71 - H ASP 67 far 0 100 0 - 8.1-8.9 HA GLU 59 - H ASP 67 far 0 63 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 5809 from nnoeabs.peaks (3.98, 8.44, 120.04 ppm; 5.10 A): 1 out of 5 assignments used, quality = 1.00: HA ARG 66 + H ILE 68 OK 100 100 100 100 4.2-4.9 3.6/284=87, 5379/939=81...(6) HA2 GLY 72 - H ILE 68 far 0 90 0 - 6.4-9.1 HA ARG 70 - H ILE 68 far 0 76 0 - 7.0-7.4 HA ALA 28 - H ILE 68 far 0 81 0 - 7.8-8.7 HA GLN 61 - H ILE 68 far 0 93 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 5810 from nnoeabs.peaks (4.27, 8.44, 120.04 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.93: HA LEU 64 + H ILE 68 OK 93 93 100 100 3.9-4.3 6135=93, 4693/284=66...(8) HA ASP 38 - H ILE 68 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 5812 from nnoeabs.peaks (8.58, 8.44, 120.04 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + H ILE 68 OK 100 100 100 100 3.9-4.3 937/284=82, 3.6/4747=70...(10) Violated in 0 structures by 0.00 A. Peak 5818 from nnoeabs.peaks (1.54, 8.44, 120.04 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 64 + H ILE 68 OK 100 100 100 100 3.5-4.1 5242/757=88, 2.1/6134=88...(6) HG LEU 62 - H ILE 68 far 0 63 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 5819 from nnoeabs.peaks (4.48, 7.98, 119.32 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 67 + H ARG 69 OK 99 100 100 99 3.9-4.4 3.6/939=89, 4792/940=83...(4) HA ASP 24 - H ARG 69 far 0 99 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 5820 from nnoeabs.peaks (2.03, 7.98, 119.32 ppm; 4.96 A increased from 4.41 A): 2 out of 3 assignments used, quality = 0.94: HD3 ARG 69 + H ARG 69 OK 90 100 90 100 4.5-5.9 3.9/763=81, 3.9/760=80...(10) HD2 ARG 69 + H ARG 69 OK 45 100 45 100 4.1-5.9 3.9/763=81, 3.9/760=80...(10) HG2 ARG 66 - H ARG 69 far 0 83 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 5825 from nnoeabs.peaks (8.10, 7.98, 119.32 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.98: H ARG 71 + H ARG 69 OK 98 100 100 98 3.6-4.4 303/940=80, 15389/3.6=54...(8) H LYS 75 - H ARG 69 far 0 97 0 - 8.8-10.1 Violated in 4 structures by 0.00 A. Peak 5826 from nnoeabs.peaks (8.43, 7.95, 118.23 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: H ILE 68 + H ARG 70 OK 99 100 100 99 4.1-4.8 939/940=92, 3.6/4792=75...(5) Violated in 0 structures by 0.00 A. Peak 5828 from nnoeabs.peaks (3.21, 7.95, 118.23 ppm; 5.01 A): 2 out of 5 assignments used, quality = 0.98: HD3 ARG 70 + H ARG 70 OK 93 97 95 100 3.4-5.9 3.0/2864=77, 3.0/2872=71...(18) HD2 ARG 70 + H ARG 70 OK 79 99 80 100 3.1-6.0 3.0/2864=77, 3.0/2872=71...(18) HD3 ARG 71 - H ARG 70 far 0 93 0 - 5.5-8.2 HD2 ARG 66 - H ARG 70 far 0 71 0 - 6.0-9.4 HD3 ARG 66 - H ARG 70 far 0 65 0 - 6.3-8.9 Violated in 0 structures by 0.00 A. Peak 5829 from nnoeabs.peaks (1.24, 7.95, 118.23 ppm; 4.45 A): 1 out of 4 assignments used, quality = 1.00: HG2 ARG 69 + H ARG 70 OK 100 100 100 100 3.3-4.2 3943=100, 3.0/297=78...(12) QG1 VAL 65 - H ARG 70 far 0 99 0 - 6.3-6.8 QG2 VAL 65 - H ARG 70 far 0 65 0 - 7.8-8.3 HG13 ILE 40 - H ARG 70 far 0 99 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 5830 from nnoeabs.peaks (0.93, 7.95, 118.23 ppm; 4.70 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 40 + H ARG 70 OK 100 100 100 100 4.4-4.8 292/940=80, 4303/297=67...(11) QG2 VAL 41 + H ARG 70 OK 58 100 60 96 4.6-5.5 5130/3.6=75, 4348/297=31...(8) HG12 ILE 68 - H ARG 70 far 0 97 0 - 6.4-7.4 QG2 VAL 76 - H ARG 70 far 0 97 0 - 7.6-11.7 QD1 LEU 64 - H ARG 70 far 0 76 0 - 7.9-8.5 QG1 VAL 76 - H ARG 70 far 0 97 0 - 8.0-10.5 QD2 LEU 62 - H ARG 70 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 5831 from nnoeabs.peaks (0.82, 7.95, 118.23 ppm; 5.40 A increased from 5.08 A): 1 out of 4 assignments used, quality = 0.98: QG2 ILE 68 + H ARG 70 OK 98 98 100 100 4.7-5.5 4.1/940=90, 4751/3.6=84...(8) QG1 VAL 41 - H ARG 70 far 8 78 10 - 5.6-6.3 QD2 LEU 64 - H ARG 70 far 0 65 0 - 8.0-9.0 QD1 LEU 43 - H ARG 70 far 0 96 0 - 9.7-10.5 Violated in 1 structures by 0.00 A. Peak 5833 from nnoeabs.peaks (3.19, 8.11, 117.98 ppm; 5.12 A increased from 4.82 A): 3 out of 7 assignments used, quality = 1.00: HD3 ARG 71 + H ARG 71 OK 95 100 95 100 3.2-5.6 3.0/779=92, 3.5/776=90...(12) HD2 ARG 70 + H ARG 71 OK 72 97 75 99 4.2-6.1 3.0/307=82, 6.3/303=46...(12) HD3 ARG 70 + H ARG 71 OK 68 98 70 99 4.2-6.1 3.0/307=82, 6.3/303=46...(13) HD2 ARG 27 - H ARG 71 far 0 68 0 - 7.9-12.1 HD3 ARG 27 - H ARG 71 far 0 68 0 - 8.0-12.3 HD2 ARG 66 - H ARG 71 far 0 99 0 - 8.5-11.6 HD3 ARG 66 - H ARG 71 far 0 99 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 5834 from nnoeabs.peaks (0.94, 8.11, 117.98 ppm; 5.67 A increased from 5.04 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 41 + H ARG 71 OK 99 100 100 99 4.1-5.7 5055/942=88...(8) QG2 ILE 40 + H ARG 71 OK 57 99 60 96 5.3-6.4 4326/5825=78...(4) HG12 ILE 68 - H ARG 71 poor 18 92 20 - 5.7-7.1 QG2 VAL 76 - H ARG 71 far 0 92 0 - 7.4-10.7 QD1 LEU 64 - H ARG 71 far 0 85 0 - 7.6-8.1 QG1 VAL 76 - H ARG 71 far 0 92 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 5835 from nnoeabs.peaks (0.81, 8.11, 117.98 ppm; 5.66 A increased from 5.33 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + H ARG 71 OK 100 100 100 100 4.2-5.6 3.2/15389=86...(12) QG1 VAL 41 + H ARG 71 OK 38 95 45 90 5.2-6.5 2.1/5834=50, 5056/942=40...(5) QD1 ILE 68 - H ARG 71 far 0 63 0 - 6.3-7.1 Violated in 0 structures by 0.00 A. Peak 5837 from nnoeabs.peaks (3.63, 8.11, 117.98 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: HA ARG 69 + H ARG 71 OK 100 100 100 100 3.9-5.2 3.6/303=87, 2.9/5825=82...(9) HA VAL 65 - H ARG 71 far 0 100 0 - 7.7-8.4 HA ILE 40 - H ARG 71 far 0 99 0 - 9.1-10.4 Violated in 1 structures by 0.00 A. Peak 5838 from nnoeabs.peaks (4.49, 8.11, 117.98 ppm; 5.37 A): 1 out of 2 assignments used, quality = 0.95: HA ASP 67 + H ARG 71 OK 95 97 100 99 3.3-4.5 5052/307=62, 4792/303=56...(10) HA ASP 24 - H ARG 71 far 0 100 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 5839 from nnoeabs.peaks (1.39, 7.99, 106.73 ppm; 6.26 A increased from 5.27 A): 3 out of 8 assignments used, quality = 1.00: HB3 ARG 69 + H GLY 72 OK 98 99 100 99 5.1-6.5 3.0/5492=97...(6) HG3 LYS 73 + H GLY 72 OK 57 100 60 95 5.6-7.2 2998/4.5=80...(8) HG3 ARG 69 + H GLY 72 OK 55 97 60 96 5.3-7.4 3.9/5492=89...(4) HG3 LYS 75 - H GLY 72 far 5 100 5 - 4.5-8.9 HG2 LYS 75 - H GLY 72 far 5 100 5 - 6.0-9.2 QB ALA 77 - H GLY 72 far 0 96 0 - 7.2-8.8 QB ALA 20 - H GLY 72 far 0 97 0 - 9.2-17.8 QB ALA 78 - H GLY 72 far 0 100 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 5840 from nnoeabs.peaks (1.62, 7.99, 106.73 ppm; 5.28 A increased from 4.69 A): 1 out of 6 assignments used, quality = 1.00: HG2 ARG 71 + H GLY 72 OK 100 100 100 100 2.0-5.3 5.0=100 HG3 ARG 70 - H GLY 72 far 10 97 10 - 5.0-7.5 HD3 LYS 73 - H GLY 72 far 0 96 0 - 5.6-8.4 HD2 LYS 73 - H GLY 72 far 0 96 0 - 6.5-8.3 HG3 ARG 27 - H GLY 72 far 0 97 0 - 8.4-12.0 HG2 ARG 27 - H GLY 72 far 0 98 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 5841 from nnoeabs.peaks (1.77, 7.99, 106.73 ppm; 4.73 A increased from 4.45 A): 1 out of 3 assignments used, quality = 0.86: HG3 ARG 71 + H GLY 72 OK 86 87 100 99 2.6-5.0 5.0=85, 2928/942=61...(7) HB3 LYS 75 - H GLY 72 far 13 87 15 - 4.8-6.6 HB3 LYS 73 - H GLY 72 far 5 99 5 - 4.8-6.1 Violated in 2 structures by 0.02 A. Peak 5842 from nnoeabs.peaks (1.96, 7.99, 106.73 ppm; 4.60 A): 0 out of 3 assignments used, quality = 0.00: HB2 ARG 70 - H GLY 72 poor 17 99 25 68 4.5-6.2 4.4/942=62, 5372/3.6=14 HB3 ARG 70 - H GLY 72 poor 15 99 25 62 4.5-6.3 4.4/942=62 HB3 ARG 66 - H GLY 72 far 0 81 0 - 9.2-10.8 Violated in 11 structures by 0.24 A. Peak 5845 from nnoeabs.peaks (3.50, 7.99, 106.73 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.98: HA ILE 68 + H GLY 72 OK 98 100 100 99 2.9-4.5 5389/942=67, 3934=48...(10) Violated in 0 structures by 0.00 A. Peak 5847 from nnoeabs.peaks (1.60, 6.90, 112.60 ppm; 4.87 A): 0 out of 14 assignments used, quality = 0.00: HD2 LYS 73 - HD22 ASN 80 far 14 96 15 - 3.9-11.7 HG3 ARG 70 - HD22 ASN 74 far 10 99 10 - 2.9-10.8 HD3 LYS 73 - HD22 ASN 80 far 10 96 10 - 4.5-10.6 HG2 ARG 71 - HD22 ASN 74 far 0 92 0 - 5.7-9.4 HD3 LYS 73 - HD22 ASN 74 far 0 99 0 - 6.5-11.5 HD2 LYS 73 - HD22 ASN 74 far 0 99 0 - 6.7-12.0 HG LEU 86 - HD22 ASN 80 far 0 96 0 - 7.0-25.5 HG2 ARG 84 - HD22 ASN 80 far 0 92 0 - 7.2-17.5 HB2 LEU 86 - HD22 ASN 80 far 0 93 0 - 7.2-25.4 HG3 ARG 84 - HD22 ASN 80 far 0 92 0 - 7.5-17.8 HG3 ARG 84 - HD22 ASN 74 far 0 97 0 - 8.2-23.0 HG2 ARG 84 - HD22 ASN 74 far 0 97 0 - 8.9-23.7 HB2 LEU 86 - HD22 ASN 74 far 0 97 0 - 9.0-27.5 HG LEU 86 - HD22 ASN 74 far 0 99 0 - 9.4-28.2 Violated in 13 structures by 0.44 A. Peak 5849 from nnoeabs.peaks (1.46, 8.09, 121.69 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.48: HG3 LYS 85 + H LYS 85 OK 48 52 100 94 2.3-4.6 4.8=84, ~6145=25...(6) HG2 LYS 73 - H LYS 75 far 0 87 0 - 5.8-7.3 Violated in 1 structures by 0.00 A. Peak 5850 from nnoeabs.peaks (0.93, 8.09, 121.69 ppm; 5.59 A): 2 out of 7 assignments used, quality = 0.99: QG1 VAL 76 + H LYS 75 OK 98 98 100 100 3.6-4.5 815/5410=85, 5846/4.0=63...(13) QG2 VAL 41 + H LYS 75 OK 53 100 65 82 5.3-6.0 4336/15851=67...(3) QG2 VAL 76 - H LYS 75 far 15 98 15 - 3.5-6.1 QG2 VAL 76 - H LYS 85 far 0 50 0 - 6.8-18.2 QG2 ILE 40 - H LYS 75 far 0 100 0 - 8.7-9.5 QG1 VAL 76 - H LYS 85 far 0 50 0 - 9.3-19.4 HG12 ILE 68 - H LYS 75 far 0 98 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 5851 from nnoeabs.peaks (3.96, 8.09, 121.69 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.99: * HA2 GLY 72 + H LYS 75 OK 96 100 100 96 3.6-4.9 16031/803=66...(5) HA VAL 76 + H LYS 75 OK 83 100 85 98 5.0-5.5 3.0/5410=82, 5853/4.0=55...(6) HA VAL 76 - H LYS 85 far 0 53 0 - 9.1-21.4 Violated in 0 structures by 0.00 A. Peak 5855 from nnoeabs.peaks (2.80, 7.96, 120.67 ppm; 5.92 A increased from 5.27 A): 2 out of 2 assignments used, quality = 0.90: HB2 ASN 74 + H VAL 76 OK 73 98 90 83 4.9-6.4 4.6/5410=76...(3) HB3 ASN 74 + H VAL 76 OK 64 81 95 83 4.8-6.2 4.6/5410=76, 5990/814=17 Violated in 0 structures by 0.00 A. Peak 5857 from nnoeabs.peaks (8.23, 8.15, 122.77 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.98: H ALA 77 + H ALA 78 OK 90 100 100 90 1.9-2.8 4.6=61, 3.0/3988=43...(5) H GLN 79 + H ALA 78 OK 81 95 100 85 2.6-3.0 4.6=62, 3.6/821=39...(5) H ARG 84 - H ALA 78 far 0 57 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. Peak 5858 from nnoeabs.peaks (8.15, 8.23, 126.87 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: H ALA 78 + H ALA 77 OK 100 100 100 100 1.9-2.8 4.6=100 H ASN 74 + H ALA 77 OK 62 99 65 96 4.8-6.8 3.0/16039=65, ~16040=45...(5) Violated in 0 structures by 0.00 A. Peak 5861 from nnoeabs.peaks (0.91, 8.15, 122.77 ppm; 5.21 A increased from 4.91 A): 2 out of 4 assignments used, quality = 0.92: QG2 VAL 76 + H ALA 78 OK 87 98 100 89 3.8-5.4 5437/3.6=71, 4.3/5857=37...(6) QG1 VAL 76 + H ALA 78 OK 40 98 85 48 4.5-5.7 4.3/5857=37, ~5435=9, ~6114=7 QD1 LEU 86 - H ALA 78 far 0 73 0 - 8.6-22.0 QG2 VAL 41 - H ALA 78 far 0 76 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 5882 from nnoeabs.peaks (4.21, 8.05, 120.90 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.96: * HA ALA 78 + H TYR 81 OK 93 100 100 93 3.3-4.5 5862/3.9=60, 6049/3.9=58...(5) HA ALA 77 + H TYR 81 OK 39 65 80 74 3.0-5.7 15875/4.4=39...(4) HA GLN 79 - H TYR 81 lone 18 98 95 19 3.6-5.9 6050=15, 5459/3.9=3 HA ARG 84 - H TYR 81 far 0 78 0 - 5.5-11.7 HA LYS 73 - H TYR 81 far 0 69 0 - 8.4-11.8 HA LYS 85 - H TYR 81 far 0 76 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 5895 from nnoeabs.peaks (1.38, 8.27, 123.92 ppm; 5.24 A): 1 out of 4 assignments used, quality = 0.99: HG2 LYS 85 + H LEU 86 OK 99 99 100 100 2.2-5.1 4.7=100 HG2 LYS 83 - H LEU 86 far 5 92 5 - 4.6-10.6 QB ALA 78 - H LEU 86 far 0 100 0 - 8.4-18.2 QB ALA 16 - H LEU 86 far 0 73 0 - 9.7-50.8 Violated in 0 structures by 0.00 A. Peak 5896 from nnoeabs.peaks (1.59, 8.31, 123.08 ppm; 5.06 A): 0 out of 4 assignments used, quality = 0.00: HG3 ARG 84 - H LYS 83 far 15 100 15 - 4.7-7.3 HG2 ARG 84 - H LYS 83 poor 11 100 25 45 4.9-7.5 845/4.6=30, 3.9/359=21 HG LEU 86 - H LYS 83 far 5 100 5 - 5.0-14.3 HB2 LEU 86 - H LYS 83 far 4 83 5 - 4.7-14.4 Violated in 12 structures by 0.38 A. Peak 5897 from nnoeabs.peaks (1.37, 8.31, 123.08 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: HG2 LYS 83 + H LYS 83 OK 100 100 100 100 2.0-4.8 4.6=100 HG2 LYS 85 - H LYS 83 far 5 100 5 - 4.7-12.1 QB ALA 78 - H LYS 83 far 0 93 0 - 6.0-10.8 QB ALA 77 - H LYS 83 far 0 100 0 - 7.2-10.7 Violated in 0 structures by 0.00 A. Peak 5898 from nnoeabs.peaks (8.43, 8.27, 123.92 ppm; 4.66 A increased from 4.38 A): 1 out of 1 assignment used, quality = 1.00: H GLU 87 + H LEU 86 OK 100 100 100 100 2.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 5899 from nnoeabs.peaks (8.13, 8.42, 121.83 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: H THR 88 + H GLU 87 OK 100 100 100 100 2.5-4.6 4.6=100 H LYS 85 - H GLU 87 far 8 76 10 - 3.3-7.7 Violated in 0 structures by 0.00 A. Peak 5900 from nnoeabs.peaks (8.42, 8.13, 115.78 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: H GLU 87 + H THR 88 OK 100 100 100 100 2.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 5901 from nnoeabs.peaks (1.91, 8.13, 115.78 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 87 + H THR 88 OK 100 100 100 100 2.0-4.5 4.6=100 HB3 PRO 14 - H THR 88 far 0 78 0 - 9.5-74.6 HB2 GLN 91 - H THR 88 far 0 96 0 - 9.5-13.9 HB2 MET 11 - H THR 88 far 0 73 0 - 10.0-79.7 Violated in 0 structures by 0.00 A. Peak 5905 from nnoeabs.peaks (2.26, 8.03, 129.89 ppm; 5.04 A): 0 out of 0 assignments used, quality = 0.00: Peak 5906 from nnoeabs.peaks (1.99, 8.20, 114.71 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.96: HG2 PRO 14 + H THR 15 OK 89 99 100 90 4.0-5.0 3.8/10=90 HG3 PRO 14 + H THR 15 OK 67 99 75 90 4.7-5.8 3.8/10=90 HB3 MET 11 - H THR 15 far 0 93 0 - 8.4-13.9 QE MET 31 - H THR 15 far 0 100 0 - 9.1-25.2 Violated in 0 structures by 0.00 A. Peak 5908 from nnoeabs.peaks (3.17, 8.38, 120.73 ppm; 5.68 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 17 + H ARG 17 OK 94 99 95 100 2.4-6.0 5.6=100 HD2 ARG 17 + H ARG 17 OK 94 99 95 100 3.1-6.1 5.6=100 HD3 ARG 26 - H ARG 17 far 0 99 0 - 7.0-20.2 HD2 ARG 26 - H ARG 17 far 0 99 0 - 8.7-19.9 Violated in 0 structures by 0.00 A. Peak 5909 from nnoeabs.peaks (0.79, 8.21, 122.47 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 68 + H ALA 28 OK 98 99 100 99 4.0-4.9 4758/2.9=86, 5928/3.0=65...(10) QG2 ILE 68 - H ALA 28 far 0 81 0 - 5.7-6.7 Violated in 0 structures by 0.00 A. Peak 5910 from nnoeabs.peaks (2.07, 7.46, 111.22 ppm; 5.21 A): 1 out of 4 assignments used, quality = 0.99: HB3 MET 31 + HE21 GLN 61 OK 99 100 100 99 3.1-5.1 5931=76, 5911/1.7=72...(7) HB2 PRO 56 - HE21 GLN 61 far 0 90 0 - 6.8-8.6 HG3 PRO 56 - HE21 GLN 61 far 0 87 0 - 7.9-9.8 HB2 GLU 59 - HE21 GLN 61 far 0 85 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 5911 from nnoeabs.peaks (2.06, 6.83, 111.22 ppm; 5.22 A): 1 out of 4 assignments used, quality = 0.94: HB3 MET 31 + HE22 GLN 61 OK 94 97 100 98 3.2-5.4 5910/1.7=72...(7) HG2 PRO 56 - HE22 GLN 61 far 0 78 0 - 5.8-9.3 HB2 PRO 56 - HE22 GLN 61 far 0 60 0 - 6.3-9.7 HB3 PRO 56 - HE22 GLN 61 far 0 63 0 - 7.8-10.8 Violated in 3 structures by 0.02 A. Peak 5912 from nnoeabs.peaks (1.96, 6.83, 111.22 ppm; 5.46 A): 3 out of 6 assignments used, quality = 0.95: HG LEU 57 + HE22 GLN 61 OK 74 99 75 100 4.6-6.4 2.1/4615=88, ~4988=66...(9) QE MET 31 + HE22 GLN 61 OK 65 65 100 100 3.6-5.6 5233/3.5=69, 4.3/5911=61...(9) HB2 MET 31 + HE22 GLN 61 OK 42 65 65 100 3.9-6.3 1.8/5911=87, ~5910=69...(8) HB2 LEU 64 - HE22 GLN 61 far 0 98 0 - 6.1-8.3 HG2 PRO 14 - HE22 GLN 61 far 0 78 0 - 9.0-26.2 HG3 PRO 14 - HE22 GLN 61 far 0 78 0 - 9.2-27.5 Violated in 0 structures by 0.00 A. Peak 5913 from nnoeabs.peaks (1.97, 7.47, 112.19 ppm; 5.48 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 79 + HE21 GLN 79 OK 100 100 100 100 2.4-4.6 4.4=100 HB3 GLN 79 + HE21 GLN 79 OK 65 65 100 100 2.2-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 5914 from nnoeabs.peaks (3.05, 8.04, 122.15 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.89: HB2 TYR 81 + H ARG 82 OK 89 89 100 100 2.1-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 5915 from nnoeabs.peaks (3.15, 8.20, 122.31 ppm; 5.51 A): 4 out of 12 assignments used, quality = 1.00: HD3 ARG 84 + H ARG 84 OK 100 100 100 100 2.5-5.6 6.2=70, 3.5/843=62...(15) HD2 ARG 84 + H ARG 84 OK 99 99 100 100 3.5-5.4 6.2=70, 3.5/843=62...(15) HD3 ARG 27 + H ALA 28 OK 51 72 75 94 4.9-6.6 3.5/3755=51, 3.5/3756=33...(9) HD2 ARG 27 + H ALA 28 OK 38 72 55 95 4.7-6.4 3.5/3755=51, 3.5/3756=33...(9) HD3 ARG 26 - H ALA 28 far 0 61 0 - 6.3-8.3 HD2 ARG 26 - H ALA 28 far 0 63 0 - 6.4-8.0 HD2 ARG 82 - H ARG 84 far 0 100 0 - 6.8-10.2 HD3 ARG 17 - H ALA 28 far 0 83 0 - 8.1-19.6 HD2 ARG 23 - H ALA 28 far 0 78 0 - 8.7-12.2 HD3 ARG 23 - H ALA 28 far 0 78 0 - 8.8-11.6 HD2 ARG 71 - H ALA 28 far 0 77 0 - 9.1-14.3 HD2 ARG 17 - H ALA 28 far 0 83 0 - 9.8-18.2 Violated in 0 structures by 0.00 A. Peak 5916 from nnoeabs.peaks (0.84, 8.27, 123.92 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 86 + H LEU 86 OK 100 100 100 100 2.1-4.7 4.8=100 QD1 ILE 89 - H LEU 86 far 0 65 0 - 7.0-11.8 QG2 ILE 89 - H LEU 86 far 0 100 0 - 7.3-12.3 Violated in 0 structures by 0.00 A. Peak 5919 from nnoeabs.peaks (0.85, 8.42, 121.83 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.76: QD2 LEU 86 + H GLU 87 OK 76 76 100 100 2.2-4.9 4.9=100 QG2 ILE 89 - H GLU 87 poor 19 93 20 - 3.6-9.6 Violated in 0 structures by 0.00 A. Peak 5921 from nnoeabs.peaks (2.23, 8.13, 115.78 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.95: HG3 GLU 87 + H THR 88 OK 82 85 100 96 2.3-5.4 4.0/402=87, 3.0/4032=43...(5) HG2 GLU 87 + H THR 88 OK 75 83 95 95 3.2-5.9 4.0/402=87, 3.0/4032=43...(5) Violated in 0 structures by 0.00 A. Peak 5922 from nnoeabs.peaks (3.79, 8.27, 122.13 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.99: HD2 PRO 14 + H LYS 13 OK 99 99 100 100 2.7-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 5923 from nnoeabs.peaks (1.89, 8.24, 125.71 ppm; 5.73 A): 1 out of 5 assignments used, quality = 1.00: HB2 MET 11 + H ALA 12 OK 100 100 100 100 2.2-4.4 4.1=100 HB2 GLN 91 - H VAL 90 poor 13 51 25 - 4.1-7.3 HB3 PRO 14 - H ALA 12 far 0 100 0 - 6.1-9.9 HB3 GLU 87 - H VAL 90 far 0 40 0 - 6.6-10.6 HB3 PRO 34 - H ALA 12 far 0 92 0 - 9.9-30.8 Violated in 0 structures by 0.00 A. Peak 5987 from nnoeabs.peaks (4.00, 8.00, 120.49 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.62: HA ARG 70 + H LYS 73 OK 62 100 100 62 3.3-4.0 15061/787=45...(4) HA ARG 66 - H LYS 73 far 0 71 0 - 8.4-9.5 Reference assignment not found: HA LYS 73 - H LYS 73 Violated in 1 structures by 0.00 A. Peak 6013 from nnoeabs.peaks (6.89, 7.55, 112.69 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 80 + HD21 ASN 80 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD21 ASN 80 + HD22 ASN 80 OK 100 100 100 100 1.7-1.7 1.7=100 H LEU 43 - HD22 ASN 80 far 0 71 0 - 7.2-16.4 Violated in 0 structures by 0.00 A. Peak 6016 from nnoeabs.peaks (7.55, 6.89, 112.69 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 80 + HD22 ASN 80 OK 100 100 100 100 1.7-1.7 1.7=100 H LEU 43 - HD22 ASN 80 far 0 71 0 - 7.2-16.4 Violated in 0 structures by 0.00 A. Peak 6017 from nnoeabs.peaks (2.70, 6.89, 112.69 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASN 80 + HD22 ASN 80 OK 100 100 100 100 3.4-3.8 3.5=100 HB2 ASN 80 - HD22 ASN 74 far 0 97 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 6018 from nnoeabs.peaks (2.70, 7.55, 112.69 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: HB2 ASN 80 + HD21 ASN 80 OK 100 100 100 100 2.1-3.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 6019 from nnoeabs.peaks (1.38, 7.55, 112.69 ppm; 5.42 A increased from 5.10 A): 1 out of 8 assignments used, quality = 0.83: QB ALA 77 + HD21 ASN 80 OK 83 98 100 85 3.6-5.5 5874/3.5=62, 5879/3.5=36...(4) HG3 LYS 73 - HD21 ASN 80 poor 20 100 20 - 4.0-10.3 HG2 LYS 83 - HD21 ASN 80 far 5 90 5 - 4.4-15.3 QB ALA 78 - HD21 ASN 80 far 0 100 0 - 5.7-8.1 HG2 LYS 75 - HD21 ASN 80 far 0 100 0 - 7.9-11.5 HG3 LYS 75 - HD21 ASN 80 far 0 100 0 - 8.9-12.5 QB ALA 16 - HD21 ASN 80 far 0 71 0 - 9.0-34.2 HG3 ARG 69 - HD21 ASN 80 far 0 99 0 - 9.5-15.0 Violated in 1 structures by 0.00 A. Peak 6020 from nnoeabs.peaks (0.92, 7.55, 112.69 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.90: QG2 VAL 76 + HD21 ASN 80 OK 90 100 100 90 2.0-4.7 6022/1.7=86, 5990/3.5=16...(4) QG1 VAL 76 - HD21 ASN 80 far 15 100 15 - 4.5-7.0 QG2 VAL 41 - HD21 ASN 80 far 0 89 0 - 6.6-11.5 QG2 ILE 40 - HD21 ASN 80 far 0 96 0 - 9.6-14.9 Violated in 1 structures by 0.00 A. Peak 6021 from nnoeabs.peaks (1.38, 6.89, 112.69 ppm; 6.10 A increased from 5.14 A): 2 out of 15 assignments used, quality = 0.96: QB ALA 77 + HD22 ASN 74 OK 87 94 95 98 4.2-6.4 6040/4.4=89, 5058/3.5=53...(4) QB ALA 77 + HD22 ASN 80 OK 68 98 70 99 2.9-6.9 6019/1.7=95, 5874/3.5=75...(4) HG3 LYS 75 - HD22 ASN 74 far 10 96 10 - 5.0-10.5 HG2 LYS 75 - HD22 ASN 74 far 5 96 5 - 5.4-10.6 HG2 LYS 83 - HD22 ASN 80 far 5 90 5 - 3.0-15.8 QB ALA 78 - HD22 ASN 74 lone 1 97 30 3 4.7-10.8 HG3 LYS 73 - HD22 ASN 80 lone 1 100 25 3 4.6-11.6 QB ALA 78 - HD22 ASN 80 far 0 100 0 - 6.6-9.2 HG3 LYS 73 - HD22 ASN 74 far 0 97 0 - 6.8-10.7 QB ALA 16 - HD22 ASN 80 far 0 71 0 - 7.6-34.0 HG2 LYS 75 - HD22 ASN 80 far 0 100 0 - 8.5-13.1 HG3 LYS 75 - HD22 ASN 80 far 0 100 0 - 8.6-14.2 HB3 ARG 69 - HD22 ASN 74 far 0 93 0 - 8.6-14.1 HG3 ARG 69 - HD22 ASN 80 far 0 99 0 - 9.5-16.0 HG2 LYS 85 - HD22 ASN 80 far 0 99 0 - 9.8-22.3 Violated in 0 structures by 0.00 A. Peak 6022 from nnoeabs.peaks (0.92, 6.89, 112.69 ppm; 4.34 A): 1 out of 10 assignments used, quality = 0.49: QG2 VAL 76 + HD22 ASN 80 OK 49 100 65 75 2.6-5.9 6020/1.7=70, 5990/3.5=13 QG1 VAL 76 - HD22 ASN 80 far 5 100 5 - 4.0-8.3 QG1 VAL 76 - HD22 ASN 74 far 0 97 0 - 6.4-9.5 QG2 VAL 41 - HD22 ASN 80 far 0 89 0 - 6.5-12.7 QG2 VAL 41 - HD22 ASN 74 far 0 83 0 - 6.6-10.4 QG2 VAL 76 - HD22 ASN 74 far 0 97 0 - 7.9-10.3 QD2 LEU 43 - HD22 ASN 80 far 0 65 0 - 8.8-16.2 QG2 ILE 40 - HD22 ASN 74 far 0 91 0 - 9.1-13.0 QG2 ILE 40 - HD22 ASN 80 far 0 96 0 - 9.2-15.9 HG12 ILE 68 - HD22 ASN 74 far 0 97 0 - 9.3-14.2 Violated in 9 structures by 0.46 A. 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 100 100 100 100 2.2-3.5 3.5=100 HB3 ASN 42 - HD21 ASN 80 far 0 99 0 - 8.6-15.3 HB3 ASN 74 - HD21 ASN 80 far 0 63 0 - 8.7-11.5 HB2 ASN 42 - HD21 ASN 80 far 0 100 0 - 9.0-15.5 Violated in 0 structures by 0.00 A. Peak 6024 from nnoeabs.peaks (2.76, 6.89, 112.69 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: HB3 ASN 80 + HD22 ASN 80 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 ASN 74 + HD22 ASN 74 OK 66 66 100 100 3.4-4.1 3.5=100 HB3 ASN 42 - HD22 ASN 80 far 0 100 0 - 7.0-15.7 HB2 ASN 42 - HD22 ASN 80 far 0 100 0 - 7.6-16.3 HB3 ASN 74 - HD22 ASN 80 far 0 71 0 - 8.5-13.2 HB3 ASN 80 - HD22 ASN 74 far 0 97 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 6039 from nnoeabs.peaks (4.62, 8.23, 126.87 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.97: * HA ASN 74 + H ALA 77 OK 97 100 100 97 3.0-4.9 6040/2.9=90, 3.0/5858=26...(6) HA ASN 80 - H ALA 77 far 0 99 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 6056 from nnoeabs.peaks (4.63, 8.31, 123.08 ppm; 5.17 A): 0 out of 1 assignment used, quality = 0.00: HA ASN 80 - H LYS 83 far 0 97 0 - 5.7-9.2 Violated in 20 structures by 2.30 A. Peak 6057 from nnoeabs.peaks (4.47, 8.20, 122.31 ppm; 5.33 A increased from 5.02 A): 1 out of 4 assignments used, quality = 0.70: HA ASP 24 + H ALA 28 OK 70 78 100 89 4.7-5.4 4157/4.3=56, 5383/4.6=44...(7) HA TYR 81 - H ARG 84 far 0 92 0 - 7.4-9.5 HA SER 22 - H ALA 28 far 0 50 0 - 8.9-9.7 HA PRO 14 - H ALA 28 far 0 65 0 - 9.9-24.7 Violated in 2 structures by 0.00 A. Peak 6063 from nnoeabs.peaks (2.04, 7.27, 119.22 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.98: HG2 PRO 44 + H ASP 47 OK 98 98 100 100 1.9-2.0 2.3/4431=75, 1.8/6064=70...(15) HB2 GLU 50 - H ASP 47 far 0 100 0 - 5.1-5.7 HB VAL 45 - H ASP 47 far 0 65 0 - 6.4-6.4 HB3 GLU 50 - H ASP 47 far 0 100 0 - 6.8-7.4 HB3 GLN 91 - H ASP 47 far 0 100 0 - 7.5-51.8 HD2 ARG 69 - H ASP 47 far 0 99 0 - 7.8-11.2 HD3 ARG 69 - H ASP 47 far 0 99 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 6064 from nnoeabs.peaks (2.14, 7.27, 119.22 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: HG3 PRO 44 + H ASP 47 OK 100 100 100 100 3.5-3.6 1.8/6063=80, 2.3/4431=80...(8) Violated in 0 structures by 0.00 A. Peak 6074 from nnoeabs.peaks (4.13, 8.03, 129.89 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 91 + H GLN 91 OK 100 100 100 100 2.3-2.9 2.9=100 HB THR 88 - H GLN 91 lone 1 93 25 3 6.2-9.9 Violated in 0 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (1.56, 7.24, 115.36 ppm; 5.34 A): 3 out of 4 assignments used, quality = 0.99: HG2 LYS 39 + H ILE 40 OK 93 93 100 100 3.5-5.5 2.9/129=94, 2.9/130=88...(8) HD3 LYS 39 + H ILE 40 OK 83 83 100 100 4.9-5.4 3.5/129=87, 3.5/130=81...(8) HD2 LYS 39 + H ILE 40 OK 44 81 55 100 4.9-6.1 3.5/129=87, 3.5/130=81...(8) HG LEU 64 - H ILE 40 far 0 78 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 6077 from nnoeabs.peaks (1.40, 7.24, 115.36 ppm; 5.41 A): 1 out of 5 assignments used, quality = 1.00: HG3 LYS 39 + H ILE 40 OK 100 100 100 100 4.3-5.0 2.9/129=94, 1837/3.6=91...(9) HG3 ARG 69 - H ILE 40 far 0 71 0 - 6.2-7.7 HB3 ARG 69 - H ILE 40 far 0 99 0 - 6.2-8.4 QB ALA 20 - H ILE 40 far 0 73 0 - 6.5-16.9 HG3 LYS 73 - H ILE 40 far 0 93 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 6078 from nnoeabs.peaks (4.08, 7.61, 112.60 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.88: HA ARG 71 + HD21 ASN 74 OK 88 100 100 89 2.5-5.0 16010/3.5=65...(3) Violated in 0 structures by 0.00 A. Peak 6079 from nnoeabs.peaks (7.08, 8.04, 122.15 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 81 + H ARG 82 OK 100 100 100 100 2.2-4.9 4.3=100 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (1.75, 7.71, 115.23 ppm; 5.96 A increased from 5.02 A): 3 out of 5 assignments used, quality = 0.97: HB ILE 33 + H MET 31 OK 85 85 100 100 5.5-6.2 3.2/5550=84...(6) HB2 LYS 32 + H MET 31 OK 72 73 100 98 5.5-5.7 4.0/910=95, 4.3/5544=72 HB3 LYS 32 + H MET 31 OK 33 73 45 98 6.2-6.4 4.0/910=95, 4.3/5544=72 HB3 ARG 17 - H MET 31 far 0 99 0 - 8.0-19.3 HG3 ARG 26 - H MET 31 far 0 100 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 6130 from nnoeabs.peaks (7.72, 7.27, 119.22 ppm; 5.21 A increased from 4.91 A): 1 out of 1 assignment used, quality = 1.00: H GLU 50 + H ASP 47 OK 100 100 100 100 4.9-5.0 4506/3.0=89, 922/4491=74...(7) Violated in 0 structures by 0.00 A. Peak 6138 from nnoeabs.peaks (1.66, 8.09, 121.69 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.93: HD3 LYS 75 + H LYS 75 OK 85 100 85 100 3.7-5.9 3.5/803=81, 5.9=63...(18) HD2 LYS 75 + H LYS 75 OK 55 100 55 100 3.9-5.9 3.5/803=81, 5.9=63...(17) Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (4.23, 8.28, 119.06 ppm; 3.86 A): 1 out of 5 assignments used, quality = 0.70: HA ALA 77 + H ASN 80 OK 70 100 100 70 2.9-3.9 5859/3.8=44...(5) HA ALA 78 - H ASN 80 poor 16 65 25 - 4.1-4.7 HA LYS 75 - H ASN 80 far 0 97 0 - 6.8-8.9 HA LYS 83 - H ASN 80 far 0 97 0 - 6.8-11.6 HA LYS 85 - H ASN 80 far 0 100 0 - 9.5-18.2 Violated in 1 structures by 0.00 A. 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; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 14 - HA MET 11 far 0 100 0 - 6.4-12.3 Violated in 0 structures by 0.00 A. Peak 960 from cnoeabs.peaks (2.01, 4.38, 55.13 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 PRO 14 - HA MET 11 far 0 78 0 - 7.6-12.0 HG2 PRO 14 - HA MET 11 far 0 78 0 - 8.6-11.9 Violated in 0 structures by 0.00 A. Peak 963 from cnoeabs.peaks (4.38, 1.88, 32.87 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 14 - HB2 MET 11 far 0 78 0 - 7.4-12.7 HG2 PRO 14 - HB2 MET 11 far 0 78 0 - 8.7-12.3 HB3 PRO 56 - HB2 MET 11 far 0 71 0 - 9.4-36.2 Violated in 0 structures by 0.00 A. Peak 966 from cnoeabs.peaks (2.45, 1.88, 32.87 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 967 from cnoeabs.peaks (2.39, 1.88, 32.87 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 968 from cnoeabs.peaks (4.38, 2.01, 32.87 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (1.88, 2.01, 32.87 ppm; 2.99 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 91 - HB VAL 90 far 0 58 0 - 3.4-7.5 HB3 PRO 14 - HB3 MET 11 far 0 100 0 - 5.5-13.2 HB3 GLU 87 - HB VAL 90 far 0 42 0 - 7.1-12.7 HB3 PRO 34 - HB3 MET 11 far 0 97 0 - 9.1-31.6 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 972 from cnoeabs.peaks (2.39, 2.01, 32.87 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 973 from cnoeabs.peaks (4.38, 2.45, 31.51 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 100 100 2.3-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 974 from cnoeabs.peaks (1.88, 2.45, 31.51 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 PRO 14 - HG2 MET 11 far 5 100 5 - 3.7-13.5 Violated in 0 structures by 0.00 A. Peak 975 from cnoeabs.peaks (2.01, 2.45, 31.51 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 14 - HG2 MET 11 far 0 78 0 - 5.1-13.5 HG2 PRO 14 - HG2 MET 11 far 0 78 0 - 6.4-13.4 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 978 from cnoeabs.peaks (4.38, 2.39, 31.51 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 979 from cnoeabs.peaks (1.88, 2.39, 31.51 ppm; 4.68 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PRO 14 - HG3 MET 11 far 5 100 5 - 3.5-13.7 HB2 ARG 66 - HB VAL 65 far 0 98 0 - 5.7-5.8 HB ILE 68 - HB VAL 65 far 0 95 0 - 5.7-5.9 HG12 ILE 40 - HB VAL 65 far 0 83 0 - 6.6-7.3 HB2 LYS 39 - HB VAL 65 far 0 57 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (2.01, 2.39, 31.51 ppm; 4.91 A): 2 out of 8 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 ARG 66 + HB VAL 65 OK 94 100 100 95 3.2-3.7 743/273=82, ~6106=52...(5) HG3 PRO 14 - HG3 MET 11 far 4 78 5 - 4.7-13.1 HG2 PRO 14 - HG3 MET 11 far 0 78 0 - 5.9-12.9 HD3 ARG 69 - HB VAL 65 far 0 73 0 - 6.6-9.5 QE MET 31 - HB VAL 65 far 0 88 0 - 6.9-7.6 HD2 ARG 69 - HB VAL 65 far 0 73 0 - 6.9-9.1 HB3 PRO 56 - HG3 MET 11 far 0 71 0 - 9.6-35.9 Violated in 0 structures by 0.00 A. Peak 981 from cnoeabs.peaks (2.45, 2.39, 31.51 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 983 from cnoeabs.peaks (8.24, 4.26, 52.27 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 12 + HA ALA 12 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 32 - HA ALA 12 far 0 100 0 - 6.6-31.1 QB ALA 16 - HA ALA 12 far 0 65 0 - 7.4-12.2 QG2 THR 58 - HA ALA 12 far 0 83 0 - 8.0-27.4 Violated in 0 structures by 0.00 A. Peak 986 from cnoeabs.peaks (8.24, 1.33, 19.07 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 12 + QB ALA 12 OK 100 100 100 100 2.2-2.8 2.9=100 H ALA 28 - QB ALA 16 far 0 37 0 - 7.2-16.2 H SER 22 - QB ALA 16 far 0 34 0 - 8.4-16.2 H ALA 12 - QB ALA 16 far 0 65 0 - 9.3-13.4 H LEU 86 - QB ALA 16 far 0 37 0 - 9.7-50.8 Violated in 0 structures by 0.00 A. Peak 987 from cnoeabs.peaks (4.26, 1.33, 19.07 ppm; 3.45 A): 1 out of 11 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 100 100 2.1-2.1 2.1=100 HA THR 15 - QB ALA 16 far 3 58 5 - 3.7-5.0 HA ARG 17 - QB ALA 16 far 0 47 0 - 3.8-4.4 HA GLU 19 - QB ALA 16 far 0 65 0 - 4.2-9.6 HA THR 15 - QB ALA 12 far 0 96 0 - 6.8-9.0 HA LYS 39 - QB ALA 16 far 0 62 0 - 7.0-22.6 HA ASP 38 - QB ALA 16 far 0 46 0 - 7.2-21.3 HA ALA 20 - QB ALA 16 far 0 65 0 - 7.3-12.1 HA ALA 12 - QB ALA 16 far 0 65 0 - 7.4-12.2 HA ARG 17 - QB ALA 12 far 0 83 0 - 9.3-14.4 HA LYS 83 - QB ALA 16 far 0 55 0 - 9.6-43.5 Violated in 0 structures by 0.00 A. Peak 988 from cnoeabs.peaks (1.33, 1.33, 19.07 ppm; diagonal): 2 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; 5.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 13 - HA LEU 43 far 0 92 0 - 8.7-39.9 Violated in 0 structures by 0.00 A. 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; 3.61 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 13 + HA LYS 13 OK 100 100 100 100 2.4-2.8 3.0=100 HB3 LYS 39 - HA LEU 43 far 0 90 0 - 7.0-7.8 HB2 PRO 34 - HA LYS 13 far 0 97 0 - 7.2-28.4 HB3 LYS 32 - HA LYS 13 far 0 90 0 - 7.3-25.5 HB2 LYS 13 - HA LEU 43 far 0 92 0 - 8.4-37.4 HB2 LYS 32 - HA LYS 13 far 0 90 0 - 8.8-25.9 HB2 ARG 69 - HA LEU 43 far 0 84 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (1.68, 4.54, 54.13 ppm; 4.06 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 13 + HA LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 13 + HA LYS 13 OK 49 90 55 98 2.2-5.4 5.4=43, 2.9/994=38...(35) HD2 LYS 13 + HA LYS 13 OK 31 90 35 97 2.1-5.5 5.4=43, 2.9/994=38...(35) HD3 LYS 13 - HA LEU 43 far 0 79 0 - 6.2-39.0 HD2 LYS 13 - HA LEU 43 far 0 79 0 - 6.3-37.6 HB3 LYS 13 - HA LEU 43 far 0 92 0 - 9.7-38.9 Violated in 0 structures by 0.00 A. Peak 993 from cnoeabs.peaks (1.42, 4.54, 54.13 ppm; 3.63 A): 2 out of 7 assignments used, quality = 0.99: * HG2 LYS 13 + HA LYS 13 OK 97 100 100 97 2.2-3.8 3.9=81, 470/3.0=44...(13) HB3 LEU 43 + HA LEU 43 OK 82 82 100 100 2.5-2.6 3.0=100 HG3 LYS 39 - HA LEU 43 far 0 73 0 - 4.8-5.5 QB ALA 30 - HA LYS 13 far 0 78 0 - 8.2-22.8 HG2 LYS 13 - HA LEU 43 far 0 92 0 - 8.2-40.1 HB3 ARG 69 - HA LEU 43 far 0 50 0 - 8.3-10.7 HG3 LYS 39 - HA LYS 13 far 0 85 0 - 9.1-35.4 Violated in 0 structures by 0.00 A. Peak 994 from cnoeabs.peaks (1.46, 4.54, 54.13 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.98: * HG3 LYS 13 + HA LYS 13 OK 93 100 95 98 2.2-4.2 3.9=85, 471/3.0=43...(13) HB3 LEU 43 + HA LEU 43 OK 73 73 100 100 2.5-2.6 3.0=100 HG2 LYS 73 - HA LEU 43 far 0 67 0 - 7.9-9.9 QB ALA 30 - HA LYS 13 far 0 97 0 - 8.2-22.8 HG3 LYS 13 - HA LEU 43 far 0 92 0 - 8.4-39.8 Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (1.67, 4.54, 54.13 ppm; 4.71 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 13 + HA LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 HD3 LYS 13 + HA LYS 13 OK 90 100 90 100 2.2-5.4 5.4=66, 2.9/994=46...(36) * HD2 LYS 13 + HA LYS 13 OK 85 100 85 100 2.1-5.5 5.4=66, 2.9/994=46...(36) HD3 LYS 13 - HA LEU 43 far 0 92 0 - 6.2-39.0 HD2 LYS 13 - HA LEU 43 far 0 92 0 - 6.3-37.6 HB3 LYS 13 - HA LEU 43 far 0 79 0 - 9.7-38.9 Violated in 0 structures by 0.00 A. Peak 999 from cnoeabs.peaks (8.27, 1.79, 32.38 ppm; 4.52 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 13 + HB2 LYS 13 OK 100 100 100 100 3.1-4.0 3.9=100 H LEU 86 + HB2 LYS 85 OK 81 81 100 100 2.2-4.2 4.6=95, 385/3.0=88...(5) H LEU 86 - HB2 LYS 83 far 4 85 5 - 4.5-10.1 H ASN 80 - HB2 LYS 83 far 0 83 0 - 6.1-13.4 H ASN 80 - HB3 LYS 73 far 0 90 0 - 7.5-10.6 H ASN 80 - HB3 LYS 75 far 0 86 0 - 8.2-10.6 H ASN 80 - HB2 LYS 85 far 0 79 0 - 8.6-19.4 H VAL 90 - HB2 LYS 85 far 0 82 0 - 9.4-16.8 Violated in 0 structures by 0.00 A. Peak 1000 from cnoeabs.peaks (4.54, 1.79, 32.38 ppm; 4.68 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.4-2.8 3.0=100 HA LEU 43 - HB3 LYS 39 far 0 97 0 - 7.0-7.8 HA PRO 44 - HB3 LYS 73 far 0 57 0 - 7.9-10.2 HA LEU 43 - HB2 LYS 13 far 0 99 0 - 8.4-37.4 HA PRO 44 - HB2 LYS 85 far 0 48 0 - 10.0-32.6 Violated in 0 structures by 0.00 A. 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): 2 out of 14 assignments used, quality = 1.00: * HB3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 75 + HB3 LYS 75 OK 21 76 45 63 2.2-4.0 3.5=32, 6138/4.0=5...(22) HD2 LYS 75 - HB3 LYS 75 poor 19 76 25 - 2.3-4.2 HD2 LYS 13 - HB2 LYS 13 poor 18 90 35 58 2.1-4.2 3.5=32, 1040/3.0=5...(17) HD3 LYS 13 - HB2 LYS 13 poor 15 90 30 57 2.1-3.8 3.5=32, 1050/3.0=5...(17) HB2 ARG 82 - HB2 LYS 83 far 0 79 0 - 4.0-6.4 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 6.1-7.9 HB2 ARG 82 - HB2 LYS 85 far 0 75 0 - 6.7-12.9 HD3 LYS 75 - HB3 LYS 73 far 0 80 0 - 7.7-10.5 HG2 ARG 70 - HB3 LYS 75 far 0 54 0 - 8.0-11.5 HB3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.0-32.9 HD2 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.3-31.5 HD2 LYS 75 - HB3 LYS 73 far 0 80 0 - 8.5-10.7 HD3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 1003 from cnoeabs.peaks (1.42, 1.79, 32.38 ppm; 3.13 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 100 100 2.4-3.0 2.9=100 HB3 ARG 69 - HB3 LYS 73 far 0 52 0 - 6.6-8.6 HB3 LEU 43 - HB3 LYS 39 far 0 91 0 - 7.1-7.5 HG3 LYS 39 - HB2 LYS 13 far 0 85 0 - 8.5-33.2 HG12 ILE 33 - HB2 LYS 13 far 0 81 0 - 9.0-25.5 HG2 LYS 13 - HB3 LYS 39 far 0 99 0 - 9.1-33.6 QB ALA 30 - HB2 LYS 13 far 0 78 0 - 9.5-22.7 HG12 ILE 33 - HB3 LYS 39 far 0 78 0 - 9.7-11.4 HB3 ARG 69 - HB3 LYS 39 far 0 57 0 - 9.8-12.1 HB3 ARG 69 - HB3 LYS 75 far 0 49 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (1.46, 1.79, 32.38 ppm; 3.29 A): 3 out of 10 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 69 69 100 100 2.5-3.0 2.9=100 HG3 LYS 85 - HB2 LYS 83 far 0 87 0 - 5.0-10.8 HG2 LYS 73 - HB3 LYS 75 far 0 66 0 - 6.8-9.6 HB3 LEU 43 - HB3 LYS 39 far 0 82 0 - 7.1-7.5 HG3 LYS 13 - HB3 LYS 39 far 0 99 0 - 7.6-33.9 HG12 ILE 33 - HB2 LYS 13 far 0 96 0 - 9.0-25.5 QB ALA 30 - HB2 LYS 13 far 0 97 0 - 9.5-22.7 HG12 ILE 33 - HB3 LYS 39 far 0 93 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1005 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 4 out of 12 assignments used, quality = 0.97: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 * HD2 LYS 13 + HB2 LYS 13 OK 43 100 65 66 2.1-4.2 3.5=38, 1050/3.0=7...(19) HD3 LYS 75 + HB3 LYS 75 OK 36 91 55 73 2.2-4.0 3.5=38, 3072/3.0=8...(24) HD3 LYS 13 + HB2 LYS 13 OK 23 100 35 66 2.1-3.8 3.5=38, 1050/3.0=7...(19) HD2 LYS 75 - HB3 LYS 75 poor 20 91 30 72 2.3-4.2 3.5=38, 3072/3.0=8...(24) HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.0-6.4 HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 6.7-12.9 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 7.7-10.5 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.0-32.9 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.3-31.5 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 8.5-10.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (1.67, 1.79, 32.38 ppm; 2.54 A): 4 out of 12 assignments used, quality = 0.97: HB3 LYS 13 + HB2 LYS 13 OK 90 90 100 100 1.8-1.8 1.8=100 HD2 LYS 13 + HB2 LYS 13 OK 43 100 65 66 2.1-4.2 3.5=38, 1050/3.0=7...(19) HD3 LYS 75 + HB3 LYS 75 OK 36 91 55 73 2.2-4.0 3.5=38, 3072/3.0=8...(24) * HD3 LYS 13 + HB2 LYS 13 OK 23 100 35 66 2.1-3.8 3.5=38, 1050/3.0=7...(19) HD2 LYS 75 - HB3 LYS 75 poor 20 91 30 72 2.3-4.2 3.5=38, 3072/3.0=8...(24) HB2 ARG 82 - HB2 LYS 83 far 0 47 0 - 4.0-6.4 HB2 ARG 82 - HB2 LYS 85 far 0 44 0 - 6.7-12.9 HD3 LYS 75 - HB3 LYS 73 far 0 95 0 - 7.7-10.5 HB3 LYS 13 - HB3 LYS 39 far 0 88 0 - 8.0-32.9 HD2 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.3-31.5 HD2 LYS 75 - HB3 LYS 73 far 0 95 0 - 8.5-10.7 HD3 LYS 13 - HB3 LYS 39 far 0 99 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 1009 from cnoeabs.peaks (8.27, 1.68, 32.38 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-3.7 3.9=100 Violated in 0 structures by 0.00 A. Peak 1010 from cnoeabs.peaks (4.54, 1.68, 32.38 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 43 - HB3 LYS 13 far 0 99 0 - 9.7-38.9 Violated in 0 structures by 0.00 A. Peak 1011 from cnoeabs.peaks (1.79, 1.68, 32.38 ppm; 2.48 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 32 - HB3 LYS 13 far 0 90 0 - 5.2-25.8 HB2 PRO 34 - HB3 LYS 13 far 0 97 0 - 6.0-27.4 HB2 LYS 32 - HB3 LYS 13 far 0 90 0 - 6.6-26.4 HB3 LYS 39 - HB3 LYS 13 far 0 99 0 - 8.0-32.9 HB ILE 33 - HB3 LYS 13 far 0 81 0 - 8.8-25.6 Violated in 0 structures by 0.00 A. 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; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 30 - HB3 LYS 13 far 0 78 0 - 9.0-23.8 HG12 ILE 33 - HB3 LYS 13 far 0 81 0 - 9.5-26.9 Violated in 0 structures by 0.00 A. Peak 1014 from cnoeabs.peaks (1.46, 1.68, 32.38 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 30 - HB3 LYS 13 far 0 97 0 - 9.0-23.8 HG12 ILE 33 - HB3 LYS 13 far 0 96 0 - 9.5-26.9 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-3.8 3.9=100 HA LEU 43 - HG2 LYS 13 far 0 99 0 - 8.2-40.1 Violated in 0 structures by 0.00 A. Peak 1021 from cnoeabs.peaks (1.79, 1.42, 24.46 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 32 - HG2 LYS 13 far 5 90 5 - 3.7-25.9 HB2 LYS 32 - HG2 LYS 13 far 0 90 0 - 5.4-26.3 HB2 PRO 34 - HG2 LYS 13 far 0 97 0 - 7.6-27.4 HB ILE 33 - HG2 LYS 13 far 0 81 0 - 8.6-26.6 HB3 LYS 39 - HG2 LYS 13 far 0 99 0 - 9.1-33.6 Violated in 0 structures by 0.00 A. Peak 1022 from cnoeabs.peaks (1.68, 1.42, 24.46 ppm; 3.28 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 33 - HG2 LYS 13 far 0 96 0 - 8.9-26.2 QB ALA 30 - HG2 LYS 13 far 0 97 0 - 9.7-23.8 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 3.14 A increased from 2.96 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (1.67, 1.42, 24.46 ppm; 3.14 A increased from 2.96 A): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 13 + HG2 LYS 13 OK 90 90 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (2.97, 1.42, 24.46 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.1 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 32 - HG2 LYS 13 far 0 93 0 - 6.2-29.6 HE3 LYS 32 - HG2 LYS 13 far 0 95 0 - 7.4-30.3 HE2 LYS 39 - HG2 LYS 13 far 0 97 0 - 9.1-35.2 HB3 TYR 55 - HG2 LYS 13 far 0 63 0 - 9.4-28.2 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (2.96, 1.42, 24.46 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.2 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.1 3.8=100 HE2 LYS 32 - HG2 LYS 13 far 0 95 0 - 6.2-29.6 HE3 LYS 32 - HG2 LYS 13 far 0 96 0 - 7.4-30.3 HE2 LYS 39 - HG2 LYS 13 far 0 97 0 - 9.1-35.2 HB3 TYR 55 - HG2 LYS 13 far 0 65 0 - 9.4-28.2 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (4.54, 1.46, 24.46 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-4.2 3.9=100 HA PRO 44 - HG2 LYS 73 far 0 43 0 - 5.4-7.8 HA LEU 43 - HG2 LYS 73 far 0 73 0 - 7.9-9.9 HA LEU 43 - HG3 LYS 13 far 0 99 0 - 8.4-39.8 Violated in 0 structures by 0.00 A. Peak 1031 from cnoeabs.peaks (1.79, 1.46, 24.46 ppm; 3.29 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 85 + HG3 LYS 85 OK 92 92 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 69 69 100 100 2.5-3.0 2.9=100 HB3 ARG 84 - HG3 LYS 85 far 0 92 0 - 4.0-8.3 HB3 LYS 32 - HG3 LYS 13 far 0 90 0 - 4.8-24.7 HB2 LYS 83 - HG3 LYS 85 far 0 96 0 - 5.0-10.8 HB3 ARG 82 - HG3 LYS 85 far 0 70 0 - 5.5-13.7 HB2 ARG 69 - HG2 LYS 73 far 0 68 0 - 5.6-8.5 HB2 LYS 32 - HG3 LYS 13 far 0 90 0 - 6.6-25.2 HB3 LYS 75 - HG2 LYS 73 far 0 77 0 - 6.8-9.6 HB3 LYS 39 - HG3 LYS 13 far 0 99 0 - 7.6-33.9 HB2 PRO 34 - HG3 LYS 13 far 0 97 0 - 7.9-26.8 HB ILE 33 - HG3 LYS 13 far 0 81 0 - 8.7-25.4 Violated in 0 structures by 0.00 A. Peak 1032 from cnoeabs.peaks (1.68, 1.46, 24.46 ppm; 3.38 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.3-3.0 2.9=100 HB2 ARG 82 - HG3 LYS 85 far 0 92 0 - 5.1-13.6 HG2 ARG 70 - HG2 LYS 73 far 0 43 0 - 6.1-9.6 HD3 LYS 75 - HG2 LYS 73 far 0 62 0 - 8.4-11.3 HD2 LYS 75 - HG2 LYS 73 far 0 62 0 - 8.8-12.4 HG3 ARG 66 - HG2 LYS 73 far 0 67 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (1.42, 1.46, 24.46 ppm; 2.40 A): 1 out of 6 assignments used, quality = 1.00: * HG2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 69 - HG2 LYS 73 far 0 39 0 - 5.1-7.9 HB3 LEU 43 - HG2 LYS 73 far 0 67 0 - 8.2-10.2 HG3 LYS 39 - HG3 LYS 13 far 0 85 0 - 8.9-35.6 HG12 ILE 33 - HG3 LYS 13 far 0 81 0 - 9.2-25.0 QB ALA 30 - HG3 LYS 13 far 0 78 0 - 10.0-23.1 Violated in 0 structures by 0.00 A. 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; 3.07 A increased from 2.89 A): 3 out of 6 assignments used, quality = 1.00: * HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 5.1-13.6 HD3 LYS 75 - HG2 LYS 73 far 0 77 0 - 8.4-11.3 HD2 LYS 75 - HG2 LYS 73 far 0 77 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 1036 from cnoeabs.peaks (1.67, 1.46, 24.46 ppm; 3.07 A increased from 2.89 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 13 + HG3 LYS 13 OK 90 90 100 100 2.2-3.0 3.0=100 HB2 ARG 82 - HG3 LYS 85 far 0 57 0 - 5.1-13.6 HD3 LYS 75 - HG2 LYS 73 far 0 77 0 - 8.4-11.3 HD2 LYS 75 - HG2 LYS 73 far 0 77 0 - 8.8-12.4 Violated in 0 structures by 0.00 A. Peak 1037 from cnoeabs.peaks (2.97, 1.46, 24.46 ppm; 3.81 A): 4 out of 11 assignments used, quality = 1.00: HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=100 * HE2 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.3-4.2 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 67 67 100 100 2.1-4.0 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 62 65 95 100 2.5-4.2 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 0 93 0 - 5.5-28.3 HE3 LYS 32 - HG3 LYS 13 far 0 95 0 - 7.3-29.1 HB3 TYR 81 - HG3 LYS 85 far 0 93 0 - 7.8-17.1 HE2 LYS 39 - HG3 LYS 13 far 0 97 0 - 8.1-35.0 HE2 LYS 75 - HG2 LYS 73 far 0 75 0 - 8.5-12.8 HE3 LYS 75 - HG2 LYS 73 far 0 74 0 - 8.8-13.1 HE3 LYS 39 - HG3 LYS 13 far 0 96 0 - 8.9-35.9 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (2.96, 1.46, 24.46 ppm; 3.81 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 95 100 95 100 2.3-4.2 3.8=100 HE2 LYS 73 + HG2 LYS 73 OK 68 68 100 100 2.1-4.0 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 63 67 95 100 2.5-4.2 3.7=100 HE2 LYS 32 - HG3 LYS 13 far 0 95 0 - 5.5-28.3 HE3 LYS 32 - HG3 LYS 13 far 0 96 0 - 7.3-29.1 HB3 TYR 81 - HG3 LYS 85 far 0 92 0 - 7.8-17.1 HE2 LYS 39 - HG3 LYS 13 far 0 97 0 - 8.1-35.0 HE2 LYS 75 - HG2 LYS 73 far 0 75 0 - 8.5-12.8 HE3 LYS 75 - HG2 LYS 73 far 0 75 0 - 8.8-13.1 HE3 LYS 39 - HG3 LYS 13 far 0 95 0 - 8.9-35.9 Violated in 0 structures by 0.00 A. Peak 1040 from cnoeabs.peaks (4.54, 1.67, 28.78 ppm; 4.89 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 13 + HD3 LYS 13 OK 95 100 95 100 2.2-5.4 5.4=74, 994/2.9=48...(36) * HA LYS 13 + HD2 LYS 13 OK 95 100 95 100 2.1-5.5 5.4=74, 994/2.9=48...(36) HA LEU 43 - HD3 LYS 13 far 0 99 0 - 6.2-39.0 HA LEU 43 - HD2 LYS 13 far 0 99 0 - 6.3-37.6 HA PRO 44 - HD3 LYS 13 far 0 65 0 - 9.4-42.5 HA PRO 44 - HD2 LYS 13 far 0 65 0 - 9.9-41.1 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.73 A increased from 3.51 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 95 100 95 100 2.3-4.2 3.5=100 * HB2 LYS 13 + HD2 LYS 13 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 LYS 32 - HD3 LYS 13 far 5 90 5 - 2.6-25.4 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 4.1-27.2 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 4.3-24.6 HB2 PRO 34 - HD2 LYS 13 far 0 97 0 - 5.7-24.9 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 5.8-26.4 HB2 PRO 34 - HD3 LYS 13 far 0 97 0 - 6.2-26.5 HB ILE 33 - HD2 LYS 13 far 0 81 0 - 6.2-25.8 HB ILE 33 - HD3 LYS 13 far 0 81 0 - 6.4-26.6 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 7.7-10.5 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 8.3-31.5 HB3 LYS 73 - HD2 LYS 75 far 0 96 0 - 8.5-10.7 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. 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; 2.99 A increased from 2.82 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 33 - HD3 LYS 13 far 0 81 0 - 6.7-28.0 HG3 LYS 39 - HD2 LYS 13 far 0 85 0 - 6.7-33.2 HG12 ILE 33 - HD2 LYS 13 far 0 81 0 - 7.1-27.2 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 7.5-34.7 HB3 LEU 43 - HD2 LYS 13 far 0 93 0 - 8.0-36.5 HB3 LEU 43 - HD3 LYS 13 far 0 93 0 - 8.3-37.9 QB ALA 30 - HD3 LYS 13 far 0 78 0 - 8.7-25.0 QB ALA 30 - HD2 LYS 13 far 0 78 0 - 9.4-24.7 Violated in 0 structures by 0.00 A. Peak 1044 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 3.12 A increased from 2.77 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 33 - HD3 LYS 13 far 0 96 0 - 6.7-28.0 HG12 ILE 33 - HD2 LYS 13 far 0 96 0 - 7.1-27.2 HB3 LEU 43 - HD2 LYS 13 far 0 85 0 - 8.0-36.5 HB3 LEU 43 - HD3 LYS 13 far 0 85 0 - 8.3-37.9 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 8.4-11.3 QB ALA 30 - HD3 LYS 13 far 0 97 0 - 8.7-25.0 HG2 LYS 73 - HD2 LYS 75 far 0 78 0 - 8.8-12.4 QB ALA 30 - HD2 LYS 13 far 0 97 0 - 9.4-24.7 HB3 LEU 57 - HD3 LYS 13 far 0 96 0 - 9.8-32.9 Violated in 0 structures by 0.00 A. 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; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) * HE2 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.3-3.0 2.9=81, 3142/1.8=8...(17) HE3 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.4-3.0 2.9=81, 3143/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 99 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 90 99 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 63 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 63 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 96 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 96 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 93 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1048 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) * HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 75 + HD3 LYS 75 OK 91 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) HE3 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.4-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 91 99 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 65 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 65 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 94 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 94 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 94 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1050 from cnoeabs.peaks (4.54, 1.67, 28.78 ppm; 4.89 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 13 + HD3 LYS 13 OK 95 100 95 100 2.2-5.4 5.4=74, 994/2.9=48...(36) HA LYS 13 + HD2 LYS 13 OK 95 100 95 100 2.1-5.5 5.4=74, 994/2.9=48...(36) HA LEU 43 - HD3 LYS 13 far 0 99 0 - 6.2-39.0 HA LEU 43 - HD2 LYS 13 far 0 99 0 - 6.3-37.6 HA PRO 44 - HD3 LYS 13 far 0 65 0 - 9.4-42.5 HA PRO 44 - HD2 LYS 13 far 0 65 0 - 9.9-41.1 Violated in 0 structures by 0.00 A. Peak 1051 from cnoeabs.peaks (1.79, 1.67, 28.78 ppm; 3.73 A increased from 3.51 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-4.0 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 95 100 95 100 2.3-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 LYS 32 - HD3 LYS 13 far 5 90 5 - 2.6-25.4 HB2 LYS 32 - HD3 LYS 13 far 0 90 0 - 4.1-27.2 HB3 LYS 32 - HD2 LYS 13 far 0 90 0 - 4.3-24.6 HB2 PRO 34 - HD2 LYS 13 far 0 97 0 - 5.7-24.9 HB2 LYS 32 - HD2 LYS 13 far 0 90 0 - 5.8-26.4 HB2 PRO 34 - HD3 LYS 13 far 0 97 0 - 6.2-26.5 HB ILE 33 - HD2 LYS 13 far 0 81 0 - 6.2-25.8 HB ILE 33 - HD3 LYS 13 far 0 81 0 - 6.4-26.6 HB3 LYS 73 - HD3 LYS 75 far 0 96 0 - 7.7-10.5 HB3 LYS 39 - HD2 LYS 13 far 0 99 0 - 8.3-31.5 HB3 LYS 73 - HD2 LYS 75 far 0 96 0 - 8.5-10.7 HB3 LYS 39 - HD3 LYS 13 far 0 99 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. 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; 2.99 A increased from 2.82 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 33 - HD3 LYS 13 far 0 81 0 - 6.7-28.0 HG3 LYS 39 - HD2 LYS 13 far 0 85 0 - 6.7-33.2 HG12 ILE 33 - HD2 LYS 13 far 0 81 0 - 7.1-27.2 HG3 LYS 39 - HD3 LYS 13 far 0 85 0 - 7.5-34.7 HB3 LEU 43 - HD2 LYS 13 far 0 93 0 - 8.0-36.5 HB3 LEU 43 - HD3 LYS 13 far 0 93 0 - 8.3-37.9 QB ALA 30 - HD3 LYS 13 far 0 78 0 - 8.7-25.0 QB ALA 30 - HD2 LYS 13 far 0 78 0 - 9.4-24.7 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.46, 1.67, 28.78 ppm; 3.12 A increased from 2.77 A): 2 out of 11 assignments used, quality = 1.00: HG3 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-3.0 2.9=100 HG12 ILE 33 - HD3 LYS 13 far 0 96 0 - 6.7-28.0 HG12 ILE 33 - HD2 LYS 13 far 0 96 0 - 7.1-27.2 HB3 LEU 43 - HD2 LYS 13 far 0 85 0 - 8.0-36.5 HB3 LEU 43 - HD3 LYS 13 far 0 85 0 - 8.3-37.9 HG2 LYS 73 - HD3 LYS 75 far 0 78 0 - 8.4-11.3 QB ALA 30 - HD3 LYS 13 far 0 97 0 - 8.7-25.0 HG2 LYS 73 - HD2 LYS 75 far 0 78 0 - 8.8-12.4 QB ALA 30 - HD2 LYS 13 far 0 97 0 - 9.4-24.7 HB3 LEU 57 - HD3 LYS 13 far 0 96 0 - 9.8-32.9 Violated in 0 structures by 0.00 A. 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; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) * HE2 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.3-3.0 2.9=81, 3142/1.8=8...(17) HE3 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.4-3.0 2.9=81, 3143/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 99 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 90 99 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 93 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 95 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 93 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 96 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 63 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 95 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 63 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 96 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 96 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 96 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 93 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 92 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1058 from cnoeabs.peaks (2.96, 1.67, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: * HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 75 + HD3 LYS 75 OK 91 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) HE3 LYS 75 + HD3 LYS 75 OK 91 99 100 92 2.4-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 91 99 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 95 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 97 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 96 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 95 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 95 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 97 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 65 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 96 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 65 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 95 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 94 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 94 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 94 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 93 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (1.79, 2.97, 41.89 ppm; 3.47 A): 9 out of 46 assignments used, quality = 0.95: HB3 LYS 73 + HE2 LYS 73 OK 33 82 45 88 2.2-4.9 4.7=41, ~3020=19...(24) HB2 LYS 32 + HE3 LYS 32 OK 30 78 40 97 2.6-5.1 4.6=44, 2.9/1638=20...(43) HB3 LYS 32 + HE2 LYS 32 OK 30 76 40 97 3.3-5.1 4.6=44, 2.9/1638=22...(43) HB3 LYS 75 + HE2 LYS 75 OK 30 97 35 87 2.2-5.4 5.0=34, 3093/2.9=14...(22) HB3 LYS 73 + HE3 LYS 73 OK 29 81 40 89 2.1-4.9 4.7=41, ~3020=19...(24) HB3 LYS 32 + HE3 LYS 32 OK 27 78 35 97 2.3-5.1 4.6=44, 2.9/1638=20...(43) * HB2 LYS 13 + HE2 LYS 13 OK 26 100 30 87 2.7-5.4 5.2=29, 3.0/1073=15...(21) HB3 LYS 39 + HE3 LYS 39 OK 25 90 30 91 2.5-4.5 4.7=41, ~1884=18...(22) HB3 LYS 39 + HE2 LYS 39 OK 21 92 25 92 2.3-4.5 4.7=41, ~1884=18...(22) HB2 LYS 13 - HE3 LYS 13 poor 20 100 20 - 2.2-5.5 HB2 LYS 32 - HE2 LYS 32 poor 19 76 25 - 2.0-4.8 HB3 LYS 75 - HE3 LYS 75 far 14 97 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 5 90 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 81 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 63 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 79 0 - 6.4-11.0 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 90 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 81 0 - 7.0-26.7 HB2 PRO 34 - HE3 LYS 13 far 0 97 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 90 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.9-11.6 HB2 PRO 34 - HE3 LYS 39 far 0 87 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 88 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 68 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 97 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 86 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 95 0 - 8.2-32.6 HB ILE 33 - HE2 LYS 32 far 0 67 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 90 0 - 8.7-11.5 HB2 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 85 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 99 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 85 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 69 0 - 9.4-11.5 HB2 LYS 85 - HE3 LYS 73 far 0 79 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 62 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 76 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 99 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1062 from cnoeabs.peaks (1.68, 2.97, 41.89 ppm; 2.71 A): 8 out of 37 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 76 90 90 93 2.4-3.0 2.9=78, 2.9/1073=9...(25) HD3 LYS 13 + HE3 LYS 13 OK 76 90 90 93 2.4-3.0 2.9=78, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 70 83 95 88 2.4-3.0 2.9=78, 1.8/1058=8...(14) HD3 LYS 75 + HE3 LYS 75 OK 69 82 95 88 2.4-3.0 2.9=78, 1.8/3134=8...(14) HD3 LYS 13 + HE2 LYS 13 OK 67 90 80 93 2.2-3.0 2.9=78, 2.9/1073=9...(25) HD2 LYS 13 + HE3 LYS 13 OK 67 90 80 93 2.3-3.0 2.9=78, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 66 83 90 88 2.3-3.0 2.9=78, 1.8/1058=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 62 82 85 88 2.2-3.0 2.9=78, 1.8/3124=8...(14) ! HB3 LYS 13 - HE2 LYS 13 poor 15 100 20 77 2.1-5.5 5.2=14, 3.0/1073=9...(38) HB3 LYS 13 - HE3 LYS 13 far 10 100 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 76 0 - 5.0-27.9 HG2 ARG 70 - HE3 LYS 73 far 0 52 0 - 5.7-11.5 HB3 GLN 61 - HE2 LYS 32 far 0 65 0 - 5.9-11.1 HG2 ARG 70 - HE2 LYS 73 far 0 53 0 - 6.2-11.9 HD2 LYS 13 - HE2 LYS 39 far 0 82 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 76 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 99 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 66 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 79 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 82 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 91 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 99 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 92 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 78 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 89 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 79 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 95 0 - 8.6-34.1 HB3 LEU 64 - HE2 LYS 32 far 0 76 0 - 9.3-14.1 HG3 ARG 66 - HE2 LYS 73 far 0 80 0 - 9.3-15.4 HB3 GLN 61 - HE3 LYS 13 far 0 78 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 75 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 73 0 - 9.5-14.3 HG2 ARG 70 - HE2 LYS 75 far 0 60 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.42, 2.97, 41.89 ppm; 3.61 A increased from 3.21 A): 4 out of 27 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 94 100 95 99 2.2-4.1 3.8=85, 1.8/1037=20...(46) HG2 LYS 13 + HE3 LYS 13 OK 89 100 90 99 2.2-4.2 3.8=85, 1.8/1037=21...(50) HG3 LYS 39 + HE3 LYS 39 OK 74 74 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 61 76 80 100 2.0-4.0 3.6=100 HB3 ARG 69 - HE2 LYS 73 far 0 48 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 47 0 - 5.2-11.2 QB ALA 30 - HE2 LYS 32 far 0 65 0 - 5.2-8.2 HB3 LEU 43 - HE3 LYS 39 far 0 82 0 - 5.3-8.7 HB3 LEU 43 - HE2 LYS 39 far 0 85 0 - 5.4-7.4 QB ALA 30 - HE3 LYS 32 far 0 66 0 - 5.4-8.4 HG12 ILE 33 - HE3 LYS 13 far 0 81 0 - 5.8-26.7 HG2 LYS 13 - HE2 LYS 32 far 0 90 0 - 6.2-29.6 HB3 LEU 43 - HE2 LYS 13 far 0 93 0 - 6.7-38.6 HG12 ILE 33 - HE2 LYS 32 far 0 67 0 - 6.8-9.7 HG3 LYS 39 - HE2 LYS 13 far 0 85 0 - 7.2-35.0 HG2 LYS 13 - HE3 LYS 32 far 0 91 0 - 7.4-30.3 QB ALA 30 - HE3 LYS 13 far 0 78 0 - 7.4-24.1 HG12 ILE 33 - HE3 LYS 32 far 0 68 0 - 7.4-9.7 HG12 ILE 33 - HE2 LYS 13 far 0 81 0 - 7.4-26.6 HB3 LEU 43 - HE3 LYS 73 far 0 78 0 - 7.5-13.3 HB3 LEU 43 - HE2 LYS 73 far 0 80 0 - 8.0-12.7 HB3 LEU 43 - HE3 LYS 13 far 0 93 0 - 8.4-39.1 QB ALA 30 - HE2 LYS 13 far 0 78 0 - 8.4-23.7 HG3 LYS 39 - HE3 LYS 13 far 0 85 0 - 8.8-35.6 HG2 LYS 13 - HE2 LYS 39 far 0 95 0 - 9.1-35.2 HB3 ARG 69 - HE3 LYS 39 far 0 50 0 - 9.4-15.4 HB3 ARG 69 - HE2 LYS 39 far 0 52 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 1064 from cnoeabs.peaks (1.46, 2.97, 41.89 ppm; 3.73 A increased from 3.32 A): 4 out of 29 assignments used, quality = 1.00: HG3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=94, 1037/1.8=21...(48) * HG3 LYS 13 + HE2 LYS 13 OK 95 100 95 99 2.3-4.2 3.8=94, 1037/1.8=22...(44) HG2 LYS 73 + HE2 LYS 73 OK 65 65 100 100 2.1-4.0 3.7=100 HG2 LYS 73 + HE3 LYS 73 OK 60 63 95 100 2.5-4.2 3.7=100 QB ALA 30 - HE2 LYS 32 far 0 84 0 - 5.2-8.2 HB3 LEU 43 - HE3 LYS 39 far 0 74 0 - 5.3-8.7 HB3 LEU 43 - HE2 LYS 39 far 0 76 0 - 5.4-7.4 QB ALA 30 - HE3 LYS 32 far 0 85 0 - 5.4-8.4 HG3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.5-28.3 HG12 ILE 33 - HE3 LYS 13 far 0 96 0 - 5.8-26.7 HB3 LEU 43 - HE2 LYS 13 far 0 85 0 - 6.7-38.6 HG12 ILE 33 - HE2 LYS 32 far 0 82 0 - 6.8-9.7 HG3 LYS 13 - HE3 LYS 32 far 0 91 0 - 7.3-29.1 QB ALA 30 - HE3 LYS 13 far 0 97 0 - 7.4-24.1 HG12 ILE 33 - HE3 LYS 32 far 0 84 0 - 7.4-9.7 HG12 ILE 33 - HE2 LYS 13 far 0 96 0 - 7.4-26.6 HB3 LEU 43 - HE3 LYS 73 far 0 69 0 - 7.5-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 82 0 - 7.9-12.5 HB3 LEU 43 - HE2 LYS 73 far 0 71 0 - 8.0-12.7 HG3 LYS 13 - HE2 LYS 39 far 0 95 0 - 8.1-35.0 HB3 LEU 43 - HE3 LYS 13 far 0 85 0 - 8.4-39.1 QB ALA 30 - HE2 LYS 13 far 0 97 0 - 8.4-23.7 HG2 LYS 73 - HE2 LYS 75 far 0 73 0 - 8.5-12.8 HG2 LYS 73 - HE3 LYS 75 far 0 72 0 - 8.8-13.1 HG3 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.9-35.9 HB3 LEU 57 - HE3 LYS 32 far 0 84 0 - 9.0-12.8 HB3 LEU 57 - HE2 LYS 13 far 0 96 0 - 9.3-30.9 HB3 LEU 52 - HE3 LYS 39 far 0 77 0 - 9.8-14.9 HB3 LEU 57 - HE3 LYS 13 far 0 96 0 - 10.0-31.9 Violated in 0 structures by 0.00 A. Peak 1065 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: * HD2 LYS 13 + HE2 LYS 13 OK 93 100 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 89 100 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 13 + HE3 LYS 13 OK 89 100 95 93 2.3-3.0 2.9=79, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 86 97 100 89 2.4-3.0 2.9=79, 3135/1.8=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 86 97 100 89 2.2-3.0 2.9=79, 3135/1.8=8...(14) HD3 LYS 13 + HE3 LYS 13 OK 84 100 90 93 2.4-3.0 2.9=79, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 82 97 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 82 97 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HB3 LYS 13 - HE2 LYS 13 poor 18 90 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 9 90 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 95 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 96 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 96 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 82 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 99 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 90 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.67, 2.97, 41.89 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 93 100 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) * HD3 LYS 13 + HE2 LYS 13 OK 89 100 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 13 + HE3 LYS 13 OK 89 100 95 93 2.3-3.0 2.9=79, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 86 97 100 89 2.4-3.0 2.9=79, 3135/1.8=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 86 97 100 89 2.2-3.0 2.9=79, 3135/1.8=8...(14) HD3 LYS 13 + HE3 LYS 13 OK 84 100 90 93 2.4-3.0 2.9=79, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 82 97 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 82 97 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HB3 LYS 13 - HE2 LYS 13 poor 18 90 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 9 90 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 90 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 88 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 95 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 78 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 91 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 90 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 89 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 93 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 76 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 95 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 96 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 96 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 91 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 87 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 86 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 93 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 82 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 99 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 90 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 88 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. 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; 3.47 A): 9 out of 46 assignments used, quality = 0.95: HB3 LYS 73 + HE2 LYS 73 OK 33 84 45 88 2.2-4.9 4.7=41, ~3020=19...(24) HB2 LYS 32 + HE3 LYS 32 OK 31 79 40 97 2.6-5.1 4.6=44, 2.9/1638=21...(43) HB3 LYS 32 + HE2 LYS 32 OK 30 78 40 97 3.3-5.1 4.6=44, 2.9/1638=22...(43) HB3 LYS 75 + HE2 LYS 75 OK 30 98 35 87 2.2-5.4 5.0=34, 3093/2.9=14...(22) HB3 LYS 73 + HE3 LYS 73 OK 29 82 40 89 2.1-4.9 4.7=41, ~3020=19...(24) HB3 LYS 32 + HE3 LYS 32 OK 27 79 35 97 2.3-5.1 4.6=44, 2.9/1638=21...(43) HB2 LYS 13 + HE2 LYS 13 OK 26 100 30 87 2.7-5.4 5.2=29, 3.0/1073=15...(21) HB3 LYS 39 + HE3 LYS 39 OK 24 89 30 91 2.5-4.5 4.7=41, ~1884=18...(22) HB3 LYS 39 + HE2 LYS 39 OK 21 91 25 92 2.3-4.5 4.7=41, ~1884=18...(22) HB2 LYS 32 - HE2 LYS 32 poor 19 78 25 - 2.0-4.8 ! HB2 LYS 13 - HE3 LYS 13 poor 17 100 20 86 2.2-5.5 5.2=29, 3.0/1064=15...(21) HB3 LYS 75 - HE3 LYS 75 far 15 97 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 5 90 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 82 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 81 0 - 6.4-11.0 HB2 ARG 54 - HE2 LYS 39 far 0 64 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 89 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 81 0 - 7.0-26.7 HB2 PRO 34 - HE3 LYS 13 far 0 97 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 91 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 91 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.9-11.6 HB2 PRO 34 - HE3 LYS 39 far 0 86 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 90 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 69 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 97 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 87 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 94 0 - 8.2-32.6 HB ILE 33 - HE2 LYS 32 far 0 68 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 91 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 91 0 - 8.7-11.5 HB2 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 86 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 99 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 87 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 9.4-11.5 HB2 LYS 85 - HE3 LYS 73 far 0 81 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 64 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 76 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 99 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (1.68, 2.96, 41.89 ppm; 2.71 A): 8 out of 37 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 76 90 90 93 2.4-3.0 2.9=78, 2.9/1073=9...(25) HD3 LYS 13 + HE3 LYS 13 OK 76 90 90 93 2.4-3.0 2.9=78, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 70 84 95 88 2.4-3.0 2.9=78, 1.8/3134=8...(14) HD3 LYS 75 + HE3 LYS 75 OK 70 83 95 88 2.4-3.0 2.9=78, 1.8/3124=8...(14) HD3 LYS 13 + HE2 LYS 13 OK 67 90 80 93 2.2-3.0 2.9=78, 2.9/1073=9...(25) HD2 LYS 13 + HE3 LYS 13 OK 67 90 80 93 2.3-3.0 2.9=78, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 67 84 90 88 2.3-3.0 2.9=78, 1.8/3134=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 62 83 85 88 2.2-3.0 2.9=78, 1.8/3124=8...(14) HB3 LYS 13 - HE2 LYS 13 poor 20 100 20 - 2.1-5.5 ! HB3 LYS 13 - HE3 LYS 13 far 10 100 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.0-27.9 HG2 ARG 70 - HE3 LYS 73 far 0 53 0 - 5.7-11.5 HB3 GLN 61 - HE2 LYS 32 far 0 66 0 - 5.9-11.1 HG2 ARG 70 - HE2 LYS 73 far 0 54 0 - 6.2-11.9 HD2 LYS 13 - HE2 LYS 39 far 0 80 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 78 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 99 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 67 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 78 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 91 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 80 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 92 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 99 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 92 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 79 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 90 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 89 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 78 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 94 0 - 8.6-34.1 HB3 LEU 64 - HE2 LYS 32 far 0 78 0 - 9.3-14.1 HG3 ARG 66 - HE2 LYS 73 far 0 81 0 - 9.3-15.4 HB3 GLN 61 - HE3 LYS 13 far 0 78 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 76 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 75 0 - 9.5-14.3 HG2 ARG 70 - HE2 LYS 75 far 0 61 0 - 9.9-15.9 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (1.42, 2.96, 41.89 ppm; 3.61 A increased from 3.21 A): 4 out of 27 assignments used, quality = 1.00: HG2 LYS 13 + HE2 LYS 13 OK 94 100 95 99 2.2-4.1 3.8=85, 1.8/1037=20...(46) * HG2 LYS 13 + HE3 LYS 13 OK 89 100 90 99 2.2-4.2 3.8=85, 1.8/1037=21...(50) HG3 LYS 39 + HE3 LYS 39 OK 72 72 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 60 75 80 100 2.0-4.0 3.6=100 HB3 ARG 69 - HE2 LYS 73 far 0 49 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 48 0 - 5.2-11.2 QB ALA 30 - HE2 LYS 32 far 0 66 0 - 5.2-8.2 HB3 LEU 43 - HE3 LYS 39 far 0 81 0 - 5.3-8.7 HB3 LEU 43 - HE2 LYS 39 far 0 84 0 - 5.4-7.4 QB ALA 30 - HE3 LYS 32 far 0 67 0 - 5.4-8.4 HG12 ILE 33 - HE3 LYS 13 far 0 81 0 - 5.8-26.7 HG2 LYS 13 - HE2 LYS 32 far 0 91 0 - 6.2-29.6 HB3 LEU 43 - HE2 LYS 13 far 0 93 0 - 6.7-38.6 HG12 ILE 33 - HE2 LYS 32 far 0 68 0 - 6.8-9.7 HG3 LYS 39 - HE2 LYS 13 far 0 85 0 - 7.2-35.0 HG2 LYS 13 - HE3 LYS 32 far 0 93 0 - 7.4-30.3 QB ALA 30 - HE3 LYS 13 far 0 78 0 - 7.4-24.1 HG12 ILE 33 - HE3 LYS 32 far 0 69 0 - 7.4-9.7 HG12 ILE 33 - HE2 LYS 13 far 0 81 0 - 7.4-26.6 HB3 LEU 43 - HE3 LYS 73 far 0 80 0 - 7.5-13.3 HB3 LEU 43 - HE2 LYS 73 far 0 81 0 - 8.0-12.7 HB3 LEU 43 - HE3 LYS 13 far 0 93 0 - 8.4-39.1 QB ALA 30 - HE2 LYS 13 far 0 78 0 - 8.4-23.7 HG3 LYS 39 - HE3 LYS 13 far 0 85 0 - 8.8-35.6 HG2 LYS 13 - HE2 LYS 39 far 0 94 0 - 9.1-35.2 HB3 ARG 69 - HE3 LYS 39 far 0 49 0 - 9.4-15.4 HB3 ARG 69 - HE2 LYS 39 far 0 51 0 - 9.6-14.7 Violated in 0 structures by 0.00 A. Peak 1074 from cnoeabs.peaks (1.46, 2.96, 41.89 ppm; 3.73 A increased from 3.32 A): 4 out of 29 assignments used, quality = 1.00: * HG3 LYS 13 + HE3 LYS 13 OK 100 100 100 100 2.2-3.9 3.8=94, 1037/1.8=21...(48) HG3 LYS 13 + HE2 LYS 13 OK 95 100 95 99 2.3-4.2 3.8=94, 1037/1.8=22...(44) HG2 LYS 73 + HE2 LYS 73 OK 66 66 100 100 2.1-4.0 3.7=100 HG2 LYS 73 + HE3 LYS 73 OK 61 65 95 100 2.5-4.2 3.7=100 QB ALA 30 - HE2 LYS 32 far 0 85 0 - 5.2-8.2 HB3 LEU 43 - HE3 LYS 39 far 0 72 0 - 5.3-8.7 HB3 LEU 43 - HE2 LYS 39 far 0 75 0 - 5.4-7.4 QB ALA 30 - HE3 LYS 32 far 0 86 0 - 5.4-8.4 HG3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.5-28.3 HG12 ILE 33 - HE3 LYS 13 far 0 96 0 - 5.8-26.7 HB3 LEU 43 - HE2 LYS 13 far 0 85 0 - 6.7-38.6 HG12 ILE 33 - HE2 LYS 32 far 0 84 0 - 6.8-9.7 HG3 LYS 13 - HE3 LYS 32 far 0 93 0 - 7.3-29.1 QB ALA 30 - HE3 LYS 13 far 0 97 0 - 7.4-24.1 HG12 ILE 33 - HE3 LYS 32 far 0 85 0 - 7.4-9.7 HG12 ILE 33 - HE2 LYS 13 far 0 96 0 - 7.4-26.6 HB3 LEU 43 - HE3 LYS 73 far 0 71 0 - 7.5-13.3 HB3 LEU 57 - HE2 LYS 32 far 0 84 0 - 7.9-12.5 HB3 LEU 43 - HE2 LYS 73 far 0 72 0 - 8.0-12.7 HG3 LYS 13 - HE2 LYS 39 far 0 94 0 - 8.1-35.0 HB3 LEU 43 - HE3 LYS 13 far 0 85 0 - 8.4-39.1 QB ALA 30 - HE2 LYS 13 far 0 97 0 - 8.4-23.7 HG2 LYS 73 - HE2 LYS 75 far 0 73 0 - 8.5-12.8 HG2 LYS 73 - HE3 LYS 75 far 0 73 0 - 8.8-13.1 HG3 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.9-35.9 HB3 LEU 57 - HE3 LYS 32 far 0 85 0 - 9.0-12.8 HB3 LEU 57 - HE2 LYS 13 far 0 96 0 - 9.3-30.9 HB3 LEU 52 - HE3 LYS 39 far 0 76 0 - 9.8-14.9 HB3 LEU 57 - HE3 LYS 13 far 0 96 0 - 10.0-31.9 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 93 100 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 89 100 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) * HD2 LYS 13 + HE3 LYS 13 OK 89 100 95 93 2.3-3.0 2.9=79, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 87 98 100 89 2.4-3.0 2.9=79, 3135/1.8=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 86 97 100 89 2.2-3.0 2.9=79, 3135/1.8=8...(14) HD3 LYS 13 + HE3 LYS 13 OK 84 100 90 93 2.4-3.0 2.9=79, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 98 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 82 97 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HB3 LYS 13 - HE2 LYS 13 poor 18 90 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 9 90 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 94 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 96 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 97 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 80 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 99 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 91 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (1.67, 2.96, 41.89 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 93 100 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 89 100 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 13 + HE3 LYS 13 OK 89 100 95 93 2.3-3.0 2.9=79, 2.9/1064=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 87 98 100 89 2.4-3.0 2.9=79, 3135/1.8=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 86 97 100 89 2.2-3.0 2.9=79, 3135/1.8=8...(14) * HD3 LYS 13 + HE3 LYS 13 OK 84 100 90 93 2.4-3.0 2.9=79, 2.9/1064=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 83 98 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 82 97 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HB3 LYS 13 - HE2 LYS 13 poor 18 90 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 9 90 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 91 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 89 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 94 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 79 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 93 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 91 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 98 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 91 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 91 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 78 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 94 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 96 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 98 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 97 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 93 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 88 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 87 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 91 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 80 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 99 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 91 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 90 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 PRO 14 + HD2 PRO 14 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1081 from cnoeabs.peaks (1.89, 3.79, 50.51 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 3.0-3.9 3.0=100 HB3 PRO 34 - HD2 PRO 14 far 5 95 5 - 4.5-28.8 HB2 MET 11 - HD2 PRO 14 far 0 100 0 - 6.6-10.3 HB3 ARG 26 - HD2 PRO 14 far 0 99 0 - 8.8-28.5 Violated in 0 structures by 0.00 A. Peak 1082 from cnoeabs.peaks (1.98, 3.79, 50.51 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 14 + HD2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 5.6-10.6 QE MET 31 - HD2 PRO 14 far 0 100 0 - 10.0-24.3 Violated in 0 structures by 0.00 A. Peak 1083 from cnoeabs.peaks (1.98, 3.79, 50.51 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 14 + HD2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 MET 11 - HD2 PRO 14 far 0 78 0 - 5.6-10.6 QE MET 31 - HD2 PRO 14 far 0 100 0 - 10.0-24.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HD3 PRO 14 + HD2 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (2.27, 3.62, 50.51 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 14 + HD3 PRO 14 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (1.89, 3.62, 50.51 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 14 + HD3 PRO 14 OK 100 100 100 100 3.0-3.9 3.0=100 HB3 PRO 34 - HD3 PRO 14 far 0 95 0 - 6.0-27.9 HB2 MET 11 - HD3 PRO 14 far 0 100 0 - 6.9-10.6 HB3 ARG 26 - HD3 PRO 14 far 0 99 0 - 9.5-26.8 Violated in 0 structures by 0.00 A. Peak 1089 from cnoeabs.peaks (1.98, 3.62, 50.51 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 14 + HD3 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 14 + HD3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 7.0-11.0 HG LEU 43 - HD3 PRO 14 far 0 100 0 - 9.3-37.7 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (1.98, 3.62, 50.51 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 14 + HD3 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HG3 PRO 14 + HD3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 MET 11 - HD3 PRO 14 far 0 78 0 - 7.0-11.0 HG LEU 43 - HD3 PRO 14 far 0 100 0 - 9.3-37.7 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (3.79, 3.62, 50.51 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HD3 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 PRO 14 + HA PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 GLU 25 - HA PRO 14 far 0 89 0 - 10.0-25.9 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (1.89, 4.45, 63.04 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 14 + HA PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 MET 11 - HA PRO 14 far 0 100 0 - 6.5-12.2 HB3 PRO 34 - HA PRO 14 far 0 95 0 - 8.4-26.3 HB3 ARG 26 - HA PRO 14 far 0 99 0 - 8.7-28.8 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 14 + HA PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 14 + HA PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 HB3 MET 11 - HA PRO 14 far 0 78 0 - 6.4-12.1 QE MET 31 - HA PRO 14 far 0 100 0 - 8.6-25.3 Violated in 0 structures by 0.00 A. Peak 1097 from cnoeabs.peaks (1.98, 4.45, 63.04 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 14 + HA PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 * HG3 PRO 14 + HA PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 HB3 MET 11 - HA PRO 14 far 0 78 0 - 6.4-12.1 QE MET 31 - HA PRO 14 far 0 100 0 - 8.6-25.3 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (4.45, 2.27, 31.85 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. 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; 2.52 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 26 - HB2 PRO 14 far 0 99 0 - 6.6-27.6 HB3 PRO 34 - HB2 PRO 14 far 0 95 0 - 7.6-27.6 HB2 MET 11 - HB2 PRO 14 far 0 100 0 - 7.7-13.5 HB2 ARG 26 - HB2 PRO 14 far 0 99 0 - 8.3-26.5 HB2 GLU 19 - HB2 PRO 14 far 0 76 0 - 8.7-18.9 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (1.98, 2.27, 31.85 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HG2 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 7.3-13.8 QE MET 31 - HB2 PRO 14 far 0 100 0 - 9.5-24.8 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (1.98, 2.27, 31.85 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 MET 11 - HB2 PRO 14 far 0 78 0 - 7.3-13.8 QE MET 31 - HB2 PRO 14 far 0 100 0 - 9.5-24.8 Violated in 0 structures by 0.00 A. Peak 1105 from cnoeabs.peaks (3.79, 2.27, 31.85 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HB2 PRO 14 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1106 from cnoeabs.peaks (3.62, 2.27, 31.85 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 14 + HB2 PRO 14 OK 100 100 100 100 3.9-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (4.45, 1.89, 31.85 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (2.27, 1.89, 31.85 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: HG3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 5.5-13.2 QE MET 31 - HB3 PRO 14 far 0 100 0 - 8.5-25.6 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (1.98, 1.89, 31.85 ppm; 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 MET 11 - HB3 PRO 14 far 0 78 0 - 5.5-13.2 QE MET 31 - HB3 PRO 14 far 0 100 0 - 8.5-25.6 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (3.79, 1.89, 31.85 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 14 + HB3 PRO 14 OK 100 100 100 100 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1113 from cnoeabs.peaks (3.62, 1.89, 31.85 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 14 + HB3 PRO 14 OK 100 100 100 100 3.0-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1114 from cnoeabs.peaks (4.45, 1.98, 27.14 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 14 + HG2 PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 14 + HG3 PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1115 from cnoeabs.peaks (2.27, 1.98, 27.14 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1116 from cnoeabs.peaks (1.89, 1.98, 27.14 ppm; 3.18 A): 2 out of 14 assignments used, quality = 1.00: HB3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 * HB3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 5.3-28.0 HB3 PRO 34 - HG3 PRO 14 far 0 95 0 - 6.0-29.4 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 6.3-6.5 HB3 ARG 26 - HG3 PRO 14 far 0 99 0 - 6.8-27.8 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 7.4-12.7 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 7.6-26.3 HB2 ARG 26 - HG3 PRO 14 far 0 99 0 - 8.5-27.4 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 8.7-12.3 HB2 GLU 19 - HG2 PRO 14 far 0 76 0 - 9.4-20.5 HB2 ARG 26 - HG2 PRO 14 far 0 99 0 - 9.4-25.9 HB2 GLN 91 - HG LEU 43 far 0 58 0 - 9.5-52.1 HB ILE 68 - HG LEU 43 far 0 58 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HD3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HA ILE 40 - HG LEU 43 far 0 51 0 - 4.5-4.7 HA ARG 69 - HG LEU 43 far 0 56 0 - 8.5-9.4 HD3 PRO 14 - HG LEU 43 far 0 63 0 - 9.3-37.7 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (4.45, 1.98, 27.14 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: HA PRO 14 + HG2 PRO 14 OK 100 100 100 100 3.9-3.9 3.8=100 * HA PRO 14 + HG3 PRO 14 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1122 from cnoeabs.peaks (2.27, 1.98, 27.14 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: HB2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 * HB2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (1.89, 1.98, 27.14 ppm; 3.18 A): 2 out of 14 assignments used, quality = 1.00: * HB3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 34 - HG2 PRO 14 far 0 95 0 - 5.3-28.0 HB3 PRO 34 - HG3 PRO 14 far 0 95 0 - 6.0-29.4 HG12 ILE 40 - HG LEU 43 far 0 48 0 - 6.3-6.5 HB3 ARG 26 - HG3 PRO 14 far 0 99 0 - 6.8-27.8 HB2 MET 11 - HG3 PRO 14 far 0 100 0 - 7.4-12.7 HB3 ARG 26 - HG2 PRO 14 far 0 99 0 - 7.6-26.3 HB2 ARG 26 - HG3 PRO 14 far 0 99 0 - 8.5-27.4 HB2 MET 11 - HG2 PRO 14 far 0 100 0 - 8.7-12.3 HB2 GLU 19 - HG2 PRO 14 far 0 76 0 - 9.4-20.5 HB2 ARG 26 - HG2 PRO 14 far 0 99 0 - 9.4-25.9 HB2 GLN 91 - HG LEU 43 far 0 58 0 - 9.5-52.1 HB ILE 68 - HG LEU 43 far 0 58 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HD2 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HD2 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1127 from cnoeabs.peaks (3.62, 1.98, 27.14 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: HD3 PRO 14 + HG2 PRO 14 OK 100 100 100 100 2.3-3.0 2.3=100 * HD3 PRO 14 + HG3 PRO 14 OK 100 100 100 100 2.3-2.7 2.3=100 HA ILE 40 - HG LEU 43 far 0 51 0 - 4.5-4.7 HA ARG 69 - HG LEU 43 far 0 56 0 - 8.5-9.4 HD3 PRO 14 - HG LEU 43 far 0 63 0 - 9.3-37.7 Violated in 0 structures by 0.00 A. Peak 1128 from cnoeabs.peaks (8.20, 4.25, 61.70 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H THR 15 + HA THR 15 OK 100 100 100 100 2.3-2.9 3.0=100 H SER 22 - HA THR 15 far 0 99 0 - 9.5-22.2 Violated in 0 structures by 0.00 A. 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; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 15 + HA THR 15 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 29 - HA THR 15 far 0 99 0 - 5.5-22.5 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (1.19, 4.25, 61.70 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 15 + HA THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 QG2 THR 37 - HA THR 15 far 0 83 0 - 7.4-18.7 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (8.20, 4.17, 69.96 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: * H THR 15 + HB THR 15 OK 100 100 100 100 2.6-3.9 4.0=100 H ALA 28 - HB THR 15 far 0 98 0 - 8.7-23.5 H SER 22 - HB THR 15 far 0 99 0 - 9.2-22.7 H GLU 25 - HB THR 15 far 0 100 0 - 9.5-23.1 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (4.25, 4.17, 69.96 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 15 + HB THR 15 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 19 - HB THR 15 far 0 97 0 - 6.8-14.5 HA ALA 12 - HB THR 15 far 0 96 0 - 6.9-11.6 HB THR 37 - HB THR 15 far 0 76 0 - 8.6-25.7 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QG2 THR 15 + HB THR 15 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 37 - HB THR 15 far 0 83 0 - 5.4-19.4 HG13 ILE 33 - HB THR 15 far 0 63 0 - 9.0-23.1 QG2 VAL 65 - HB THR 15 far 0 81 0 - 9.4-21.5 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (8.20, 1.19, 21.44 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: * H THR 15 + QG2 THR 15 OK 100 100 100 100 1.9-3.9 3.9=100 H ALA 28 - QG2 THR 15 far 0 98 0 - 5.8-18.3 H GLU 25 - QG2 THR 15 far 0 100 0 - 7.0-18.8 H SER 22 - QG2 THR 15 far 0 99 0 - 7.1-17.7 H ARG 27 - QG2 THR 15 far 0 68 0 - 7.2-19.3 Violated in 0 structures by 0.00 A. Peak 1137 from cnoeabs.peaks (4.25, 1.19, 21.44 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HA THR 15 + QG2 THR 15 OK 100 100 100 100 2.0-3.2 3.2=100 HA ALA 12 - QG2 THR 15 far 0 96 0 - 5.4-10.3 HB THR 37 - QG2 THR 15 far 0 76 0 - 7.1-21.2 HA GLU 19 - QG2 THR 15 far 0 97 0 - 7.3-13.1 HA LYS 39 - QG2 THR 15 far 0 100 0 - 7.6-25.6 HA ALA 20 - QG2 THR 15 far 0 92 0 - 9.0-14.9 Violated in 0 structures by 0.00 A. Peak 1138 from cnoeabs.peaks (4.17, 1.19, 21.44 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 15 + QG2 THR 15 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 29 - QG2 THR 15 far 0 99 0 - 3.9-19.1 HA ILE 89 - QG2 THR 15 far 0 100 0 - 9.3-60.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ALA 16 + HA ALA 16 OK 100 100 100 100 2.8-2.9 2.9=100 H ARG 17 + HA ALA 16 OK 76 76 100 100 2.1-3.4 3.6=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 28 - HA ALA 16 far 0 81 0 - 6.7-15.5 QB ALA 20 - HA ALA 16 far 0 87 0 - 7.1-12.6 QB ALA 12 - HA ALA 16 far 0 65 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (8.36, 1.36, 19.09 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.7 2.9=100 H ARG 17 + QB ALA 16 OK 76 76 100 100 2.0-3.4 3.6=100 H ASP 24 - QB ALA 20 far 0 44 0 - 5.6-9.5 H ARG 17 - QB ALA 20 far 0 35 0 - 6.0-10.7 H ALA 16 - QB ALA 20 far 0 55 0 - 7.0-13.8 H ALA 16 - QB ALA 12 far 0 65 0 - 7.8-10.6 H ARG 17 - QB ALA 12 far 0 42 0 - 8.1-13.7 Violated in 0 structures by 0.00 A. Peak 1144 from cnoeabs.peaks (4.31, 1.36, 19.09 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 16 + QB ALA 16 OK 100 100 100 100 2.1-2.1 2.1=100 HA PRO 34 - QB ALA 16 far 5 99 5 - 3.2-18.9 HA ALA 16 - QB ALA 20 far 0 55 0 - 7.1-12.6 HA PRO 34 - QB ALA 12 far 0 64 0 - 7.4-24.8 HA ALA 16 - QB ALA 12 far 0 65 0 - 8.7-11.9 HA PRO 34 - QB ALA 20 far 0 53 0 - 8.7-17.5 Violated in 0 structures by 0.00 A. Peak 1145 from cnoeabs.peaks (1.36, 1.36, 19.09 ppm; diagonal): 4 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 8 assignments used, quality = 1.00: * H ARG 17 + HA ARG 17 OK 100 100 100 100 2.8-2.9 3.0=100 H GLY 18 + HA ARG 17 OK 73 73 100 100 2.2-3.6 3.6=100 H GLY 18 - HA GLU 19 far 3 52 5 - 4.3-5.7 H GLY 21 - HA GLU 19 far 0 76 0 - 4.5-6.8 H ALA 16 - HA ARG 17 far 0 76 0 - 4.7-5.6 H ARG 17 - HA GLU 19 far 0 80 0 - 6.1-9.4 H ALA 16 - HA GLU 19 far 0 54 0 - 6.5-12.2 H GLY 21 - HA ARG 17 far 0 98 0 - 7.5-12.6 Violated in 0 structures by 0.00 A. 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; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 17 - HA GLU 19 far 0 80 0 - 5.4-9.1 HB2 LYS 39 - HA GLU 19 far 0 68 0 - 9.0-19.7 HB2 LYS 39 - HA ARG 17 far 0 92 0 - 9.4-21.2 Violated in 0 structures by 0.00 A. Peak 1149 from cnoeabs.peaks (1.74, 4.28, 56.26 ppm; 3.49 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 17 + HA ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 17 - HA GLU 19 far 0 80 0 - 3.9-8.8 HB ILE 33 - HA ARG 17 far 0 71 0 - 5.1-17.1 HB2 LEU 29 - HA GLU 19 far 0 46 0 - 5.9-15.2 HB2 LEU 29 - HA ARG 17 far 0 65 0 - 6.0-17.9 HG3 ARG 26 - HA GLU 19 far 0 79 0 - 6.4-12.7 HB3 LYS 32 - HA ARG 17 far 0 57 0 - 6.9-20.6 HG2 PRO 34 - HA ARG 17 far 0 90 0 - 6.9-21.4 HB2 LYS 32 - HA ARG 17 far 0 57 0 - 7.8-21.2 HB ILE 33 - HA GLU 19 far 0 50 0 - 9.0-17.9 HG3 ARG 26 - HA ARG 17 far 0 100 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 1150 from cnoeabs.peaks (1.62, 4.28, 56.26 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 17 + HA ARG 17 OK 99 100 100 99 2.2-3.9 4.0=76, 1167/3.0=32...(36) HG3 ARG 17 + HA ARG 17 OK 89 100 90 99 2.3-4.2 4.0=76, 1158/3.0=24...(36) HG2 ARG 17 - HA GLU 19 far 0 80 0 - 4.8-9.7 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 5.0-9.6 HG2 ARG 26 - HA GLU 19 far 0 80 0 - 5.8-13.9 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 8.2-18.4 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 8.3-23.1 HD2 LYS 32 - HA ARG 17 far 0 99 0 - 9.4-23.5 Violated in 0 structures by 0.00 A. Peak 1151 from cnoeabs.peaks (1.62, 4.28, 56.26 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: HG2 ARG 17 + HA ARG 17 OK 99 100 100 99 2.2-3.9 4.0=76, 1167/3.0=32...(36) * HG3 ARG 17 + HA ARG 17 OK 89 100 90 99 2.3-4.2 4.0=76, 1158/3.0=24...(36) HG2 ARG 17 - HA GLU 19 far 0 80 0 - 4.8-9.7 HG3 ARG 17 - HA GLU 19 far 0 80 0 - 5.0-9.6 HG2 ARG 26 - HA GLU 19 far 0 80 0 - 5.8-13.9 HG2 ARG 26 - HA ARG 17 far 0 100 0 - 8.2-18.4 HD3 LYS 32 - HA ARG 17 far 0 99 0 - 8.3-23.1 HD2 LYS 32 - HA ARG 17 far 0 98 0 - 9.4-23.5 Violated in 0 structures by 0.00 A. Peak 1152 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.84 A increased from 4.30 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-5.1 5.0=90, 3.0/1150=45...(36) HD3 ARG 17 + HA ARG 17 OK 95 100 95 100 2.1-5.5 5.0=90, 3.0/1150=45...(36) HD2 ARG 17 - HA GLU 19 far 0 80 0 - 6.3-11.2 HD3 ARG 26 - HA GLU 19 far 0 68 0 - 6.4-14.4 HD3 ARG 17 - HA GLU 19 far 0 80 0 - 7.0-10.7 HD2 ARG 26 - HA GLU 19 far 0 70 0 - 7.9-14.9 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 8.4-18.3 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (3.16, 4.28, 56.26 ppm; 4.84 A increased from 4.30 A): 2 out of 7 assignments used, quality = 1.00: HD2 ARG 17 + HA ARG 17 OK 100 100 100 100 2.0-5.1 5.0=90, 3.0/1150=45...(36) * HD3 ARG 17 + HA ARG 17 OK 95 100 95 100 2.1-5.5 5.0=90, 3.0/1150=45...(36) HD2 ARG 17 - HA GLU 19 far 0 80 0 - 6.3-11.2 HD3 ARG 26 - HA GLU 19 far 0 68 0 - 6.4-14.4 HD3 ARG 17 - HA GLU 19 far 0 80 0 - 7.0-10.7 HD2 ARG 26 - HA GLU 19 far 0 70 0 - 7.9-14.9 HD3 ARG 26 - HA ARG 17 far 0 92 0 - 8.4-18.3 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (8.38, 1.84, 30.61 ppm; 4.91 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.2-4.0 4.0=100 H GLY 18 + HB2 ARG 17 OK 73 73 100 100 2.2-4.5 4.3=100 H ALA 16 - HB2 ARG 17 far 11 76 15 - 4.6-6.9 H GLY 21 - HB2 ARG 17 far 5 98 5 - 4.9-14.5 H VAL 65 - HB2 ARG 71 far 0 50 0 - 9.3-11.8 H VAL 65 - HB3 ARG 71 far 0 49 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1155 from cnoeabs.peaks (4.28, 1.84, 30.61 ppm; 3.69 A): 1 out of 9 assignments used, quality = 1.00: * HA ARG 17 + HB2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 20 - HB2 ARG 17 far 0 89 0 - 4.5-12.4 HA GLU 19 - HB2 ARG 17 far 0 81 0 - 5.4-9.1 HA ASP 38 - HB2 ARG 71 far 0 52 0 - 7.7-11.4 HA LEU 64 - HB2 ARG 71 far 0 39 0 - 7.8-9.6 HA LEU 64 - HB3 ARG 71 far 0 38 0 - 8.2-9.8 HA ASP 38 - HB3 ARG 71 far 0 51 0 - 8.2-11.8 HA ASP 38 - HB2 ARG 17 far 0 100 0 - 9.2-22.2 HA ALA 12 - HB2 ARG 17 far 0 83 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (1.84, 1.84, 30.61 ppm; diagonal): 3 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): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 17 + HB2 ARG 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 71 + HB2 ARG 71 OK 39 49 90 87 2.3-3.0 2.8=63, 779/776=21...(17) HG3 ARG 71 - HB3 ARG 71 poor 17 48 35 - 2.2-3.0 HB2 LEU 29 - HB2 ARG 17 far 0 65 0 - 4.0-19.4 HB ILE 33 - HB2 ARG 17 far 0 71 0 - 6.0-17.0 HB3 LYS 32 - HB2 ARG 17 far 0 57 0 - 6.9-22.8 HB2 LYS 32 - HB2 ARG 17 far 0 57 0 - 8.1-23.4 HG3 ARG 26 - HB2 ARG 17 far 0 100 0 - 8.3-17.3 HG2 PRO 34 - HB2 ARG 17 far 0 90 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1158 from cnoeabs.peaks (1.62, 1.84, 30.61 ppm; 2.76 A): 4 out of 17 assignments used, quality = 1.00: HG3 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.3-3.0 2.9=83, 1181/1.8=17...(27) * HG2 ARG 17 + HB2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=83, 1181/1.8=24...(27) HG2 ARG 71 + HB2 ARG 71 OK 51 52 100 99 2.3-3.0 2.8=96, 2920/776=21...(24) HG2 ARG 71 + HB3 ARG 71 OK 50 51 100 99 2.4-3.0 2.8=96, 2920/4.0=19...(20) HG3 ARG 70 - HB2 ARG 71 far 0 50 0 - 3.7-8.2 HG3 ARG 70 - HB3 ARG 71 far 0 49 0 - 3.7-8.4 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 6.4-10.4 HG3 ARG 27 - HB3 ARG 71 far 0 43 0 - 6.5-10.4 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.2-10.2 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 7.3-19.0 HD2 LYS 32 - HB2 ARG 17 far 0 99 0 - 7.5-25.5 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 7.6-25.2 HG2 ARG 27 - HB3 ARG 71 far 0 44 0 - 7.6-10.4 HD3 LYS 73 - HB2 ARG 71 far 0 49 0 - 8.1-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 49 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.0-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1159 from cnoeabs.peaks (1.62, 1.84, 30.61 ppm; 2.76 A): 4 out of 17 assignments used, quality = 1.00: * HG3 ARG 17 + HB2 ARG 17 OK 98 100 100 98 2.3-3.0 2.9=83, 1181/1.8=17...(27) HG2 ARG 17 + HB2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=83, 1181/1.8=24...(27) HG2 ARG 71 + HB2 ARG 71 OK 52 52 100 99 2.3-3.0 2.8=96, 2920/776=21...(24) HG2 ARG 71 + HB3 ARG 71 OK 50 51 100 99 2.4-3.0 2.8=96, 2920/4.0=19...(20) HG3 ARG 70 - HB2 ARG 71 far 0 50 0 - 3.7-8.2 HG3 ARG 70 - HB3 ARG 71 far 0 49 0 - 3.7-8.4 HG3 ARG 27 - HB2 ARG 71 far 0 45 0 - 6.4-10.4 HG3 ARG 27 - HB3 ARG 71 far 0 44 0 - 6.5-10.4 HG2 ARG 27 - HB2 ARG 71 far 0 46 0 - 7.2-10.2 HG2 ARG 26 - HB2 ARG 17 far 0 100 0 - 7.3-19.0 HD2 LYS 32 - HB2 ARG 17 far 0 98 0 - 7.5-25.5 HD3 LYS 32 - HB2 ARG 17 far 0 99 0 - 7.6-25.2 HG2 ARG 27 - HB3 ARG 71 far 0 45 0 - 7.6-10.4 HD3 LYS 73 - HB2 ARG 71 far 0 48 0 - 8.1-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 48 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 47 0 - 9.0-11.6 HD2 LYS 73 - HB3 ARG 71 far 0 47 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.55 A increased from 3.34 A): 4 out of 15 assignments used, quality = 1.00: * HD2 ARG 17 + HB2 ARG 17 OK 95 100 95 100 2.2-4.1 3.6=97, 3.0/1158=23...(42) HD3 ARG 17 + HB2 ARG 17 OK 80 100 80 100 2.0-4.2 3.6=97, 3.0/1158=23...(42) HD2 ARG 71 + HB3 ARG 71 OK 36 36 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 35 37 95 100 2.2-4.1 3.5=100 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.1-11.3 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 6.4-11.2 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 6.9-19.0 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.1-13.1 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.4-13.5 HD2 ARG 26 - HB2 ARG 17 far 0 93 0 - 8.4-18.6 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1161 from cnoeabs.peaks (3.16, 1.84, 30.61 ppm; 3.55 A increased from 3.34 A): 4 out of 15 assignments used, quality = 1.00: HD2 ARG 17 + HB2 ARG 17 OK 95 100 95 100 2.2-4.1 3.6=97, 3.0/1158=23...(42) * HD3 ARG 17 + HB2 ARG 17 OK 80 100 80 100 2.0-4.2 3.6=97, 3.0/1158=23...(42) HD2 ARG 71 + HB3 ARG 71 OK 36 36 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 35 37 95 100 2.2-4.1 3.5=100 HD2 ARG 27 - HB3 ARG 71 far 0 47 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.1-11.3 HD3 ARG 27 - HB3 ARG 71 far 0 47 0 - 6.4-11.2 HD3 ARG 26 - HB2 ARG 17 far 0 92 0 - 6.9-19.0 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.3-12.6 HD3 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.1-13.1 HD2 ARG 23 - HB2 ARG 71 far 0 51 0 - 8.4-13.5 HD2 ARG 26 - HB2 ARG 17 far 0 93 0 - 8.4-18.6 HD2 ARG 66 - HB2 ARG 71 far 0 25 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (8.38, 1.74, 30.61 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-3.8 4.0=100 H GLY 18 + HB3 ARG 17 OK 73 73 100 100 2.2-4.5 4.3=100 H ALA 16 - HB3 ARG 17 poor 15 76 20 - 4.5-7.4 H GLY 21 - HB3 ARG 17 far 5 98 5 - 5.1-13.7 Violated in 0 structures by 0.00 A. Peak 1163 from cnoeabs.peaks (4.28, 1.74, 30.61 ppm; 3.72 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 19 - HB3 ARG 17 far 4 81 5 - 3.9-8.8 HA LEU 86 - HB2 ARG 84 far 0 49 0 - 4.2-8.1 HA ALA 20 - HB3 ARG 17 far 0 89 0 - 4.9-11.7 HA LEU 86 - HB3 ARG 82 far 0 45 0 - 7.9-14.9 HA ASP 38 - HB3 ARG 17 far 0 100 0 - 8.2-22.2 HA THR 88 - HB2 ARG 84 far 0 76 0 - 8.6-14.9 Violated in 0 structures by 0.00 A. Peak 1164 from cnoeabs.peaks (1.84, 1.74, 30.61 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 17 + HB3 ARG 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 - HB2 ARG 54 far 0 41 0 - 8.4-10.8 HB2 LYS 39 - HB3 ARG 17 far 0 92 0 - 9.7-21.2 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (1.74, 1.74, 30.61 ppm; diagonal): 4 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): 4 out of 14 assignments used, quality = 0.98: * HG2 ARG 17 + HB3 ARG 17 OK 90 100 95 95 2.2-3.0 2.9=76, 1.8/1181=16...(24) HG3 ARG 17 + HB3 ARG 17 OK 52 100 55 95 2.5-3.0 2.9=76, 1.8/1181=23...(24) HG3 ARG 84 + HB2 ARG 84 OK 42 47 95 94 2.3-3.0 3.0=75, 3394/1.8=22...(26) HG2 ARG 84 + HB2 ARG 84 OK 22 47 50 95 2.5-3.0 3.0=75, 3394/1.8=22...(26) HG3 ARG 84 - HB3 ARG 82 far 0 43 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 43 0 - 4.3-9.7 HB2 LEU 86 - HB2 ARG 84 far 0 76 0 - 4.8-10.2 HB3 LEU 51 - HB2 ARG 54 far 0 36 0 - 4.8-5.4 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 5.5-16.8 HG LEU 86 - HB2 ARG 84 far 0 56 0 - 5.8-10.5 HG LEU 86 - HB3 ARG 82 far 0 52 0 - 6.5-17.1 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 7.1-23.6 HG2 ARG 26 - HB3 ARG 17 far 0 100 0 - 7.7-17.4 HD2 LYS 32 - HB3 ARG 17 far 0 99 0 - 8.5-23.8 Violated in 0 structures by 0.00 A. Peak 1167 from cnoeabs.peaks (1.62, 1.74, 30.61 ppm; 2.68 A): 4 out of 14 assignments used, quality = 0.98: HG2 ARG 17 + HB3 ARG 17 OK 90 100 95 95 2.2-3.0 2.9=76, 1.8/1181=16...(24) * HG3 ARG 17 + HB3 ARG 17 OK 52 100 55 95 2.5-3.0 2.9=76, 1.8/1181=23...(24) HG3 ARG 84 + HB2 ARG 84 OK 40 45 95 94 2.3-3.0 3.0=75, 3394/1.8=21...(26) HG2 ARG 84 + HB2 ARG 84 OK 21 45 50 95 2.5-3.0 3.0=75, 3394/1.8=21...(26) HG3 ARG 84 - HB3 ARG 82 far 0 41 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 41 0 - 4.3-9.7 HB2 LEU 86 - HB2 ARG 84 far 0 75 0 - 4.8-10.2 HB3 LEU 51 - HB2 ARG 54 far 0 35 0 - 4.8-5.4 HB2 LEU 86 - HB3 ARG 82 far 0 70 0 - 5.5-16.8 HG LEU 86 - HB2 ARG 84 far 0 55 0 - 5.8-10.5 HG LEU 86 - HB3 ARG 82 far 0 50 0 - 6.5-17.1 HD3 LYS 32 - HB3 ARG 17 far 0 99 0 - 7.1-23.6 HG2 ARG 26 - HB3 ARG 17 far 0 100 0 - 7.7-17.4 HD2 LYS 32 - HB3 ARG 17 far 0 98 0 - 8.5-23.8 Violated in 0 structures by 0.00 A. Peak 1168 from cnoeabs.peaks (3.16, 1.74, 30.61 ppm; 3.91 A): 5 out of 10 assignments used, quality = 1.00: HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.2-3.8 3.6=100 * HD2 ARG 17 + HB3 ARG 17 OK 95 100 95 100 2.1-4.2 3.6=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 100 100 2.3-3.8 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 67 70 95 100 2.1-4.2 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.4-4.1 3.6=100 HD2 ARG 84 - HB3 ARG 82 far 0 63 0 - 5.1-12.1 HD3 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.4-12.4 HD2 ARG 82 - HB2 ARG 84 far 0 69 0 - 7.1-12.3 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 7.8-17.3 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 1169 from cnoeabs.peaks (3.16, 1.74, 30.61 ppm; 3.91 A): 5 out of 10 assignments used, quality = 1.00: * HD3 ARG 17 + HB3 ARG 17 OK 100 100 100 100 2.2-3.8 3.6=100 HD2 ARG 17 + HB3 ARG 17 OK 95 100 95 100 2.1-4.2 3.6=100 HD2 ARG 84 + HB2 ARG 84 OK 68 68 100 100 2.3-3.8 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 67 70 95 100 2.1-4.2 3.5=100 HD2 ARG 82 + HB3 ARG 82 OK 64 64 100 100 2.4-4.1 3.6=100 HD2 ARG 84 - HB3 ARG 82 far 0 63 0 - 5.1-12.1 HD3 ARG 84 - HB3 ARG 82 far 0 65 0 - 5.4-12.4 HD2 ARG 82 - HB2 ARG 84 far 0 69 0 - 7.1-12.3 HD3 ARG 26 - HB3 ARG 17 far 0 92 0 - 7.8-17.3 HD2 ARG 26 - HB3 ARG 17 far 0 93 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 1171 from cnoeabs.peaks (4.28, 1.62, 27.10 ppm; 4.18 A): 3 out of 24 assignments used, quality = 1.00: * HA ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.2-3.9 4.0=100 HA ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.3-4.2 4.0=100 HA LEU 86 + HG LEU 86 OK 50 50 100 100 2.2-3.7 4.3=94, 3519/2.1=64...(17) HA ALA 20 - HG2 ARG 26 far 5 47 10 - 3.0-13.0 HA THR 88 - HG LEU 86 far 4 78 5 - 4.4-8.9 HA LEU 86 - HG3 ARG 84 far 4 36 10 - 3.1-9.8 HA LEU 86 - HG2 ARG 84 far 0 36 0 - 4.7-9.1 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 4.8-9.7 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 5.0-9.6 HA LEU 64 - HG2 ARG 27 far 0 65 0 - 5.6-9.0 HA LEU 64 - HG3 ARG 27 far 0 64 0 - 5.7-8.7 HA GLU 19 - HG2 ARG 26 far 0 41 0 - 5.8-13.9 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 6.8-12.8 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 7.0-12.7 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 8.2-18.4 HA ALA 12 - HG3 ARG 17 far 0 83 0 - 8.4-18.6 HA LEU 64 - HG3 ARG 70 far 0 85 0 - 8.6-11.0 HA ALA 12 - HG2 ARG 17 far 0 83 0 - 8.8-18.3 HA ASP 38 - HG2 ARG 17 far 0 100 0 - 8.8-22.9 HA THR 88 - HG3 ARG 84 far 0 58 0 - 9.1-16.4 HA LYS 39 - HG2 ARG 17 far 0 63 0 - 9.5-24.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 9.7-22.4 HA SER 60 - HG3 ARG 27 far 0 80 0 - 9.8-13.9 HA ALA 20 - HG2 ARG 27 far 0 67 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 1172 from cnoeabs.peaks (1.84, 1.62, 27.10 ppm; 2.71 A): 6 out of 25 assignments used, quality = 1.00: * HB2 ARG 17 + HG2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=78, 1.8/1167=29...(26) HB2 ARG 17 + HG3 ARG 17 OK 97 100 100 97 2.3-3.0 2.9=78, 1158/1.8=21...(26) HB2 ARG 27 + HG2 ARG 27 OK 71 73 100 97 2.4-3.0 2.9=82, 3.0/1418=14...(43) HB2 ARG 27 + HG3 ARG 27 OK 69 71 100 97 2.3-3.0 2.9=82, 3.0/1418=14...(43) HB3 ARG 27 + HG2 ARG 27 OK 69 71 100 97 2.3-3.0 2.9=82, 3.0/1418=14...(43) HB3 ARG 27 + HG3 ARG 27 OK 68 70 100 97 2.4-3.0 2.9=82, 3.0/1418=14...(42) HB2 ARG 27 - HG2 ARG 26 far 0 52 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 93 0 - 3.7-8.2 HB3 ARG 71 - HG3 ARG 70 far 0 92 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 78 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 77 0 - 4.5-8.6 HB2 LYS 73 - HG3 ARG 70 far 0 87 0 - 4.5-7.7 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.9-8.3 HB3 ARG 27 - HG2 ARG 26 far 0 51 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 78 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 79 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 71 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 70 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 73 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.3-19.0 HB3 ARG 71 - HG2 ARG 27 far 0 71 0 - 7.6-10.4 HB ILE 89 - HG LEU 86 far 0 65 0 - 7.8-13.6 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.9-21.9 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1173 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 4 out of 39 assignments used, quality = 0.94: * HB3 ARG 17 + HG2 ARG 17 OK 61 100 70 87 2.2-3.0 2.9=54, 1.8/1158=16...(21) HG3 ARG 26 + HG2 ARG 26 OK 58 58 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG3 ARG 17 OK 44 100 50 89 2.5-3.0 2.9=54, 1167/1.8=23...(21) HB2 ARG 84 + HG3 ARG 84 OK 33 46 85 85 2.3-3.0 3.0=54, 3380/1.8=16...(23) HB2 ARG 84 - HG2 ARG 84 poor 14 46 30 - 2.5-3.0 HG3 ARG 71 - HG3 ARG 70 far 5 97 5 - 2.6-8.1 HB3 LYS 83 - HG2 ARG 84 far 0 33 0 - 3.0-7.2 HB3 ARG 82 - HG3 ARG 84 far 0 39 0 - 3.5-10.7 HB3 LYS 83 - HG3 ARG 84 far 0 33 0 - 3.6-7.8 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 4.3-19.5 HB3 ARG 82 - HG2 ARG 84 far 0 39 0 - 4.3-9.7 HB3 LYS 83 - HG LEU 86 far 0 46 0 - 4.4-13.7 HG3 ARG 26 - HG2 ARG 27 far 0 81 0 - 4.5-8.5 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 5.0-17.7 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 5.1-18.7 HG3 ARG 26 - HG3 ARG 27 far 0 79 0 - 5.2-8.2 HB3 LYS 85 - HG3 ARG 84 far 0 40 0 - 5.2-8.5 HB3 LYS 85 - HG LEU 86 far 0 56 0 - 5.6-8.7 HB2 ARG 84 - HG LEU 86 far 0 64 0 - 5.8-10.5 HG3 ARG 71 - HG3 ARG 27 far 0 77 0 - 5.8-10.8 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 5.9-8.0 HG3 ARG 71 - HG2 ARG 27 far 0 78 0 - 6.0-10.8 HB3 LYS 85 - HG2 ARG 84 far 0 40 0 - 6.2-8.6 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 6.2-18.3 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 6.3-22.4 HB3 ARG 82 - HG LEU 86 far 0 54 0 - 6.5-17.1 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 7.3-20.7 HB3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.7-17.4 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 7.7-23.1 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 8.4-18.4 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.7-21.5 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 8.7-22.5 HG2 PRO 34 - HG2 ARG 17 far 0 90 0 - 8.9-22.3 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 8.9-18.2 HB2 LEU 29 - HG2 ARG 27 far 0 47 0 - 9.0-10.6 HB2 LEU 29 - HG3 ARG 27 far 0 46 0 - 9.0-10.5 HB ILE 33 - HG2 ARG 27 far 0 51 0 - 9.3-10.6 HB ILE 33 - HG3 ARG 27 far 0 50 0 - 9.3-10.6 HG3 ARG 71 - HG2 ARG 26 far 0 57 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1174 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 9 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): 9 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 42 assignments used, quality = 1.00: HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 76 76 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 76 76 100 100 2.6-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 53 53 100 100 2.4-3.0 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 51 51 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 3 56 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 81 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 70 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 72 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 52 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 71 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 70 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 52 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 70 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 81 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 79 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 69 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.6-19.6 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 1177 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 42 assignments used, quality = 1.00: * HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 78 78 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 76 76 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 76 76 100 100 2.6-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 53 53 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 53 53 100 100 2.4-3.0 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 51 51 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 3 56 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 58 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 81 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 70 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 72 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 52 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 58 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 71 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 70 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 52 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 70 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 81 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 61 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 79 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 64 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 69 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.6-19.6 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 1179 from cnoeabs.peaks (4.28, 1.62, 27.10 ppm; 4.18 A): 3 out of 24 assignments used, quality = 1.00: * HA ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.3-4.2 4.0=100 HA ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.2-3.9 4.0=100 HA LEU 86 + HG LEU 86 OK 49 49 100 100 2.2-3.7 4.3=94, 3519/2.1=64...(17) HA ALA 20 - HG2 ARG 26 far 5 47 10 - 3.0-13.0 HA THR 88 - HG LEU 86 far 4 76 5 - 4.4-8.9 HA LEU 86 - HG3 ARG 84 far 3 34 10 - 3.1-9.8 HA LEU 86 - HG2 ARG 84 far 0 34 0 - 4.7-9.1 HA GLU 19 - HG2 ARG 17 far 0 81 0 - 4.8-9.7 HA GLU 19 - HG3 ARG 17 far 0 81 0 - 5.0-9.6 HA LEU 64 - HG2 ARG 27 far 0 66 0 - 5.6-9.0 HA LEU 64 - HG3 ARG 27 far 0 65 0 - 5.7-8.7 HA GLU 19 - HG2 ARG 26 far 0 41 0 - 5.8-13.9 HA ALA 20 - HG3 ARG 17 far 0 89 0 - 6.8-12.8 HA ALA 20 - HG2 ARG 17 far 0 89 0 - 7.0-12.7 HA ARG 17 - HG2 ARG 26 far 0 60 0 - 8.2-18.4 HA ALA 12 - HG3 ARG 17 far 0 83 0 - 8.4-18.6 HA LEU 64 - HG3 ARG 70 far 0 84 0 - 8.6-11.0 HA ALA 12 - HG2 ARG 17 far 0 83 0 - 8.8-18.3 HA ASP 38 - HG2 ARG 17 far 0 100 0 - 8.8-22.9 HA THR 88 - HG3 ARG 84 far 0 56 0 - 9.1-16.4 HA LYS 39 - HG2 ARG 17 far 0 63 0 - 9.5-24.8 HA ASP 38 - HG3 ARG 17 far 0 100 0 - 9.7-22.4 HA SER 60 - HG3 ARG 27 far 0 82 0 - 9.8-13.9 HA ALA 20 - HG2 ARG 27 far 0 68 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (1.84, 1.62, 27.10 ppm; 2.71 A): 6 out of 25 assignments used, quality = 1.00: * HB2 ARG 17 + HG3 ARG 17 OK 97 100 100 97 2.3-3.0 2.9=78, 1158/1.8=21...(26) HB2 ARG 17 + HG2 ARG 17 OK 97 100 100 97 2.4-3.0 2.9=78, 1.8/1167=29...(26) HB2 ARG 27 + HG2 ARG 27 OK 72 74 100 97 2.4-3.0 2.9=82, 3.0/1418=14...(43) HB2 ARG 27 + HG3 ARG 27 OK 71 73 100 97 2.3-3.0 2.9=82, 3.0/1418=14...(43) HB3 ARG 27 + HG2 ARG 27 OK 70 73 100 97 2.3-3.0 2.9=82, 3.0/1418=14...(44) HB3 ARG 27 + HG3 ARG 27 OK 69 71 100 97 2.4-3.0 2.9=82, 3.0/1418=14...(42) HB2 ARG 27 - HG2 ARG 26 far 0 52 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 92 0 - 3.7-8.2 HB3 ARG 71 - HG3 ARG 70 far 0 91 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 80 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 78 0 - 4.5-8.6 HB2 LYS 73 - HG3 ARG 70 far 0 86 0 - 4.5-7.7 HB3 ARG 23 - HG2 ARG 26 far 0 57 0 - 4.9-8.3 HB3 ARG 27 - HG2 ARG 26 far 0 51 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 79 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 81 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 57 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 73 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 71 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 74 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.3-19.0 HB3 ARG 71 - HG2 ARG 27 far 0 73 0 - 7.6-10.4 HB ILE 89 - HG LEU 86 far 0 63 0 - 7.8-13.6 HB2 LYS 39 - HG3 ARG 17 far 0 92 0 - 8.9-21.9 HB2 LYS 75 - HG3 ARG 70 far 0 99 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1181 from cnoeabs.peaks (1.74, 1.62, 27.10 ppm; 2.40 A): 4 out of 39 assignments used, quality = 0.94: HB3 ARG 17 + HG2 ARG 17 OK 61 100 70 87 2.2-3.0 2.9=54, 1.8/1158=16...(21) HG3 ARG 26 + HG2 ARG 26 OK 59 59 100 100 1.8-1.8 1.8=100 * HB3 ARG 17 + HG3 ARG 17 OK 44 100 50 89 2.5-3.0 2.9=54, 1167/1.8=23...(21) HB2 ARG 84 + HG3 ARG 84 OK 32 44 85 85 2.3-3.0 3.0=54, 3380/1.8=16...(23) HB2 ARG 84 - HG2 ARG 84 poor 13 44 30 - 2.5-3.0 HG3 ARG 71 - HG3 ARG 70 far 5 97 5 - 2.6-8.1 HB3 LYS 83 - HG2 ARG 84 far 0 31 0 - 3.0-7.2 HB3 ARG 82 - HG3 ARG 84 far 0 37 0 - 3.5-10.7 HB3 LYS 83 - HG3 ARG 84 far 0 31 0 - 3.6-7.8 HB2 LEU 29 - HG3 ARG 17 far 0 65 0 - 4.3-19.5 HB3 ARG 82 - HG2 ARG 84 far 0 37 0 - 4.3-9.7 HB3 LYS 83 - HG LEU 86 far 0 45 0 - 4.4-13.7 HG3 ARG 26 - HG2 ARG 27 far 0 82 0 - 4.5-8.5 HB2 LEU 29 - HG2 ARG 17 far 0 65 0 - 5.0-17.7 HB ILE 33 - HG3 ARG 17 far 0 71 0 - 5.1-18.7 HG3 ARG 26 - HG3 ARG 27 far 0 81 0 - 5.2-8.2 HB3 LYS 85 - HG3 ARG 84 far 0 39 0 - 5.2-8.5 HB3 LYS 85 - HG LEU 86 far 0 55 0 - 5.6-8.7 HB2 ARG 84 - HG LEU 86 far 0 62 0 - 5.8-10.5 HG3 ARG 71 - HG3 ARG 27 far 0 78 0 - 5.8-10.8 HB2 LEU 29 - HG2 ARG 26 far 0 32 0 - 5.9-8.0 HG3 ARG 71 - HG2 ARG 27 far 0 80 0 - 6.0-10.8 HB3 LYS 85 - HG2 ARG 84 far 0 39 0 - 6.2-8.6 HB ILE 33 - HG2 ARG 17 far 0 71 0 - 6.2-18.3 HB3 LYS 32 - HG3 ARG 17 far 0 57 0 - 6.3-22.4 HB3 ARG 82 - HG LEU 86 far 0 53 0 - 6.5-17.1 HB3 LYS 32 - HG2 ARG 17 far 0 57 0 - 7.3-20.7 HB3 ARG 17 - HG2 ARG 26 far 0 60 0 - 7.7-17.4 HB2 LYS 32 - HG3 ARG 17 far 0 57 0 - 7.7-23.1 HG3 ARG 26 - HG3 ARG 17 far 0 100 0 - 8.4-18.4 HB2 LYS 32 - HG2 ARG 17 far 0 57 0 - 8.7-21.5 HG2 PRO 34 - HG3 ARG 17 far 0 90 0 - 8.7-22.5 HG2 PRO 34 - HG2 ARG 17 far 0 90 0 - 8.9-22.3 HG3 ARG 26 - HG2 ARG 17 far 0 100 0 - 8.9-18.2 HB2 LEU 29 - HG2 ARG 27 far 0 48 0 - 9.0-10.6 HB2 LEU 29 - HG3 ARG 27 far 0 47 0 - 9.0-10.5 HB ILE 33 - HG2 ARG 27 far 0 52 0 - 9.3-10.6 HB ILE 33 - HG3 ARG 27 far 0 51 0 - 9.3-10.6 HG3 ARG 71 - HG2 ARG 26 far 0 57 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1182 from cnoeabs.peaks (1.62, 1.62, 27.10 ppm; diagonal): 9 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): 9 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 42 assignments used, quality = 1.00: * HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 78 78 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 78 78 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 49 49 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD3 ARG 27 - HG2 ARG 26 far 3 56 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 80 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 68 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 70 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 50 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 73 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 71 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 50 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 71 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 82 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 81 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 70 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.6-19.6 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (3.16, 1.62, 27.10 ppm; 3.04 A): 14 out of 42 assignments used, quality = 1.00: HD2 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 17 + HG3 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 79 79 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 78 78 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 78 78 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 51 51 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 51 51 100 100 2.4-3.0 2.9=100 HD3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 49 49 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 49 49 100 100 2.4-3.0 2.9=100 HD3 ARG 27 - HG2 ARG 26 far 3 56 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 59 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 56 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 80 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 68 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 70 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 50 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 59 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 60 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 61 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 73 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 71 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 50 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 60 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 82 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 71 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 81 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 82 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 62 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 81 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 58 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 63 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 92 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 70 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 92 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 93 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 93 0 - 8.6-19.6 HD2 ARG 82 - HG LEU 86 far 0 69 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.88 A increased from 4.59 A): 2 out of 29 assignments used, quality = 1.00: * HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 2.0-5.1 5.0=93, 1150/3.0=45...(36) HA ARG 17 + HD3 ARG 17 OK 95 100 95 100 2.1-5.5 5.0=93, 1150/3.0=45...(36) HA LEU 86 - HD2 ARG 84 poor 13 65 20 - 3.6-10.4 HA LEU 86 - HD3 ARG 84 far 7 67 10 - 3.3-10.1 HA LEU 64 - HD2 ARG 27 far 4 83 5 - 5.1-8.7 HA ALA 20 - HD2 ARG 26 far 4 78 5 - 4.4-13.3 HA ALA 20 - HD3 ARG 26 far 4 77 5 - 2.7-13.4 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 5.2-13.3 HA LEU 64 - HD3 ARG 27 far 0 83 0 - 5.3-9.1 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 5.8-14.1 HA GLU 19 - HD2 ARG 17 far 0 81 0 - 6.3-11.2 HA GLU 19 - HD3 ARG 26 far 0 69 0 - 6.4-14.4 HA LEU 64 - HD3 ARG 66 far 0 25 0 - 6.7-9.0 HA LEU 64 - HD2 ARG 66 far 0 22 0 - 6.8-8.6 HA GLU 19 - HD3 ARG 17 far 0 81 0 - 7.0-10.7 HA THR 88 - HD3 ARG 84 far 0 96 0 - 7.5-17.0 HA ALA 20 - HD2 ARG 23 far 0 87 0 - 7.8-14.9 HA GLU 19 - HD2 ARG 26 far 0 70 0 - 7.9-14.9 HA SER 60 - HD2 ARG 66 far 0 30 0 - 8.4-11.8 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 8.4-18.3 HA SER 60 - HD3 ARG 66 far 0 33 0 - 8.5-11.8 HA THR 88 - HD2 ARG 84 far 0 94 0 - 8.5-16.8 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.6-11.6 HA ASP 38 - HD2 ARG 71 far 0 83 0 - 8.7-14.0 HA ALA 20 - HD3 ARG 23 far 0 87 0 - 9.1-14.9 HA ALA 20 - HD3 ARG 27 far 0 84 0 - 9.2-17.8 HA ALA 12 - HD3 ARG 17 far 0 83 0 - 9.5-19.9 HA SER 60 - HD3 ARG 27 far 0 98 0 - 9.6-13.9 HA SER 60 - HD2 ARG 27 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 3.60 A increased from 2.88 A): 12 out of 49 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 98 98 100 100 2.1-3.8 3.5=100 * HB2 ARG 17 + HD2 ARG 17 OK 95 100 95 100 2.2-4.1 3.6=100 HB2 ARG 23 + HD2 ARG 23 OK 93 98 95 100 2.1-4.1 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 88 98 90 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 86 91 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 86 91 95 100 2.3-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 85 100 85 100 2.0-4.2 3.6=100 HB3 ARG 27 + HD3 ARG 27 OK 85 89 95 100 2.0-4.1 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 84 98 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 76 89 85 100 2.4-4.2 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 72 72 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 70 74 95 100 2.2-4.1 3.5=100 HB3 ARG 23 - HD2 ARG 27 far 5 96 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 5.5-9.4 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 89 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 83 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 79 0 - 6.9-11.7 HB2 ARG 23 - HD2 ARG 71 far 0 80 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 99 0 - 9.0-17.8 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1189 from cnoeabs.peaks (1.74, 3.16, 43.10 ppm; 3.01 A): 8 out of 52 assignments used, quality = 1.00: HG3 ARG 26 + HD2 ARG 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 100 100 2.3-3.0 3.0=100 * HB3 ARG 17 + HD2 ARG 17 OK 51 100 55 93 2.1-4.2 3.6=59, 1167/3.0=23...(23) HB3 ARG 17 + HD3 ARG 17 OK 47 100 50 94 2.2-3.8 3.6=59, 1167/3.0=23...(23) HB2 ARG 84 + HD2 ARG 84 OK 44 80 60 91 2.3-3.8 3.5=63, 3379/2.9=17...(21) HB2 ARG 84 + HD3 ARG 84 OK 41 82 55 91 2.1-4.2 3.5=63, 3380/2.9=17...(21) HB3 ARG 82 + HD2 ARG 82 OK 34 67 65 79 2.4-4.1 3.6=56, 5479/3.0=39...(4) HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 99 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 99 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 74 0 - 4.5-9.3 HB3 LYS 83 - HD3 ARG 84 far 0 62 0 - 4.8-9.0 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 4.9-21.8 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.1-8.6 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 5.1-12.1 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.2-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 72 0 - 5.2-10.1 HB3 LYS 83 - HD2 ARG 84 far 0 60 0 - 5.2-8.9 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 5.3-19.6 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.3-18.8 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 5.4-8.1 HB2 LEU 29 - HD2 ARG 26 far 0 56 0 - 5.4-9.7 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 5.4-12.4 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.6-11.1 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 5.7-18.1 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 5.9-18.0 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 100 0 - 6.1-17.7 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 6.2-23.0 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 6.5-22.6 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 77 0 - 7.1-12.3 HB3 LYS 83 - HD2 ARG 82 far 0 58 0 - 7.2-9.8 HG2 PRO 34 - HD2 ARG 17 far 0 90 0 - 7.7-21.4 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.8-17.3 HG2 PRO 34 - HD3 ARG 17 far 0 90 0 - 8.3-23.1 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 8.5-14.7 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 8.7-11.5 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 8.9-10.5 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.2-17.6 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 9.4-14.3 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 9.5-11.9 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 9.6-11.6 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 9.7-17.0 HB2 LEU 43 - HD2 ARG 66 far 0 21 0 - 9.8-13.5 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1190 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 62 assignments used, quality = 1.00: HG2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 1167/3.6=16...(22) * HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 1167/3.6=16...(20) HG3 ARG 17 + HD3 ARG 17 OK 94 100 100 94 2.4-3.0 3.0=86, 1158/3.6=12...(22) HG3 ARG 17 + HD2 ARG 17 OK 94 100 100 94 2.2-3.0 3.0=86, 2.9/1161=13...(20) HG2 ARG 26 + HD2 ARG 26 OK 87 93 100 94 2.2-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 86 91 100 94 2.3-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 85 91 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(29) HG2 ARG 27 + HD3 ARG 27 OK 84 91 100 93 2.3-3.0 3.0=88, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 83 89 100 93 2.2-3.0 3.0=88, 1439/5.4=7...(29) HG3 ARG 27 + HD3 ARG 27 OK 83 89 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(28) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 3.0=85, 3.8/2902=16...(16) HG3 ARG 84 + HD3 ARG 84 OK 63 65 100 97 2.4-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD3 ARG 84 OK 63 65 100 97 2.2-3.0 2.9=94, 3394/3.5=13...(15) HG3 ARG 84 + HD2 ARG 84 OK 61 62 100 97 2.2-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD2 ARG 84 OK 60 62 100 97 2.4-3.0 2.9=94, 3394/3.5=13...(15) HG2 ARG 26 - HD3 ARG 27 far 5 98 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 81 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 4.3-12.2 HG2 ARG 84 - HD2 ARG 82 far 0 60 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 94 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 60 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 83 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 82 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 92 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.4-12.5 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.8-17.1 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1191 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 62 assignments used, quality = 1.00: HG2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 1167/3.6=16...(22) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 1167/3.6=16...(20) HG3 ARG 17 + HD3 ARG 17 OK 94 100 100 94 2.4-3.0 3.0=86, 1158/3.6=12...(22) * HG3 ARG 17 + HD2 ARG 17 OK 94 100 100 94 2.2-3.0 3.0=86, 2.9/1161=13...(20) HG2 ARG 26 + HD2 ARG 26 OK 87 93 100 94 2.2-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 86 92 100 94 2.3-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 86 92 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 86 92 100 93 2.3-3.0 3.0=88, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 85 91 100 93 2.2-3.0 3.0=88, 1439/5.4=7...(30) HG3 ARG 27 + HD3 ARG 27 OK 84 91 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(28) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 3.0=85, 3.8/2902=16...(16) HG3 ARG 84 + HD3 ARG 84 OK 60 62 100 97 2.4-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD3 ARG 84 OK 60 62 100 97 2.2-3.0 2.9=94, 3394/3.5=13...(15) HG3 ARG 84 + HD2 ARG 84 OK 58 60 100 97 2.2-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD2 ARG 84 OK 58 60 100 97 2.4-3.0 2.9=94, 3394/3.5=13...(15) HG2 ARG 26 - HD3 ARG 27 far 5 98 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 80 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 74 0 - 4.3-12.2 HG2 ARG 84 - HD2 ARG 82 far 0 58 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 93 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 86 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 84 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 58 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 95 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 95 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 83 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 91 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.4-12.5 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.8-17.1 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1192 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 12 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 Peak 1193 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 12 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 Reference assignment not found: HD3 ARG 17 - HD2 ARG 17 Peak 1195 from cnoeabs.peaks (4.28, 3.16, 43.10 ppm; 4.88 A increased from 4.59 A): 2 out of 29 assignments used, quality = 1.00: HA ARG 17 + HD2 ARG 17 OK 100 100 100 100 2.0-5.1 5.0=93, 1150/3.0=45...(36) * HA ARG 17 + HD3 ARG 17 OK 95 100 95 100 2.1-5.5 5.0=93, 1150/3.0=45...(36) HA LEU 86 - HD2 ARG 84 poor 13 65 20 - 3.6-10.4 HA LEU 86 - HD3 ARG 84 far 7 67 10 - 3.3-10.1 HA LEU 64 - HD2 ARG 27 far 4 83 5 - 5.1-8.7 HA ALA 20 - HD2 ARG 26 far 4 78 5 - 4.4-13.3 HA ALA 20 - HD3 ARG 26 far 4 77 5 - 2.7-13.4 HA ALA 20 - HD3 ARG 17 far 0 89 0 - 5.2-13.3 HA LEU 64 - HD3 ARG 27 far 0 83 0 - 5.3-9.1 HA ALA 20 - HD2 ARG 17 far 0 89 0 - 5.8-14.1 HA GLU 19 - HD2 ARG 17 far 0 81 0 - 6.3-11.2 HA GLU 19 - HD3 ARG 26 far 0 69 0 - 6.4-14.4 HA LEU 64 - HD3 ARG 66 far 0 25 0 - 6.7-9.0 HA LEU 64 - HD2 ARG 66 far 0 22 0 - 6.8-8.6 HA GLU 19 - HD3 ARG 17 far 0 81 0 - 7.0-10.7 HA THR 88 - HD3 ARG 84 far 0 96 0 - 7.5-17.0 HA ALA 20 - HD2 ARG 23 far 0 87 0 - 7.8-14.9 HA GLU 19 - HD2 ARG 26 far 0 70 0 - 7.9-14.9 HA SER 60 - HD2 ARG 66 far 0 30 0 - 8.4-11.8 HA ARG 17 - HD3 ARG 26 far 0 92 0 - 8.4-18.3 HA SER 60 - HD3 ARG 66 far 0 33 0 - 8.5-11.8 HA THR 88 - HD2 ARG 84 far 0 94 0 - 8.5-16.8 HA LEU 64 - HD2 ARG 71 far 0 66 0 - 8.6-11.6 HA ASP 38 - HD2 ARG 71 far 0 83 0 - 8.7-14.0 HA ALA 20 - HD3 ARG 23 far 0 87 0 - 9.1-14.9 HA ALA 20 - HD3 ARG 27 far 0 84 0 - 9.2-17.8 HA ALA 12 - HD3 ARG 17 far 0 83 0 - 9.5-19.9 HA SER 60 - HD3 ARG 27 far 0 98 0 - 9.6-13.9 HA SER 60 - HD2 ARG 27 far 0 98 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (1.84, 3.16, 43.10 ppm; 3.60 A increased from 2.88 A): 12 out of 49 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 98 98 100 100 2.1-3.8 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 95 100 95 100 2.2-4.1 3.6=100 HB2 ARG 23 + HD2 ARG 23 OK 93 98 95 100 2.1-4.1 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 88 98 90 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 86 91 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 86 91 95 100 2.3-4.2 3.5=100 * HB2 ARG 17 + HD3 ARG 17 OK 85 100 85 100 2.0-4.2 3.6=100 HB3 ARG 27 + HD3 ARG 27 OK 85 89 95 100 2.0-4.1 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 84 98 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 76 89 85 100 2.4-4.2 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 72 72 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 70 74 95 100 2.2-4.1 3.5=100 HB3 ARG 23 - HD2 ARG 27 far 5 96 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 96 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 90 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 96 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 82 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 91 0 - 5.5-9.4 HB3 ARG 71 - HD2 ARG 27 far 0 89 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 91 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 91 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 89 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 83 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 89 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 83 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 89 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 93 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 68 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 79 0 - 6.9-11.7 HB2 ARG 23 - HD2 ARG 71 far 0 80 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 93 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 72 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 92 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 92 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 82 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 93 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 92 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 92 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 92 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 93 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 92 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 99 0 - 9.0-17.8 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (1.74, 3.16, 43.10 ppm; 3.01 A): 8 out of 52 assignments used, quality = 1.00: HG3 ARG 26 + HD2 ARG 26 OK 92 92 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HD2 ARG 71 OK 79 79 100 100 2.3-3.0 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 51 100 55 93 2.1-4.2 3.6=59, 1167/3.0=23...(23) * HB3 ARG 17 + HD3 ARG 17 OK 47 100 50 94 2.2-3.8 3.6=59, 1167/3.0=23...(23) HB2 ARG 84 + HD2 ARG 84 OK 44 80 60 91 2.3-3.8 3.5=63, 3379/2.9=17...(21) HB2 ARG 84 + HD3 ARG 84 OK 41 82 55 91 2.1-4.2 3.5=63, 3380/2.9=17...(21) HB3 ARG 82 + HD2 ARG 82 OK 34 67 65 79 2.4-4.1 3.6=56, 5479/3.0=39...(4) HG3 ARG 26 - HD3 ARG 27 far 0 97 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 99 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 99 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 74 0 - 4.5-9.3 HB3 LYS 83 - HD3 ARG 84 far 0 62 0 - 4.8-9.0 HB3 LYS 32 - HD3 ARG 17 far 0 57 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 57 0 - 4.9-21.8 HB2 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.1-8.6 HB3 ARG 82 - HD2 ARG 84 far 0 69 0 - 5.1-12.1 HB2 LEU 62 - HD2 ARG 66 far 0 30 0 - 5.2-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 97 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 72 0 - 5.2-10.1 HB3 LYS 83 - HD2 ARG 84 far 0 60 0 - 5.2-8.9 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 5.3-19.6 HB2 LEU 29 - HD3 ARG 17 far 0 65 0 - 5.3-18.8 HB2 LEU 62 - HD3 ARG 66 far 0 33 0 - 5.4-8.1 HB2 LEU 29 - HD2 ARG 26 far 0 56 0 - 5.4-9.7 HB3 ARG 82 - HD3 ARG 84 far 0 72 0 - 5.4-12.4 HG3 ARG 71 - HD2 ARG 27 far 0 96 0 - 5.6-11.1 HB2 LEU 29 - HD2 ARG 17 far 0 65 0 - 5.7-18.1 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 5.9-18.0 HG3 ARG 71 - HD3 ARG 27 far 0 96 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 69 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 100 0 - 6.1-17.7 HB2 LYS 32 - HD3 ARG 17 far 0 57 0 - 6.2-23.0 HB2 LYS 32 - HD2 ARG 17 far 0 57 0 - 6.5-22.6 HG3 ARG 26 - HD3 ARG 17 far 0 100 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 77 0 - 7.1-12.3 HB3 LYS 83 - HD2 ARG 82 far 0 58 0 - 7.2-9.8 HG2 PRO 34 - HD2 ARG 17 far 0 90 0 - 7.7-21.4 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.8-17.3 HG2 PRO 34 - HD3 ARG 17 far 0 90 0 - 8.3-23.1 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 8.5-14.7 HB2 LEU 29 - HD3 ARG 27 far 0 61 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 61 0 - 8.7-11.5 HB2 LEU 57 - HD3 ARG 66 far 0 20 0 - 8.9-10.5 HB3 ARG 17 - HD2 ARG 26 far 0 93 0 - 9.2-17.6 HG3 ARG 71 - HD2 ARG 66 far 0 28 0 - 9.4-14.3 HB ILE 33 - HD3 ARG 27 far 0 67 0 - 9.5-11.9 HB ILE 33 - HD2 ARG 27 far 0 67 0 - 9.6-11.6 HG3 ARG 26 - HD2 ARG 71 far 0 81 0 - 9.7-17.0 HB2 LEU 43 - HD2 ARG 66 far 0 21 0 - 9.8-13.5 HG3 ARG 71 - HD3 ARG 66 far 0 31 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1198 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 62 assignments used, quality = 1.00: * HG2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 1167/3.6=16...(22) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 1167/3.6=16...(20) HG3 ARG 17 + HD3 ARG 17 OK 94 100 100 94 2.4-3.0 3.0=86, 1158/3.6=12...(22) HG3 ARG 17 + HD2 ARG 17 OK 94 100 100 94 2.2-3.0 3.0=86, 2.9/1161=13...(20) HG2 ARG 26 + HD2 ARG 26 OK 87 93 100 94 2.2-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 86 91 100 94 2.3-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 85 91 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(29) HG2 ARG 27 + HD3 ARG 27 OK 84 91 100 93 2.3-3.0 3.0=88, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 83 89 100 93 2.2-3.0 3.0=88, 1439/5.4=7...(29) HG3 ARG 27 + HD3 ARG 27 OK 83 89 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(28) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 3.0=85, 3.8/2902=16...(16) HG3 ARG 84 + HD3 ARG 84 OK 63 65 100 97 2.4-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD3 ARG 84 OK 63 65 100 97 2.2-3.0 2.9=94, 3394/3.5=13...(15) HG3 ARG 84 + HD2 ARG 84 OK 61 62 100 97 2.2-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD2 ARG 84 OK 60 62 100 97 2.4-3.0 2.9=94, 3394/3.5=13...(15) HG2 ARG 26 - HD3 ARG 27 far 5 98 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 99 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 81 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 74 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 4.3-12.2 HG2 ARG 84 - HD2 ARG 82 far 0 60 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 94 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 99 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 72 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 83 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 60 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 99 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 83 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 99 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 74 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 82 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 24 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 92 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 79 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 71 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 79 0 - 9.4-12.5 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.8-17.1 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1199 from cnoeabs.peaks (1.62, 3.16, 43.10 ppm; 2.83 A): 15 out of 62 assignments used, quality = 1.00: HG2 ARG 17 + HD3 ARG 17 OK 95 100 100 95 2.3-3.0 3.0=86, 1167/3.6=16...(22) HG2 ARG 17 + HD2 ARG 17 OK 95 100 100 95 2.4-3.0 3.0=86, 1167/3.6=16...(20) * HG3 ARG 17 + HD3 ARG 17 OK 94 100 100 94 2.4-3.0 3.0=86, 1158/3.6=12...(22) HG3 ARG 17 + HD2 ARG 17 OK 94 100 100 94 2.2-3.0 3.0=86, 2.9/1161=13...(20) HG2 ARG 26 + HD2 ARG 26 OK 87 93 100 94 2.2-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 86 92 100 94 2.3-3.0 3.0=88, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 86 92 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 86 92 100 93 2.3-3.0 3.0=88, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 85 91 100 93 2.2-3.0 3.0=88, 1439/5.4=7...(30) HG3 ARG 27 + HD3 ARG 27 OK 84 91 100 93 2.6-3.0 3.0=88, 1439/5.4=7...(28) HG2 ARG 71 + HD2 ARG 71 OK 77 83 100 93 2.3-3.0 3.0=85, 3.8/2902=16...(16) HG3 ARG 84 + HD3 ARG 84 OK 60 62 100 97 2.4-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD3 ARG 84 OK 60 62 100 97 2.2-3.0 2.9=94, 3394/3.5=13...(15) HG3 ARG 84 + HD2 ARG 84 OK 58 60 100 97 2.2-3.0 2.9=94, 3402/3.5=13...(15) HG2 ARG 84 + HD2 ARG 84 OK 58 60 100 97 2.4-3.0 2.9=94, 3394/3.5=13...(15) HG2 ARG 26 - HD3 ARG 27 far 5 98 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 100 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 98 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 80 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 72 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 98 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 74 0 - 4.3-12.2 HG2 ARG 84 - HD2 ARG 82 far 0 58 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 93 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 100 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 100 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 74 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 86 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 98 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 84 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 58 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 100 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 98 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 95 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 85 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 98 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 95 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 75 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 96 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 29 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 32 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 99 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 83 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 99 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 21 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 23 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 91 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 78 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 100 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 69 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 78 0 - 9.4-12.5 HD3 LYS 73 - HD2 ARG 66 far 0 28 0 - 9.8-17.1 HG2 ARG 71 - HD3 ARG 66 far 0 33 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 30 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1200 from cnoeabs.peaks (3.16, 3.16, 43.10 ppm; diagonal): 12 out of 12 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 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 12 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 Peak 1202 from cnoeabs.peaks (3.93, 3.93, 45.09 ppm; diagonal): 4 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): 4 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): 4 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): 4 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; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 19 + HA GLU 19 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 83 + HA LYS 83 OK 87 87 100 100 2.8-2.9 2.9=100 H GLU 19 - HA ARG 17 far 0 80 0 - 4.0-6.9 H LYS 83 - HA LYS 85 far 0 49 0 - 6.3-9.1 H ASP 24 - HA GLU 19 far 0 93 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (4.26, 4.26, 56.28 ppm; diagonal): 4 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; 3.52 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 19 + HA GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 - HA LYS 85 far 0 54 0 - 5.2-9.3 HB2 GLU 19 - HA ARG 17 far 0 80 0 - 5.3-10.1 HB3 PRO 14 - HA ARG 17 far 0 54 0 - 6.2-12.4 HB3 ARG 26 - HA GLU 19 far 0 60 0 - 7.6-15.7 HB3 ARG 26 - HA ARG 17 far 0 41 0 - 8.9-18.8 HB2 MET 31 - HA ARG 17 far 0 48 0 - 9.0-19.2 HB VAL 41 - HA ARG 17 far 0 60 0 - 9.1-24.8 HB3 PRO 14 - HA LYS 85 far 0 34 0 - 9.6-65.8 HB3 GLU 87 - HA LYS 83 far 0 92 0 - 9.7-15.3 HG12 ILE 40 - HA ARG 17 far 0 79 0 - 10.0-21.5 Violated in 0 structures by 0.00 A. Peak 1209 from cnoeabs.peaks (2.04, 4.26, 56.28 ppm; 3.41 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLU 19 + HA GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 19 - HA ARG 17 far 0 80 0 - 5.5-9.2 HB3 GLU 25 - HA GLU 19 far 0 90 0 - 5.8-10.8 HB2 GLU 87 - HA LYS 85 far 0 52 0 - 6.0-9.0 HB2 GLU 25 - HA GLU 19 far 0 92 0 - 6.8-11.0 HB3 GLU 25 - HA ARG 17 far 0 67 0 - 7.5-13.3 HB2 GLU 25 - HA ARG 17 far 0 68 0 - 9.2-14.6 HB2 GLU 87 - HA LYS 83 far 0 89 0 - 9.4-15.3 HB VAL 76 - HA LYS 83 far 0 90 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.90 A increased from 3.67 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 19 + HA GLU 19 OK 100 100 100 100 2.2-3.8 3.9=100 HG3 GLU 19 + HA GLU 19 OK 90 100 90 100 2.3-4.2 3.9=100 HG2 GLU 87 - HA LYS 85 far 2 43 5 - 3.1-10.4 HG3 GLU 87 - HA LYS 85 far 0 44 0 - 4.2-9.7 HG3 GLU 19 - HA ARG 17 far 0 80 0 - 5.1-10.6 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 5.1-10.6 HG2 GLU 19 - HA ARG 17 far 0 80 0 - 5.5-9.4 HG2 GLU 87 - HA LYS 83 far 0 78 0 - 8.4-17.2 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 8.5-15.3 HG3 GLU 87 - HA LYS 83 far 0 80 0 - 9.2-16.6 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (2.23, 4.26, 56.28 ppm; 3.90 A increased from 3.67 A): 2 out of 10 assignments used, quality = 1.00: HG2 GLU 19 + HA GLU 19 OK 100 100 100 100 2.2-3.8 3.9=100 * HG3 GLU 19 + HA GLU 19 OK 90 100 90 100 2.3-4.2 3.9=100 HG2 GLU 87 - HA LYS 85 far 2 43 5 - 3.1-10.4 HG3 GLU 87 - HA LYS 85 far 0 44 0 - 4.2-9.7 HG3 GLU 19 - HA ARG 17 far 0 80 0 - 5.1-10.6 HG2 GLU 25 - HA GLU 19 far 0 63 0 - 5.1-10.6 HG2 GLU 19 - HA ARG 17 far 0 80 0 - 5.5-9.4 HG2 GLU 87 - HA LYS 83 far 0 78 0 - 8.4-17.2 HG2 GLU 25 - HA ARG 17 far 0 44 0 - 8.5-15.3 HG3 GLU 87 - HA LYS 83 far 0 80 0 - 9.2-16.6 Violated in 0 structures by 0.00 A. Peak 1212 from cnoeabs.peaks (8.32, 1.91, 30.05 ppm; 4.54 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.2-3.8 3.9=100 H GLU 19 - HB3 ARG 26 far 0 59 0 - 5.8-15.5 H ASP 24 - HB2 GLU 19 far 0 93 0 - 6.3-15.4 H ASP 24 - HB3 ARG 26 far 0 50 0 - 6.6-7.9 H LYS 83 - HB3 GLU 87 far 0 86 0 - 9.5-17.0 Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (4.26, 1.91, 30.05 ppm; 3.73 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 88 - HB3 GLU 87 far 0 64 0 - 4.1-6.0 HA ALA 20 - HB2 GLU 19 far 0 100 0 - 4.2-6.0 HA ALA 20 - HB3 ARG 26 far 0 58 0 - 4.2-13.1 HA LYS 85 - HB3 GLU 87 far 0 52 0 - 5.2-9.3 HA ARG 17 - HB2 GLU 19 far 0 81 0 - 5.3-10.1 HA ASP 38 - HB2 GLU 19 far 0 78 0 - 6.8-19.3 HA THR 88 - HB2 GLN 91 far 0 35 0 - 7.5-12.8 HA GLU 19 - HB3 ARG 26 far 0 59 0 - 7.6-15.7 HA THR 15 - HB2 GLU 19 far 0 97 0 - 8.0-16.0 HA ARG 17 - HB3 ARG 26 far 0 41 0 - 8.9-18.8 HA THR 15 - HB2 GLN 91 far 0 49 0 - 9.6-78.5 HA LYS 83 - HB3 GLU 87 far 0 81 0 - 9.7-15.3 Violated in 0 structures by 0.00 A. Peak 1214 from cnoeabs.peaks (1.91, 1.91, 30.05 ppm; diagonal): 4 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 14 assignments used, quality = 1.00: * HB3 GLU 19 + HB2 GLU 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 87 + HB3 GLU 87 OK 89 89 100 100 1.8-1.8 1.8=100 HB3 GLN 91 + HB2 GLN 91 OK 54 54 100 100 1.8-1.8 1.8=100 HB VAL 90 - HB2 GLN 91 far 0 39 0 - 3.4-7.5 HB2 GLU 25 - HB3 ARG 26 far 0 49 0 - 4.5-7.2 HB3 GLU 25 - HB3 ARG 26 far 0 48 0 - 4.5-7.0 HB3 GLU 25 - HB2 GLU 19 far 0 90 0 - 4.9-11.7 HB2 GLU 25 - HB2 GLU 19 far 0 92 0 - 5.9-12.0 HB3 GLU 19 - HB3 ARG 26 far 0 59 0 - 6.3-17.2 HG2 PRO 44 - HB2 GLN 91 far 0 51 0 - 6.8-49.6 HB VAL 90 - HB3 GLU 87 far 0 70 0 - 7.1-12.7 HB2 GLU 50 - HB2 GLN 91 far 0 54 0 - 9.1-54.9 HB VAL 45 - HB3 GLU 87 far 0 55 0 - 9.2-36.9 HG2 PRO 44 - HB3 GLU 87 far 0 87 0 - 9.9-40.8 Violated in 0 structures by 0.00 A. Peak 1216 from cnoeabs.peaks (2.23, 1.91, 30.05 ppm; 3.09 A): 4 out of 11 assignments used, quality = 1.00: HG3 GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 4.2-11.6 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.9-8.3 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 6.8-19.1 HG2 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.4-18.0 HG3 GLU 50 - HB2 GLN 91 far 0 33 0 - 9.3-56.4 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.5-17.6 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (2.23, 1.91, 30.05 ppm; 3.09 A): 4 out of 11 assignments used, quality = 1.00: * HG3 GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 GLU 25 - HB2 GLU 19 far 0 63 0 - 4.2-11.6 HG2 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.9-8.3 HG3 GLU 19 - HB3 ARG 26 far 0 59 0 - 6.8-19.1 HG2 GLU 19 - HB3 ARG 26 far 0 59 0 - 7.4-18.0 HG3 GLU 50 - HB2 GLN 91 far 0 33 0 - 9.3-56.4 HG2 GLU 87 - HB2 GLN 91 far 0 44 0 - 9.5-17.6 HG3 GLU 87 - HB2 GLN 91 far 0 45 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (8.32, 2.04, 30.05 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 19 + HB3 GLU 19 OK 100 100 100 100 2.6-4.0 3.9=100 H ASP 24 - HB3 GLU 19 far 0 93 0 - 6.5-15.3 H LYS 83 - HB2 GLU 87 far 0 84 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 1219 from cnoeabs.peaks (4.26, 2.04, 30.05 ppm; 3.94 A): 1 out of 10 assignments used, quality = 1.00: * HA GLU 19 + HB3 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 20 - HB3 GLU 19 far 10 100 10 - 4.1-5.9 HA THR 88 - HB2 GLU 87 far 6 62 10 - 4.2-6.2 HA ARG 17 - HB3 GLU 19 far 0 81 0 - 5.5-9.2 HA LYS 85 - HB2 GLU 87 far 0 50 0 - 6.0-9.0 HA THR 88 - HB3 GLN 91 far 0 40 0 - 8.1-12.8 HA ASP 38 - HB3 GLU 19 far 0 78 0 - 8.2-18.7 HA THR 15 - HB3 GLU 19 far 0 97 0 - 9.2-15.7 HA LYS 83 - HB2 GLU 87 far 0 79 0 - 9.4-15.3 HA THR 15 - HB3 GLN 91 far 0 57 0 - 9.8-79.9 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (1.91, 2.04, 30.05 ppm; 2.40 A): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 19 + HB3 GLU 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 87 + HB2 GLU 87 OK 89 89 100 100 1.8-1.8 1.8=100 HB2 GLN 91 + HB3 GLN 91 OK 54 54 100 100 1.8-1.8 1.8=100 HB3 ARG 26 - HB3 GLU 19 far 0 60 0 - 6.3-17.2 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 0.89: * HG2 GLU 19 + HB3 GLU 19 OK 54 100 70 77 2.3-3.0 3.0=69, 1.8/1348=9...(8) HG3 GLU 87 + HB2 GLU 87 OK 49 77 80 80 2.2-3.0 3.0=71, 1.8/2205=9...(10) HG3 GLU 19 + HB3 GLU 19 OK 35 100 45 78 2.3-3.0 3.0=69, 1.8/3581=12...(8) HG2 GLU 87 + HB2 GLU 87 OK 28 76 45 81 2.4-3.0 3.0=71, 1.8/2205=16...(10) HG2 GLU 25 - HB3 GLU 19 far 0 63 0 - 3.6-11.2 HG3 GLU 50 - HB3 GLN 91 far 0 38 0 - 9.3-57.3 Violated in 0 structures by 0.00 A. Peak 1223 from cnoeabs.peaks (2.23, 2.04, 30.05 ppm; 2.66 A): 4 out of 6 assignments used, quality = 0.89: HG2 GLU 19 + HB3 GLU 19 OK 54 100 70 77 2.3-3.0 3.0=69, 1.8/1348=9...(8) HG3 GLU 87 + HB2 GLU 87 OK 49 77 80 80 2.2-3.0 3.0=71, 1.8/2205=9...(10) * HG3 GLU 19 + HB3 GLU 19 OK 35 100 45 78 2.3-3.0 3.0=69, 1.8/3581=12...(8) HG2 GLU 87 + HB2 GLU 87 OK 28 76 45 81 2.4-3.0 3.0=71, 1.8/2205=16...(10) HG2 GLU 25 - HB3 GLU 19 far 0 63 0 - 3.6-11.2 HG3 GLU 50 - HB3 GLN 91 far 0 38 0 - 9.3-57.3 Violated in 0 structures by 0.00 A. Peak 1224 from cnoeabs.peaks (8.32, 2.23, 36.01 ppm; 4.85 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-5.1 4.9=96, 493/3.0=82...(8) H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.4-4.8 4.9=96, 493/3.0=82...(8) H ASP 24 - HG2 GLU 25 poor 12 53 40 56 4.6-6.4 903/5.0=49, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 0 62 0 - 5.2-11.0 H ASP 24 - HG3 GLU 19 far 0 93 0 - 6.3-17.3 H ASP 24 - HG2 GLU 19 far 0 93 0 - 7.8-16.8 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.0-18.2 H LYS 83 - HG2 GLU 87 far 0 85 0 - 9.8-18.7 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 2 out of 25 assignments used, quality = 1.00: * HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-3.8 3.9=100 HA GLU 19 + HG3 GLU 19 OK 95 100 95 100 2.3-4.2 3.9=100 HA ALA 20 - HG3 GLU 19 far 15 100 15 - 3.5-7.1 HA ALA 20 - HG2 GLU 19 far 10 100 10 - 4.0-6.8 HA THR 88 - HG3 GLU 87 far 6 64 10 - 3.6-6.8 HA ALA 20 - HG2 GLU 25 far 3 61 5 - 4.1-8.6 HA LYS 85 - HG3 GLU 87 far 3 52 5 - 4.2-9.7 HA LYS 85 - HG2 GLU 87 far 3 51 5 - 3.1-10.4 HA THR 88 - HG2 GLU 87 far 0 63 0 - 4.4-6.7 HA ARG 17 - HG3 GLU 19 far 0 81 0 - 5.1-10.6 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 5.1-10.6 HA ARG 17 - HG2 GLU 19 far 0 81 0 - 5.5-9.4 HA THR 15 - HG2 GLU 25 far 0 56 0 - 6.8-22.1 HA ASP 38 - HG2 GLU 19 far 0 78 0 - 7.3-19.8 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 7.6-20.0 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 7.7-10.2 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 7.8-23.1 HA THR 15 - HG3 GLU 19 far 0 97 0 - 8.3-15.9 HA LYS 83 - HG2 GLU 87 far 0 80 0 - 8.4-17.2 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 8.5-15.3 HA THR 15 - HG2 GLU 19 far 0 97 0 - 8.6-15.6 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 9.2-23.2 HA LYS 83 - HG3 GLU 87 far 0 82 0 - 9.2-16.6 HA LYS 75 - HG3 GLU 19 far 0 95 0 - 9.5-27.7 HA LYS 75 - HG2 GLU 19 far 0 95 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1226 from cnoeabs.peaks (1.91, 2.23, 36.01 ppm; 3.61 A): 4 out of 14 assignments used, quality = 1.00: HB2 GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.3-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-3.0 3.0=100 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.2-11.6 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 4.9-8.3 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 6.8-19.1 HB3 ARG 26 - HG2 GLU 19 far 0 60 0 - 7.4-18.0 HB2 GLN 91 - HG3 GLU 50 far 0 65 0 - 9.3-56.4 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 9.3-22.8 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.5-17.6 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.6-21.8 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 9.8-16.7 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 1227 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 7 out of 22 assignments used, quality = 0.98: HB2 GLU 50 + HG3 GLU 50 OK 56 73 95 80 2.3-2.9 3.0=64, 1.8/2196=19...(6) HB2 GLU 87 + HG3 GLU 87 OK 54 89 80 75 2.2-3.0 3.0=64, 3566/1.8=13...(8) * HB3 GLU 19 + HG2 GLU 19 OK 51 100 70 72 2.3-3.0 3.0=62, 1223/1.8=13...(6) HB2 GLU 25 + HG2 GLU 25 OK 40 52 90 85 2.2-3.0 3.0=63, 1.8/1344=17...(9) HB3 GLU 19 + HG3 GLU 19 OK 34 100 45 75 2.3-3.0 3.0=62, 1223/1.8=19...(6) HB2 GLU 87 + HG2 GLU 87 OK 31 88 45 77 2.4-3.0 3.0=64, 3566/1.8=22...(8) HB3 GLU 25 + HG2 GLU 25 OK 24 50 55 85 2.4-3.0 3.0=63, 1.8/1338=17...(9) HB3 GLU 50 - HG3 GLU 50 far 7 73 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 90 0 - 3.0-13.8 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 3.6-11.2 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 8.0-13.2 HB VAL 45 - HG3 GLU 87 far 0 55 0 - 8.8-39.1 HB3 GLN 91 - HG3 GLU 50 far 0 73 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 99 0 - 9.4-29.3 HB VAL 45 - HG2 GLU 87 far 0 53 0 - 9.4-38.9 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 9.4-10.8 HB VAL 76 - HG3 GLU 19 far 0 99 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 6 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): 6 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; 4.85 A): 2 out of 8 assignments used, quality = 1.00: H GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-5.1 4.9=96, 493/3.0=82...(8) * H GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.4-4.8 4.9=96, 493/3.0=82...(8) H ASP 24 - HG2 GLU 25 poor 12 53 40 56 4.6-6.4 903/5.0=49, 5320/5498=14 H GLU 19 - HG2 GLU 25 far 0 62 0 - 5.2-11.0 H ASP 24 - HG3 GLU 19 far 0 93 0 - 6.3-17.3 H ASP 24 - HG2 GLU 19 far 0 93 0 - 7.8-16.8 H LYS 83 - HG3 GLU 87 far 0 87 0 - 9.0-18.2 H LYS 83 - HG2 GLU 87 far 0 85 0 - 9.8-18.7 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (4.26, 2.23, 36.01 ppm; 3.93 A): 2 out of 25 assignments used, quality = 1.00: HA GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.2-3.8 3.9=100 * HA GLU 19 + HG3 GLU 19 OK 95 100 95 100 2.3-4.2 3.9=100 HA ALA 20 - HG3 GLU 19 far 15 100 15 - 3.5-7.1 HA ALA 20 - HG2 GLU 19 far 10 100 10 - 4.0-6.8 HA THR 88 - HG3 GLU 87 far 6 64 10 - 3.6-6.8 HA ALA 20 - HG2 GLU 25 far 3 61 5 - 4.1-8.6 HA LYS 85 - HG3 GLU 87 far 3 52 5 - 4.2-9.7 HA LYS 85 - HG2 GLU 87 far 3 51 5 - 3.1-10.4 HA THR 88 - HG2 GLU 87 far 0 63 0 - 4.4-6.7 HA ARG 17 - HG3 GLU 19 far 0 81 0 - 5.1-10.6 HA GLU 19 - HG2 GLU 25 far 0 62 0 - 5.1-10.6 HA ARG 17 - HG2 GLU 19 far 0 81 0 - 5.5-9.4 HA THR 15 - HG2 GLU 25 far 0 56 0 - 6.8-22.1 HA ASP 38 - HG2 GLU 19 far 0 78 0 - 7.3-19.8 HA ASP 38 - HG3 GLU 19 far 0 78 0 - 7.6-20.0 HA ASP 38 - HG2 GLU 25 far 0 41 0 - 7.7-10.2 HA LYS 39 - HG3 GLU 19 far 0 99 0 - 7.8-23.1 HA THR 15 - HG3 GLU 19 far 0 97 0 - 8.3-15.9 HA LYS 83 - HG2 GLU 87 far 0 80 0 - 8.4-17.2 HA ARG 17 - HG2 GLU 25 far 0 43 0 - 8.5-15.3 HA THR 15 - HG2 GLU 19 far 0 97 0 - 8.6-15.6 HA LYS 39 - HG2 GLU 19 far 0 99 0 - 9.2-23.2 HA LYS 83 - HG3 GLU 87 far 0 82 0 - 9.2-16.6 HA LYS 75 - HG3 GLU 19 far 0 95 0 - 9.5-27.7 HA LYS 75 - HG2 GLU 19 far 0 95 0 - 10.0-26.8 Violated in 0 structures by 0.00 A. Peak 1232 from cnoeabs.peaks (1.91, 2.23, 36.01 ppm; 3.61 A): 4 out of 14 assignments used, quality = 1.00: * HB2 GLU 19 + HG3 GLU 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 92 92 100 100 2.3-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 90 90 100 100 2.3-3.0 3.0=100 HB2 GLU 19 - HG2 GLU 25 far 0 62 0 - 4.2-11.6 HB3 ARG 26 - HG2 GLU 25 far 0 30 0 - 4.9-8.3 HB3 ARG 26 - HG3 GLU 19 far 0 60 0 - 6.8-19.1 HB3 ARG 26 - HG2 GLU 19 far 0 60 0 - 7.4-18.0 HB2 GLN 91 - HG3 GLU 50 far 0 65 0 - 9.3-56.4 HB VAL 41 - HG2 GLU 19 far 0 83 0 - 9.3-22.8 HB2 GLN 91 - HG2 GLU 87 far 0 81 0 - 9.5-17.6 HG12 ILE 40 - HG3 GLU 19 far 0 100 0 - 9.6-21.8 HB2 GLN 91 - HG3 GLU 87 far 0 83 0 - 9.8-16.7 HG13 ILE 68 - HG2 GLU 25 far 0 53 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (2.04, 2.23, 36.01 ppm; 2.57 A): 7 out of 22 assignments used, quality = 0.98: HB2 GLU 50 + HG3 GLU 50 OK 56 73 95 80 2.3-2.9 3.0=64, 1.8/2196=19...(6) HB2 GLU 87 + HG3 GLU 87 OK 54 89 80 75 2.2-3.0 3.0=64, 3566/1.8=13...(8) HB3 GLU 19 + HG2 GLU 19 OK 51 100 70 72 2.3-3.0 3.0=62, 1223/1.8=13...(6) HB2 GLU 25 + HG2 GLU 25 OK 40 52 90 85 2.2-3.0 3.0=63, 1.8/1344=17...(9) * HB3 GLU 19 + HG3 GLU 19 OK 34 100 45 75 2.3-3.0 3.0=62, 1223/1.8=19...(6) HB2 GLU 87 + HG2 GLU 87 OK 31 88 45 77 2.4-3.0 3.0=64, 3566/1.8=22...(8) HB3 GLU 25 + HG2 GLU 25 OK 24 50 55 85 2.4-3.0 3.0=63, 1.8/1338=17...(9) HB3 GLU 50 - HG3 GLU 50 far 7 73 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 90 0 - 3.0-13.8 HB3 GLU 19 - HG2 GLU 25 far 0 62 0 - 3.6-11.2 HB3 GLU 25 - HG2 GLU 19 far 0 90 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 92 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 92 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 69 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 71 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 69 0 - 8.0-13.2 HB VAL 45 - HG3 GLU 87 far 0 55 0 - 8.8-39.1 HB3 GLN 91 - HG3 GLU 50 far 0 73 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 99 0 - 9.4-29.3 HB VAL 45 - HG2 GLU 87 far 0 53 0 - 9.4-38.9 HB VAL 45 - HG3 GLU 50 far 0 41 0 - 9.4-10.8 HB VAL 76 - HG3 GLU 19 far 0 99 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (2.23, 2.23, 36.01 ppm; diagonal): 6 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): 6 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 1 assignment used, quality = 1.00: * H ALA 20 + HA ALA 20 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1237 from cnoeabs.peaks (4.26, 4.26, 52.94 ppm; diagonal): 2 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 9 assignments used, quality = 1.00: * QB ALA 20 + HA ALA 20 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 77 + HA ALA 77 OK 49 49 100 100 2.1-2.1 2.1=100 HG3 LYS 73 - HA ALA 77 far 0 45 0 - 4.9-8.7 QB ALA 78 - HA ALA 77 far 0 45 0 - 4.9-5.0 HG2 LYS 75 - HA ALA 77 far 0 43 0 - 6.9-9.2 HG2 LYS 83 - HA ALA 77 far 0 46 0 - 7.1-14.8 QB ALA 16 - HA ALA 20 far 0 87 0 - 7.3-12.1 HG3 LYS 75 - HA ALA 77 far 0 43 0 - 7.5-9.9 HG3 LYS 39 - HA ALA 20 far 0 65 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 1239 from cnoeabs.peaks (8.45, 1.38, 18.75 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 20 + QB ALA 20 OK 100 100 100 100 2.0-2.8 2.9=100 H ALA 20 - QB ALA 16 far 0 55 0 - 6.2-10.3 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (4.26, 1.38, 18.75 ppm; 2.60 A): 2 out of 20 assignments used, quality = 1.00: * HA ALA 20 + QB ALA 20 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 77 + QB ALA 77 OK 62 62 100 100 2.1-2.1 2.1=100 HA LYS 75 - QB ALA 78 far 4 81 5 - 2.7-7.8 HA ARG 17 - QB ALA 20 far 0 89 0 - 3.5-10.5 HA THR 15 - QB ALA 16 far 0 45 0 - 3.7-5.0 HA GLU 19 - QB ALA 20 far 0 100 0 - 3.8-5.0 HA ARG 17 - QB ALA 16 far 0 43 0 - 3.8-4.4 HA LYS 75 - QB ALA 77 far 0 88 0 - 4.2-5.8 HA GLU 19 - QB ALA 16 far 0 54 0 - 4.2-9.6 HA ALA 77 - QB ALA 78 far 0 56 0 - 4.9-5.0 HA ASP 38 - QB ALA 20 far 0 87 0 - 5.4-14.9 HA LYS 83 - QB ALA 78 far 0 79 0 - 6.1-11.2 HA LYS 39 - QB ALA 16 far 0 50 0 - 7.0-22.6 HA ASP 38 - QB ALA 16 far 0 42 0 - 7.2-21.3 HA ALA 20 - QB ALA 16 far 0 55 0 - 7.3-12.1 HA LYS 39 - QB ALA 20 far 0 97 0 - 7.4-17.9 HA ALA 12 - QB ALA 16 far 0 54 0 - 7.4-12.2 HA LYS 83 - QB ALA 77 far 0 86 0 - 8.3-10.8 HA THR 15 - QB ALA 20 far 0 92 0 - 8.6-15.6 HA LYS 83 - QB ALA 16 far 0 42 0 - 9.6-43.5 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (1.38, 1.38, 18.75 ppm; diagonal): 4 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; 3.66 A): 4 out of 12 assignments used, quality = 1.00: * H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.4-2.9 2.9=100 H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.3-3.0 2.9=100 H GLY 18 + HA3 GLY 18 OK 56 56 100 100 2.3-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 54 54 100 100 2.3-3.0 3.0=100 H ARG 17 - HA3 GLY 18 far 0 63 0 - 4.3-6.1 H ARG 17 - HA2 GLY 18 far 0 61 0 - 4.7-5.8 H GLY 21 - HA3 GLY 18 far 0 67 0 - 6.9-9.6 H GLY 21 - HA2 GLY 18 far 0 65 0 - 7.0-10.2 H GLY 18 - HA3 GLY 21 far 0 92 0 - 7.1-11.4 H GLY 18 - HA2 GLY 21 far 0 92 0 - 7.2-12.0 H ARG 17 - HA2 GLY 21 far 0 98 0 - 8.0-15.6 H ARG 17 - HA3 GLY 21 far 0 98 0 - 8.9-14.9 Violated in 0 structures by 0.00 A. Peak 1243 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 4 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): 4 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; 3.66 A): 4 out of 12 assignments used, quality = 1.00: * H GLY 21 + HA3 GLY 21 OK 100 100 100 100 2.3-3.0 2.9=100 H GLY 21 + HA2 GLY 21 OK 100 100 100 100 2.4-2.9 2.9=100 H GLY 18 + HA3 GLY 18 OK 58 58 100 100 2.3-3.0 3.0=100 H GLY 18 + HA2 GLY 18 OK 56 56 100 100 2.3-3.0 3.0=100 H ARG 17 - HA3 GLY 18 far 0 65 0 - 4.3-6.1 H ARG 17 - HA2 GLY 18 far 0 63 0 - 4.7-5.8 H GLY 21 - HA3 GLY 18 far 0 70 0 - 6.9-9.6 H GLY 21 - HA2 GLY 18 far 0 67 0 - 7.0-10.2 H GLY 18 - HA3 GLY 21 far 0 92 0 - 7.1-11.4 H GLY 18 - HA2 GLY 21 far 0 92 0 - 7.2-12.0 H ARG 17 - HA2 GLY 21 far 0 98 0 - 8.0-15.6 H ARG 17 - HA3 GLY 21 far 0 98 0 - 8.9-14.9 Violated in 0 structures by 0.00 A. Peak 1246 from cnoeabs.peaks (3.95, 3.95, 45.26 ppm; diagonal): 4 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): 4 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; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * H SER 22 + HA SER 22 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 25 - HA SER 22 far 15 97 15 - 4.3-4.8 H GLN 79 - HA TYR 81 far 0 94 0 - 6.0-7.0 H ALA 77 - HA TYR 81 far 0 84 0 - 6.5-9.2 H ARG 84 - HA TYR 81 far 0 88 0 - 7.4-9.5 H ALA 28 - HA SER 22 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 SER 22 + HA SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (3.89, 4.45, 58.33 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 22 + HA SER 22 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (8.21, 4.01, 63.89 ppm; 4.60 A): 2 out of 3 assignments used, quality = 1.00: * H SER 22 + HB2 SER 22 OK 100 100 100 100 2.5-4.1 3.9=100 H GLU 25 + HB2 SER 22 OK 95 97 100 98 2.6-4.7 5085=77, 5084/1.8=56...(5) H ALA 28 - HB2 SER 22 far 0 100 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (4.45, 4.01, 63.89 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 22 + HB2 SER 22 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 SER 22 + HB2 SER 22 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1256 from cnoeabs.peaks (8.21, 3.89, 63.89 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: * H SER 22 + HB3 SER 22 OK 100 100 100 100 2.3-4.0 3.9=100 H GLU 25 + HB3 SER 22 OK 95 97 100 98 2.2-4.3 5085/1.8=70, 5084=53...(7) H ALA 28 - HB3 SER 22 far 0 100 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (4.45, 3.89, 63.89 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 22 + HB3 SER 22 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (4.01, 3.89, 63.89 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 22 + HB3 SER 22 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ARG 23 + HA ARG 23 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 23 - HA ARG 27 far 0 74 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.5-3.0 3.0=90, 3.0/1264=34...(7) HB3 ARG 23 + HA ARG 23 OK 95 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(7) HB2 ARG 27 + HA ARG 27 OK 71 73 100 99 2.8-3.0 3.0=92, 535/3.0=30...(22) HB3 ARG 27 + HA ARG 27 OK 71 72 100 99 2.4-2.9 3.0=92, 2.9/1439=18...(26) HB2 ARG 27 - HA ARG 23 far 0 99 0 - 5.1-8.0 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 6.7-9.3 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.8-9.0 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 7.6-9.9 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 9.6-13.1 HB2 ARG 17 - HA ARG 27 far 0 72 0 - 9.6-19.8 HB2 ARG 71 - HA ARG 27 far 0 73 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (1.85, 4.13, 58.01 ppm; 2.89 A): 4 out of 11 assignments used, quality = 1.00: HB2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.5-3.0 3.0=90, 3.0/1264=34...(7) * HB3 ARG 23 + HA ARG 23 OK 96 100 100 96 2.4-3.0 3.0=90, 3.0/1264=34...(7) HB2 ARG 27 + HA ARG 27 OK 72 73 100 99 2.8-3.0 3.0=92, 535/3.0=30...(22) HB3 ARG 27 + HA ARG 27 OK 72 73 100 99 2.4-2.9 3.0=92, 2.9/1439=18...(26) HB2 ARG 27 - HA ARG 23 far 0 100 0 - 5.1-8.0 HB3 ARG 27 - HA ARG 23 far 0 99 0 - 6.7-9.3 HB3 ARG 23 - HA ARG 27 far 0 74 0 - 6.8-9.0 HB2 ARG 23 - HA ARG 27 far 0 74 0 - 7.6-9.9 HB3 ARG 71 - HA ARG 23 far 0 99 0 - 9.6-13.1 HB2 ARG 17 - HA ARG 27 far 0 71 0 - 9.6-19.8 HB2 ARG 71 - HA ARG 27 far 0 73 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (1.67, 4.13, 58.01 ppm; 3.67 A): 1 out of 8 assignments used, quality = 0.96: * HG2 ARG 23 + HA ARG 23 OK 96 100 100 96 2.1-3.6 1285=90, 1272/3.0=30...(9) HG LEU 29 - HA ARG 27 far 0 74 0 - 4.8-5.0 HB3 LEU 64 - HA ARG 27 far 0 41 0 - 6.3-6.8 HG2 ARG 23 - HA ARG 27 far 0 74 0 - 7.1-10.4 HG LEU 29 - HA ARG 23 far 0 100 0 - 7.6-8.6 HD2 LYS 75 - HA ARG 23 far 0 99 0 - 8.5-18.2 HD3 LYS 75 - HA ARG 23 far 0 99 0 - 9.1-16.5 HB3 GLN 61 - HA ARG 27 far 0 68 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (1.54, 4.13, 58.01 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 23 + HA ARG 23 OK 100 100 100 100 2.3-3.9 3.8=100 HG LEU 64 - HA ARG 27 far 0 74 0 - 5.8-6.4 HG3 ARG 23 - HA ARG 27 far 0 74 0 - 6.6-10.8 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 4.48 A increased from 3.98 A): 5 out of 16 assignments used, quality = 1.00: HD3 ARG 23 + HA ARG 23 OK 93 100 95 98 2.3-4.8 2.9/1264=78, 5.2=64...(14) * HD2 ARG 23 + HA ARG 23 OK 88 100 90 98 2.0-5.5 2.9/1264=78, 5.2=64...(15) HD3 ARG 27 + HA ARG 27 OK 73 74 100 99 2.0-4.6 5.4=58, 3.0/1439=40...(37) HD2 ARG 27 + HA ARG 27 OK 62 74 85 99 2.1-4.9 5.4=58, 3.0/1439=40...(37) HD2 ARG 26 + HA ARG 23 OK 25 98 60 43 3.3-6.5 6.1/5345=32, 3.5/5344=9, 1301=7 HD3 ARG 26 - HA ARG 23 poor 19 97 20 - 4.4-6.9 HD3 ARG 27 - HA ARG 23 far 10 100 10 - 4.5-9.3 HD2 ARG 27 - HA ARG 23 far 5 100 5 - 4.6-8.3 HD2 ARG 26 - HA ARG 27 far 4 70 5 - 4.7-7.9 HD3 ARG 26 - HA ARG 27 far 0 69 0 - 5.6-8.0 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 7.5-11.7 HD2 ARG 23 - HA ARG 27 far 0 74 0 - 7.7-12.6 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 8.7-13.6 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 8.7-14.1 HD2 ARG 17 - HA ARG 23 far 0 100 0 - 8.9-19.7 HD3 ARG 17 - HA ARG 23 far 0 100 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (3.17, 4.13, 58.01 ppm; 4.48 A increased from 3.98 A): 5 out of 16 assignments used, quality = 1.00: * HD3 ARG 23 + HA ARG 23 OK 93 100 95 98 2.3-4.8 2.9/1264=78, 5.2=64...(14) HD2 ARG 23 + HA ARG 23 OK 88 100 90 98 2.0-5.5 2.9/1264=78, 5.2=64...(15) HD3 ARG 27 + HA ARG 27 OK 73 74 100 99 2.0-4.6 5.4=58, 3.0/1439=40...(37) HD2 ARG 27 + HA ARG 27 OK 62 74 85 99 2.1-4.9 5.4=58, 3.0/1439=40...(37) HD2 ARG 26 + HA ARG 23 OK 25 98 60 43 3.3-6.5 6.1/5345=32, 3.5/5344=9, 1301=7 HD3 ARG 26 - HA ARG 23 poor 19 97 20 - 4.4-6.9 HD3 ARG 27 - HA ARG 23 far 10 100 10 - 4.5-9.3 HD2 ARG 27 - HA ARG 23 far 5 100 5 - 4.6-8.3 HD2 ARG 26 - HA ARG 27 far 4 70 5 - 4.7-7.9 HD3 ARG 26 - HA ARG 27 far 0 69 0 - 5.6-8.0 HD3 ARG 23 - HA ARG 27 far 0 74 0 - 7.5-11.7 HD2 ARG 23 - HA ARG 27 far 0 74 0 - 7.7-12.6 HD2 ARG 71 - HA ARG 27 far 0 45 0 - 8.7-13.6 HD2 ARG 71 - HA ARG 23 far 0 71 0 - 8.7-14.1 HD2 ARG 17 - HA ARG 23 far 0 100 0 - 8.9-19.7 HD3 ARG 17 - HA ARG 23 far 0 100 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (8.49, 1.85, 29.94 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.6 4.0=100 H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.6-3.6 4.0=100 H ARG 23 - HB2 ARG 27 far 0 83 0 - 6.7-9.0 H ARG 23 - HB3 ARG 27 far 0 82 0 - 8.2-10.3 H ARG 23 - HB3 ARG 71 far 0 78 0 - 8.4-12.3 H ARG 23 - HB2 ARG 71 far 0 79 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 1269 from cnoeabs.peaks (4.13, 1.85, 29.94 ppm; 3.10 A): 4 out of 13 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 27 + HB2 ARG 27 OK 76 76 100 100 2.8-3.0 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 100 100 2.4-2.9 3.0=100 HA ARG 23 - HB2 ARG 27 far 0 83 0 - 5.1-8.0 HA ARG 23 - HB3 ARG 27 far 0 82 0 - 6.7-9.3 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.8-9.0 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 7.6-9.9 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.7-8.0 HA ALA 30 - HB2 ARG 27 far 0 78 0 - 8.0-8.3 HA ASN 49 - HB2 ARG 66 far 0 53 0 - 8.2-9.3 HA ARG 23 - HB3 ARG 71 far 0 78 0 - 9.6-13.1 HA ARG 27 - HB2 ARG 71 far 0 72 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 7 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): 7 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; 2.82 A): 3 out of 27 assignments used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 95 100 100 95 2.5-3.0 3.0=88, 1264/3.0=32...(21) HG2 ARG 23 + HB3 ARG 23 OK 95 100 100 95 2.3-3.0 3.0=88, 1264/3.0=32...(21) HG3 ARG 66 + HB2 ARG 66 OK 35 35 100 100 2.4-2.7 2.8=100 HD3 LYS 75 - HB3 ARG 71 far 0 76 0 - 4.9-10.8 HB3 LEU 64 - HB3 ARG 27 far 0 47 0 - 4.9-6.0 HD2 LYS 75 - HB3 ARG 71 far 0 76 0 - 5.2-11.8 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 5.3-10.2 HG2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-9.9 HD2 LYS 75 - HB2 ARG 23 far 0 99 0 - 5.7-16.4 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 5.8-11.1 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 6.0-6.2 HB3 LEU 64 - HB2 ARG 27 far 0 47 0 - 6.2-7.4 HG LEU 29 - HB3 ARG 27 far 0 81 0 - 6.3-6.8 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 6.3-14.7 HD2 LYS 75 - HB3 ARG 23 far 0 99 0 - 7.0-15.6 HG2 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.3-11.0 HD3 LYS 75 - HB3 ARG 23 far 0 99 0 - 7.4-14.9 HG2 ARG 23 - HB3 ARG 71 far 0 78 0 - 8.1-12.7 HB3 LEU 64 - HB2 ARG 66 far 0 32 0 - 8.5-8.7 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 8.7-9.9 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.9-12.5 HD3 LYS 75 - HB2 ARG 27 far 0 81 0 - 9.3-16.9 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 9.3-10.5 HB3 LEU 64 - HB2 ARG 71 far 0 44 0 - 9.4-11.4 HD2 LYS 75 - HB2 ARG 27 far 0 81 0 - 9.7-18.3 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 9.7-10.9 HB3 GLN 61 - HB2 ARG 27 far 0 76 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.40 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 64 - HB3 ARG 27 poor 18 82 25 86 3.5-4.4 2.1/5028=37, 2.1/5022=32...(11) HG LEU 64 - HB2 ARG 27 far 0 83 0 - 4.3-6.0 HG3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.7-10.2 HG LEU 64 - HB2 ARG 71 far 0 78 0 - 7.0-9.5 HG3 ARG 23 - HB3 ARG 27 far 0 82 0 - 7.1-11.2 HG3 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.2-13.0 HG LEU 62 - HB2 ARG 66 far 0 35 0 - 7.8-8.9 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 7.9-9.4 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.9-12.3 HG LEU 64 - HB2 ARG 66 far 0 60 0 - 8.1-8.4 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1274 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.63 A increased from 3.23 A): 12 out of 42 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 * HD2 ARG 23 + HB2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.3-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 77 81 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 69 81 85 100 2.4-4.2 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 48 48 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 46 48 95 100 2.2-4.1 3.5=100 HD3 ARG 66 + HB2 ARG 66 OK 40 40 100 100 2.4-3.7 3.4=100 HD2 ARG 66 + HB2 ARG 66 OK 37 37 100 100 2.1-3.8 3.4=100 HD2 ARG 27 - HB3 ARG 23 far 5 100 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.3-9.1 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.3-9.0 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 5.5-9.4 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 77 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 6.9-11.7 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 7.6-9.8 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.63 A increased from 3.23 A): 12 out of 42 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 * HD3 ARG 23 + HB2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.3-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 77 81 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 69 81 85 100 2.4-4.2 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 48 48 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 46 48 95 100 2.2-4.1 3.5=100 HD3 ARG 66 + HB2 ARG 66 OK 40 40 100 100 2.4-3.7 3.4=100 HD2 ARG 66 + HB2 ARG 66 OK 37 37 100 100 2.1-3.8 3.4=100 HD2 ARG 27 - HB3 ARG 23 far 5 100 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.3-9.1 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 78 0 - 5.3-9.0 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 5.5-9.4 HD2 ARG 27 - HB3 ARG 71 far 0 77 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 77 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 77 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 6.9-11.7 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 51 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 78 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 7.6-9.8 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 82 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 82 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 35 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 50 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (8.49, 1.85, 29.94 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: H ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.2-3.6 4.0=100 * H ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.6-3.6 4.0=100 H ARG 23 - HB2 ARG 27 far 0 83 0 - 6.7-9.0 H ARG 23 - HB3 ARG 27 far 0 83 0 - 8.2-10.3 H ARG 23 - HB3 ARG 71 far 0 79 0 - 8.4-12.3 H ARG 23 - HB2 ARG 71 far 0 79 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 1277 from cnoeabs.peaks (4.13, 1.85, 29.94 ppm; 3.10 A): 4 out of 13 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 27 + HB2 ARG 27 OK 77 77 100 100 2.8-3.0 3.0=100 HA ARG 27 + HB3 ARG 27 OK 76 76 100 100 2.4-2.9 3.0=100 HA ARG 23 - HB2 ARG 27 far 0 83 0 - 5.1-8.0 HA ARG 23 - HB3 ARG 27 far 0 83 0 - 6.7-9.3 HA ARG 27 - HB3 ARG 23 far 0 97 0 - 6.8-9.0 HA ARG 27 - HB2 ARG 23 far 0 97 0 - 7.6-9.9 HA ALA 30 - HB3 ARG 27 far 0 78 0 - 7.7-8.0 HA ALA 30 - HB2 ARG 27 far 0 79 0 - 8.0-8.3 HA ASN 49 - HB2 ARG 66 far 0 56 0 - 8.2-9.3 HA ARG 23 - HB3 ARG 71 far 0 79 0 - 9.6-13.1 HA ARG 27 - HB2 ARG 71 far 0 73 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1278 from cnoeabs.peaks (1.85, 1.85, 29.94 ppm; diagonal): 7 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): 7 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; 2.82 A): 3 out of 27 assignments used, quality = 1.00: HG2 ARG 23 + HB2 ARG 23 OK 95 100 100 95 2.5-3.0 3.0=88, 1264/3.0=32...(21) * HG2 ARG 23 + HB3 ARG 23 OK 95 100 100 95 2.3-3.0 3.0=88, 1264/3.0=32...(21) HG3 ARG 66 + HB2 ARG 66 OK 37 37 100 100 2.4-2.7 2.8=100 HD3 LYS 75 - HB3 ARG 71 far 0 77 0 - 4.9-10.8 HB3 LEU 64 - HB3 ARG 27 far 0 47 0 - 4.9-6.0 HD2 LYS 75 - HB3 ARG 71 far 0 77 0 - 5.2-11.8 HD3 LYS 75 - HB2 ARG 71 far 0 77 0 - 5.3-10.2 HG2 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.6-9.9 HD2 LYS 75 - HB2 ARG 23 far 0 99 0 - 5.7-16.4 HD2 LYS 75 - HB2 ARG 71 far 0 77 0 - 5.8-11.1 HG LEU 29 - HB2 ARG 27 far 0 82 0 - 6.0-6.2 HB3 LEU 64 - HB2 ARG 27 far 0 48 0 - 6.2-7.4 HG LEU 29 - HB3 ARG 27 far 0 82 0 - 6.3-6.8 HD3 LYS 75 - HB2 ARG 23 far 0 99 0 - 6.3-14.7 HD2 LYS 75 - HB3 ARG 23 far 0 99 0 - 7.0-15.6 HG2 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.3-11.0 HD3 LYS 75 - HB3 ARG 23 far 0 99 0 - 7.4-14.9 HG2 ARG 23 - HB3 ARG 71 far 0 79 0 - 8.1-12.7 HB3 LEU 64 - HB2 ARG 66 far 0 34 0 - 8.5-8.7 HB3 GLN 61 - HB3 ARG 27 far 0 76 0 - 8.7-9.9 HG2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.9-12.5 HD3 LYS 75 - HB2 ARG 27 far 0 81 0 - 9.3-16.9 HG LEU 29 - HB3 ARG 23 far 0 100 0 - 9.3-10.5 HB3 LEU 64 - HB2 ARG 71 far 0 45 0 - 9.4-11.4 HD2 LYS 75 - HB2 ARG 27 far 0 81 0 - 9.7-18.3 HG LEU 29 - HB2 ARG 23 far 0 100 0 - 9.7-10.9 HB3 GLN 61 - HB2 ARG 27 far 0 77 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (1.54, 1.85, 29.94 ppm; 3.40 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 23 + HB2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 64 - HB3 ARG 27 poor 18 83 25 86 3.5-4.4 2.1/5028=38, 2.1/5022=32...(11) HG LEU 64 - HB2 ARG 27 far 0 83 0 - 4.3-6.0 HG3 ARG 23 - HB2 ARG 27 far 0 83 0 - 5.7-10.2 HG LEU 64 - HB2 ARG 71 far 0 79 0 - 7.0-9.5 HG3 ARG 23 - HB3 ARG 27 far 0 83 0 - 7.1-11.2 HG3 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.2-13.0 HG LEU 62 - HB2 ARG 66 far 0 37 0 - 7.8-8.9 HG LEU 64 - HB3 ARG 71 far 0 78 0 - 7.9-9.4 HG3 ARG 23 - HB2 ARG 71 far 0 79 0 - 7.9-12.3 HG LEU 64 - HB2 ARG 66 far 0 63 0 - 8.1-8.4 HG LEU 64 - HB3 ARG 23 far 0 100 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.63 A increased from 3.23 A): 12 out of 42 assignments used, quality = 1.00: HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 * HD2 ARG 23 + HB3 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.3-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 78 82 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 70 82 85 100 2.4-4.2 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 48 48 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 46 49 95 100 2.2-4.1 3.5=100 HD3 ARG 66 + HB2 ARG 66 OK 42 42 100 100 2.4-3.7 3.4=100 HD2 ARG 66 + HB2 ARG 66 OK 39 39 100 100 2.1-3.8 3.4=100 HD2 ARG 27 - HB3 ARG 23 far 5 100 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.3-9.1 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 79 0 - 5.3-9.0 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 5.5-9.4 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 78 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 6.9-11.7 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 7.6-9.8 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (3.17, 1.85, 29.94 ppm; 3.63 A increased from 3.23 A): 12 out of 42 assignments used, quality = 1.00: * HD3 ARG 23 + HB3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 78 82 95 100 2.3-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 78 82 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 70 82 85 100 2.4-4.2 3.5=100 HD2 ARG 71 + HB3 ARG 71 OK 48 48 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 46 49 95 100 2.2-4.1 3.5=100 HD3 ARG 66 + HB2 ARG 66 OK 42 42 100 100 2.4-3.7 3.4=100 HD2 ARG 66 + HB2 ARG 66 OK 39 39 100 100 2.1-3.8 3.4=100 HD2 ARG 27 - HB3 ARG 23 far 5 100 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 23 far 0 100 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.3-9.1 HD2 ARG 26 - HB3 ARG 23 far 0 98 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 100 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 79 0 - 5.3-9.0 HD2 ARG 26 - HB2 ARG 23 far 0 98 0 - 5.5-9.4 HD2 ARG 27 - HB3 ARG 71 far 0 78 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 78 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 78 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 97 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 78 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 78 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 78 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 97 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 71 0 - 6.9-11.7 HD2 ARG 71 - HB2 ARG 23 far 0 71 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 83 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 52 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 79 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 77 0 - 7.6-9.8 HD3 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 83 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 83 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 79 0 - 8.4-13.5 HD2 ARG 71 - HB2 ARG 66 far 0 37 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 51 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1285 from cnoeabs.peaks (4.13, 1.67, 27.31 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.1-3.6 1264=100, 3.0/1272=32...(9) HA ARG 27 - HG2 ARG 23 far 0 97 0 - 7.1-10.4 Violated in 0 structures by 0.00 A. Peak 1286 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 3.15 A increased from 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 27 - HG2 ARG 23 far 0 99 0 - 5.6-9.9 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 7.3-11.0 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 8.1-12.7 HB2 ARG 71 - HG2 ARG 23 far 0 99 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (1.85, 1.67, 27.31 ppm; 3.15 A increased from 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 ARG 27 - HG2 ARG 23 far 0 100 0 - 5.6-9.9 HB3 ARG 27 - HG2 ARG 23 far 0 99 0 - 7.3-11.0 HB3 ARG 71 - HG2 ARG 23 far 0 99 0 - 8.1-12.7 HB2 ARG 71 - HG2 ARG 23 far 0 100 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. 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; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (3.17, 1.67, 27.31 ppm; 3.31 A): 2 out of 7 assignments used, quality = 1.00: HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 * HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 26 - HG2 ARG 23 far 0 98 0 - 3.8-9.2 HD3 ARG 27 - HG2 ARG 23 far 0 100 0 - 4.8-10.7 HD3 ARG 26 - HG2 ARG 23 far 0 97 0 - 5.5-8.9 HD2 ARG 27 - HG2 ARG 23 far 0 100 0 - 5.7-9.9 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (3.17, 1.67, 27.31 ppm; 3.31 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 23 + HG2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 26 - HG2 ARG 23 far 0 98 0 - 3.8-9.2 HD3 ARG 27 - HG2 ARG 23 far 0 100 0 - 4.8-10.7 HD3 ARG 26 - HG2 ARG 23 far 0 97 0 - 5.5-8.9 HD2 ARG 27 - HG2 ARG 23 far 0 100 0 - 5.7-9.9 HD2 ARG 71 - HG2 ARG 23 far 0 71 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (4.13, 1.54, 27.31 ppm; 4.18 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.9 3.8=100 HA ARG 27 - HG LEU 64 far 0 81 0 - 5.8-6.4 HA ARG 27 - HG3 ARG 23 far 0 97 0 - 6.6-10.8 HA ASN 49 - HG LEU 62 far 0 38 0 - 7.9-8.9 HA ALA 30 - HG LEU 64 far 0 84 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1294 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 27 - HG LEU 64 far 0 85 0 - 3.5-4.4 HB2 ARG 27 - HG LEU 64 far 0 86 0 - 4.3-6.0 HB2 ARG 27 - HG3 ARG 23 far 0 99 0 - 5.7-10.2 HB2 ARG 71 - HG LEU 64 far 0 86 0 - 7.0-9.5 HB3 ARG 27 - HG3 ARG 23 far 0 99 0 - 7.1-11.2 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 7.2-13.0 HB2 ARG 66 - HG LEU 62 far 0 20 0 - 7.8-8.9 HB3 ARG 71 - HG LEU 64 far 0 85 0 - 7.9-9.4 HB2 ARG 71 - HG3 ARG 23 far 0 99 0 - 7.9-12.3 HB2 ARG 66 - HG LEU 64 far 0 47 0 - 8.1-8.4 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1295 from cnoeabs.peaks (1.85, 1.54, 27.31 ppm; 3.14 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 27 - HG LEU 64 far 0 86 0 - 3.5-4.4 HB2 ARG 27 - HG LEU 64 far 0 87 0 - 4.3-6.0 HB2 ARG 27 - HG3 ARG 23 far 0 100 0 - 5.7-10.2 HB2 ARG 71 - HG LEU 64 far 0 87 0 - 7.0-9.5 HB3 ARG 27 - HG3 ARG 23 far 0 99 0 - 7.1-11.2 HB3 ARG 71 - HG3 ARG 23 far 0 99 0 - 7.2-13.0 HB2 ARG 66 - HG LEU 62 far 0 22 0 - 7.8-8.9 HB3 ARG 71 - HG LEU 64 far 0 86 0 - 7.9-9.4 HB2 ARG 71 - HG3 ARG 23 far 0 100 0 - 7.9-12.3 HB2 ARG 66 - HG LEU 64 far 0 49 0 - 8.1-8.4 HB3 ARG 23 - HG LEU 64 far 0 88 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (1.67, 1.54, 27.31 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 82 - HG2 ARG 82 far 0 56 0 - 2.8-3.0 HB3 LEU 64 - HG LEU 64 far 0 51 0 - 2.9-3.0 HB3 GLN 61 - HG LEU 62 far 0 39 0 - 5.1-5.7 HG3 ARG 66 - HG LEU 62 far 0 25 0 - 5.5-7.3 HB3 GLN 61 - HG LEU 64 far 0 81 0 - 6.7-7.1 HD2 LYS 75 - HG3 ARG 23 far 0 99 0 - 7.1-18.4 HD3 LYS 75 - HG3 ARG 23 far 0 99 0 - 8.1-16.7 HG3 ARG 66 - HG LEU 64 far 0 56 0 - 8.3-9.0 HB3 LEU 64 - HG LEU 62 far 0 23 0 - 8.4-8.9 HG LEU 29 - HG3 ARG 23 far 0 100 0 - 9.0-12.1 HG LEU 29 - HG LEU 64 far 0 87 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 1297 from cnoeabs.peaks (1.54, 1.54, 27.31 ppm; diagonal): 4 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 17 assignments used, quality = 1.00: * HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG3 ARG 23 far 0 100 0 - 3.4-10.7 HD3 ARG 27 - HG LEU 64 far 0 87 0 - 4.1-7.5 HD2 ARG 27 - HG3 ARG 23 far 0 100 0 - 4.1-9.9 HD2 ARG 27 - HG LEU 64 far 0 87 0 - 4.2-7.1 HD2 ARG 26 - HG3 ARG 23 far 0 98 0 - 4.8-9.4 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 5.1-13.4 HD3 ARG 84 - HG2 ARG 82 far 0 71 0 - 5.5-13.5 HD3 ARG 26 - HG3 ARG 23 far 0 97 0 - 5.6-10.2 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 6.2-8.3 HD3 ARG 66 - HG LEU 62 far 0 28 0 - 6.5-8.0 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.8-11.2 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 8.3-13.0 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.8-10.4 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (3.17, 1.54, 27.31 ppm; 3.10 A): 3 out of 17 assignments used, quality = 1.00: HD2 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 ARG 23 + HG3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 ARG 82 + HG2 ARG 82 OK 69 69 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG3 ARG 23 far 0 100 0 - 3.4-10.7 HD3 ARG 27 - HG LEU 64 far 0 87 0 - 4.1-7.5 HD2 ARG 27 - HG3 ARG 23 far 0 100 0 - 4.1-9.9 HD2 ARG 27 - HG LEU 64 far 0 87 0 - 4.2-7.1 HD2 ARG 26 - HG3 ARG 23 far 0 98 0 - 4.8-9.4 HD2 ARG 84 - HG2 ARG 82 far 0 68 0 - 5.1-13.4 HD3 ARG 84 - HG2 ARG 82 far 0 71 0 - 5.5-13.5 HD3 ARG 26 - HG3 ARG 23 far 0 97 0 - 5.6-10.2 HD2 ARG 66 - HG LEU 62 far 0 26 0 - 6.2-8.3 HD3 ARG 66 - HG LEU 62 far 0 28 0 - 6.5-8.0 HD2 ARG 71 - HG LEU 64 far 0 56 0 - 7.8-11.2 HD2 ARG 71 - HG3 ARG 23 far 0 71 0 - 8.3-13.0 HD3 ARG 66 - HG LEU 64 far 0 63 0 - 8.8-10.4 HD2 ARG 66 - HG LEU 64 far 0 58 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 1301 from cnoeabs.peaks (4.13, 3.17, 43.10 ppm; 4.29 A): 5 out of 26 assignments used, quality = 1.00: HA ARG 27 + HD3 ARG 27 OK 90 96 95 99 2.0-4.6 5.4=51, 1439/3.0=36...(37) * HA ARG 23 + HD2 ARG 23 OK 78 100 80 97 2.0-5.5 1264/2.9=74, 5.2=56...(15) HA ARG 27 + HD2 ARG 27 OK 76 96 80 99 2.1-4.9 5.4=51, 1439/3.0=36...(37) HA ARG 23 + HD3 ARG 23 OK 68 100 70 97 2.3-4.8 1264/2.9=74, 5.2=56...(14) HA ARG 23 + HD2 ARG 26 OK 23 98 60 40 3.3-6.5 5345/6.1=29, 5344/3.5=8, 1266=6 HA ARG 23 - HD3 ARG 27 far 10 100 10 - 4.5-9.3 HA ARG 23 - HD3 ARG 26 far 10 97 10 - 4.4-6.9 HA ARG 23 - HD2 ARG 27 far 5 100 5 - 4.6-8.3 HA ARG 27 - HD2 ARG 26 far 0 93 0 - 4.7-7.9 HA ASN 49 - HD3 ARG 66 far 0 37 0 - 5.2-8.7 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.5-8.8 HA ARG 27 - HD3 ARG 26 far 0 92 0 - 5.6-8.0 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 5.9-9.4 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.7-9.6 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.9-10.2 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 7.3-10.5 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 7.5-11.7 HA ARG 27 - HD2 ARG 23 far 0 97 0 - 7.7-12.6 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 8.0-22.3 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 8.5-21.5 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 8.7-13.6 HA ARG 23 - HD2 ARG 71 far 0 71 0 - 8.7-14.1 HB THR 88 - HD3 ARG 84 far 0 88 0 - 8.7-18.0 HA ARG 23 - HD2 ARG 17 far 0 100 0 - 8.9-19.7 HB THR 88 - HD2 ARG 84 far 0 84 0 - 9.3-18.7 HA ARG 23 - HD3 ARG 17 far 0 100 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1302 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.60 A increased from 2.88 A): 12 out of 52 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 * HB2 ARG 23 + HD2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 94 99 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.0-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 93 98 95 100 2.2-4.1 3.6=100 HB3 ARG 23 + HD2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 84 99 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 84 98 85 100 2.0-4.2 3.6=100 HB3 ARG 71 + HD2 ARG 71 OK 68 68 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 65 69 95 100 2.2-4.1 3.5=100 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 5.7-20.2 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 9.5-11.8 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.60 A increased from 2.88 A): 13 out of 53 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 94 99 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.0-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 93 98 95 100 2.2-4.1 3.6=100 * HB3 ARG 23 + HD2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 84 99 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 83 98 85 100 2.0-4.2 3.6=100 HB3 ARG 71 + HD2 ARG 71 OK 69 69 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 66 70 95 100 2.2-4.1 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 20 20 100 100 2.4-3.7 3.4=100 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 5.7-20.2 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 9.5-11.8 HB2 LYS 73 - HD2 ARG 66 far 0 22 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 3.14 A increased from 2.95 A): 5 out of 45 assignments used, quality = 1.00: HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 82 + HD2 ARG 82 OK 34 55 75 81 2.4-3.9 3.6=63, ~5479=27...(5) HG3 ARG 66 + HD3 ARG 66 OK 24 24 100 100 2.2-3.0 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 22 22 100 100 2.4-3.0 3.0=100 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 3.7-6.8 HG2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.8-9.2 HB2 ARG 82 - HD2 ARG 84 far 0 57 0 - 4.0-11.5 HG LEU 29 - HD2 ARG 26 far 0 98 0 - 4.0-7.3 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 4.1-10.7 HB2 ARG 82 - HD3 ARG 84 far 0 60 0 - 4.2-11.1 HB3 LEU 64 - HD2 ARG 27 far 0 65 0 - 4.5-7.9 HB3 LEU 64 - HD3 ARG 27 far 0 65 0 - 4.8-8.3 HG2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-10.7 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 5.0-11.2 HG2 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.5-8.9 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-9.9 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 6.1-8.8 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 6.1-9.2 HD2 LYS 75 - HD3 ARG 23 far 0 99 0 - 6.4-17.8 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 6.9-18.2 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 7.1-18.2 HD3 LYS 75 - HD3 ARG 23 far 0 99 0 - 7.2-17.2 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 7.2-18.3 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 7.5-17.3 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 7.6-17.8 HD2 LYS 75 - HD2 ARG 23 far 0 99 0 - 7.8-17.6 HD3 LYS 75 - HD2 ARG 27 far 0 99 0 - 8.2-19.1 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 8.2-10.7 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.5-17.7 HD2 LYS 75 - HD2 ARG 27 far 0 99 0 - 8.5-19.9 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.6-17.9 HD3 LYS 75 - HD2 ARG 23 far 0 99 0 - 8.8-17.3 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 8.9-13.3 HD3 LYS 75 - HD3 ARG 27 far 0 99 0 - 8.9-18.6 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 9.1-14.1 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 9.3-11.4 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 9.4-12.7 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 9.4-16.8 HD2 LYS 75 - HD3 ARG 27 far 0 99 0 - 9.6-18.2 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 9.7-12.4 HB3 GLN 61 - HD3 ARG 17 far 0 96 0 - 9.8-26.1 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 3.10 A increased from 2.92 A): 3 out of 21 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 82 + HD2 ARG 82 OK 76 76 100 100 2.3-3.0 3.0=100 HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.4-10.7 HG LEU 64 - HD3 ARG 27 far 0 100 0 - 4.1-7.5 HG3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.9 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.2-7.1 HG3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.8-9.4 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 5.1-13.4 HB3 LEU 86 - HD2 ARG 84 far 0 62 0 - 5.1-12.0 HG2 ARG 82 - HD3 ARG 84 far 0 81 0 - 5.5-13.5 HG3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.6-10.2 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 5.7-11.6 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 6.2-8.3 HG LEU 62 - HD3 ARG 66 far 0 24 0 - 6.5-8.0 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.8-11.2 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 8.3-13.0 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.8-10.4 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 8.8-10.3 HB3 LEU 86 - HD2 ARG 82 far 0 60 0 - 9.1-18.5 HG2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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): 5 out of 26 assignments used, quality = 1.00: HA ARG 27 + HD3 ARG 27 OK 90 96 95 99 2.0-4.6 5.4=51, 1439/3.0=36...(37) HA ARG 23 + HD2 ARG 23 OK 78 100 80 97 2.0-5.5 1264/2.9=74, 5.2=56...(15) HA ARG 27 + HD2 ARG 27 OK 76 96 80 99 2.1-4.9 5.4=51, 1439/3.0=36...(37) * HA ARG 23 + HD3 ARG 23 OK 68 100 70 97 2.3-4.8 1264/2.9=74, 5.2=56...(14) HA ARG 23 + HD2 ARG 26 OK 23 98 60 40 3.3-6.5 5345/6.1=29, 5344/3.5=8, 1266=6 HA ARG 23 - HD3 ARG 27 far 10 100 10 - 4.5-9.3 HA ARG 23 - HD3 ARG 26 far 10 97 10 - 4.4-6.9 HA ARG 23 - HD2 ARG 27 far 5 100 5 - 4.6-8.3 HA ARG 27 - HD2 ARG 26 far 0 93 0 - 4.7-7.9 HA ASN 49 - HD3 ARG 66 far 0 37 0 - 5.2-8.7 HA ASN 49 - HD2 ARG 66 far 0 34 0 - 5.5-8.8 HA ARG 27 - HD3 ARG 26 far 0 92 0 - 5.6-8.0 HA ALA 30 - HD3 ARG 26 far 0 94 0 - 5.9-9.4 HA ALA 30 - HD2 ARG 26 far 0 95 0 - 6.7-9.6 HA ALA 30 - HD3 ARG 27 far 0 98 0 - 6.9-10.2 HA ALA 30 - HD2 ARG 27 far 0 98 0 - 7.3-10.5 HA ARG 27 - HD3 ARG 23 far 0 97 0 - 7.5-11.7 HA ARG 27 - HD2 ARG 23 far 0 97 0 - 7.7-12.6 HA ALA 30 - HD3 ARG 17 far 0 97 0 - 8.0-22.3 HA ALA 30 - HD2 ARG 17 far 0 97 0 - 8.5-21.5 HA ARG 27 - HD2 ARG 71 far 0 65 0 - 8.7-13.6 HA ARG 23 - HD2 ARG 71 far 0 71 0 - 8.7-14.1 HB THR 88 - HD3 ARG 84 far 0 88 0 - 8.7-18.0 HA ARG 23 - HD2 ARG 17 far 0 100 0 - 8.9-19.7 HB THR 88 - HD2 ARG 84 far 0 84 0 - 9.3-18.7 HA ARG 23 - HD3 ARG 17 far 0 100 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1310 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.60 A increased from 2.88 A): 12 out of 52 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 94 99 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.0-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 93 98 95 100 2.2-4.1 3.6=100 HB3 ARG 23 + HD2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 * HB2 ARG 23 + HD3 ARG 23 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 84 99 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 84 98 85 100 2.0-4.2 3.6=100 HB3 ARG 71 + HD2 ARG 71 OK 68 68 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 65 69 95 100 2.2-4.1 3.5=100 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 64 0 - 5.7-20.2 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 69 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 96 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 99 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 45 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 64 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 99 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 68 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 95 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 99 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 99 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 35 0 - 9.5-11.8 HB2 LYS 73 - HD2 ARG 66 far 0 23 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 37 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.60 A increased from 2.88 A): 13 out of 53 assignments used, quality = 1.00: * HB3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 95 100 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 94 99 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 94 99 95 100 2.0-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 93 98 95 100 2.2-4.1 3.6=100 HB3 ARG 23 + HD2 ARG 23 OK 90 100 90 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 84 99 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 83 98 85 100 2.0-4.2 3.6=100 HB3 ARG 71 + HD2 ARG 71 OK 69 69 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 66 70 95 100 2.2-4.1 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 20 20 100 100 2.4-3.7 3.4=100 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.3-9.1 HB3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 70 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.3-9.0 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 67 0 - 5.7-20.2 HB3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 96 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 70 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 97 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 97 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB2 LYS 73 - HD2 ARG 71 far 0 43 0 - 6.8-9.8 HB3 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-11.7 HB3 PRO 34 - HD3 ARG 17 far 0 67 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 71 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 95 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 69 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 99 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 99 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 96 0 - 7.6-9.8 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 99 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 99 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 96 0 - 8.4-18.6 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 LYS 75 - HD3 ARG 23 far 0 100 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 37 0 - 9.5-11.8 HB2 LYS 73 - HD2 ARG 66 far 0 22 0 - 9.5-13.6 HB2 ARG 71 - HD2 ARG 66 far 0 38 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (1.67, 3.17, 43.10 ppm; 3.14 A increased from 2.95 A): 5 out of 45 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 82 + HD2 ARG 82 OK 34 55 75 81 2.4-3.9 3.6=63, ~5479=27...(5) HG3 ARG 66 + HD3 ARG 66 OK 24 24 100 100 2.2-3.0 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 22 22 100 100 2.4-3.0 3.0=100 HG LEU 29 - HD3 ARG 26 far 0 97 0 - 3.7-6.8 HG2 ARG 23 - HD2 ARG 26 far 0 98 0 - 3.8-9.2 HB2 ARG 82 - HD2 ARG 84 far 0 57 0 - 4.0-11.5 HG LEU 29 - HD2 ARG 26 far 0 98 0 - 4.0-7.3 HD3 LYS 75 - HD2 ARG 71 far 0 69 0 - 4.1-10.7 HB2 ARG 82 - HD3 ARG 84 far 0 60 0 - 4.2-11.1 HB3 LEU 64 - HD2 ARG 27 far 0 65 0 - 4.5-7.9 HB3 LEU 64 - HD3 ARG 27 far 0 65 0 - 4.8-8.3 HG2 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.8-10.7 HD2 LYS 75 - HD2 ARG 71 far 0 69 0 - 5.0-11.2 HG2 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.5-8.9 HG2 ARG 23 - HD2 ARG 27 far 0 100 0 - 5.7-9.9 HG LEU 29 - HD2 ARG 27 far 0 100 0 - 6.1-8.8 HG LEU 29 - HD3 ARG 27 far 0 100 0 - 6.1-9.2 HD2 LYS 75 - HD3 ARG 23 far 0 99 0 - 6.4-17.8 HG LEU 29 - HD3 ARG 17 far 0 99 0 - 6.9-18.2 HD3 LYS 13 - HD3 ARG 17 far 0 99 0 - 7.1-18.2 HD3 LYS 75 - HD3 ARG 23 far 0 99 0 - 7.2-17.2 HD2 LYS 13 - HD3 ARG 17 far 0 99 0 - 7.2-18.3 HG LEU 29 - HD2 ARG 17 far 0 99 0 - 7.5-17.3 HB3 LYS 13 - HD3 ARG 17 far 0 96 0 - 7.6-17.8 HD2 LYS 75 - HD2 ARG 23 far 0 99 0 - 7.8-17.6 HD3 LYS 75 - HD2 ARG 27 far 0 99 0 - 8.2-19.1 HB3 LEU 64 - HD3 ARG 66 far 0 22 0 - 8.2-10.7 HD3 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.5-17.7 HD2 LYS 75 - HD2 ARG 27 far 0 99 0 - 8.5-19.9 HD2 LYS 13 - HD2 ARG 17 far 0 99 0 - 8.6-17.9 HD3 LYS 75 - HD2 ARG 23 far 0 99 0 - 8.8-17.3 HG LEU 29 - HD2 ARG 23 far 0 100 0 - 8.9-13.3 HD3 LYS 75 - HD3 ARG 27 far 0 99 0 - 8.9-18.6 HG2 ARG 23 - HD2 ARG 71 far 0 71 0 - 9.1-14.1 HB3 GLN 61 - HD2 ARG 66 far 0 35 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 96 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 37 0 - 9.3-11.4 HG LEU 29 - HD3 ARG 23 far 0 100 0 - 9.4-12.7 HB3 LYS 13 - HD2 ARG 17 far 0 96 0 - 9.4-16.8 HD2 LYS 75 - HD3 ARG 27 far 0 99 0 - 9.6-18.2 HB3 GLN 61 - HD2 ARG 27 far 0 96 0 - 9.7-12.4 HB3 GLN 61 - HD3 ARG 17 far 0 96 0 - 9.8-26.1 HB3 LEU 64 - HD2 ARG 71 far 0 39 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1313 from cnoeabs.peaks (1.54, 3.17, 43.10 ppm; 3.10 A increased from 2.92 A): 3 out of 21 assignments used, quality = 1.00: HG3 ARG 23 + HD2 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 ARG 23 + HD3 ARG 23 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 82 + HD2 ARG 82 OK 76 76 100 100 2.3-3.0 3.0=100 HG3 ARG 23 - HD3 ARG 27 far 5 100 5 - 3.4-10.7 HG LEU 64 - HD3 ARG 27 far 0 100 0 - 4.1-7.5 HG3 ARG 23 - HD2 ARG 27 far 0 100 0 - 4.1-9.9 HG LEU 64 - HD2 ARG 27 far 0 100 0 - 4.2-7.1 HG3 ARG 23 - HD2 ARG 26 far 0 98 0 - 4.8-9.4 HG2 ARG 82 - HD2 ARG 84 far 0 78 0 - 5.1-13.4 HB3 LEU 86 - HD2 ARG 84 far 0 62 0 - 5.1-12.0 HG2 ARG 82 - HD3 ARG 84 far 0 81 0 - 5.5-13.5 HG3 ARG 23 - HD3 ARG 26 far 0 97 0 - 5.6-10.2 HB3 LEU 86 - HD3 ARG 84 far 0 65 0 - 5.7-11.6 HG LEU 62 - HD2 ARG 66 far 0 22 0 - 6.2-8.3 HG LEU 62 - HD3 ARG 66 far 0 24 0 - 6.5-8.0 HG LEU 64 - HD2 ARG 71 far 0 71 0 - 7.8-11.2 HG3 ARG 23 - HD2 ARG 71 far 0 71 0 - 8.3-13.0 HG LEU 64 - HD3 ARG 66 far 0 42 0 - 8.8-10.4 HG LEU 64 - HD2 ARG 66 far 0 38 0 - 8.8-10.3 HB3 LEU 86 - HD2 ARG 82 far 0 60 0 - 9.1-18.5 HG2 LYS 39 - HD2 ARG 17 far 0 98 0 - 9.9-25.1 Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 24 + HA ASP 24 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1319 from cnoeabs.peaks (2.59, 4.49, 56.18 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 24 + HA ASP 24 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1320 from cnoeabs.peaks (8.34, 2.56, 40.55 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 24 + HB2 ASP 24 OK 100 100 100 100 3.5-3.6 4.0=100 H GLU 19 - HB2 ASP 24 far 0 93 0 - 8.4-16.2 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (4.49, 2.56, 40.55 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 24 + HB2 ASP 24 OK 100 100 100 100 2.4-2.6 3.0=100 HA ASP 67 - HB2 ASP 24 far 0 97 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 ASP 24 + HB2 ASP 24 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (8.34, 2.59, 40.55 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 24 + HB3 ASP 24 OK 100 100 100 100 2.3-2.5 4.0=100 H GLU 19 - HB3 ASP 24 far 0 93 0 - 8.6-15.3 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (4.49, 2.59, 40.55 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 24 + HB3 ASP 24 OK 100 100 100 100 2.5-3.0 3.0=100 HA ASP 46 - HB3 ASP 47 far 0 58 0 - 5.7-6.3 HA ASP 67 - HB3 ASP 24 far 0 97 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (2.56, 2.59, 40.55 ppm; 2.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 24 + HB3 ASP 24 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 46 - HB3 ASP 47 far 0 57 0 - 4.1-5.7 Violated in 0 structures by 0.00 A. 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): 5 out of 16 assignments used, quality = 1.00: * H GLU 25 + HA GLU 25 OK 100 100 100 100 2.8-2.8 2.9=100 H ALA 28 + HA GLU 25 OK 87 96 100 91 3.4-3.6 2.9/4181=52, 5347=45...(12) H ARG 27 + HA ARG 26 OK 51 53 100 96 3.5-3.5 3.6=87, 5380/3.0=45...(6) H ALA 28 + HA ARG 27 OK 48 50 100 97 3.5-3.5 3.6=87, 70/3.0=31...(12) H ARG 27 + HA ARG 27 OK 36 36 100 100 2.8-2.8 3.0=100 H ALA 28 - HA ARG 26 far 0 71 0 - 3.8-4.1 H ARG 27 - HA GLU 25 far 0 76 0 - 3.9-4.2 H SER 22 - HA GLU 25 far 0 97 0 - 4.5-5.5 H SER 22 - HA ARG 26 far 0 74 0 - 5.0-7.5 H GLU 25 - HA ARG 26 far 0 79 0 - 5.3-5.5 H GLU 25 - HA ARG 27 far 0 56 0 - 6.6-7.1 H THR 15 - HA ARG 26 far 0 78 0 - 7.3-25.7 H ALA 77 - HA ARG 71 far 0 61 0 - 7.5-9.4 H SER 22 - HA ARG 27 far 0 51 0 - 8.3-10.3 H THR 15 - HA GLU 25 far 0 100 0 - 8.8-23.4 H THR 15 - HA ARG 27 far 0 55 0 - 9.4-26.8 Violated in 0 structures by 0.00 A. Peak 1329 from cnoeabs.peaks (4.09, 4.09, 58.48 ppm; diagonal): 4 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 14 assignments used, quality = 1.00: HB3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.3-2.7 3.0=100 * HB2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 25 - HA ARG 26 far 0 79 0 - 3.8-5.0 HB2 GLU 25 - HA ARG 26 far 0 79 0 - 4.6-5.5 HB3 GLU 19 - HA ARG 26 far 0 67 0 - 4.8-15.6 HB3 GLU 19 - HA GLU 25 far 0 92 0 - 5.5-13.4 HB3 MET 31 - HA ARG 27 far 0 44 0 - 6.4-7.1 HD3 ARG 69 - HA ARG 71 far 0 65 0 - 6.9-10.3 HD2 ARG 69 - HA ARG 71 far 0 65 0 - 7.3-10.6 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.3-8.1 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.4-8.3 HB VAL 76 - HA ARG 71 far 0 89 0 - 9.0-10.5 HB3 GLU 19 - HA ARG 27 far 0 46 0 - 9.5-19.4 HB3 MET 31 - HA ARG 26 far 0 64 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (2.05, 4.09, 58.48 ppm; 3.04 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 25 - HA ARG 26 far 0 79 0 - 3.8-5.0 HB2 GLU 25 - HA ARG 26 far 0 79 0 - 4.6-5.5 HB3 GLU 19 - HA ARG 26 far 0 66 0 - 4.8-15.6 HB3 GLU 19 - HA GLU 25 far 0 90 0 - 5.5-13.4 HB3 MET 31 - HA ARG 27 far 0 45 0 - 6.4-7.1 HD3 ARG 69 - HA ARG 71 far 0 63 0 - 6.9-10.3 HD2 ARG 69 - HA ARG 71 far 0 63 0 - 7.3-10.6 HB3 GLU 25 - HA ARG 27 far 0 56 0 - 7.3-8.1 HB2 GLU 25 - HA ARG 27 far 0 56 0 - 7.4-8.3 HB VAL 76 - HA ARG 71 far 0 88 0 - 9.0-10.5 HB3 GLU 19 - HA ARG 27 far 0 45 0 - 9.5-19.4 HB3 MET 31 - HA ARG 26 far 0 66 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (2.26, 4.09, 58.48 ppm; 3.83 A increased from 3.60 A): 1 out of 11 assignments used, quality = 1.00: * HG2 GLU 25 + HA GLU 25 OK 100 100 100 100 2.2-3.7 1347=85, 1.8/1333=74...(15) HG2 GLU 25 - HA ARG 26 far 8 79 10 - 3.5-6.6 HG3 GLU 19 - HA GLU 25 far 0 63 0 - 4.9-15.3 HG3 GLU 19 - HA ARG 26 far 0 43 0 - 5.4-17.3 HG2 GLU 19 - HA ARG 26 far 0 43 0 - 5.4-16.2 HB2 PRO 14 - HA ARG 26 far 0 64 0 - 6.3-25.7 HG2 GLU 19 - HA GLU 25 far 0 63 0 - 6.4-14.6 HG2 GLU 25 - HA ARG 27 far 0 56 0 - 7.2-9.5 HB2 PRO 14 - HA ARG 27 far 0 44 0 - 8.6-26.4 HG2 GLU 19 - HA ARG 27 far 0 28 0 - 9.7-20.3 HG3 GLU 19 - HA ARG 27 far 0 28 0 - 9.9-21.2 Violated in 0 structures by 0.00 A. Peak 1333 from cnoeabs.peaks (2.30, 4.09, 58.48 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 25 + HA GLU 25 OK 100 100 100 100 2.1-3.7 1353=99, 1.8/1332=75...(19) HG3 GLU 25 - HA ARG 26 far 8 79 10 - 3.2-6.6 HB2 PRO 14 - HA ARG 26 far 0 47 0 - 6.3-25.7 HG3 GLU 25 - HA ARG 27 far 0 56 0 - 7.4-9.5 HB2 PRO 14 - HA ARG 27 far 0 31 0 - 8.6-26.4 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 4 out of 9 assignments used, quality = 1.00: * H GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.1-2.3 521=100, 523/3.0=45...(13) H GLU 25 + HB3 GLU 25 OK 99 100 100 99 3.5-3.5 521/1.8=79, 4.0=65...(12) H SER 22 + HB2 GLU 25 OK 84 97 100 87 1.9-2.8 2.9/4153=36, 3.9/4154=24...(10) H SER 22 + HB3 GLU 25 OK 59 97 80 76 3.0-4.0 ~4153=25, 4152/1.8=20...(9) H ARG 27 - HB2 GLU 25 far 0 76 0 - 4.6-5.7 H ARG 27 - HB3 GLU 25 far 0 76 0 - 4.8-5.7 H ALA 28 - HB3 GLU 25 far 0 96 0 - 4.9-5.1 H ALA 28 - HB2 GLU 25 far 0 96 0 - 5.5-5.8 H THR 15 - HB3 GLU 25 far 0 100 0 - 8.6-22.2 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.16 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.3-2.7 3.0=100 * HA GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.6-3.0 3.0=100 HA ARG 26 - HB3 GLU 25 far 0 83 0 - 3.8-5.0 HA ARG 26 - HB2 GLU 25 far 0 83 0 - 4.6-5.5 HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.3-8.1 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 5 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): 5 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 7 assignments used, quality = 1.00: * HG2 GLU 25 + HB2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=88, 1332/3.0=32...(17) HG2 GLU 25 + HB3 GLU 25 OK 98 100 100 98 2.4-3.0 3.0=88, 1332/3.0=32...(17) HG3 GLU 19 - HB3 GLU 25 far 3 63 5 - 3.0-13.8 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.3-13.0 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 4.3-14.1 HG2 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.7-13.4 HB2 PRO 14 - HB3 GLU 25 far 0 89 0 - 9.4-23.4 Violated in 0 structures by 0.00 A. Peak 1339 from cnoeabs.peaks (2.30, 2.05, 29.32 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 14 - HB3 GLU 25 far 0 68 0 - 9.4-23.4 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (8.20, 2.05, 29.32 ppm; 3.45 A): 4 out of 9 assignments used, quality = 1.00: H GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.1-2.3 522=100, 523/3.0=45...(13) * H GLU 25 + HB3 GLU 25 OK 99 100 100 99 3.5-3.5 521/1.8=79, 4.0=65...(12) H SER 22 + HB2 GLU 25 OK 84 97 100 87 1.9-2.8 2.9/4153=36, 3.9/4154=24...(10) H SER 22 + HB3 GLU 25 OK 59 97 80 76 3.0-4.0 ~4153=25, 4152/1.8=20...(9) H ARG 27 - HB2 GLU 25 far 0 76 0 - 4.6-5.7 H ARG 27 - HB3 GLU 25 far 0 76 0 - 4.8-5.7 H ALA 28 - HB3 GLU 25 far 0 96 0 - 4.9-5.1 H ALA 28 - HB2 GLU 25 far 0 96 0 - 5.5-5.8 H THR 15 - HB3 GLU 25 far 0 100 0 - 8.6-22.2 Violated in 0 structures by 0.00 A. Peak 1341 from cnoeabs.peaks (4.09, 2.05, 29.32 ppm; 3.16 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.3-2.7 3.0=100 HA GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.6-3.0 3.0=100 HA ARG 26 - HB3 GLU 25 far 0 83 0 - 3.8-5.0 HA ARG 26 - HB2 GLU 25 far 0 83 0 - 4.6-5.5 HA ARG 27 - HB3 GLU 25 far 0 65 0 - 7.3-8.1 HA ARG 27 - HB2 GLU 25 far 0 65 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (2.05, 2.05, 29.32 ppm; diagonal): 5 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): 5 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 7 assignments used, quality = 1.00: HG2 GLU 25 + HB2 GLU 25 OK 98 100 100 98 2.2-3.0 3.0=88, 1332/3.0=32...(17) * HG2 GLU 25 + HB3 GLU 25 OK 98 100 100 98 2.4-3.0 3.0=88, 1332/3.0=32...(17) HG3 GLU 19 - HB3 GLU 25 far 3 63 5 - 3.0-13.8 HG2 GLU 19 - HB3 GLU 25 far 0 63 0 - 4.3-13.0 HG3 GLU 19 - HB2 GLU 25 far 0 63 0 - 4.3-14.1 HG2 GLU 19 - HB2 GLU 25 far 0 63 0 - 5.7-13.4 HB2 PRO 14 - HB3 GLU 25 far 0 89 0 - 9.4-23.4 Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (2.30, 2.05, 29.32 ppm; 3.19 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 25 + HB3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 25 + HB2 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 14 - HB3 GLU 25 far 0 68 0 - 9.4-23.4 Violated in 0 structures by 0.00 A. Peak 1346 from cnoeabs.peaks (8.20, 2.26, 36.07 ppm; 4.37 A): 2 out of 14 assignments used, quality = 1.00: * H GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.7-4.0 523=100, 524/1.8=84...(12) H SER 22 + HG2 GLU 25 OK 91 97 100 93 2.0-4.6 3.9/5498=40, 1352/1.8=33...(9) H ARG 27 - HG2 GLU 25 far 0 76 0 - 4.7-6.8 H SER 22 - HG3 GLU 19 far 0 57 0 - 5.0-12.5 H ALA 28 - HG2 GLU 25 far 0 96 0 - 5.4-7.0 H SER 22 - HG2 GLU 19 far 0 57 0 - 5.6-11.8 H GLU 25 - HG3 GLU 19 far 0 62 0 - 6.2-15.7 H ALA 28 - HG2 GLU 19 far 0 55 0 - 7.4-17.6 H ALA 28 - HG3 GLU 19 far 0 55 0 - 7.4-18.4 H GLU 25 - HG2 GLU 19 far 0 62 0 - 7.7-15.1 H ARG 27 - HG3 GLU 19 far 0 40 0 - 7.8-18.6 H THR 15 - HG2 GLU 25 far 0 100 0 - 7.8-24.1 H ARG 27 - HG2 GLU 19 far 0 40 0 - 8.1-17.8 H THR 15 - HG2 GLU 19 far 0 61 0 - 9.7-17.5 Violated in 0 structures by 0.00 A. Peak 1347 from cnoeabs.peaks (4.09, 2.26, 36.07 ppm; 4.04 A): 1 out of 9 assignments used, quality = 1.00: * HA GLU 25 + HG2 GLU 25 OK 100 100 100 100 2.2-3.7 1332=100, 1333/1.8=81...(15) HA ARG 26 - HG2 GLU 25 far 8 83 10 - 3.5-6.6 HA GLU 25 - HG3 GLU 19 far 0 62 0 - 4.9-15.3 HA ARG 26 - HG3 GLU 19 far 0 45 0 - 5.4-17.3 HA ARG 26 - HG2 GLU 19 far 0 45 0 - 5.4-16.2 HA GLU 25 - HG2 GLU 19 far 0 62 0 - 6.4-14.6 HA ARG 27 - HG2 GLU 25 far 0 65 0 - 7.2-9.5 HA ARG 27 - HG2 GLU 19 far 0 33 0 - 9.7-20.3 HA ARG 27 - HG3 GLU 19 far 0 33 0 - 9.9-21.2 Violated in 0 structures by 0.00 A. Peak 1348 from cnoeabs.peaks (2.05, 2.26, 36.07 ppm; 2.71 A): 4 out of 11 assignments used, quality = 1.00: * HB2 GLU 25 + HG2 GLU 25 OK 96 100 100 96 2.2-3.0 3.0=74, 1.8/1344=30...(15) HB3 GLU 25 + HG2 GLU 25 OK 95 100 100 95 2.4-3.0 3.0=74, 1.8/1338=30...(15) HB3 GLU 19 + HG3 GLU 19 OK 43 52 100 83 2.3-3.0 3.0=73, 1222/1.8=20...(8) HB3 GLU 19 + HG2 GLU 19 OK 42 52 100 81 2.3-3.0 3.0=73, 1222/1.8=13...(8) HB3 GLU 25 - HG3 GLU 19 far 0 62 0 - 3.0-13.8 HB3 GLU 19 - HG2 GLU 25 far 0 92 0 - 3.6-11.2 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 5.7-13.4 HB VAL 76 - HG2 GLU 19 far 0 58 0 - 9.4-29.3 HB VAL 76 - HG3 GLU 19 far 0 58 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (2.05, 2.26, 36.07 ppm; 2.71 A): 4 out of 11 assignments used, quality = 1.00: HB2 GLU 25 + HG2 GLU 25 OK 96 100 100 96 2.2-3.0 3.0=74, 1.8/1344=30...(15) * HB3 GLU 25 + HG2 GLU 25 OK 95 100 100 95 2.4-3.0 3.0=74, 1.8/1338=30...(15) HB3 GLU 19 + HG3 GLU 19 OK 42 50 100 83 2.3-3.0 3.0=73, 1222/1.8=19...(8) HB3 GLU 19 + HG2 GLU 19 OK 41 50 100 81 2.3-3.0 3.0=73, 1222/1.8=13...(8) HB3 GLU 25 - HG3 GLU 19 far 0 62 0 - 3.0-13.8 HB3 GLU 19 - HG2 GLU 25 far 0 90 0 - 3.6-11.2 HB3 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 62 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 62 0 - 5.7-13.4 HB VAL 76 - HG2 GLU 19 far 0 57 0 - 9.4-29.3 HB VAL 76 - HG3 GLU 19 far 0 57 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 1350 from cnoeabs.peaks (2.26, 2.26, 36.07 ppm; diagonal): 3 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 5 assignments used, quality = 1.00: * HG3 GLU 25 + HG2 GLU 25 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 25 - HG3 GLU 19 far 0 62 0 - 2.9-12.9 HG3 GLU 25 - HG2 GLU 19 far 0 62 0 - 4.3-12.0 HB2 PRO 14 - HG2 GLU 19 far 0 35 0 - 8.8-19.5 HB2 PRO 14 - HG3 GLU 19 far 0 35 0 - 9.0-19.5 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (8.20, 2.30, 36.07 ppm; 4.60 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.7-4.1 524=100, 523/1.8=92...(11) H SER 22 + HG3 GLU 25 OK 85 97 100 87 2.3-4.6 1346/1.8=40, ~4153=35...(6) H ALA 28 - HG3 GLU 25 far 0 96 0 - 5.1-6.7 H ARG 27 - HG3 GLU 25 far 0 76 0 - 5.2-6.8 H THR 15 - HG3 GLU 25 far 0 100 0 - 9.5-22.6 Violated in 0 structures by 0.00 A. Peak 1353 from cnoeabs.peaks (4.09, 2.30, 36.07 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.1-3.7 1333=100, 1332/1.8=75...(19) HA ARG 26 - HG3 GLU 25 far 8 83 10 - 3.2-6.6 HA ALA 63 - HG3 GLU 59 far 0 43 0 - 6.4-8.7 HA ARG 27 - HG3 GLU 25 far 0 65 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 3.07 A increased from 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 19 - HG3 GLU 25 far 5 92 5 - 2.9-11.4 HB3 MET 31 - HG3 GLU 59 far 0 62 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (2.05, 2.30, 36.07 ppm; 3.07 A increased from 2.89 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 25 + HG3 GLU 25 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 19 - HG3 GLU 25 far 5 90 5 - 2.9-11.4 HB3 MET 31 - HG3 GLU 59 far 0 64 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 1356 from cnoeabs.peaks (2.26, 2.30, 36.07 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 25 + HG3 GLU 25 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 19 - HG3 GLU 25 far 0 63 0 - 2.9-12.9 HG2 GLU 19 - HG3 GLU 25 far 0 63 0 - 4.3-12.0 Violated in 0 structures by 0.00 A. 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): 4 out of 5 assignments used, quality = 1.00: * H ARG 26 + HA ARG 26 OK 100 100 100 100 2.8-2.8 3.0=100 H ARG 26 + HA GLU 25 OK 79 79 100 100 3.5-3.6 3.6=100 H ARG 71 + HA ARG 71 OK 58 58 100 100 2.8-2.9 2.9=100 H ASN 74 + HA ARG 71 OK 41 67 90 69 3.4-4.1 4.0/16010=31...(6) H ALA 78 - HA ARG 71 far 0 75 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. 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 19 assignments used, quality = 1.00: * HB2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 ARG 71 + HA ARG 71 OK 56 56 100 100 2.5-2.9 3.0=100 HB2 ARG 71 + HA ARG 71 OK 53 53 100 100 2.2-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 far 0 45 0 - 4.7-5.3 HB3 ARG 27 - HA GLU 25 far 0 47 0 - 5.4-6.6 HB2 ARG 27 - HA ARG 26 far 0 65 0 - 5.5-5.9 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 26 far 0 68 0 - 6.2-6.6 HB3 PRO 14 - HA ARG 26 far 0 99 0 - 6.8-27.2 HB ILE 68 - HA ARG 71 far 0 75 0 - 7.6-8.6 HB ILE 68 - HA GLU 25 far 0 64 0 - 8.0-9.5 HG12 ILE 40 - HA GLU 25 far 0 49 0 - 8.1-9.9 HB3 ARG 71 - HA GLU 25 far 0 47 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 45 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 49 0 - 9.1-11.6 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 9.4-10.6 HB2 ARG 27 - HA ARG 71 far 0 53 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.88, 4.07, 58.59 ppm; 3.30 A): 4 out of 21 assignments used, quality = 1.00: * HB3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 71 + HA ARG 71 OK 53 53 100 100 2.5-2.9 3.0=100 HB2 ARG 71 + HA ARG 71 OK 51 51 100 100 2.2-3.0 3.0=100 HB2 ARG 27 - HA GLU 25 far 0 43 0 - 4.7-5.3 HB3 ARG 27 - HA GLU 25 far 0 45 0 - 5.4-6.6 HB2 ARG 27 - HA ARG 26 far 0 63 0 - 5.5-5.9 HB2 GLU 19 - HA GLU 25 far 0 40 0 - 5.7-13.2 HB2 ARG 26 - HA GLU 25 far 0 79 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 79 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 26 far 0 65 0 - 6.2-6.6 HB2 GLU 19 - HA ARG 26 far 0 60 0 - 6.5-15.3 HB3 PRO 14 - HA ARG 26 far 0 99 0 - 6.8-27.2 HB ILE 68 - HA ARG 71 far 0 77 0 - 7.6-8.6 HB ILE 68 - HA GLU 25 far 0 66 0 - 8.0-9.5 HG12 ILE 40 - HA GLU 25 far 0 51 0 - 8.1-9.9 HB3 ARG 71 - HA GLU 25 far 0 45 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 43 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 47 0 - 9.1-11.6 HB2 ARG 66 - HA ARG 71 far 0 89 0 - 9.4-10.6 HB2 ARG 27 - HA ARG 71 far 0 51 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (1.62, 4.07, 58.59 ppm; 3.74 A increased from 3.52 A): 2 out of 17 assignments used, quality = 1.00: * HG2 ARG 26 + HA ARG 26 OK 100 100 100 100 2.3-3.8 3.7=100 HG2 ARG 71 + HA ARG 71 OK 85 90 95 100 2.2-4.0 3.8=95, 3.0/2937=51...(37) HG3 ARG 70 - HA ARG 71 far 13 86 15 - 3.2-6.6 HG3 ARG 27 - HA GLU 25 far 0 73 0 - 5.0-7.7 HG2 ARG 27 - HA GLU 25 far 0 74 0 - 5.0-7.8 HG2 ARG 27 - HA ARG 26 far 0 97 0 - 5.2-7.7 HG2 ARG 26 - HA GLU 25 far 0 79 0 - 5.3-7.0 HG3 ARG 27 - HA ARG 26 far 0 97 0 - 5.3-7.2 HG3 ARG 17 - HA ARG 26 far 0 100 0 - 7.2-18.6 HD3 LYS 73 - HA ARG 71 far 0 84 0 - 7.4-9.9 HD2 LYS 73 - HA ARG 71 far 0 84 0 - 7.8-9.5 HG3 ARG 17 - HA GLU 25 far 0 79 0 - 8.3-17.2 HG2 ARG 17 - HA ARG 26 far 0 100 0 - 8.5-17.0 HG3 ARG 27 - HA ARG 71 far 0 84 0 - 8.5-12.6 HG2 ARG 71 - HA GLU 25 far 0 79 0 - 9.1-13.6 HG2 ARG 27 - HA ARG 71 far 0 85 0 - 9.7-12.6 HG2 ARG 17 - HA GLU 25 far 0 78 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1363 from cnoeabs.peaks (1.75, 4.07, 58.59 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 26 + HA ARG 26 OK 99 100 100 99 2.6-3.9 3.7=99 HG3 ARG 71 + HA ARG 71 OK 76 90 85 100 2.6-4.2 3.8=89, 779/2.9=59...(31) HG3 ARG 26 - HA GLU 25 far 0 79 0 - 5.3-6.3 HB3 LYS 73 - HA ARG 71 far 0 49 0 - 5.7-6.8 HB ILE 33 - HA GLU 25 far 0 59 0 - 6.9-7.9 HB3 ARG 17 - HA ARG 26 far 0 100 0 - 7.7-16.2 HB3 ARG 17 - HA GLU 25 far 0 78 0 - 7.9-15.3 HB ILE 33 - HA ARG 26 far 0 83 0 - 8.5-9.3 HG3 ARG 71 - HA GLU 25 far 0 78 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 3 out of 22 assignments used, quality = 1.00: HD3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-4.8 4.8=97, 3.0/1363=48...(47) * HD2 ARG 26 + HA ARG 26 OK 90 100 90 100 2.4-5.4 4.8=97, 3.0/1363=48...(47) HD3 ARG 71 + HA ARG 71 OK 56 56 100 100 2.2-5.0 4.7=100 HD2 ARG 27 - HA ARG 26 far 0 100 0 - 5.1-8.3 HD3 ARG 27 - HA ARG 26 far 0 100 0 - 5.2-8.8 HD2 ARG 27 - HA GLU 25 far 0 78 0 - 5.9-8.8 HD3 ARG 27 - HA GLU 25 far 0 78 0 - 6.3-8.5 HD2 ARG 17 - HA ARG 26 far 0 93 0 - 6.4-17.1 HD3 ARG 17 - HA ARG 26 far 0 93 0 - 6.7-18.1 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 6.7-8.2 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 6.8-8.2 HD2 ARG 23 - HA ARG 26 far 0 98 0 - 6.9-11.4 HD3 ARG 23 - HA ARG 26 far 0 98 0 - 7.4-10.8 HD2 ARG 27 - HA ARG 71 far 0 89 0 - 7.8-12.9 HD2 ARG 23 - HA GLU 25 far 0 75 0 - 8.3-10.8 HD3 ARG 27 - HA ARG 71 far 0 89 0 - 8.7-13.4 HD3 ARG 23 - HA GLU 25 far 0 75 0 - 8.7-11.1 HD3 ARG 71 - HA GLU 25 far 0 47 0 - 8.9-15.3 HD3 ARG 17 - HA GLU 25 far 0 69 0 - 9.0-18.3 HD2 ARG 17 - HA GLU 25 far 0 69 0 - 9.2-17.0 HD2 ARG 23 - HA ARG 71 far 0 86 0 - 9.4-14.5 HD3 ARG 23 - HA ARG 71 far 0 86 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (3.17, 4.07, 58.59 ppm; 4.75 A): 3 out of 23 assignments used, quality = 1.00: * HD3 ARG 26 + HA ARG 26 OK 100 100 100 100 2.4-4.8 4.8=97, 3.0/1363=48...(47) HD2 ARG 26 + HA ARG 26 OK 90 100 90 100 2.4-5.4 4.8=97, 3.0/1363=48...(47) HD3 ARG 71 + HA ARG 71 OK 58 58 100 100 2.2-5.0 4.7=100 HD3 ARG 70 - HA ARG 71 far 7 49 15 - 4.1-7.9 HD2 ARG 27 - HA ARG 26 far 0 99 0 - 5.1-8.3 HD3 ARG 27 - HA ARG 26 far 0 99 0 - 5.2-8.8 HD2 ARG 27 - HA GLU 25 far 0 77 0 - 5.9-8.8 HD3 ARG 27 - HA GLU 25 far 0 77 0 - 6.3-8.5 HD2 ARG 17 - HA ARG 26 far 0 92 0 - 6.4-17.1 HD3 ARG 17 - HA ARG 26 far 0 92 0 - 6.7-18.1 HD2 ARG 26 - HA GLU 25 far 0 79 0 - 6.7-8.2 HD3 ARG 26 - HA GLU 25 far 0 79 0 - 6.8-8.2 HD2 ARG 23 - HA ARG 26 far 0 97 0 - 6.9-11.4 HD3 ARG 23 - HA ARG 26 far 0 97 0 - 7.4-10.8 HD2 ARG 27 - HA ARG 71 far 0 88 0 - 7.8-12.9 HD2 ARG 23 - HA GLU 25 far 0 74 0 - 8.3-10.8 HD3 ARG 27 - HA ARG 71 far 0 88 0 - 8.7-13.4 HD3 ARG 23 - HA GLU 25 far 0 74 0 - 8.7-11.1 HD3 ARG 71 - HA GLU 25 far 0 49 0 - 8.9-15.3 HD3 ARG 17 - HA GLU 25 far 0 67 0 - 9.0-18.3 HD2 ARG 17 - HA GLU 25 far 0 67 0 - 9.2-17.0 HD2 ARG 23 - HA ARG 71 far 0 85 0 - 9.4-14.5 HD3 ARG 23 - HA ARG 71 far 0 85 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 1366 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 4 out of 15 assignments used, quality = 1.00: * H ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.4-3.6 527=100, 529/3.0=48...(17) H ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.5-3.6 527/1.8=84, 3.9=72...(16) H ARG 71 + HB3 ARG 71 OK 31 31 100 98 2.1-3.6 4.0=68, 776/1.8=58...(13) H ARG 71 + HB2 ARG 71 OK 29 30 100 96 2.2-3.6 4.0=68, 779/2.8=40...(13) H THR 88 - HB3 GLU 87 poor 14 46 30 - 2.0-4.5 H LYS 85 - HB3 GLU 87 far 0 25 0 - 4.4-10.5 H ARG 26 - HB2 ARG 27 far 0 54 0 - 4.5-5.2 H ASN 74 - HB3 ARG 71 far 0 37 0 - 5.3-6.1 H ASN 74 - HB2 ARG 71 far 0 35 0 - 5.5-6.2 H ARG 26 - HB3 ARG 27 far 0 56 0 - 5.7-6.3 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.8-8.1 H ARG 71 - HB2 ARG 27 far 0 32 0 - 8.9-11.2 H ARG 71 - HB3 ARG 27 far 0 33 0 - 9.2-10.7 H ARG 26 - HB3 ARG 71 far 0 54 0 - 9.8-13.8 H ALA 78 - HB3 ARG 71 far 0 42 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 1367 from cnoeabs.peaks (4.07, 1.88, 29.99 ppm; 3.34 A): 4 out of 17 assignments used, quality = 1.00: * HA ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.4-2.6 3.0=100 HA ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.5-2.9 3.0=100 HA ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.2-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 98 0 - 4.6-4.7 HA GLU 25 - HB2 ARG 27 far 0 38 0 - 4.7-5.3 HA GLU 25 - HB3 ARG 27 far 0 40 0 - 5.4-6.6 HA ARG 26 - HB2 ARG 27 far 0 54 0 - 5.5-5.9 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 5.9-6.6 HA ARG 26 - HB3 ARG 27 far 0 56 0 - 6.2-6.6 HA VAL 90 - HB3 GLU 87 far 0 44 0 - 8.4-12.0 HA GLU 25 - HB3 ARG 71 far 0 38 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 36 0 - 9.0-12.5 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 9.4-10.6 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 9.4-10.2 HA ARG 71 - HB2 ARG 27 far 0 52 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 8 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): 8 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): 8 out of 39 assignments used, quality = 1.00: * HG2 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 71 + HB3 ARG 71 OK 53 53 100 100 2.4-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 52 52 100 100 2.3-3.0 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 51 51 100 100 2.4-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.3-3.0 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 50 50 100 100 2.4-3.0 2.9=100 HG3 ARG 27 + HB2 ARG 27 OK 49 49 100 100 2.3-3.0 2.9=100 HG2 ARG 27 - HB2 ARG 26 far 5 97 5 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 3 54 5 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 48 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 97 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 50 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.9-7.6 HG3 ARG 70 - HB2 ARG 66 far 0 97 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 56 0 - 4.9-8.5 HG LEU 86 - HB3 GLU 87 far 0 29 0 - 5.0-8.5 HB2 LEU 86 - HB3 GLU 87 far 0 44 0 - 5.1-7.5 HG3 ARG 27 - HB2 ARG 71 far 0 46 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 54 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 48 0 - 6.5-10.4 HG3 ARG 84 - HB3 GLU 87 far 0 23 0 - 6.7-15.1 HG2 ARG 71 - HB3 ARG 27 far 0 56 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 47 0 - 7.2-10.2 HG2 ARG 84 - HB3 GLU 87 far 0 23 0 - 7.5-14.2 HG2 ARG 27 - HB3 ARG 71 far 0 49 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 100 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 46 0 - 8.1-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 46 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 96 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 96 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 48 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.6-19.8 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 9.9-15.3 HB3 LEU 51 - HB2 ARG 66 far 0 77 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (1.75, 1.88, 29.99 ppm; 3.16 A): 4 out of 20 assignments used, quality = 1.00: * HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 53 53 100 100 2.2-3.0 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.3-3.0 2.8=100 HB3 LYS 85 - HB3 GLU 87 far 0 25 0 - 3.9-9.5 HG3 ARG 26 - HB2 ARG 27 far 0 54 0 - 4.6-7.3 HB2 ARG 84 - HB3 GLU 87 far 0 30 0 - 5.3-13.0 HG3 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.2-8.1 HG3 ARG 71 - HB2 ARG 27 far 0 54 0 - 6.7-10.6 HG3 ARG 71 - HB3 ARG 27 far 0 56 0 - 6.8-10.2 HB3 LYS 73 - HB2 ARG 71 far 0 24 0 - 7.3-8.7 HB ILE 33 - HB2 ARG 27 far 0 38 0 - 7.4-9.5 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.4-10.8 HB ILE 33 - HB3 ARG 27 far 0 40 0 - 7.4-8.6 HB2 LEU 62 - HB2 ARG 66 far 0 100 0 - 7.5-8.9 HB3 LYS 73 - HB3 ARG 71 far 0 26 0 - 7.7-8.8 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 7.9-18.0 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.6-17.2 HB3 ARG 82 - HB3 GLU 87 far 0 36 0 - 9.7-19.6 HB3 LYS 73 - HB2 ARG 66 far 0 59 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 11 out of 47 assignments used, quality = 1.00: * HD2 ARG 26 + HB2 ARG 26 OK 89 100 90 98 2.2-4.2 3.5=91, 6.1/527=17...(44) HD2 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.1-3.8 3.5=91, 532/3.9=12...(43) HD3 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.2-3.7 3.5=91, 1364/3.0=13...(43) HD3 ARG 66 + HB2 ARG 66 OK 83 93 90 99 2.4-3.7 3.4=92, ~2701=21...(14) HD2 ARG 66 + HB2 ARG 66 OK 67 91 75 98 2.1-3.8 3.4=92, ~2701=21...(14) HD3 ARG 26 + HB2 ARG 26 OK 59 100 60 98 2.2-4.2 3.5=91, 6.1/527=17...(44) HD3 ARG 27 + HB3 ARG 27 OK 46 55 85 98 2.0-4.1 3.5=85, 5382/4.1=13...(46) HD3 ARG 27 + HB2 ARG 27 OK 42 53 80 98 2.3-4.2 3.5=85, 5382/4.1=13...(46) HD2 ARG 27 + HB3 ARG 27 OK 38 55 70 99 2.4-4.2 3.5=85, 5382/4.1=12...(46) HD2 ARG 27 + HB2 ARG 27 OK 37 53 70 99 2.2-4.2 3.5=85, 5382/4.1=12...(46) HD3 ARG 71 + HB3 ARG 71 OK 23 30 80 98 2.2-4.2 3.5=86, ~2937=25...(30) HD3 ARG 27 - HB2 ARG 26 far 15 100 15 - 3.3-7.3 HD3 ARG 71 - HB2 ARG 71 poor 10 28 35 - 2.8-4.2 HD2 ARG 27 - HB2 ARG 26 far 5 100 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 100 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.2-9.8 HD3 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.5-9.7 HD2 ARG 84 - HB3 GLU 87 far 0 24 0 - 4.9-14.0 HD2 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.3-9.0 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 5.3-15.7 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.5-10.6 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 6.1-11.3 HD3 ARG 71 - HB2 ARG 27 far 0 30 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 32 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 54 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.6-9.7 HD2 ARG 23 - HB2 ARG 27 far 0 51 0 - 6.8-11.8 HD2 ARG 17 - HB3 ARG 26 far 0 93 0 - 6.9-18.9 HD3 ARG 23 - HB2 ARG 27 far 0 51 0 - 6.9-10.6 HD2 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 50 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 93 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 93 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 48 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 53 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 53 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 48 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 93 0 - 8.4-20.2 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 67 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 42 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 11 out of 50 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 89 100 90 98 2.2-4.2 3.5=91, 6.1/527=17...(44) HD2 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.1-3.8 3.5=91, 532/3.9=12...(43) HD3 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.2-3.7 3.5=91, 1364/3.0=13...(43) HD3 ARG 66 + HB2 ARG 66 OK 84 95 90 99 2.4-3.7 3.4=92, ~2701=21...(14) HD2 ARG 66 + HB2 ARG 66 OK 68 92 75 98 2.1-3.8 3.4=92, ~2701=21...(14) * HD3 ARG 26 + HB2 ARG 26 OK 59 100 60 98 2.2-4.2 3.5=91, 6.1/527=17...(44) HD3 ARG 27 + HB3 ARG 27 OK 46 55 85 98 2.0-4.1 3.5=85, 5382/4.1=13...(46) HD3 ARG 27 + HB2 ARG 27 OK 41 52 80 98 2.3-4.2 3.5=85, 5382/4.1=13...(46) HD2 ARG 27 + HB3 ARG 27 OK 38 55 70 99 2.4-4.2 3.5=85, 5382/4.1=12...(46) HD2 ARG 27 + HB2 ARG 27 OK 36 52 70 99 2.2-4.2 3.5=85, 5382/4.1=12...(46) HD3 ARG 71 + HB3 ARG 71 OK 24 31 80 98 2.2-4.2 3.5=86, ~2937=25...(30) HD3 ARG 27 - HB2 ARG 26 far 15 99 15 - 3.3-7.3 HD3 ARG 71 - HB2 ARG 71 poor 10 30 35 - 2.8-4.2 HD2 ARG 27 - HB2 ARG 26 far 5 99 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 99 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.2-9.8 HD3 ARG 70 - HB2 ARG 66 far 0 59 0 - 4.2-8.3 HD3 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.5-9.7 HD2 ARG 84 - HB3 GLU 87 far 0 23 0 - 4.9-14.0 HD2 ARG 26 - HB2 ARG 27 far 0 54 0 - 5.3-9.0 HD3 ARG 84 - HB3 GLU 87 far 0 25 0 - 5.3-15.7 HD3 ARG 70 - HB3 ARG 71 far 0 26 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 24 0 - 5.3-8.6 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.5-10.6 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 52 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 50 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 50 0 - 6.1-11.3 HD3 ARG 71 - HB2 ARG 27 far 0 32 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 33 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 54 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 52 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 56 0 - 6.6-9.7 HD2 ARG 23 - HB2 ARG 27 far 0 50 0 - 6.8-11.8 HD2 ARG 17 - HB3 ARG 26 far 0 92 0 - 6.9-18.9 HD3 ARG 23 - HB2 ARG 27 far 0 50 0 - 6.9-10.6 HD2 ARG 23 - HB3 ARG 71 far 0 49 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 49 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 56 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 92 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 92 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 47 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 52 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 52 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 47 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 92 0 - 8.4-20.2 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 43 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (8.13, 1.88, 29.99 ppm; 3.51 A): 4 out of 16 assignments used, quality = 1.00: H ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.4-3.6 528=100, 529/3.0=48...(17) * H ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.5-3.6 527/1.8=84, 3.9=72...(16) H ARG 71 + HB3 ARG 71 OK 29 30 100 98 2.1-3.6 4.0=68, 776/1.8=58...(13) H ARG 71 + HB2 ARG 71 OK 27 28 100 96 2.2-3.6 4.0=68, 779/2.8=40...(13) H THR 88 - HB3 GLU 87 poor 15 48 30 - 2.0-4.5 H LYS 85 - HB3 GLU 87 far 0 27 0 - 4.4-10.5 H ARG 26 - HB2 ARG 27 far 0 52 0 - 4.5-5.2 H ASN 74 - HB3 ARG 71 far 0 35 0 - 5.3-6.1 H ASN 74 - HB2 ARG 71 far 0 33 0 - 5.5-6.2 H ARG 26 - HB3 ARG 27 far 0 54 0 - 5.7-6.3 H ARG 71 - HB2 ARG 66 far 0 69 0 - 6.8-8.1 H ARG 26 - HB2 GLU 19 far 0 59 0 - 7.5-14.3 H ARG 71 - HB2 ARG 27 far 0 30 0 - 8.9-11.2 H ARG 71 - HB3 ARG 27 far 0 32 0 - 9.2-10.7 H ARG 26 - HB3 ARG 71 far 0 51 0 - 9.8-13.8 H ALA 78 - HB3 ARG 71 far 0 40 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (4.07, 1.88, 29.99 ppm; 3.34 A): 4 out of 19 assignments used, quality = 1.00: * HA ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.4-2.6 3.0=100 HA ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 49 49 100 100 2.5-2.9 3.0=100 HA ARG 71 + HB2 ARG 71 OK 47 47 100 100 2.2-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 98 0 - 4.6-4.7 HA GLU 25 - HB2 ARG 27 far 0 37 0 - 4.7-5.3 HA GLU 25 - HB3 ARG 27 far 0 38 0 - 5.4-6.6 HA ARG 26 - HB2 ARG 27 far 0 52 0 - 5.5-5.9 HA GLU 25 - HB2 GLU 19 far 0 42 0 - 5.7-13.2 HA GLU 25 - HB2 ARG 26 far 0 83 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 83 0 - 5.9-6.6 HA ARG 26 - HB3 ARG 27 far 0 54 0 - 6.2-6.6 HA ARG 26 - HB2 GLU 19 far 0 59 0 - 6.5-15.3 HA VAL 90 - HB3 GLU 87 far 0 46 0 - 8.4-12.0 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 9.0-12.5 HA ARG 71 - HB2 ARG 66 far 0 98 0 - 9.4-10.6 HA GLU 59 - HB2 ARG 66 far 0 72 0 - 9.4-10.2 HA ARG 71 - HB2 ARG 27 far 0 50 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 1376 from cnoeabs.peaks (1.88, 1.88, 29.99 ppm; diagonal): 8 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): 9 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): 8 out of 43 assignments used, quality = 1.00: * HG2 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.4-3.0 2.8=100 HG2 ARG 27 + HB3 ARG 27 OK 50 50 100 100 2.3-3.0 2.9=100 HG3 ARG 27 + HB3 ARG 27 OK 49 49 100 100 2.4-3.0 2.9=100 HG2 ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.3-3.0 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 48 48 100 100 2.4-3.0 2.9=100 HG3 ARG 27 + HB2 ARG 27 OK 47 47 100 100 2.3-3.0 2.9=100 HG2 ARG 27 - HB2 ARG 26 far 5 97 5 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 3 52 5 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 46 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 97 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 48 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 97 0 - 4.9-7.6 HG3 ARG 70 - HB2 ARG 66 far 0 97 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 54 0 - 4.9-8.5 HG LEU 86 - HB3 GLU 87 far 0 30 0 - 5.0-8.5 HB2 LEU 86 - HB3 GLU 87 far 0 46 0 - 5.1-7.5 HG2 ARG 17 - HB2 GLU 19 far 0 59 0 - 6.0-11.2 HG2 ARG 26 - HB2 GLU 19 far 0 59 0 - 6.2-15.6 HG3 ARG 27 - HB2 ARG 71 far 0 44 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 52 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 46 0 - 6.5-10.4 HG3 ARG 84 - HB3 GLU 87 far 0 24 0 - 6.7-15.1 HG2 ARG 71 - HB3 ARG 27 far 0 54 0 - 6.8-10.5 HG3 ARG 17 - HB2 GLU 19 far 0 59 0 - 7.1-11.8 HG2 ARG 27 - HB2 ARG 71 far 0 45 0 - 7.2-10.2 HG2 ARG 84 - HB3 GLU 87 far 0 24 0 - 7.5-14.2 HG2 ARG 27 - HB3 ARG 71 far 0 47 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 100 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 44 0 - 8.1-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 44 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 46 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 95 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 100 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 95 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 46 0 - 9.6-11.2 HG3 ARG 27 - HB2 GLU 19 far 0 54 0 - 9.6-20.3 HG3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.6-19.8 HG2 ARG 71 - HB2 ARG 26 far 0 100 0 - 9.9-15.3 HB3 LEU 51 - HB2 ARG 66 far 0 76 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 1379 from cnoeabs.peaks (1.75, 1.88, 29.99 ppm; 3.16 A): 4 out of 23 assignments used, quality = 1.00: * HG3 ARG 26 + HB3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 26 + HB2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 71 + HB3 ARG 71 OK 51 51 100 100 2.2-3.0 2.8=100 HG3 ARG 71 + HB2 ARG 71 OK 49 49 100 100 2.3-3.0 2.8=100 HB3 LYS 85 - HB3 GLU 87 far 0 27 0 - 3.9-9.5 HB3 ARG 17 - HB2 GLU 19 far 0 58 0 - 4.4-9.9 HG3 ARG 26 - HB2 ARG 27 far 0 52 0 - 4.6-7.3 HB2 ARG 84 - HB3 GLU 87 far 0 32 0 - 5.3-13.0 HG3 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.2-8.1 HG3 ARG 71 - HB2 ARG 27 far 0 51 0 - 6.7-10.6 HG3 ARG 71 - HB3 ARG 27 far 0 54 0 - 6.8-10.2 HG3 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.1-14.3 HB3 LYS 73 - HB2 ARG 71 far 0 23 0 - 7.3-8.7 HB ILE 33 - HB2 ARG 27 far 0 37 0 - 7.4-9.5 HG3 ARG 71 - HB2 ARG 66 far 0 99 0 - 7.4-10.8 HB ILE 33 - HB3 ARG 27 far 0 38 0 - 7.4-8.6 HB2 LEU 62 - HB2 ARG 66 far 0 99 0 - 7.5-8.9 HB3 LYS 73 - HB3 ARG 71 far 0 24 0 - 7.7-8.8 HB3 ARG 17 - HB3 ARG 26 far 0 100 0 - 7.9-18.0 HB ILE 33 - HB2 GLU 19 far 0 42 0 - 9.6-18.2 HB3 ARG 17 - HB2 ARG 26 far 0 100 0 - 9.6-17.2 HB3 ARG 82 - HB3 GLU 87 far 0 38 0 - 9.7-19.6 HB3 LYS 73 - HB2 ARG 66 far 0 58 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 11 out of 52 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 89 100 90 98 2.2-4.2 3.5=91, 6.1/528=17...(44) * HD2 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.1-3.8 3.5=91, 532/3.9=12...(43) HD3 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.2-3.7 3.5=91, 1364/3.0=13...(43) HD3 ARG 66 + HB2 ARG 66 OK 82 93 90 99 2.4-3.7 3.4=92, ~2701=21...(14) HD2 ARG 66 + HB2 ARG 66 OK 67 90 75 98 2.1-3.8 3.4=92, ~2701=21...(14) HD3 ARG 26 + HB2 ARG 26 OK 59 100 60 98 2.2-4.2 3.5=91, 6.1/528=17...(44) HD3 ARG 27 + HB3 ARG 27 OK 44 53 85 98 2.0-4.1 3.5=85, 5382/4.1=13...(46) HD3 ARG 27 + HB2 ARG 27 OK 40 51 80 98 2.3-4.2 3.5=85, 5382/4.1=13...(46) HD2 ARG 27 + HB3 ARG 27 OK 37 53 70 99 2.4-4.2 3.5=85, 5382/4.1=12...(46) HD2 ARG 27 + HB2 ARG 27 OK 35 51 70 99 2.2-4.2 3.5=85, 5382/4.1=12...(46) HD3 ARG 71 + HB3 ARG 71 OK 22 28 80 98 2.2-4.2 3.5=86, ~2937=25...(30) HD3 ARG 27 - HB2 ARG 26 far 15 100 15 - 3.3-7.3 HD3 ARG 71 - HB2 ARG 71 poor 9 27 35 - 2.8-4.2 HD2 ARG 27 - HB2 ARG 26 far 5 100 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 100 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 100 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.2-9.8 HD3 ARG 23 - HB2 ARG 26 far 0 98 0 - 4.5-9.7 HD2 ARG 84 - HB3 GLU 87 far 0 25 0 - 4.9-14.0 HD2 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.3-9.0 HD3 ARG 84 - HB3 GLU 87 far 0 28 0 - 5.3-15.7 HD2 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.5-10.6 HD3 ARG 23 - HB3 ARG 26 far 0 98 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.9-10.5 HD3 ARG 17 - HB2 GLU 19 far 0 50 0 - 5.9-12.6 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.1-11.3 HD3 ARG 71 - HB2 ARG 27 far 0 29 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 30 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.6-9.7 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 6.8-11.8 HD2 ARG 17 - HB3 ARG 26 far 0 93 0 - 6.9-18.9 HD2 ARG 17 - HB2 GLU 19 far 0 50 0 - 6.9-13.2 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 6.9-10.6 HD2 ARG 23 - HB3 ARG 71 far 0 48 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 48 0 - 7.3-12.6 HD3 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.6-16.0 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 93 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 93 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 46 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 51 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 51 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 46 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 93 0 - 8.4-20.2 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 8.8-16.7 HD3 ARG 71 - HB2 ARG 26 far 0 68 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 66 0 - 9.3-12.4 HD2 ARG 27 - HB2 GLU 19 far 0 58 0 - 9.7-20.4 HD2 ARG 66 - HB2 ARG 71 far 0 40 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (3.17, 1.88, 29.99 ppm; 3.36 A): 11 out of 55 assignments used, quality = 1.00: HD2 ARG 26 + HB2 ARG 26 OK 89 100 90 98 2.2-4.2 3.5=91, 6.1/528=17...(44) HD2 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.1-3.8 3.5=91, 532/3.9=12...(43) * HD3 ARG 26 + HB3 ARG 26 OK 89 100 90 98 2.2-3.7 3.5=91, 1364/3.0=13...(43) HD3 ARG 66 + HB2 ARG 66 OK 83 94 90 99 2.4-3.7 3.4=92, ~2701=21...(14) HD2 ARG 66 + HB2 ARG 66 OK 68 92 75 98 2.1-3.8 3.4=92, ~2701=21...(14) HD3 ARG 26 + HB2 ARG 26 OK 59 100 60 98 2.2-4.2 3.5=91, 6.1/528=17...(44) HD3 ARG 27 + HB3 ARG 27 OK 44 52 85 98 2.0-4.1 3.5=85, 5382/4.1=13...(46) HD3 ARG 27 + HB2 ARG 27 OK 39 50 80 98 2.3-4.2 3.5=85, 5382/4.1=13...(46) HD2 ARG 27 + HB3 ARG 27 OK 36 52 70 99 2.4-4.2 3.5=85, 5382/4.1=12...(46) HD2 ARG 27 + HB2 ARG 27 OK 35 50 70 99 2.2-4.2 3.5=85, 5382/4.1=12...(46) HD3 ARG 71 + HB3 ARG 71 OK 23 30 80 98 2.2-4.2 3.5=86, ~2937=25...(30) HD3 ARG 27 - HB2 ARG 26 far 15 99 15 - 3.3-7.3 HD3 ARG 71 - HB2 ARG 71 poor 10 28 35 - 2.8-4.2 HD2 ARG 27 - HB2 ARG 26 far 5 99 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 99 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 99 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.2-9.8 HD3 ARG 70 - HB2 ARG 66 far 0 58 0 - 4.2-8.3 HD3 ARG 23 - HB2 ARG 26 far 0 97 0 - 4.5-9.7 HD2 ARG 84 - HB3 GLU 87 far 0 24 0 - 4.9-14.0 HD2 ARG 26 - HB2 ARG 27 far 0 52 0 - 5.3-9.0 HD3 ARG 84 - HB3 GLU 87 far 0 27 0 - 5.3-15.7 HD3 ARG 70 - HB3 ARG 71 far 0 24 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 23 0 - 5.3-8.6 HD2 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.5-10.6 HD3 ARG 23 - HB3 ARG 26 far 0 97 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 50 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 48 0 - 5.9-10.5 HD3 ARG 17 - HB2 GLU 19 far 0 49 0 - 5.9-12.6 HD3 ARG 27 - HB2 ARG 71 far 0 48 0 - 6.1-11.3 HD3 ARG 71 - HB2 ARG 27 far 0 30 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 32 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 50 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 54 0 - 6.6-9.7 HD2 ARG 23 - HB2 ARG 27 far 0 48 0 - 6.8-11.8 HD2 ARG 17 - HB3 ARG 26 far 0 92 0 - 6.9-18.9 HD2 ARG 17 - HB2 GLU 19 far 0 49 0 - 6.9-13.2 HD3 ARG 23 - HB2 ARG 27 far 0 48 0 - 6.9-10.6 HD2 ARG 23 - HB3 ARG 71 far 0 47 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 47 0 - 7.3-12.6 HD3 ARG 26 - HB2 GLU 19 far 0 59 0 - 7.6-16.0 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 92 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 92 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 45 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 50 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 50 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 45 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 92 0 - 8.4-20.2 HD2 ARG 26 - HB2 GLU 19 far 0 59 0 - 8.8-16.7 HD3 ARG 71 - HB2 ARG 26 far 0 71 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 69 0 - 9.3-12.4 HD2 ARG 27 - HB2 GLU 19 far 0 57 0 - 9.7-20.4 HD2 ARG 66 - HB2 ARG 71 far 0 41 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (8.13, 1.62, 27.49 ppm; 4.48 A): 2 out of 15 assignments used, quality = 1.00: * H ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.1-3.8 529=100, 528/3.0=87...(18) H ARG 71 + HG3 ARG 70 OK 24 34 70 98 2.8-5.0 5.0=72, 307/1.8=58...(13) H LYS 85 - HG2 ARG 84 poor 18 30 80 75 2.8-5.4 377/3.9=45, 378/3.0=22...(6) H LYS 85 - HG3 ARG 84 poor 18 30 60 - 3.6-5.5 H ARG 26 - HG3 ARG 27 poor 18 88 20 - 3.9-7.1 H ARG 26 - HG2 ARG 27 poor 14 89 25 62 3.9-7.1 5380/5.0=54...(3) H ASN 74 - HG3 ARG 70 far 4 40 10 - 4.7-7.5 H ALA 78 - HG2 ARG 84 far 0 43 0 - 8.0-17.0 H ARG 71 - HG3 ARG 27 far 0 56 0 - 8.2-11.7 H THR 88 - HG3 ARG 84 far 0 55 0 - 8.6-14.6 H ARG 71 - HG2 ARG 27 far 0 57 0 - 8.8-11.5 H ALA 78 - HG3 ARG 84 far 0 43 0 - 9.1-15.9 H THR 88 - HG2 ARG 84 far 0 55 0 - 9.5-14.3 H ARG 26 - HG3 ARG 17 far 0 60 0 - 9.6-17.4 H ARG 26 - HG2 ARG 17 far 0 60 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (4.07, 1.62, 27.49 ppm; 3.84 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.8 3.7=100 HA ARG 71 - HG3 ARG 70 poor 11 56 20 - 3.2-6.6 HA GLU 25 - HG3 ARG 27 far 0 67 0 - 5.0-7.7 HA GLU 25 - HG2 ARG 27 far 0 68 0 - 5.0-7.8 HA ARG 26 - HG2 ARG 27 far 0 89 0 - 5.2-7.7 HA GLU 25 - HG2 ARG 26 far 0 83 0 - 5.3-7.0 HA ARG 26 - HG3 ARG 27 far 0 88 0 - 5.3-7.2 HA ARG 26 - HG3 ARG 17 far 0 60 0 - 7.2-18.6 HA GLU 25 - HG3 ARG 17 far 0 43 0 - 8.3-17.2 HA ARG 26 - HG2 ARG 17 far 0 60 0 - 8.5-17.0 HA ARG 71 - HG3 ARG 27 far 0 86 0 - 8.5-12.6 HA ALA 63 - HG3 ARG 70 far 0 56 0 - 8.9-11.9 HA ARG 71 - HG2 ARG 27 far 0 87 0 - 9.7-12.6 HA GLU 25 - HG2 ARG 17 far 0 43 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.15 A): 6 out of 34 assignments used, quality = 1.00: * HB2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 55 55 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 54 54 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 53 53 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 52 52 100 100 2.3-3.0 2.9=100 HB2 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 65 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 31 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 88 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 33 0 - 3.7-8.4 HB3 ARG 26 - HG2 ARG 27 far 0 89 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.9-7.6 HB2 ARG 66 - HG3 ARG 70 far 0 58 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 68 0 - 4.9-8.5 HB3 PRO 14 - HG2 ARG 17 far 0 57 0 - 5.9-14.8 HB2 ARG 71 - HG3 ARG 27 far 0 52 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 54 0 - 6.5-10.4 HB3 GLU 87 - HG3 ARG 84 far 0 28 0 - 6.7-15.1 HB ILE 68 - HG3 ARG 27 far 0 73 0 - 7.0-9.4 HB ILE 68 - HG2 ARG 27 far 0 74 0 - 7.2-9.4 HB2 ARG 71 - HG2 ARG 27 far 0 53 0 - 7.2-10.2 HB3 PRO 14 - HG3 ARG 17 far 0 57 0 - 7.3-15.0 HB3 PRO 34 - HG3 ARG 17 far 0 58 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 7.3-20.5 HB3 GLU 87 - HG2 ARG 84 far 0 28 0 - 7.5-14.2 HB3 ARG 71 - HG2 ARG 27 far 0 55 0 - 7.6-10.4 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 7.6-28.9 HB ILE 68 - HG3 ARG 70 far 0 46 0 - 7.6-9.6 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 35 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 59 0 - 9.3-19.2 HB2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.6-19.8 HG12 ILE 40 - HG3 ARG 17 far 0 35 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (1.88, 1.62, 27.49 ppm; 3.15 A): 6 out of 38 assignments used, quality = 1.00: * HB3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 27 + HG2 ARG 27 OK 53 53 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 52 52 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 50 50 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 49 49 100 100 2.3-3.0 2.9=100 HB2 ARG 26 - HG2 ARG 27 far 4 89 5 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 63 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 30 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 88 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 31 0 - 3.7-8.4 HB3 ARG 26 - HG2 ARG 27 far 0 89 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 88 0 - 4.9-7.6 HB2 ARG 66 - HG3 ARG 70 far 0 57 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 65 0 - 4.9-8.5 HB3 PRO 14 - HG2 ARG 17 far 0 58 0 - 5.9-14.8 HB2 GLU 19 - HG2 ARG 17 far 0 29 0 - 6.0-11.2 HB2 GLU 19 - HG2 ARG 26 far 0 60 0 - 6.2-15.6 HB2 ARG 71 - HG3 ARG 27 far 0 49 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 52 0 - 6.5-10.4 HB3 GLU 87 - HG3 ARG 84 far 0 29 0 - 6.7-15.1 HB ILE 68 - HG3 ARG 27 far 0 75 0 - 7.0-9.4 HB2 GLU 19 - HG3 ARG 17 far 0 29 0 - 7.1-11.8 HB ILE 68 - HG2 ARG 27 far 0 76 0 - 7.2-9.4 HB2 ARG 71 - HG2 ARG 27 far 0 50 0 - 7.2-10.2 HB3 PRO 14 - HG3 ARG 17 far 0 58 0 - 7.3-15.0 HB3 PRO 34 - HG3 ARG 17 far 0 57 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 57 0 - 7.3-20.5 HB3 GLU 87 - HG2 ARG 84 far 0 29 0 - 7.5-14.2 HB3 ARG 71 - HG2 ARG 27 far 0 53 0 - 7.6-10.4 HB3 PRO 14 - HG2 ARG 26 far 0 99 0 - 7.6-28.9 HB ILE 68 - HG3 ARG 70 far 0 47 0 - 7.6-9.6 HB3 ARG 26 - HG3 ARG 17 far 0 60 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 34 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 60 0 - 9.3-19.2 HB2 GLU 19 - HG3 ARG 27 far 0 47 0 - 9.6-20.3 HB2 ARG 26 - HG3 ARG 17 far 0 60 0 - 9.6-19.8 HG12 ILE 40 - HG3 ARG 17 far 0 37 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 1386 from cnoeabs.peaks (1.62, 1.62, 27.49 ppm; diagonal): 8 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): 5 out of 29 assignments used, quality = 1.00: * HG3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG2 ARG 17 OK 56 58 100 96 2.2-3.0 2.9=78, 1.8/1159=21...(25) HB3 ARG 17 + HG3 ARG 17 OK 42 59 75 97 2.5-3.0 2.9=78, 1167/1.8=29...(25) HB2 ARG 84 + HG3 ARG 84 OK 34 36 100 95 2.3-3.0 3.0=77, 3379/1.8=17...(29) HB2 ARG 84 + HG2 ARG 84 OK 26 36 75 95 2.5-3.0 3.0=77, 3379/1.8=17...(29) HG3 ARG 71 - HG3 ARG 70 far 3 58 5 - 2.6-8.1 HB3 ARG 82 - HG3 ARG 84 far 0 43 0 - 3.5-10.7 HB3 ARG 82 - HG2 ARG 84 far 0 43 0 - 4.3-9.7 HG3 ARG 26 - HG2 ARG 27 far 0 89 0 - 4.5-8.5 HB3 LYS 73 - HG3 ARG 70 far 0 28 0 - 5.1-8.7 HB ILE 33 - HG3 ARG 17 far 0 43 0 - 5.1-18.7 HG3 ARG 26 - HG3 ARG 27 far 0 88 0 - 5.2-8.2 HB3 LYS 85 - HG3 ARG 84 far 0 30 0 - 5.2-8.5 HG3 ARG 71 - HG3 ARG 27 far 0 88 0 - 5.8-10.8 HG3 ARG 71 - HG2 ARG 27 far 0 89 0 - 6.0-10.8 HB3 LYS 85 - HG2 ARG 84 far 0 30 0 - 6.2-8.6 HB ILE 33 - HG2 ARG 17 far 0 43 0 - 6.2-18.3 HB3 LYS 32 - HG3 ARG 17 far 0 35 0 - 6.3-22.4 HB3 LYS 32 - HG2 ARG 17 far 0 35 0 - 7.3-20.7 HB3 ARG 17 - HG2 ARG 26 far 0 100 0 - 7.7-17.4 HB2 LYS 32 - HG3 ARG 17 far 0 35 0 - 7.7-23.1 HG3 ARG 26 - HG3 ARG 17 far 0 60 0 - 8.4-18.4 HB2 LYS 32 - HG2 ARG 17 far 0 35 0 - 8.7-21.5 HG2 PRO 34 - HG3 ARG 17 far 0 54 0 - 8.7-22.5 HG2 PRO 34 - HG2 ARG 17 far 0 54 0 - 8.9-22.3 HG3 ARG 26 - HG2 ARG 17 far 0 60 0 - 8.9-18.2 HB ILE 33 - HG2 ARG 27 far 0 68 0 - 9.3-10.6 HB ILE 33 - HG3 ARG 27 far 0 67 0 - 9.3-10.6 HG3 ARG 71 - HG2 ARG 26 far 0 100 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1388 from cnoeabs.peaks (3.17, 1.62, 27.49 ppm; 3.50 A): 14 out of 39 assignments used, quality = 1.00: * HD2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 88 88 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 88 88 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 87 87 100 100 2.6-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 32 32 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 32 32 100 100 2.4-3.0 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 29 29 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 29 29 100 100 2.4-3.0 2.9=100 HD3 ARG 27 - HG2 ARG 26 far 5 100 5 - 2.5-10.1 HD2 ARG 27 - HG2 ARG 26 far 5 100 5 - 3.7-9.6 HD2 ARG 23 - HG2 ARG 26 far 5 98 5 - 3.6-11.0 HD3 ARG 71 - HG3 ARG 70 far 0 33 0 - 4.3-9.9 HD2 ARG 82 - HG2 ARG 84 far 0 30 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 98 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 93 0 - 4.8-18.2 HD3 ARG 71 - HG3 ARG 27 far 0 54 0 - 4.9-12.5 HD2 ARG 26 - HG2 ARG 27 far 0 89 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 89 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 30 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 93 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 85 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 88 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 84 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 85 0 - 6.0-10.1 HD3 ARG 23 - HG3 ARG 27 far 0 84 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 48 0 - 6.1-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 55 0 - 6.2-12.4 HD3 ARG 66 - HG3 ARG 70 far 0 51 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 88 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 59 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 60 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (3.17, 1.62, 27.49 ppm; 3.50 A): 15 out of 42 assignments used, quality = 1.00: * HD3 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 87 87 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 86 86 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 86 86 100 100 2.6-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 50 50 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 50 50 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.4-3.0 3.0=100 HD3 ARG 84 + HG2 ARG 84 OK 30 30 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 30 30 100 100 2.4-3.0 2.9=100 HD3 ARG 70 + HG3 ARG 70 OK 28 28 100 100 2.4-3.0 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 28 28 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 28 28 100 100 2.4-3.0 2.9=100 HD3 ARG 27 - HG2 ARG 26 far 5 99 5 - 2.5-10.1 HD2 ARG 27 - HG2 ARG 26 far 5 99 5 - 3.7-9.6 HD2 ARG 23 - HG2 ARG 26 far 5 97 5 - 3.6-11.0 HD3 ARG 71 - HG3 ARG 70 far 0 34 0 - 4.3-9.9 HD2 ARG 82 - HG2 ARG 84 far 0 29 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 97 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 92 0 - 4.8-18.2 HD3 ARG 71 - HG3 ARG 27 far 0 56 0 - 4.9-12.5 HD2 ARG 26 - HG2 ARG 27 far 0 89 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 89 0 - 5.3-10.2 HD2 ARG 82 - HG3 ARG 84 far 0 29 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 92 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 84 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 88 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 83 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 84 0 - 6.0-10.1 HD3 ARG 23 - HG3 ARG 27 far 0 83 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 50 0 - 6.1-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 57 0 - 6.2-12.4 HD3 ARG 66 - HG3 ARG 70 far 0 52 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 60 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 88 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 60 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 60 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 59 0 - 8.6-19.6 HD3 ARG 70 - HG3 ARG 27 far 0 47 0 - 9.8-15.9 HD3 ARG 70 - HG2 ARG 27 far 0 48 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (8.13, 1.75, 27.49 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.0-2.8 529/1.8=84, 527/3.0=81...(16) Violated in 0 structures by 0.00 A. Peak 1391 from cnoeabs.peaks (4.07, 1.75, 27.49 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.6-3.9 3.7=100 HA GLU 25 - HG3 ARG 26 far 0 83 0 - 5.3-6.3 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (1.88, 1.75, 27.49 ppm; 3.09 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 27 - HG3 ARG 26 far 0 65 0 - 4.6-7.3 HB3 ARG 27 - HG3 ARG 26 far 0 68 0 - 6.2-8.1 HB3 PRO 14 - HG3 ARG 26 far 0 99 0 - 9.1-27.1 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (1.88, 1.75, 27.49 ppm; 3.09 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 27 - HG3 ARG 26 far 0 63 0 - 4.6-7.3 HB3 ARG 27 - HG3 ARG 26 far 0 65 0 - 6.2-8.1 HB2 GLU 19 - HG3 ARG 26 far 0 60 0 - 7.1-14.3 HB3 PRO 14 - HG3 ARG 26 far 0 99 0 - 9.1-27.1 Violated in 0 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (1.62, 1.75, 27.49 ppm; 2.66 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 27 - HG3 ARG 26 far 0 97 0 - 4.5-8.5 HG3 ARG 27 - HG3 ARG 26 far 0 97 0 - 5.2-8.2 HG3 ARG 17 - HG3 ARG 26 far 0 100 0 - 8.4-18.4 HG2 ARG 17 - HG3 ARG 26 far 0 100 0 - 8.9-18.2 Violated in 0 structures by 0.00 A. 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; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG3 ARG 26 far 5 100 5 - 3.8-9.2 HD3 ARG 23 - HG3 ARG 26 far 5 98 5 - 3.9-9.4 HD2 ARG 23 - HG3 ARG 26 far 0 98 0 - 4.4-9.5 HD2 ARG 27 - HG3 ARG 26 far 0 100 0 - 5.2-9.2 HD2 ARG 17 - HG3 ARG 26 far 0 93 0 - 6.1-17.7 HD3 ARG 17 - HG3 ARG 26 far 0 93 0 - 6.7-18.9 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (3.17, 1.75, 27.49 ppm; 3.79 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 26 + HG3 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 - HG3 ARG 26 far 5 99 5 - 3.8-9.2 HD3 ARG 23 - HG3 ARG 26 far 5 97 5 - 3.9-9.4 HD2 ARG 23 - HG3 ARG 26 far 0 97 0 - 4.4-9.5 HD2 ARG 27 - HG3 ARG 26 far 0 99 0 - 5.2-9.2 HD2 ARG 17 - HG3 ARG 26 far 0 92 0 - 6.1-17.7 HD3 ARG 17 - HG3 ARG 26 far 0 92 0 - 6.7-18.9 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (4.07, 3.17, 43.10 ppm; 4.80 A): 5 out of 28 assignments used, quality = 1.00: HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.4-4.8 4.8=100 * HA ARG 26 + HD2 ARG 26 OK 90 100 90 100 2.4-5.4 4.8=100 HA ARG 71 + HD3 ARG 71 OK 66 66 100 100 2.2-5.0 4.7=100 HA ALA 63 + HD2 ARG 66 OK 40 50 80 100 2.7-6.1 4684/3.4=73, 5370/3.0=69...(9) HA ALA 63 + HD3 ARG 66 OK 39 52 75 100 2.7-6.4 4684/3.4=73, 5370/3.0=69...(9) HA ARG 26 - HD2 ARG 27 far 5 100 5 - 5.1-8.3 HA ARG 26 - HD3 ARG 27 far 0 100 0 - 5.2-8.8 HA GLU 25 - HD2 ARG 27 far 0 81 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.3-8.5 HA ARG 26 - HD2 ARG 17 far 0 93 0 - 6.4-17.1 HA ARG 26 - HD3 ARG 17 far 0 93 0 - 6.7-18.1 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 6.7-8.2 HA GLU 59 - HD2 ARG 66 far 0 31 0 - 6.8-10.5 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 6.8-8.2 HA ARG 26 - HD2 ARG 23 far 0 98 0 - 6.9-11.4 HA GLU 59 - HD3 ARG 66 far 0 33 0 - 6.9-9.7 HA ARG 26 - HD3 ARG 23 far 0 98 0 - 7.4-10.8 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 7.8-12.9 HA GLU 25 - HD2 ARG 23 far 0 78 0 - 8.3-10.8 HA ARG 71 - HD3 ARG 27 far 0 98 0 - 8.7-13.4 HA GLU 25 - HD3 ARG 23 far 0 78 0 - 8.7-11.1 HA GLU 25 - HD3 ARG 71 far 0 50 0 - 8.9-15.3 HA GLU 25 - HD3 ARG 17 far 0 72 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 72 0 - 9.2-17.0 HA ARG 71 - HD2 ARG 23 far 0 96 0 - 9.4-14.5 HA ARG 71 - HD3 ARG 23 far 0 96 0 - 9.7-15.0 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 9.8-13.4 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 3.52 A increased from 2.96 A): 11 out of 64 assignments used, quality = 1.00: HB3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.2-3.7 3.5=100 * HB2 ARG 26 + HD2 ARG 26 OK 95 100 95 100 2.2-4.2 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 70 100 70 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 63 67 95 100 2.0-4.1 3.5=98, 4.1/5382=14...(50) HB2 ARG 27 + HD3 ARG 27 OK 61 64 95 100 2.3-4.2 3.5=98, 4.1/5382=14...(50) HB3 ARG 27 + HD2 ARG 27 OK 57 67 85 100 2.4-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 27 + HD2 ARG 27 OK 55 64 85 100 2.2-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD3 ARG 66 OK 54 54 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 51 51 100 100 2.1-3.8 3.4=100 HB3 ARG 71 + HD3 ARG 71 OK 33 39 85 100 2.2-4.2 3.5=99, ~2937=28...(34) HB2 ARG 71 - HD3 ARG 71 poor 19 37 50 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 15 100 15 - 3.3-7.3 HB2 ARG 26 - HD2 ARG 27 far 5 100 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.2-9.8 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.5-9.7 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 4.9-14.0 HB2 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.3-9.0 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 5.3-15.7 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.5-10.6 HB3 PRO 14 - HD3 ARG 17 far 0 91 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 92 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 54 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 67 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.1-11.3 HB2 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 65 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 67 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 6.6-9.7 HB3 PRO 14 - HD2 ARG 17 far 0 91 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 6.8-11.8 HB3 ARG 26 - HD2 ARG 17 far 0 93 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 92 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 6.9-10.6 HB3 ARG 71 - HD2 ARG 23 far 0 64 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 64 0 - 7.3-12.6 HB3 PRO 14 - HD3 ARG 26 far 0 99 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 93 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 41 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 93 0 - 7.8-18.9 HB ILE 68 - HD3 ARG 66 far 0 43 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 64 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 61 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 64 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 93 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 61 0 - 8.5-24.0 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 9.3-12.4 HG12 ILE 40 - HD2 ARG 17 far 0 61 0 - 9.6-22.8 HG12 ILE 40 - HD3 ARG 71 far 0 41 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 30 0 - 9.6-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 3.52 A increased from 2.96 A): 11 out of 69 assignments used, quality = 1.00: * HB3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 95 100 95 100 2.2-4.2 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 70 100 70 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 61 64 95 100 2.0-4.1 3.5=98, 4.1/5382=14...(50) HB2 ARG 27 + HD3 ARG 27 OK 58 62 95 100 2.3-4.2 3.5=98, 4.1/5382=14...(50) HB3 ARG 27 + HD2 ARG 27 OK 55 64 85 100 2.4-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD3 ARG 66 OK 53 53 100 100 2.4-3.7 3.4=100 HB2 ARG 27 + HD2 ARG 27 OK 52 62 85 100 2.2-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD2 ARG 66 OK 51 51 100 100 2.1-3.8 3.4=100 HB3 ARG 71 + HD3 ARG 71 OK 32 37 85 100 2.2-4.2 3.5=99, ~2937=28...(34) HB2 ARG 71 - HD3 ARG 71 poor 18 36 50 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 15 100 15 - 3.3-7.3 HB2 ARG 26 - HD2 ARG 27 far 5 100 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 100 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 100 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.2-9.8 HB2 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.5-9.7 HB3 GLU 87 - HD2 ARG 84 far 0 36 0 - 4.9-14.0 HB2 ARG 27 - HD2 ARG 26 far 0 63 0 - 5.3-9.0 HB3 GLU 87 - HD3 ARG 84 far 0 39 0 - 5.3-15.7 HB3 ARG 26 - HD2 ARG 23 far 0 98 0 - 5.5-10.6 HB3 PRO 14 - HD3 ARG 17 far 0 92 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 91 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 98 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 56 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 62 0 - 5.9-10.5 HB2 GLU 19 - HD3 ARG 17 far 0 51 0 - 5.9-12.6 HB2 ARG 71 - HD3 ARG 27 far 0 62 0 - 6.1-11.3 HB2 ARG 27 - HD3 ARG 71 far 0 36 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 63 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 6.6-9.7 HB3 PRO 14 - HD2 ARG 17 far 0 92 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 59 0 - 6.8-11.8 HB3 ARG 26 - HD2 ARG 17 far 0 93 0 - 6.9-18.9 HB2 GLU 19 - HD2 ARG 17 far 0 51 0 - 6.9-13.2 HB3 PRO 34 - HD3 ARG 17 far 0 91 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 59 0 - 6.9-10.6 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.3-12.6 HB2 GLU 19 - HD3 ARG 26 far 0 60 0 - 7.6-16.0 HB3 PRO 14 - HD3 ARG 26 far 0 99 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 93 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 93 0 - 7.8-18.9 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 59 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 59 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 59 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 93 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 59 0 - 8.5-24.0 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 8.8-16.7 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 99 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 67 0 - 9.3-12.4 HG12 ILE 40 - HD2 ARG 17 far 0 63 0 - 9.6-22.8 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 31 0 - 9.6-12.4 HB2 GLU 19 - HD2 ARG 27 far 0 59 0 - 9.7-20.4 HB2 ARG 71 - HD2 ARG 66 far 0 26 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (1.62, 3.17, 43.10 ppm; 2.86 A): 15 out of 61 assignments used, quality = 1.00: HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=10...(21) * HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 92 96 100 95 2.6-3.0 3.0=91, 1439/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 92 96 100 95 2.3-3.0 3.0=91, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 91 96 100 95 2.2-3.0 3.0=91, 1439/5.4=7...(30) HG3 ARG 27 + HD3 ARG 27 OK 91 96 100 95 2.6-3.0 3.0=91, 5.0/5382=7...(28) HG2 ARG 17 + HD3 ARG 17 OK 89 93 100 96 2.3-3.0 3.0=89, 1167/3.6=16...(22) HG3 ARG 17 + HD3 ARG 17 OK 89 93 100 96 2.4-3.0 3.0=89, 1159/3.6=12...(22) HG2 ARG 17 + HD2 ARG 17 OK 89 93 100 96 2.4-3.0 3.0=89, 1167/3.6=16...(22) HG3 ARG 17 + HD2 ARG 17 OK 89 93 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 71 + HD3 ARG 71 OK 63 68 100 93 2.3-3.0 3.0=88, 2920/5.8=11...(15) HG3 ARG 84 + HD3 ARG 84 OK 37 37 100 99 2.4-3.0 2.9=97, 3402/3.5=12...(16) HG2 ARG 84 + HD3 ARG 84 OK 37 37 100 99 2.2-3.0 2.9=97, 3394/3.5=12...(16) HG3 ARG 84 + HD2 ARG 84 OK 33 34 100 99 2.2-3.0 2.9=97, 3402/3.5=12...(16) HG2 ARG 84 + HD2 ARG 84 OK 33 34 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(16) HG2 ARG 26 - HD3 ARG 27 far 5 100 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 98 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 100 0 - 3.7-9.6 HG LEU 86 - HD2 ARG 84 far 0 42 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 100 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 46 0 - 4.3-12.2 HG3 ARG 70 - HD3 ARG 71 far 0 64 0 - 4.3-9.9 HG2 ARG 84 - HD2 ARG 82 far 0 33 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 98 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 4.8-18.2 HG3 ARG 27 - HD3 ARG 71 far 0 62 0 - 4.9-12.5 HG2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 100 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 97 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 33 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 87 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 94 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 93 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 87 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 94 0 - 6.0-10.1 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 93 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 48 0 - 6.1-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 63 0 - 6.2-12.4 HG3 ARG 70 - HD3 ARG 66 far 0 51 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 89 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 97 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 89 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 34 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 36 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 98 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 8.6-17.9 HD3 LYS 73 - HD3 ARG 71 far 0 62 0 - 8.7-13.6 HD2 LYS 73 - HD2 ARG 66 far 0 47 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 98 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 42 0 - 9.3-19.3 HD3 LYS 73 - HD2 ARG 66 far 0 47 0 - 9.8-17.1 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 52 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (1.75, 3.17, 43.10 ppm; 3.07 A): 8 out of 44 assignments used, quality = 1.00: * HG3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 48 92 55 94 2.1-4.2 3.6=63, 1167/3.0=24...(23) HB3 ARG 17 + HD3 ARG 17 OK 44 92 50 95 2.2-3.8 3.6=63, 1167/3.0=24...(23) HB2 ARG 84 + HD3 ARG 84 OK 29 48 65 92 2.1-4.2 3.5=67, 3379/2.9=15...(20) HB3 ARG 82 + HD2 ARG 82 OK 27 51 65 82 2.4-4.1 3.6=59, 5479/3.0=45...(4) HB2 ARG 84 + HD2 ARG 84 OK 24 44 60 92 2.3-3.8 3.5=67, 3379/2.9=15...(20) HG3 ARG 26 - HD3 ARG 27 far 0 100 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 98 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 98 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 41 0 - 4.5-9.3 HB3 LYS 32 - HD3 ARG 17 far 0 61 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 61 0 - 4.9-21.8 HB3 ARG 82 - HD2 ARG 84 far 0 52 0 - 5.1-12.1 HB2 LEU 62 - HD2 ARG 66 far 0 52 0 - 5.2-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 100 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 37 0 - 5.2-10.1 HB ILE 33 - HD3 ARG 17 far 0 72 0 - 5.3-19.6 HB2 LEU 62 - HD3 ARG 66 far 0 54 0 - 5.4-8.1 HB3 ARG 82 - HD3 ARG 84 far 0 57 0 - 5.4-12.4 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.6-11.1 HB ILE 33 - HD2 ARG 17 far 0 72 0 - 5.9-18.0 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 37 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 93 0 - 6.1-17.7 HB2 LYS 32 - HD3 ARG 17 far 0 61 0 - 6.2-23.0 HB2 LYS 32 - HD2 ARG 17 far 0 61 0 - 6.5-22.6 HG3 ARG 26 - HD3 ARG 17 far 0 93 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 43 0 - 7.1-12.3 HG2 PRO 34 - HD2 ARG 17 far 0 87 0 - 7.7-21.4 HG3 ARG 71 - HD2 ARG 23 far 0 98 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 7.8-17.3 HB3 LYS 73 - HD3 ARG 71 far 0 34 0 - 7.8-10.6 HG2 PRO 34 - HD3 ARG 17 far 0 87 0 - 8.3-23.1 HG3 ARG 71 - HD3 ARG 23 far 0 98 0 - 8.5-14.7 HB2 LEU 57 - HD2 ARG 66 far 0 39 0 - 8.7-10.8 HB2 LEU 57 - HD3 ARG 66 far 0 41 0 - 8.9-10.5 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.2-17.6 HG3 ARG 71 - HD2 ARG 66 far 0 51 0 - 9.4-14.3 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 9.5-11.9 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 9.6-11.6 HB2 LEU 43 - HD2 ARG 66 far 0 31 0 - 9.8-13.5 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1404 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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 30 assignments used, quality = 1.00: * HA ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.4-4.8 4.8=100 HA ARG 26 + HD2 ARG 26 OK 90 100 90 100 2.4-5.4 4.8=100 HA ARG 71 + HD3 ARG 71 OK 68 68 100 100 2.2-5.0 4.7=100 HA ALA 63 + HD2 ARG 66 OK 41 51 80 100 2.7-6.1 4684/3.4=73, 5370/3.0=69...(9) HA ALA 63 + HD3 ARG 66 OK 40 53 75 100 2.7-6.4 4684/3.4=73, 5370/3.0=69...(9) HA ARG 26 - HD2 ARG 27 far 5 99 5 - 5.1-8.3 HA ARG 71 - HD3 ARG 70 far 4 28 15 - 4.1-7.9 HA ARG 26 - HD3 ARG 27 far 0 99 0 - 5.2-8.8 HA GLU 25 - HD2 ARG 27 far 0 81 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 81 0 - 6.3-8.5 HA ARG 26 - HD2 ARG 17 far 0 92 0 - 6.4-17.1 HA ARG 26 - HD3 ARG 17 far 0 92 0 - 6.7-18.1 HA GLU 25 - HD2 ARG 26 far 0 83 0 - 6.7-8.2 HA GLU 59 - HD2 ARG 66 far 0 32 0 - 6.8-10.5 HA GLU 25 - HD3 ARG 26 far 0 83 0 - 6.8-8.2 HA ARG 26 - HD2 ARG 23 far 0 97 0 - 6.9-11.4 HA GLU 59 - HD3 ARG 66 far 0 34 0 - 6.9-9.7 HA ARG 26 - HD3 ARG 23 far 0 97 0 - 7.4-10.8 HA ARG 71 - HD2 ARG 27 far 0 98 0 - 7.8-12.9 HA ALA 63 - HD3 ARG 70 far 0 28 0 - 7.9-12.5 HA GLU 25 - HD2 ARG 23 far 0 77 0 - 8.3-10.8 HA ARG 71 - HD3 ARG 27 far 0 98 0 - 8.7-13.4 HA GLU 25 - HD3 ARG 23 far 0 77 0 - 8.7-11.1 HA GLU 25 - HD3 ARG 71 far 0 52 0 - 8.9-15.3 HA GLU 25 - HD3 ARG 17 far 0 71 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 71 0 - 9.2-17.0 HA ARG 71 - HD2 ARG 23 far 0 95 0 - 9.4-14.5 HA ARG 71 - HD3 ARG 23 far 0 95 0 - 9.7-15.0 HA ALA 63 - HD2 ARG 27 far 0 98 0 - 9.8-13.4 HA ALA 63 - HD3 ARG 27 far 0 98 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 3.52 A increased from 2.96 A): 11 out of 66 assignments used, quality = 1.00: HB3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.2-3.7 3.5=100 HB3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 95 100 95 100 2.2-4.2 3.5=100 * HB2 ARG 26 + HD3 ARG 26 OK 70 100 70 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 63 66 95 100 2.0-4.1 3.5=98, 4.1/5382=14...(50) HB2 ARG 27 + HD3 ARG 27 OK 60 64 95 100 2.3-4.2 3.5=98, 4.1/5382=14...(50) HB3 ARG 27 + HD2 ARG 27 OK 56 66 85 100 2.4-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD3 ARG 66 OK 55 55 100 100 2.4-3.7 3.4=100 HB2 ARG 27 + HD2 ARG 27 OK 54 64 85 100 2.2-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD2 ARG 66 OK 52 52 100 100 2.1-3.8 3.4=100 HB3 ARG 71 + HD3 ARG 71 OK 35 41 85 100 2.2-4.2 3.5=99, ~2937=28...(34) HB2 ARG 71 - HD3 ARG 71 poor 20 39 50 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 15 99 15 - 3.3-7.3 HB2 ARG 26 - HD2 ARG 27 far 5 99 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.2-9.8 HB2 ARG 66 - HD3 ARG 70 far 0 29 0 - 4.2-8.3 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.5-9.7 HB3 GLU 87 - HD2 ARG 84 far 0 32 0 - 4.9-14.0 HB2 ARG 27 - HD2 ARG 26 far 0 65 0 - 5.3-9.0 HB3 GLU 87 - HD3 ARG 84 far 0 36 0 - 5.3-15.7 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.5-10.6 HB3 PRO 14 - HD3 ARG 17 far 0 89 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 90 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 57 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 66 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.1-11.3 HB2 ARG 27 - HD3 ARG 71 far 0 39 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 41 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 65 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 66 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 87 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 87 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 6.6-9.7 HB3 PRO 14 - HD2 ARG 17 far 0 89 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 61 0 - 6.8-11.8 HB3 ARG 26 - HD2 ARG 17 far 0 92 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 90 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 61 0 - 6.9-10.6 HB3 ARG 71 - HD2 ARG 23 far 0 63 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 63 0 - 7.3-12.6 HB ILE 68 - HD3 ARG 70 far 0 22 0 - 7.5-10.9 HB3 PRO 14 - HD3 ARG 26 far 0 99 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 68 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 92 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 42 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 92 0 - 7.8-18.9 HB ILE 68 - HD3 ARG 66 far 0 44 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 61 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 63 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 60 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 63 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 61 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 92 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 60 0 - 8.5-24.0 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 9.3-12.4 HG12 ILE 40 - HD2 ARG 17 far 0 60 0 - 9.6-22.8 HG12 ILE 40 - HD3 ARG 71 far 0 43 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 31 0 - 9.6-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 28 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.88, 3.17, 43.10 ppm; 3.52 A increased from 2.96 A): 11 out of 71 assignments used, quality = 1.00: * HB3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.2-3.7 3.5=100 HB3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 95 100 95 100 2.2-4.2 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 70 100 70 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 60 64 95 100 2.0-4.1 3.5=98, 4.1/5382=14...(50) HB2 ARG 27 + HD3 ARG 27 OK 58 61 95 100 2.3-4.2 3.5=98, 4.1/5382=14...(50) HB2 ARG 66 + HD3 ARG 66 OK 54 54 100 100 2.4-3.7 3.4=100 HB3 ARG 27 + HD2 ARG 27 OK 54 64 85 100 2.4-4.2 3.5=98, 4.1/5382=13...(50) HB2 ARG 66 + HD2 ARG 66 OK 52 52 100 100 2.1-3.8 3.4=100 HB2 ARG 27 + HD2 ARG 27 OK 52 61 85 100 2.2-4.2 3.5=98, 4.1/5382=13...(50) HB3 ARG 71 + HD3 ARG 71 OK 33 39 85 100 2.2-4.2 3.5=99, ~2937=28...(34) HB2 ARG 71 - HD3 ARG 71 poor 19 37 50 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 15 99 15 - 3.3-7.3 HB2 ARG 26 - HD2 ARG 27 far 5 99 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 99 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 99 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.2-9.8 HB2 ARG 66 - HD3 ARG 70 far 0 28 0 - 4.2-8.3 HB2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.5-9.7 HB3 GLU 87 - HD2 ARG 84 far 0 34 0 - 4.9-14.0 HB2 ARG 27 - HD2 ARG 26 far 0 63 0 - 5.3-9.0 HB3 GLU 87 - HD3 ARG 84 far 0 37 0 - 5.3-15.7 HB3 ARG 26 - HD2 ARG 23 far 0 97 0 - 5.5-10.6 HB3 PRO 14 - HD3 ARG 17 far 0 90 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 89 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 97 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 58 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 64 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 61 0 - 5.9-10.5 HB2 GLU 19 - HD3 ARG 17 far 0 50 0 - 5.9-12.6 HB2 ARG 71 - HD3 ARG 27 far 0 61 0 - 6.1-11.3 HB2 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 39 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 63 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 64 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 89 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 89 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 65 0 - 6.6-9.7 HB3 PRO 14 - HD2 ARG 17 far 0 90 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 58 0 - 6.8-11.8 HB3 ARG 26 - HD2 ARG 17 far 0 92 0 - 6.9-18.9 HB2 GLU 19 - HD2 ARG 17 far 0 50 0 - 6.9-13.2 HB3 PRO 34 - HD3 ARG 17 far 0 89 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 58 0 - 6.9-10.6 HB3 ARG 71 - HD2 ARG 23 far 0 61 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 61 0 - 7.3-12.6 HB ILE 68 - HD3 ARG 70 far 0 23 0 - 7.5-10.9 HB2 GLU 19 - HD3 ARG 26 far 0 60 0 - 7.6-16.0 HB3 PRO 14 - HD3 ARG 26 far 0 99 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 65 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 92 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 43 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 92 0 - 7.8-18.9 HB ILE 68 - HD3 ARG 66 far 0 45 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 58 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 61 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 57 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 61 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 58 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 92 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 57 0 - 8.5-24.0 HB2 GLU 19 - HD2 ARG 26 far 0 60 0 - 8.8-16.7 HB3 PRO 14 - HD2 ARG 26 far 0 99 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 98 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 71 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 70 0 - 9.3-12.4 HG12 ILE 40 - HD2 ARG 17 far 0 62 0 - 9.6-22.8 HG12 ILE 40 - HD3 ARG 71 far 0 45 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 32 0 - 9.6-12.4 HB2 GLU 19 - HD2 ARG 27 far 0 58 0 - 9.7-20.4 HB2 ARG 71 - HD2 ARG 66 far 0 27 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (1.62, 3.17, 43.10 ppm; 2.86 A): 16 out of 67 assignments used, quality = 1.00: * HG2 ARG 26 + HD3 ARG 26 OK 96 100 100 96 2.3-3.0 3.0=92, 529/6.1=10...(21) HG2 ARG 26 + HD2 ARG 26 OK 96 100 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 27 + HD2 ARG 27 OK 91 96 100 95 2.6-3.0 3.0=91, 1439/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 91 96 100 95 2.3-3.0 3.0=91, 1439/5.4=7...(28) HG3 ARG 27 + HD2 ARG 27 OK 90 95 100 95 2.2-3.0 3.0=91, 1439/5.4=7...(30) HG3 ARG 27 + HD3 ARG 27 OK 90 95 100 95 2.6-3.0 3.0=91, 5.0/5382=7...(28) HG2 ARG 17 + HD3 ARG 17 OK 88 91 100 96 2.3-3.0 3.0=89, 1167/3.6=16...(22) HG3 ARG 17 + HD3 ARG 17 OK 88 92 100 96 2.4-3.0 3.0=89, 1159/3.6=12...(22) HG2 ARG 17 + HD2 ARG 17 OK 88 91 100 96 2.4-3.0 3.0=89, 1167/3.6=16...(22) HG3 ARG 17 + HD2 ARG 17 OK 88 92 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 71 + HD3 ARG 71 OK 66 71 100 93 2.3-3.0 3.0=88, 2920/5.8=11...(15) HG3 ARG 84 + HD3 ARG 84 OK 35 36 100 99 2.4-3.0 2.9=97, 3402/3.5=12...(16) HG2 ARG 84 + HD3 ARG 84 OK 35 36 100 99 2.2-3.0 2.9=97, 3394/3.5=12...(16) HG3 ARG 84 + HD2 ARG 84 OK 32 32 100 99 2.2-3.0 2.9=97, 3402/3.5=12...(16) HG2 ARG 84 + HD2 ARG 84 OK 32 32 100 99 2.4-3.0 2.9=97, 3394/3.5=12...(16) HG3 ARG 70 + HD3 ARG 70 OK 25 27 100 94 2.4-3.0 3.0=92, 2873/5.3=14...(4) HG2 ARG 26 - HD3 ARG 27 far 5 99 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 99 0 - 3.7-9.6 HG LEU 86 - HD2 ARG 84 far 0 40 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 99 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 44 0 - 4.3-12.2 HG3 ARG 70 - HD3 ARG 71 far 0 67 0 - 4.3-9.9 HG2 ARG 84 - HD2 ARG 82 far 0 32 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 60 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 92 0 - 4.8-18.2 HG2 ARG 71 - HD3 ARG 70 far 0 29 0 - 4.8-8.7 HG3 ARG 27 - HD3 ARG 71 far 0 65 0 - 4.9-12.5 HG2 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 99 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 97 0 - 5.3-10.2 HG3 ARG 84 - HD2 ARG 82 far 0 32 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 92 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 86 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 93 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 97 0 - 5.7-8.9 HD2 LYS 73 - HD3 ARG 70 far 0 26 0 - 5.8-11.4 HG3 ARG 27 - HD2 ARG 23 far 0 92 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 86 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 93 0 - 6.0-10.1 HD3 LYS 73 - HD3 ARG 70 far 0 26 0 - 6.1-12.2 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 92 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 50 0 - 6.1-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 66 0 - 6.2-12.4 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 88 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 100 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 97 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 88 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 100 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 100 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 35 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 37 0 - 7.9-11.0 HG2 ARG 71 - HD2 ARG 23 far 0 97 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 100 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 59 0 - 8.6-17.9 HD3 LYS 73 - HD3 ARG 71 far 0 65 0 - 8.7-13.6 HD2 LYS 73 - HD2 ARG 66 far 0 48 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 97 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 40 0 - 9.3-19.3 HD3 LYS 73 - HD2 ARG 66 far 0 48 0 - 9.8-17.1 HG3 ARG 27 - HD3 ARG 70 far 0 26 0 - 9.8-15.9 HG2 ARG 27 - HD3 ARG 70 far 0 27 0 - 9.9-16.1 HG2 ARG 71 - HD3 ARG 66 far 0 55 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 53 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1411 from cnoeabs.peaks (1.75, 3.17, 43.10 ppm; 3.07 A): 8 out of 45 assignments used, quality = 1.00: * HG3 ARG 26 + HD3 ARG 26 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 26 + HD2 ARG 26 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 71 + HD3 ARG 71 OK 70 70 100 100 2.2-3.0 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 47 91 55 94 2.1-4.2 3.6=63, 1167/3.0=24...(23) HB3 ARG 17 + HD3 ARG 17 OK 43 91 50 95 2.2-3.8 3.6=63, 1167/3.0=24...(23) HB2 ARG 84 + HD3 ARG 84 OK 27 46 65 92 2.1-4.2 3.5=67, 3379/2.9=15...(20) HB3 ARG 82 + HD2 ARG 82 OK 26 49 65 82 2.4-4.1 3.6=59, 5479/3.0=45...(4) HB2 ARG 84 + HD2 ARG 84 OK 23 42 60 92 2.3-3.8 3.5=67, 3379/2.9=15...(20) HG3 ARG 26 - HD3 ARG 27 far 0 99 0 - 3.8-9.2 HG3 ARG 71 - HD3 ARG 70 far 0 29 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 97 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 97 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 39 0 - 4.5-9.3 HB3 LYS 32 - HD3 ARG 17 far 0 60 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 60 0 - 4.9-21.8 HB3 ARG 82 - HD2 ARG 84 far 0 50 0 - 5.1-12.1 HB2 LEU 62 - HD2 ARG 66 far 0 53 0 - 5.2-9.0 HG3 ARG 26 - HD2 ARG 27 far 0 99 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 36 0 - 5.2-10.1 HB ILE 33 - HD3 ARG 17 far 0 71 0 - 5.3-19.6 HB2 LEU 62 - HD3 ARG 66 far 0 55 0 - 5.4-8.1 HB3 ARG 82 - HD3 ARG 84 far 0 54 0 - 5.4-12.4 HG3 ARG 71 - HD2 ARG 27 far 0 99 0 - 5.6-11.1 HB ILE 33 - HD2 ARG 17 far 0 71 0 - 5.9-18.0 HG3 ARG 71 - HD3 ARG 27 far 0 99 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 35 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 92 0 - 6.1-17.7 HB2 LYS 32 - HD3 ARG 17 far 0 60 0 - 6.2-23.0 HB2 LYS 32 - HD2 ARG 17 far 0 60 0 - 6.5-22.6 HG3 ARG 26 - HD3 ARG 17 far 0 92 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 41 0 - 7.1-12.3 HG2 PRO 34 - HD2 ARG 17 far 0 86 0 - 7.7-21.4 HG3 ARG 71 - HD2 ARG 23 far 0 97 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 100 0 - 7.8-17.3 HB3 LYS 73 - HD3 ARG 71 far 0 35 0 - 7.8-10.6 HG2 PRO 34 - HD3 ARG 17 far 0 86 0 - 8.3-23.1 HG3 ARG 71 - HD3 ARG 23 far 0 97 0 - 8.5-14.7 HB2 LEU 57 - HD2 ARG 66 far 0 40 0 - 8.7-10.8 HB2 LEU 57 - HD3 ARG 66 far 0 42 0 - 8.9-10.5 HB3 ARG 17 - HD2 ARG 26 far 0 100 0 - 9.2-17.6 HG3 ARG 71 - HD2 ARG 66 far 0 53 0 - 9.4-14.3 HB ILE 33 - HD3 ARG 27 far 0 81 0 - 9.5-11.9 HB ILE 33 - HD2 ARG 27 far 0 81 0 - 9.6-11.6 HB2 LEU 43 - HD2 ARG 66 far 0 32 0 - 9.8-13.5 HG3 ARG 71 - HD3 ARG 66 far 0 55 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1412 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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 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 Peak 1414 from cnoeabs.peaks (8.18, 4.12, 58.29 ppm; 3.38 A): 2 out of 8 assignments used, quality = 1.00: * H ARG 27 + HA ARG 27 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 25 + HA GLU 25 OK 36 36 100 100 2.8-2.8 2.9=100 H ARG 27 - HA GLU 25 far 0 56 0 - 3.9-4.2 H GLU 25 - HA ARG 23 far 0 49 0 - 3.9-4.5 H ARG 27 - HA ARG 23 far 0 74 0 - 4.4-6.1 H GLU 25 - HA ARG 27 far 0 76 0 - 6.6-7.1 H THR 15 - HA GLU 25 far 0 31 0 - 8.8-23.4 H THR 15 - HA ARG 27 far 0 68 0 - 9.4-26.8 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (4.12, 4.12, 58.29 ppm; diagonal): 3 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 25 assignments used, quality = 1.00: HB3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.4-2.9 3.0=91, 2.9/1439=19...(26) * HB2 ARG 27 + HA ARG 27 OK 98 100 100 98 2.8-3.0 3.0=91, 535/3.0=30...(22) HB3 ARG 23 + HA ARG 23 OK 69 73 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(7) HB2 ARG 23 + HA ARG 23 OK 69 73 100 95 2.5-3.0 3.0=89, 3.0/1285=31...(7) HB2 ARG 26 - HA ARG 23 far 2 41 5 - 3.0-5.7 HB2 ARG 26 - HA ARG 27 far 0 65 0 - 4.2-4.6 HB3 ARG 26 - HA ARG 27 far 0 63 0 - 4.4-5.7 HB3 ARG 26 - HA ARG 23 far 0 40 0 - 4.6-6.2 HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.7-5.3 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 5.1-8.0 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 5.4-6.6 HB2 ARG 26 - HA GLU 25 far 0 30 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 28 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 6.7-9.3 HB3 ARG 23 - HA ARG 27 far 0 100 0 - 6.8-9.0 HB2 ARG 17 - HA GLU 25 far 0 48 0 - 7.3-15.8 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.4 HB3 ARG 23 - HA GLU 25 far 0 55 0 - 7.3-8.3 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 7.6-9.9 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 56 0 - 9.1-11.6 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 9.6-13.1 HB2 ARG 17 - HA ARG 27 far 0 95 0 - 9.6-19.8 HB2 ARG 71 - HA ARG 27 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (1.85, 4.12, 58.29 ppm; 2.88 A): 4 out of 25 assignments used, quality = 1.00: * HB3 ARG 27 + HA ARG 27 OK 99 100 100 99 2.4-2.9 3.0=91, 2.9/1439=19...(26) HB2 ARG 27 + HA ARG 27 OK 98 100 100 98 2.8-3.0 3.0=91, 535/3.0=30...(22) HB3 ARG 23 + HA ARG 23 OK 69 73 100 95 2.4-3.0 3.0=89, 3.0/1285=31...(7) HB2 ARG 23 + HA ARG 23 OK 68 72 100 95 2.5-3.0 3.0=89, 3.0/1285=31...(7) HB2 ARG 26 - HA ARG 23 far 2 43 5 - 3.0-5.7 HB2 ARG 26 - HA ARG 27 far 0 68 0 - 4.2-4.6 HB3 ARG 26 - HA ARG 27 far 0 65 0 - 4.4-5.7 HB3 ARG 26 - HA ARG 23 far 0 41 0 - 4.6-6.2 HB2 ARG 27 - HA GLU 25 far 0 56 0 - 4.7-5.3 HB2 ARG 27 - HA ARG 23 far 0 74 0 - 5.1-8.0 HB3 ARG 27 - HA GLU 25 far 0 56 0 - 5.4-6.6 HB2 ARG 26 - HA GLU 25 far 0 31 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 30 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 23 far 0 74 0 - 6.7-9.3 HB3 ARG 23 - HA ARG 27 far 0 99 0 - 6.8-9.0 HB2 ARG 17 - HA GLU 25 far 0 47 0 - 7.3-15.8 HB2 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.4 HB3 ARG 23 - HA GLU 25 far 0 54 0 - 7.3-8.3 HB2 ARG 23 - HA ARG 27 far 0 99 0 - 7.6-9.9 HB3 ARG 71 - HA GLU 25 far 0 56 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 56 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 56 0 - 9.1-11.6 HB3 ARG 71 - HA ARG 23 far 0 74 0 - 9.6-13.1 HB2 ARG 17 - HA ARG 27 far 0 93 0 - 9.6-19.8 HB2 ARG 71 - HA ARG 27 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.62 A increased from 3.41 A): 2 out of 15 assignments used, quality = 1.00: * HG2 ARG 27 + HA ARG 27 OK 100 100 100 100 2.2-3.6 3.8=89, 1.8/1447=37...(44) HG3 ARG 27 + HA ARG 27 OK 100 100 100 100 2.1-3.8 3.8=89, 1.8/1439=39...(44) HG2 ARG 26 - HA ARG 23 far 10 69 15 - 3.4-5.9 HG2 ARG 26 - HA ARG 27 far 10 97 10 - 3.4-6.6 HG2 ARG 27 - HA ARG 23 far 0 74 0 - 4.5-8.7 HG3 ARG 27 - HA ARG 23 far 0 74 0 - 4.6-8.3 HG3 ARG 27 - HA GLU 25 far 0 56 0 - 5.0-7.7 HG2 ARG 27 - HA GLU 25 far 0 56 0 - 5.0-7.8 HG2 ARG 26 - HA GLU 25 far 0 51 0 - 5.3-7.0 HG3 ARG 17 - HA GLU 25 far 0 50 0 - 8.3-17.2 HG2 ARG 71 - HA ARG 27 far 0 96 0 - 8.9-12.6 HG2 ARG 71 - HA ARG 23 far 0 67 0 - 9.1-12.9 HG2 ARG 71 - HA GLU 25 far 0 50 0 - 9.1-13.6 HB3 GLN 61 - HA ARG 27 far 0 63 0 - 9.5-10.3 HG2 ARG 17 - HA GLU 25 far 0 48 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (1.63, 4.12, 58.29 ppm; 3.62 A increased from 3.41 A): 2 out of 15 assignments used, quality = 1.00: HG2 ARG 27 + HA ARG 27 OK 100 100 100 100 2.2-3.6 3.8=89, 1.8/1447=37...(44) * HG3 ARG 27 + HA ARG 27 OK 100 100 100 100 2.1-3.8 3.8=89, 1.8/1439=39...(44) HG2 ARG 26 - HA ARG 23 far 10 68 15 - 3.4-5.9 HG2 ARG 26 - HA ARG 27 far 10 97 10 - 3.4-6.6 HG2 ARG 27 - HA ARG 23 far 0 74 0 - 4.5-8.7 HG3 ARG 27 - HA ARG 23 far 0 74 0 - 4.6-8.3 HG3 ARG 27 - HA GLU 25 far 0 56 0 - 5.0-7.7 HG2 ARG 27 - HA GLU 25 far 0 56 0 - 5.0-7.8 HG2 ARG 26 - HA GLU 25 far 0 50 0 - 5.3-7.0 HG3 ARG 17 - HA GLU 25 far 0 48 0 - 8.3-17.2 HG2 ARG 71 - HA ARG 27 far 0 95 0 - 8.9-12.6 HG2 ARG 71 - HA ARG 23 far 0 66 0 - 9.1-12.9 HG2 ARG 71 - HA GLU 25 far 0 48 0 - 9.1-13.6 HB3 GLN 61 - HA ARG 27 far 0 65 0 - 9.5-10.3 HG2 ARG 17 - HA GLU 25 far 0 47 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 4.47 A increased from 3.98 A): 4 out of 25 assignments used, quality = 1.00: HD3 ARG 27 + HA ARG 27 OK 100 100 100 100 2.0-4.6 5.4=58, 3.0/1439=41...(37) * HD2 ARG 27 + HA ARG 27 OK 85 100 85 100 2.1-4.9 5.4=58, 3.0/1439=41...(37) HD3 ARG 23 + HA ARG 23 OK 68 74 95 97 2.3-4.8 2.9/1285=73, 5.2=63...(14) HD2 ARG 23 + HA ARG 23 OK 65 74 90 97 2.0-5.5 2.9/1285=73, 5.2=63...(15) HD2 ARG 26 - HA ARG 23 poor 17 73 60 39 3.3-6.5 6.1/5345=28, 3.5/5344=8, 1301=7 HD3 ARG 26 - HA ARG 23 poor 15 73 20 - 4.4-6.9 HD3 ARG 27 - HA ARG 23 far 7 74 10 - 4.5-9.3 HD2 ARG 26 - HA ARG 27 far 5 100 5 - 4.7-7.9 HD2 ARG 27 - HA ARG 23 far 4 74 5 - 4.6-8.3 HD3 ARG 26 - HA ARG 27 far 0 99 0 - 5.6-8.0 HD2 ARG 27 - HA GLU 25 far 0 56 0 - 5.9-8.8 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.3-8.5 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 6.7-8.2 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 6.8-8.2 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 7.5-11.7 HD2 ARG 23 - HA ARG 27 far 0 100 0 - 7.7-12.6 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 8.3-10.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 8.7-13.6 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 8.7-14.1 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 8.7-11.1 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 8.8-14.6 HD2 ARG 17 - HA ARG 23 far 0 70 0 - 8.9-19.7 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 9.0-18.3 HD2 ARG 17 - HA GLU 25 far 0 52 0 - 9.2-17.0 HD3 ARG 17 - HA ARG 23 far 0 70 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (3.17, 4.12, 58.29 ppm; 4.47 A increased from 3.98 A): 4 out of 25 assignments used, quality = 1.00: * HD3 ARG 27 + HA ARG 27 OK 100 100 100 100 2.0-4.6 5.4=58, 3.0/1439=41...(37) HD2 ARG 27 + HA ARG 27 OK 85 100 85 100 2.1-4.9 5.4=58, 3.0/1439=41...(37) HD3 ARG 23 + HA ARG 23 OK 68 74 95 97 2.3-4.8 2.9/1285=73, 5.2=63...(14) HD2 ARG 23 + HA ARG 23 OK 65 74 90 97 2.0-5.5 2.9/1285=73, 5.2=63...(15) HD2 ARG 26 - HA ARG 23 poor 17 73 60 39 3.3-6.5 6.1/5345=28, 3.5/5344=8, 1301=7 HD3 ARG 26 - HA ARG 23 poor 15 73 20 - 4.4-6.9 HD3 ARG 27 - HA ARG 23 far 7 74 10 - 4.5-9.3 HD2 ARG 26 - HA ARG 27 far 5 100 5 - 4.7-7.9 HD2 ARG 27 - HA ARG 23 far 4 74 5 - 4.6-8.3 HD3 ARG 26 - HA ARG 27 far 0 99 0 - 5.6-8.0 HD2 ARG 27 - HA GLU 25 far 0 56 0 - 5.9-8.8 HD3 ARG 27 - HA GLU 25 far 0 56 0 - 6.3-8.5 HD2 ARG 26 - HA GLU 25 far 0 55 0 - 6.7-8.2 HD3 ARG 26 - HA GLU 25 far 0 54 0 - 6.8-8.2 HD3 ARG 23 - HA ARG 27 far 0 100 0 - 7.5-11.7 HD2 ARG 23 - HA ARG 27 far 0 100 0 - 7.7-12.6 HD2 ARG 23 - HA GLU 25 far 0 55 0 - 8.3-10.8 HD2 ARG 71 - HA ARG 27 far 0 60 0 - 8.7-13.6 HD2 ARG 71 - HA ARG 23 far 0 38 0 - 8.7-14.1 HD3 ARG 23 - HA GLU 25 far 0 55 0 - 8.7-11.1 HD2 ARG 71 - HA GLU 25 far 0 27 0 - 8.8-14.6 HD2 ARG 17 - HA ARG 23 far 0 70 0 - 8.9-19.7 HD3 ARG 17 - HA GLU 25 far 0 52 0 - 9.0-18.3 HD2 ARG 17 - HA GLU 25 far 0 52 0 - 9.2-17.0 HD3 ARG 17 - HA ARG 23 far 0 70 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1422 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.51 A): 3 out of 22 assignments used, quality = 1.00: H ARG 27 + HB3 ARG 27 OK 98 100 100 98 3.1-3.6 4.1=64, 535/1.8=58...(19) * H ARG 27 + HB2 ARG 27 OK 98 100 100 98 2.1-2.7 535=69, 5383/4157=28...(19) H ARG 27 + HB2 ARG 26 OK 40 54 90 83 2.7-4.0 5380/3.9=46, 4.6=44...(5) H ARG 27 - HB3 ARG 26 poor 13 52 25 - 3.8-4.1 H GLU 25 - HB2 ARG 27 far 0 76 0 - 4.5-5.7 H GLU 25 - HB2 ARG 23 far 0 56 0 - 4.6-5.6 H GLU 25 - HB3 ARG 23 far 0 56 0 - 4.7-5.7 H GLU 25 - HB2 ARG 26 far 0 34 0 - 4.7-6.5 H ASN 74 - HB3 ARG 71 far 0 68 0 - 5.3-6.1 H GLU 25 - HB3 ARG 26 far 0 33 0 - 5.3-6.5 H ARG 27 - HB3 ARG 23 far 0 83 0 - 5.4-7.1 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.5-6.2 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.6-7.2 H ARG 27 - HB2 ARG 23 far 0 83 0 - 5.9-7.7 H THR 15 - HB3 PRO 34 far 0 26 0 - 7.4-24.2 H LEU 57 - HB3 PRO 34 far 0 24 0 - 8.0-8.6 H GLU 25 - HB3 ARG 71 far 0 76 0 - 8.1-11.9 H THR 15 - HB3 ARG 26 far 0 29 0 - 8.3-27.7 H GLU 25 - HB2 ARG 71 far 0 76 0 - 8.4-11.2 H ARG 27 - HB2 ARG 71 far 0 100 0 - 8.8-11.7 H ARG 27 - HB3 ARG 71 far 0 100 0 - 8.9-12.0 H THR 15 - HB2 ARG 26 far 0 30 0 - 9.8-26.7 Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.14 A): 4 out of 27 assignments used, quality = 1.00: HA ARG 27 + HB3 ARG 27 OK 100 100 100 100 2.4-2.9 3.0=100 * HA ARG 27 + HB2 ARG 27 OK 100 100 100 100 2.8-3.0 3.0=100 HA ARG 23 + HB3 ARG 23 OK 77 77 100 100 2.4-3.0 3.0=100 HA ARG 23 + HB2 ARG 23 OK 76 76 100 100 2.5-3.0 3.0=100 HA ARG 23 - HB2 ARG 26 far 5 49 10 - 3.0-5.7 HA ARG 27 - HB2 ARG 26 far 0 54 0 - 4.2-4.6 HA ARG 27 - HB3 ARG 26 far 0 52 0 - 4.4-5.7 HA ARG 23 - HB3 ARG 26 far 0 47 0 - 4.6-6.2 HA GLU 25 - HB2 ARG 27 far 0 65 0 - 4.7-5.3 HA ARG 23 - HB2 ARG 27 far 0 97 0 - 5.1-8.0 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 5.4-6.6 HA GLU 25 - HB2 ARG 26 far 0 29 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 27 0 - 5.9-6.6 HA ALA 30 - HB3 ARG 26 far 0 37 0 - 5.9-7.5 HA ALA 30 - HB2 ARG 26 far 0 38 0 - 5.9-7.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 6.7-9.3 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.8-9.0 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.3-8.4 HA GLU 25 - HB3 ARG 23 far 0 48 0 - 7.3-8.3 HA ARG 27 - HB2 ARG 23 far 0 83 0 - 7.6-9.9 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.7-8.0 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 8.0-8.3 HA ASN 49 - HB2 ARG 66 far 0 37 0 - 8.2-9.3 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 9.0-12.5 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 9.6-13.1 HA ARG 27 - HB2 ARG 71 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 10 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): 10 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): 8 out of 49 assignments used, quality = 1.00: * HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1439/3.0=18...(48) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=17...(48) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=17...(44) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1439/3.0=18...(44) HG2 ARG 71 + HB2 ARG 71 OK 95 95 100 100 2.3-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 95 95 100 100 2.4-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 48 50 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 26 + HB3 ARG 26 OK 46 48 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 54 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 85 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 54 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 85 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 43 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 75 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.2-10.2 HG3 ARG 17 - HB3 PRO 34 far 0 41 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 40 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 76 0 - 7.4-10.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 52 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 46 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 8.2-11.6 HB3 GLN 61 - HB3 PRO 34 far 0 23 0 - 8.3-9.1 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 8.6-11.5 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 8.7-9.9 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 45 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 48 0 - 9.6-19.8 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 48 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 1427 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 8 out of 49 assignments used, quality = 1.00: HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=18...(48) * HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=17...(48) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=17...(44) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=18...(44) HG2 ARG 71 + HB2 ARG 71 OK 94 94 100 100 2.3-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 94 94 100 100 2.4-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 47 49 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 26 + HB3 ARG 26 OK 45 47 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 54 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 83 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 54 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 83 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 42 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 83 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 95 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 94 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.2-10.2 HG3 ARG 17 - HB3 PRO 34 far 0 40 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 39 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 74 0 - 7.4-10.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 51 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 45 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 30 0 - 8.2-11.6 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 8.3-9.1 HD3 LYS 32 - HB3 PRO 34 far 0 33 0 - 8.6-11.5 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 8.7-9.9 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 39 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 44 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 39 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 47 0 - 9.6-19.8 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 47 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 1428 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 16 out of 61 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 68 100 70 98 2.4-4.2 3.5=77, 5382/4.1=11...(46) HD3 ARG 27 + HB3 ARG 27 OK 68 100 70 97 2.0-4.1 3.5=77, 5382/4.1=12...(46) HD3 ARG 27 + HB2 ARG 27 OK 63 100 65 97 2.3-4.2 3.5=77, 5382/4.1=12...(46) HD2 ARG 71 + HB3 ARG 71 OK 54 60 95 95 2.1-3.6 3.5=78, 2937/3.0=23...(21) * HD2 ARG 27 + HB2 ARG 27 OK 49 100 50 97 2.2-4.2 3.5=77, 5382/4.1=11...(46) HD2 ARG 23 + HB3 ARG 23 OK 47 82 60 94 2.2-4.2 3.5=78, 2.9/1280=17...(17) HD3 ARG 23 + HB3 ARG 23 OK 47 82 60 94 2.1-3.8 3.5=78, 2.9/1280=17...(16) HD2 ARG 26 + HB3 ARG 26 OK 44 51 90 96 2.1-3.8 3.5=83, 532/3.9=11...(42) HD3 ARG 23 + HB2 ARG 23 OK 43 82 55 94 2.2-4.2 3.5=78, 2.9/1280=17...(17) HD2 ARG 26 + HB2 ARG 26 OK 41 53 80 97 2.2-4.2 3.5=83, 532/3.9=11...(43) HD2 ARG 23 + HB2 ARG 23 OK 39 82 50 94 2.1-4.1 3.5=78, 2.9/1280=17...(17) HD3 ARG 26 + HB3 ARG 26 OK 36 50 75 96 2.2-3.7 3.5=83, 1364/3.0=12...(42) HD2 ARG 71 + HB2 ARG 71 OK 29 60 50 96 2.2-4.1 3.5=78, 2937/3.0=23...(24) HD3 ARG 66 + HB2 ARG 66 OK 28 45 65 96 2.4-3.7 3.4=84, ~2701=19...(14) HD2 ARG 66 + HB2 ARG 66 OK 26 42 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 20 52 40 97 2.2-4.2 3.5=83, 1364/3.0=12...(43) HD3 ARG 27 - HB2 ARG 26 far 8 54 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 3 54 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 52 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 82 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.3-9.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.5-10.6 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 5.5-9.4 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 81 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 48 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 48 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 51 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 51 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 8.9-15.2 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 16 out of 61 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 68 100 70 98 2.4-4.2 3.5=77, 5382/4.1=11...(46) HD3 ARG 27 + HB3 ARG 27 OK 68 100 70 97 2.0-4.1 3.5=77, 5382/4.1=12...(46) * HD3 ARG 27 + HB2 ARG 27 OK 63 100 65 97 2.3-4.2 3.5=77, 5382/4.1=12...(46) HD2 ARG 71 + HB3 ARG 71 OK 54 60 95 95 2.1-3.6 3.5=78, 2937/3.0=23...(21) HD2 ARG 27 + HB2 ARG 27 OK 49 100 50 97 2.2-4.2 3.5=77, 5382/4.1=11...(46) HD2 ARG 23 + HB3 ARG 23 OK 47 82 60 94 2.2-4.2 3.5=78, 2.9/1280=17...(17) HD3 ARG 23 + HB3 ARG 23 OK 47 82 60 94 2.1-3.8 3.5=78, 2.9/1280=17...(16) HD2 ARG 26 + HB3 ARG 26 OK 44 51 90 96 2.1-3.8 3.5=83, 532/3.9=11...(42) HD3 ARG 23 + HB2 ARG 23 OK 43 82 55 94 2.2-4.2 3.5=78, 2.9/1280=17...(17) HD2 ARG 26 + HB2 ARG 26 OK 41 53 80 97 2.2-4.2 3.5=83, 532/3.9=11...(43) HD2 ARG 23 + HB2 ARG 23 OK 39 82 50 94 2.1-4.1 3.5=78, 2.9/1280=17...(17) HD3 ARG 26 + HB3 ARG 26 OK 36 50 75 96 2.2-3.7 3.5=83, 1364/3.0=12...(42) HD2 ARG 71 + HB2 ARG 71 OK 29 60 50 96 2.2-4.1 3.5=78, 2937/3.0=23...(24) HD3 ARG 66 + HB2 ARG 66 OK 28 45 65 96 2.4-3.7 3.4=84, ~2701=19...(14) HD2 ARG 66 + HB2 ARG 66 OK 26 42 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 20 52 40 97 2.2-4.2 3.5=83, 1364/3.0=12...(43) HD3 ARG 27 - HB2 ARG 26 far 8 54 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 3 54 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 52 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 52 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 53 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 82 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 83 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.3-9.0 HD2 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.5-10.6 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 5.5-9.4 HD2 ARG 17 - HB3 PRO 34 far 0 43 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 51 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 81 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 48 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 43 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 48 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 51 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 51 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 26 0 - 8.9-15.2 HD2 ARG 71 - HB2 ARG 66 far 0 28 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (8.18, 1.85, 30.20 ppm; 3.51 A): 3 out of 22 assignments used, quality = 1.00: * H ARG 27 + HB3 ARG 27 OK 98 100 100 98 3.1-3.6 4.1=64, 535/1.8=58...(19) H ARG 27 + HB2 ARG 27 OK 98 100 100 98 2.1-2.7 535=69, 5383/4157=28...(19) H ARG 27 + HB2 ARG 26 OK 42 56 90 83 2.7-4.0 5380/3.9=46, 4.6=44...(5) H ARG 27 - HB3 ARG 26 poor 14 54 25 - 3.8-4.1 H GLU 25 - HB2 ARG 27 far 0 76 0 - 4.5-5.7 H GLU 25 - HB2 ARG 23 far 0 55 0 - 4.6-5.6 H GLU 25 - HB3 ARG 23 far 0 56 0 - 4.7-5.7 H GLU 25 - HB2 ARG 26 far 0 36 0 - 4.7-6.5 H ASN 74 - HB3 ARG 71 far 0 68 0 - 5.3-6.1 H GLU 25 - HB3 ARG 26 far 0 34 0 - 5.3-6.5 H ARG 27 - HB3 ARG 23 far 0 83 0 - 5.4-7.1 H ASN 74 - HB2 ARG 71 far 0 68 0 - 5.5-6.2 H GLU 25 - HB3 ARG 27 far 0 76 0 - 5.6-7.2 H ARG 27 - HB2 ARG 23 far 0 82 0 - 5.9-7.7 H THR 15 - HB3 PRO 34 far 0 27 0 - 7.4-24.2 H LEU 57 - HB3 PRO 34 far 0 25 0 - 8.0-8.6 H GLU 25 - HB3 ARG 71 far 0 76 0 - 8.1-11.9 H THR 15 - HB3 ARG 26 far 0 30 0 - 8.3-27.7 H GLU 25 - HB2 ARG 71 far 0 76 0 - 8.4-11.2 H ARG 27 - HB2 ARG 71 far 0 100 0 - 8.8-11.7 H ARG 27 - HB3 ARG 71 far 0 100 0 - 8.9-12.0 H THR 15 - HB2 ARG 26 far 0 32 0 - 9.8-26.7 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (4.12, 1.85, 30.20 ppm; 3.14 A): 4 out of 27 assignments used, quality = 1.00: * HA ARG 27 + HB3 ARG 27 OK 100 100 100 100 2.4-2.9 3.0=100 HA ARG 27 + HB2 ARG 27 OK 100 100 100 100 2.8-3.0 3.0=100 HA ARG 23 + HB3 ARG 23 OK 76 76 100 100 2.4-3.0 3.0=100 HA ARG 23 + HB2 ARG 23 OK 76 76 100 100 2.5-3.0 3.0=100 HA ARG 23 - HB2 ARG 26 far 5 51 10 - 3.0-5.7 HA ARG 27 - HB2 ARG 26 far 0 56 0 - 4.2-4.6 HA ARG 27 - HB3 ARG 26 far 0 54 0 - 4.4-5.7 HA ARG 23 - HB3 ARG 26 far 0 49 0 - 4.6-6.2 HA GLU 25 - HB2 ARG 27 far 0 65 0 - 4.7-5.3 HA ARG 23 - HB2 ARG 27 far 0 97 0 - 5.1-8.0 HA GLU 25 - HB3 ARG 27 far 0 65 0 - 5.4-6.6 HA GLU 25 - HB2 ARG 26 far 0 30 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 29 0 - 5.9-6.6 HA ALA 30 - HB3 ARG 26 far 0 38 0 - 5.9-7.5 HA ALA 30 - HB2 ARG 26 far 0 40 0 - 5.9-7.6 HA ARG 23 - HB3 ARG 27 far 0 97 0 - 6.7-9.3 HA ARG 27 - HB3 ARG 23 far 0 83 0 - 6.8-9.0 HA GLU 25 - HB2 ARG 23 far 0 47 0 - 7.3-8.4 HA GLU 25 - HB3 ARG 23 far 0 47 0 - 7.3-8.3 HA ARG 27 - HB2 ARG 23 far 0 82 0 - 7.6-9.9 HA ALA 30 - HB3 ARG 27 far 0 83 0 - 7.7-8.0 HA ALA 30 - HB2 ARG 27 far 0 83 0 - 8.0-8.3 HA ASN 49 - HB2 ARG 66 far 0 39 0 - 8.2-9.3 HA GLU 25 - HB3 ARG 71 far 0 65 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 65 0 - 9.0-12.5 HA ARG 23 - HB3 ARG 71 far 0 96 0 - 9.6-13.1 HA ARG 27 - HB2 ARG 71 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 1432 from cnoeabs.peaks (1.85, 1.85, 30.20 ppm; diagonal): 10 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): 10 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 49 assignments used, quality = 1.00: HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1439/3.0=18...(48) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=17...(48) HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=17...(44) * HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1439/3.0=18...(44) HG2 ARG 71 + HB3 ARG 71 OK 95 95 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 95 95 100 100 2.3-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 50 52 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 26 + HB3 ARG 26 OK 48 50 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 56 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 85 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 56 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 85 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 77 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 45 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 96 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 74 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 96 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.2-10.2 HG3 ARG 17 - HB3 PRO 34 far 0 43 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 42 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 75 0 - 7.4-10.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 54 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 48 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 33 0 - 8.2-11.6 HB3 GLN 61 - HB3 PRO 34 far 0 24 0 - 8.3-9.1 HD3 LYS 32 - HB3 PRO 34 far 0 35 0 - 8.6-11.5 HB3 GLN 61 - HB3 ARG 27 far 0 63 0 - 8.7-9.9 HD2 LYS 73 - HB2 ARG 71 far 0 80 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 42 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 47 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 42 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 80 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 50 0 - 9.6-19.8 HB3 GLN 61 - HB2 ARG 27 far 0 63 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 50 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (1.63, 1.85, 30.20 ppm; 2.84 A): 8 out of 49 assignments used, quality = 1.00: HG2 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=18...(48) HG3 ARG 27 + HB2 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=17...(48) * HG3 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.4-3.0 2.9=94, 1447/3.0=17...(44) HG2 ARG 27 + HB3 ARG 27 OK 99 100 100 99 2.3-3.0 2.9=94, 1447/3.0=18...(44) HG2 ARG 71 + HB3 ARG 71 OK 94 94 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 94 94 100 100 2.3-3.0 2.8=100 HG2 ARG 26 + HB2 ARG 26 OK 50 51 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 26 + HB3 ARG 26 OK 47 49 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 56 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 97 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 83 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 56 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 83 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 76 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 43 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 97 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 82 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 76 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 94 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 73 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 95 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 100 0 - 7.2-10.2 HG3 ARG 17 - HB3 PRO 34 far 0 42 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 41 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 74 0 - 7.4-10.7 HG2 ARG 27 - HB3 ARG 71 far 0 100 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 53 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 47 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 32 0 - 8.2-11.6 HB3 GLN 61 - HB3 PRO 34 far 0 25 0 - 8.3-9.1 HD3 LYS 32 - HB3 PRO 34 far 0 34 0 - 8.6-11.5 HB3 GLN 61 - HB3 ARG 27 far 0 65 0 - 8.7-9.9 HD2 LYS 73 - HB2 ARG 71 far 0 78 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 46 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 40 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 78 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 49 0 - 9.6-19.8 HB3 GLN 61 - HB2 ARG 27 far 0 65 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 49 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 16 out of 61 assignments used, quality = 1.00: * HD2 ARG 27 + HB3 ARG 27 OK 68 100 70 98 2.4-4.2 3.5=77, 5382/4.1=11...(46) HD3 ARG 27 + HB3 ARG 27 OK 68 100 70 97 2.0-4.1 3.5=77, 5382/4.1=12...(46) HD3 ARG 27 + HB2 ARG 27 OK 63 100 65 97 2.3-4.2 3.5=77, 5382/4.1=12...(46) HD2 ARG 71 + HB3 ARG 71 OK 54 60 95 95 2.1-3.6 3.5=78, 2937/3.0=23...(21) HD2 ARG 27 + HB2 ARG 27 OK 49 100 50 97 2.2-4.2 3.5=77, 5382/4.1=11...(46) HD2 ARG 23 + HB3 ARG 23 OK 46 82 60 94 2.2-4.2 3.5=78, 2.9/1280=16...(17) HD3 ARG 23 + HB3 ARG 23 OK 46 82 60 94 2.1-3.8 3.5=78, 2.9/1280=16...(16) HD2 ARG 26 + HB3 ARG 26 OK 46 53 90 96 2.1-3.8 3.5=83, 532/3.9=11...(42) HD2 ARG 26 + HB2 ARG 26 OK 43 55 80 97 2.2-4.2 3.5=83, 532/3.9=11...(43) HD3 ARG 23 + HB2 ARG 23 OK 42 81 55 94 2.2-4.2 3.5=78, 2.9/1280=16...(17) HD2 ARG 23 + HB2 ARG 23 OK 38 81 50 94 2.1-4.1 3.5=78, 2.9/1280=16...(17) HD3 ARG 26 + HB3 ARG 26 OK 38 52 75 96 2.2-3.7 3.5=83, 1364/3.0=12...(42) HD3 ARG 66 + HB2 ARG 66 OK 29 46 65 96 2.4-3.7 3.4=84, ~2701=19...(14) HD2 ARG 71 + HB2 ARG 71 OK 29 60 50 96 2.2-4.1 3.5=78, 2937/3.0=23...(24) HD2 ARG 66 + HB2 ARG 66 OK 27 43 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 21 55 40 97 2.2-4.2 3.5=83, 1364/3.0=12...(43) HD3 ARG 27 - HB2 ARG 26 far 8 56 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 3 56 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 54 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 81 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.3-9.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.5-10.6 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 5.5-9.4 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 80 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 51 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 51 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 53 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 53 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 8.9-15.2 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (3.17, 1.85, 30.20 ppm; 3.25 A): 16 out of 61 assignments used, quality = 1.00: HD2 ARG 27 + HB3 ARG 27 OK 68 100 70 98 2.4-4.2 3.5=77, 5382/4.1=11...(46) * HD3 ARG 27 + HB3 ARG 27 OK 68 100 70 97 2.0-4.1 3.5=77, 5382/4.1=12...(46) HD3 ARG 27 + HB2 ARG 27 OK 63 100 65 97 2.3-4.2 3.5=77, 5382/4.1=12...(46) HD2 ARG 71 + HB3 ARG 71 OK 54 60 95 95 2.1-3.6 3.5=78, 2937/3.0=23...(21) HD2 ARG 27 + HB2 ARG 27 OK 49 100 50 97 2.2-4.2 3.5=77, 5382/4.1=11...(46) HD2 ARG 23 + HB3 ARG 23 OK 46 82 60 94 2.2-4.2 3.5=78, 2.9/1280=16...(17) HD3 ARG 23 + HB3 ARG 23 OK 46 82 60 94 2.1-3.8 3.5=78, 2.9/1280=16...(16) HD2 ARG 26 + HB3 ARG 26 OK 46 53 90 96 2.1-3.8 3.5=83, 532/3.9=11...(42) HD2 ARG 26 + HB2 ARG 26 OK 43 55 80 97 2.2-4.2 3.5=83, 532/3.9=11...(43) HD3 ARG 23 + HB2 ARG 23 OK 42 81 55 94 2.2-4.2 3.5=78, 2.9/1280=16...(17) HD2 ARG 23 + HB2 ARG 23 OK 38 81 50 94 2.1-4.1 3.5=78, 2.9/1280=16...(17) HD3 ARG 26 + HB3 ARG 26 OK 38 52 75 96 2.2-3.7 3.5=83, 1364/3.0=12...(42) HD3 ARG 66 + HB2 ARG 66 OK 29 46 65 96 2.4-3.7 3.4=84, ~2701=19...(14) HD2 ARG 71 + HB2 ARG 71 OK 29 60 50 96 2.2-4.1 3.5=78, 2937/3.0=23...(24) HD2 ARG 66 + HB2 ARG 66 OK 27 43 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 21 55 40 97 2.2-4.2 3.5=83, 1364/3.0=12...(43) HD3 ARG 27 - HB2 ARG 26 far 8 56 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 4 83 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 3 56 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 0 54 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 54 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 83 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 56 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 81 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 82 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 100 0 - 5.3-9.0 HD2 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.5-10.6 HD2 ARG 26 - HB2 ARG 23 far 0 81 0 - 5.5-9.4 HD2 ARG 17 - HB3 PRO 34 far 0 45 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 53 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 100 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 100 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 100 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 81 0 - 6.1-9.0 HD3 ARG 26 - HB2 ARG 27 far 0 99 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 100 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 60 0 - 6.4-11.5 HD2 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 80 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 43 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 51 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 45 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 43 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 100 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 60 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 100 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 99 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 51 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 53 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 100 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 100 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 53 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 27 0 - 8.9-15.2 HD2 ARG 71 - HB2 ARG 66 far 0 29 0 - 9.5-11.8 HD2 ARG 66 - HB2 ARG 71 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1438 from cnoeabs.peaks (8.18, 1.63, 27.31 ppm; 4.12 A): 2 out of 10 assignments used, quality = 0.99: H ARG 27 + HG3 ARG 27 OK 95 100 95 100 2.0-4.4 5.0=57, 535/2.9=56...(26) * H ARG 27 + HG2 ARG 27 OK 75 100 75 100 1.9-4.5 5.0=57, 535/2.9=56...(27) H GLU 25 - HG2 ARG 27 far 11 76 15 - 4.2-7.8 H ARG 27 - HG2 ARG 26 far 9 89 10 - 2.3-5.3 H GLU 25 - HG3 ARG 27 far 4 76 5 - 4.4-7.6 H ASN 74 - HG3 ARG 70 far 0 42 0 - 4.7-7.5 H GLU 25 - HG2 ARG 26 far 0 62 0 - 4.7-6.7 H THR 15 - HG2 ARG 17 far 0 49 0 - 4.9-10.7 H THR 15 - HG3 ARG 17 far 0 50 0 - 5.2-11.1 H THR 15 - HG2 ARG 26 far 0 55 0 - 8.5-27.4 Violated in 0 structures by 0.00 A. Peak 1439 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 16 assignments used, quality = 1.00: * HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.2-3.6 3.8=83, 1419/1.8=35...(46) HA ARG 27 + HG3 ARG 27 OK 95 100 95 100 2.1-3.8 3.8=83, 1418/1.8=35...(44) HA ARG 23 - HG2 ARG 26 far 12 83 15 - 3.4-5.9 HA ARG 27 - HG2 ARG 26 far 9 89 10 - 3.4-6.6 HA ARG 23 - HG2 ARG 27 far 0 97 0 - 4.5-8.7 HA ARG 23 - HG3 ARG 27 far 0 97 0 - 4.6-8.3 HA GLU 25 - HG3 ARG 27 far 0 65 0 - 5.0-7.7 HA GLU 25 - HG2 ARG 27 far 0 65 0 - 5.0-7.8 HA GLU 25 - HG2 ARG 26 far 0 53 0 - 5.3-7.0 HA ALA 30 - HG3 ARG 17 far 0 62 0 - 7.0-22.7 HA ALA 30 - HG2 ARG 26 far 0 68 0 - 7.1-8.6 HA ALA 30 - HG2 ARG 17 far 0 61 0 - 7.1-21.0 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.5-9.5 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.7-9.1 HA GLU 25 - HG3 ARG 17 far 0 48 0 - 8.3-17.2 HA GLU 25 - HG2 ARG 17 far 0 47 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.95 A increased from 2.62 A): 8 out of 35 assignments used, quality = 1.00: * HB2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 17 + HG3 ARG 17 OK 74 74 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG2 ARG 17 OK 73 73 100 100 2.4-3.0 2.9=100 HB2 ARG 26 + HG2 ARG 26 OK 52 53 100 100 2.3-3.0 3.0=99, 3.9/529=25...(36) HB3 ARG 26 + HG2 ARG 26 OK 50 50 100 100 2.3-3.0 3.0=99, 3.9/529=25...(35) HB2 ARG 26 - HG2 ARG 27 far 0 65 0 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 89 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 65 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 100 0 - 4.5-8.6 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.9-7.6 HB3 ARG 23 - HG2 ARG 26 far 0 88 0 - 4.9-8.3 HB2 ARG 66 - HG3 ARG 70 far 0 48 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 89 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 80 0 - 7.3-19.0 HB3 PRO 34 - HG3 ARG 17 far 0 60 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 59 0 - 7.3-20.5 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.6-10.4 HB3 ARG 26 - HG3 ARG 17 far 0 46 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 45 0 - 9.3-19.2 HB2 LYS 75 - HG3 ARG 70 far 0 68 0 - 9.4-12.5 HB2 ARG 26 - HG3 ARG 17 far 0 48 0 - 9.6-19.8 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.95 A increased from 2.62 A): 8 out of 35 assignments used, quality = 1.00: * HB3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG3 ARG 17 OK 73 73 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG2 ARG 17 OK 71 71 100 100 2.4-3.0 2.9=100 HB2 ARG 26 + HG2 ARG 26 OK 55 55 100 100 2.3-3.0 3.0=99, 3.9/529=25...(36) HB3 ARG 26 + HG2 ARG 26 OK 52 53 100 100 2.3-3.0 3.0=99, 3.9/529=25...(35) HB2 ARG 26 - HG2 ARG 27 far 0 68 0 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 89 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 68 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 73 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.5-8.6 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.9-7.6 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.9-8.3 HB2 ARG 66 - HG3 ARG 70 far 0 50 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 89 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 87 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 7.3-19.0 HB3 PRO 34 - HG3 ARG 17 far 0 62 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 61 0 - 7.3-20.5 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.6-10.4 HB3 ARG 26 - HG3 ARG 17 far 0 48 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 83 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 47 0 - 9.3-19.2 HB2 LYS 75 - HG3 ARG 70 far 0 67 0 - 9.4-12.5 HB2 ARG 26 - HG3 ARG 17 far 0 50 0 - 9.6-19.8 Violated in 0 structures by 0.00 A. 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; 3.06 A): 10 out of 33 assignments used, quality = 1.00: HD3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.4-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 4 89 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 37 0 - 4.2-9.7 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 85 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 100 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 5.3-10.2 HD3 ARG 17 - HG2 ARG 26 far 0 85 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.06 A): 10 out of 33 assignments used, quality = 1.00: * HD3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 88 88 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 79 79 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 78 78 100 100 2.4-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 4 89 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 89 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 89 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 37 0 - 4.2-9.7 HD3 ARG 23 - HG2 ARG 26 far 0 89 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 85 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 100 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 5.3-10.2 HD3 ARG 17 - HG2 ARG 26 far 0 85 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 53 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 57 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 81 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 80 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 82 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 81 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.12, 1.63, 27.31 ppm; 3.54 A): 2 out of 16 assignments used, quality = 1.00: HA ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.2-3.6 3.8=83, 1419/1.8=35...(46) * HA ARG 27 + HG3 ARG 27 OK 95 100 95 100 2.1-3.8 3.8=83, 1418/1.8=35...(44) HA ARG 23 - HG2 ARG 26 far 12 82 15 - 3.4-5.9 HA ARG 27 - HG2 ARG 26 far 9 88 10 - 3.4-6.6 HA ARG 23 - HG2 ARG 27 far 0 97 0 - 4.5-8.7 HA ARG 23 - HG3 ARG 27 far 0 97 0 - 4.6-8.3 HA GLU 25 - HG3 ARG 27 far 0 65 0 - 5.0-7.7 HA GLU 25 - HG2 ARG 27 far 0 65 0 - 5.0-7.8 HA GLU 25 - HG2 ARG 26 far 0 52 0 - 5.3-7.0 HA ALA 30 - HG3 ARG 17 far 0 61 0 - 7.0-22.7 HA ALA 30 - HG2 ARG 26 far 0 67 0 - 7.1-8.6 HA ALA 30 - HG2 ARG 17 far 0 60 0 - 7.1-21.0 HA ALA 30 - HG3 ARG 27 far 0 83 0 - 7.5-9.5 HA ALA 30 - HG2 ARG 27 far 0 83 0 - 7.7-9.1 HA GLU 25 - HG3 ARG 17 far 0 47 0 - 8.3-17.2 HA GLU 25 - HG2 ARG 17 far 0 46 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.95 A increased from 2.62 A): 8 out of 35 assignments used, quality = 1.00: * HB2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG3 ARG 17 OK 73 73 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG2 ARG 17 OK 71 71 100 100 2.4-3.0 2.9=100 HB2 ARG 26 + HG2 ARG 26 OK 51 52 100 100 2.3-3.0 3.0=99, 3.9/529=25...(36) HB3 ARG 26 + HG2 ARG 26 OK 49 49 100 100 2.3-3.0 3.0=99, 3.9/529=25...(35) HB2 ARG 26 - HG2 ARG 27 far 0 65 0 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 88 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 65 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 100 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 100 0 - 4.5-8.6 HB3 ARG 26 - HG2 ARG 27 far 0 63 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 63 0 - 4.9-7.6 HB3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.9-8.3 HB2 ARG 66 - HG3 ARG 70 far 0 46 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 88 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 79 0 - 7.3-19.0 HB3 PRO 34 - HG3 ARG 17 far 0 59 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 58 0 - 7.3-20.5 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.6-10.4 HB3 ARG 26 - HG3 ARG 17 far 0 45 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 44 0 - 9.3-19.2 HB2 LYS 75 - HG3 ARG 70 far 0 66 0 - 9.4-12.5 HB2 ARG 26 - HG3 ARG 17 far 0 47 0 - 9.6-19.8 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (1.85, 1.63, 27.31 ppm; 2.95 A increased from 2.62 A): 8 out of 35 assignments used, quality = 1.00: * HB3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 ARG 17 + HG3 ARG 17 OK 71 71 100 100 2.3-3.0 2.9=100 HB2 ARG 17 + HG2 ARG 17 OK 70 70 100 100 2.4-3.0 2.9=100 HB2 ARG 26 + HG2 ARG 26 OK 54 54 100 100 2.3-3.0 3.0=99, 3.9/529=25...(36) HB3 ARG 26 + HG2 ARG 26 OK 51 52 100 100 2.3-3.0 3.0=99, 3.9/529=25...(35) HB2 ARG 26 - HG2 ARG 27 far 0 68 0 - 3.4-7.4 HB2 ARG 27 - HG2 ARG 26 far 0 88 0 - 3.5-7.9 HB2 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.7-8.2 HB2 ARG 26 - HG3 ARG 27 far 0 68 0 - 3.7-6.7 HB3 ARG 71 - HG3 ARG 70 far 0 71 0 - 3.7-8.4 HB3 ARG 23 - HG2 ARG 27 far 0 99 0 - 4.4-8.9 HB3 ARG 23 - HG3 ARG 27 far 0 99 0 - 4.5-8.6 HB3 ARG 26 - HG2 ARG 27 far 0 65 0 - 4.7-8.0 HB3 ARG 26 - HG3 ARG 27 far 0 65 0 - 4.9-7.6 HB3 ARG 23 - HG2 ARG 26 far 0 86 0 - 4.9-8.3 HB2 ARG 66 - HG3 ARG 70 far 0 48 0 - 4.9-8.0 HB3 ARG 27 - HG2 ARG 26 far 0 88 0 - 4.9-8.5 HB2 ARG 23 - HG3 ARG 27 far 0 99 0 - 5.4-8.9 HB2 ARG 23 - HG2 ARG 27 far 0 99 0 - 5.5-10.0 HB2 ARG 23 - HG2 ARG 26 far 0 86 0 - 5.9-8.7 HB2 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.4-10.4 HB3 ARG 71 - HG3 ARG 27 far 0 100 0 - 6.5-10.4 HB2 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.2-10.2 HB2 ARG 17 - HG2 ARG 26 far 0 78 0 - 7.3-19.0 HB3 PRO 34 - HG3 ARG 17 far 0 61 0 - 7.3-20.8 HB3 PRO 34 - HG2 ARG 17 far 0 60 0 - 7.3-20.5 HB3 ARG 71 - HG2 ARG 27 far 0 100 0 - 7.6-10.4 HB3 ARG 26 - HG3 ARG 17 far 0 47 0 - 8.1-20.6 HB2 LYS 39 - HG3 ARG 17 far 0 82 0 - 8.9-21.9 HB3 ARG 26 - HG2 ARG 17 far 0 46 0 - 9.3-19.2 HB2 LYS 75 - HG3 ARG 70 far 0 65 0 - 9.4-12.5 HB2 ARG 26 - HG3 ARG 17 far 0 49 0 - 9.6-19.8 Violated in 0 structures by 0.00 A. 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; 3.06 A): 10 out of 33 assignments used, quality = 1.00: * HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.4-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 4 88 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 35 0 - 4.2-9.7 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 84 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 100 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 5.3-10.2 HD3 ARG 17 - HG2 ARG 26 far 0 84 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 1453 from cnoeabs.peaks (3.17, 1.63, 27.31 ppm; 3.06 A): 10 out of 33 assignments used, quality = 1.00: HD2 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 ARG 27 + HG3 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 27 + HG2 ARG 27 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 87 87 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 86 86 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 78 78 100 100 2.4-3.0 3.0=100 HD3 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 76 76 100 100 2.4-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 4 88 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 87 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 88 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 35 0 - 4.2-9.7 HD3 ARG 23 - HG2 ARG 26 far 0 87 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 84 0 - 4.8-18.2 HD2 ARG 71 - HG3 ARG 27 far 0 60 0 - 4.9-11.5 HD2 ARG 26 - HG2 ARG 27 far 0 100 0 - 5.0-9.4 HD3 ARG 26 - HG2 ARG 27 far 0 99 0 - 5.3-10.2 HD3 ARG 17 - HG2 ARG 26 far 0 84 0 - 5.4-19.5 HD3 ARG 23 - HG2 ARG 27 far 0 100 0 - 5.4-9.6 HD2 ARG 26 - HG3 ARG 27 far 0 100 0 - 5.7-8.9 HD2 ARG 23 - HG3 ARG 27 far 0 100 0 - 5.8-11.0 HD2 ARG 23 - HG2 ARG 27 far 0 100 0 - 6.0-10.1 HD2 ARG 71 - HG2 ARG 27 far 0 60 0 - 6.0-11.9 HD3 ARG 23 - HG3 ARG 27 far 0 100 0 - 6.1-10.4 HD2 ARG 66 - HG3 ARG 70 far 0 52 0 - 6.1-11.5 HD3 ARG 66 - HG3 ARG 70 far 0 55 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 80 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 99 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 79 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 81 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 79 0 - 8.6-19.6 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (4.12, 3.17, 43.10 ppm; 4.47 A): 5 out of 35 assignments used, quality = 1.00: HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.6 5.4=58, 1439/3.0=41...(38) HA ARG 23 + HD3 ARG 23 OK 89 96 95 98 2.3-4.8 1264/2.9=75, 5.2=63...(14) * HA ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.1-4.9 5.4=58, 1439/3.0=41...(38) HA ARG 23 + HD2 ARG 23 OK 85 96 90 98 2.0-5.5 1264/2.9=75, 5.2=63...(15) HA ARG 23 + HD2 ARG 26 OK 23 96 60 41 3.3-6.5 5341/6.1=31, 5344/3.5=7, 1266=7 HA ARG 23 - HD3 ARG 26 poor 19 95 20 - 4.4-6.9 HA ARG 23 - HD3 ARG 27 far 10 97 10 - 4.5-9.3 HA ARG 27 - HD2 ARG 26 far 5 100 5 - 4.7-7.9 HA ARG 23 - HD2 ARG 27 far 5 97 5 - 4.6-8.3 HA ASN 49 - HD3 ARG 66 far 0 30 0 - 5.2-8.7 HA ASN 49 - HD2 ARG 66 far 0 28 0 - 5.5-8.8 HA ARG 27 - HD3 ARG 26 far 0 99 0 - 5.6-8.0 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 5.9-9.4 HA GLU 25 - HD2 ARG 27 far 0 65 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.3-8.5 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.7-9.6 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 6.7-8.2 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 6.8-8.2 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.9-10.2 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 7.3-10.5 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 7.5-11.7 HA ARG 27 - HD2 ARG 23 far 0 100 0 - 7.7-12.6 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 8.0-22.3 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 8.3-10.8 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 8.5-21.5 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 8.7-13.6 HA ARG 23 - HD2 ARG 71 far 0 54 0 - 8.7-14.1 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 8.7-11.1 HB THR 88 - HD3 ARG 84 far 0 82 0 - 8.7-18.0 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 8.8-14.6 HA ARG 23 - HD2 ARG 17 far 0 93 0 - 8.9-19.7 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 61 0 - 9.2-17.0 HB THR 88 - HD2 ARG 84 far 0 77 0 - 9.3-18.7 HA ARG 23 - HD3 ARG 17 far 0 93 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1456 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.54 A increased from 2.83 A): 18 out of 69 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 99 99 100 100 2.1-3.8 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.0-4.1 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 94 99 95 100 2.1-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 86 91 95 100 2.2-4.1 3.6=96, 1161/1.8=22...(42) * HB2 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.4-4.2 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 68 91 75 100 2.0-4.2 3.6=96, 1161/1.8=26...(42) HB3 ARG 26 + HD2 ARG 26 OK 62 62 100 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 61 64 95 100 2.2-4.2 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 61 61 100 100 2.2-3.7 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 60 60 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 57 60 95 100 2.2-4.1 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 48 64 75 100 2.2-4.2 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 30 30 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 28 28 100 100 2.1-3.8 3.4=100 HB2 ARG 26 - HD3 ARG 27 far 10 65 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 3 65 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 65 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.3-9.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.5-10.6 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 99 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 59 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 59 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 59 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 61 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.4-18.6 HB2 ARG 26 - HD3 ARG 17 far 0 61 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 97 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 9.5-11.8 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.54 A increased from 2.83 A): 18 out of 69 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 99 99 100 100 2.1-3.8 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.0-4.1 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.3-4.2 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 94 99 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.2-4.2 3.5=100 * HB3 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 85 89 95 100 2.2-4.1 3.6=96, 1161/1.8=22...(42) HB3 ARG 23 + HD2 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 67 89 75 100 2.0-4.2 3.6=96, 1161/1.8=26...(42) HB3 ARG 26 + HD2 ARG 26 OK 64 64 100 100 2.1-3.8 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 64 64 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 64 67 95 100 2.2-4.2 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 60 60 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 57 60 95 100 2.2-4.1 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 50 66 75 100 2.2-4.2 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 31 31 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 29 29 100 100 2.1-3.8 3.4=100 HB2 ARG 26 - HD3 ARG 27 far 10 68 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 5 99 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 3 68 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 67 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.3-9.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.5-10.6 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 61 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 61 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 64 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.4-18.6 HB2 ARG 26 - HD3 ARG 17 far 0 64 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 96 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 9.5-11.8 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.86 A): 11 out of 56 assignments used, quality = 1.00: * HG2 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1439/5.4=7...(30) HG3 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.2-3.0 3.0=91, 1418/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.3-3.0 3.0=91, 1439/5.4=7...(28) HG3 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1418/5.4=7...(28) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=10...(20) HG3 ARG 17 + HD3 ARG 17 OK 88 92 100 96 2.4-3.0 3.0=89, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 88 92 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 17 + HD3 ARG 17 OK 87 91 100 96 2.3-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 71 + HD2 ARG 71 OK 50 53 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(16) HG2 ARG 26 - HD3 ARG 27 far 5 97 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 45 0 - 4.2-9.7 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 4.3-11.1 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 94 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.3-10.2 HG2 ARG 26 - HD3 ARG 17 far 0 94 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 7.7-19.8 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 9.1-13.5 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 9.3-11.4 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.4-12.5 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 9.7-12.4 HD3 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.8-17.1 HB3 GLN 61 - HD3 ARG 17 far 0 59 0 - 9.8-26.1 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.86 A): 11 out of 56 assignments used, quality = 1.00: HG2 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1447/5.4=7...(30) * HG3 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.2-3.0 3.0=91, 1419/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.3-3.0 3.0=91, 1447/5.4=7...(28) HG3 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1419/5.4=7...(28) HG2 ARG 26 + HD2 ARG 26 OK 91 96 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 91 95 100 96 2.3-3.0 3.0=92, 529/6.1=10...(20) HG3 ARG 17 + HD3 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 17 + HD3 ARG 17 OK 86 89 100 96 2.3-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 17 + HD2 ARG 17 OK 86 89 100 96 2.4-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 71 + HD2 ARG 71 OK 49 52 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(16) HG2 ARG 26 - HD3 ARG 27 far 5 97 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 43 0 - 4.2-9.7 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 4.3-11.1 HB2 LEU 86 - HD2 ARG 84 far 0 62 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.3-10.2 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 60 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 9.1-13.5 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 9.3-11.4 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.4-12.5 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 9.7-12.4 HD3 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.8-17.1 HB3 GLN 61 - HD3 ARG 17 far 0 61 0 - 9.8-26.1 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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; 4.47 A): 5 out of 35 assignments used, quality = 1.00: * HA ARG 27 + HD3 ARG 27 OK 100 100 100 100 2.0-4.6 5.4=58, 1439/3.0=41...(38) HA ARG 23 + HD3 ARG 23 OK 89 96 95 98 2.3-4.8 1264/2.9=75, 5.2=63...(14) HA ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.1-4.9 5.4=58, 1439/3.0=41...(38) HA ARG 23 + HD2 ARG 23 OK 85 96 90 98 2.0-5.5 1264/2.9=75, 5.2=63...(15) HA ARG 23 + HD2 ARG 26 OK 23 96 60 41 3.3-6.5 5341/6.1=31, 5344/3.5=7, 1266=7 HA ARG 23 - HD3 ARG 26 poor 19 95 20 - 4.4-6.9 HA ARG 23 - HD3 ARG 27 far 10 97 10 - 4.5-9.3 HA ARG 27 - HD2 ARG 26 far 5 100 5 - 4.7-7.9 HA ARG 23 - HD2 ARG 27 far 5 97 5 - 4.6-8.3 HA ASN 49 - HD3 ARG 66 far 0 30 0 - 5.2-8.7 HA ASN 49 - HD2 ARG 66 far 0 28 0 - 5.5-8.8 HA ARG 27 - HD3 ARG 26 far 0 99 0 - 5.6-8.0 HA ALA 30 - HD3 ARG 26 far 0 81 0 - 5.9-9.4 HA GLU 25 - HD2 ARG 27 far 0 65 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 65 0 - 6.3-8.5 HA ALA 30 - HD2 ARG 26 far 0 81 0 - 6.7-9.6 HA GLU 25 - HD2 ARG 26 far 0 64 0 - 6.7-8.2 HA GLU 25 - HD3 ARG 26 far 0 64 0 - 6.8-8.2 HA ALA 30 - HD3 ARG 27 far 0 83 0 - 6.9-10.2 HA ALA 30 - HD2 ARG 27 far 0 83 0 - 7.3-10.5 HA ARG 27 - HD3 ARG 23 far 0 100 0 - 7.5-11.7 HA ARG 27 - HD2 ARG 23 far 0 100 0 - 7.7-12.6 HA ALA 30 - HD3 ARG 17 far 0 78 0 - 8.0-22.3 HA GLU 25 - HD2 ARG 23 far 0 65 0 - 8.3-10.8 HA ALA 30 - HD2 ARG 17 far 0 78 0 - 8.5-21.5 HA ARG 27 - HD2 ARG 71 far 0 60 0 - 8.7-13.6 HA ARG 23 - HD2 ARG 71 far 0 54 0 - 8.7-14.1 HA GLU 25 - HD3 ARG 23 far 0 65 0 - 8.7-11.1 HB THR 88 - HD3 ARG 84 far 0 82 0 - 8.7-18.0 HA GLU 25 - HD2 ARG 71 far 0 32 0 - 8.8-14.6 HA ARG 23 - HD2 ARG 17 far 0 93 0 - 8.9-19.7 HA GLU 25 - HD3 ARG 17 far 0 61 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 61 0 - 9.2-17.0 HB THR 88 - HD2 ARG 84 far 0 77 0 - 9.3-18.7 HA ARG 23 - HD3 ARG 17 far 0 93 0 - 9.4-21.4 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.54 A increased from 2.83 A): 18 out of 69 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 99 99 100 100 2.1-3.8 3.5=100 * HB2 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.0-4.1 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 94 99 95 100 2.1-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 86 91 95 100 2.2-4.1 3.6=96, 1161/1.8=22...(42) HB2 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.4-4.2 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 68 91 75 100 2.0-4.2 3.6=96, 1161/1.8=26...(42) HB3 ARG 26 + HD2 ARG 26 OK 62 62 100 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 61 64 95 100 2.2-4.2 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 61 61 100 100 2.2-3.7 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 60 60 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 57 60 95 100 2.2-4.1 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 48 64 75 100 2.2-4.2 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 30 30 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 28 28 100 100 2.1-3.8 3.4=100 HB2 ARG 26 - HD3 ARG 27 far 10 65 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 5 100 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 3 65 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 63 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 63 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 65 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 100 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 65 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 55 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.3-9.0 HB3 ARG 26 - HD2 ARG 23 far 0 62 0 - 5.5-10.6 HB2 ARG 23 - HD2 ARG 26 far 0 99 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 76 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 62 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 99 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 59 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 59 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 76 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 93 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 59 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 61 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.4-18.6 HB2 ARG 26 - HD3 ARG 17 far 0 61 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 32 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 97 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 38 0 - 9.5-11.8 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (1.85, 3.17, 43.10 ppm; 3.54 A increased from 2.83 A): 18 out of 69 assignments used, quality = 1.00: HB3 ARG 23 + HD3 ARG 23 OK 99 99 100 100 2.1-3.8 3.5=100 * HB3 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.0-4.1 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 95 100 95 100 2.3-4.2 3.5=100 HB2 ARG 23 + HD2 ARG 23 OK 94 99 95 100 2.1-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 85 100 85 100 2.4-4.2 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 85 89 95 100 2.2-4.1 3.6=96, 1161/1.8=22...(42) HB3 ARG 23 + HD2 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 79 99 80 100 2.2-4.2 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 67 89 75 100 2.0-4.2 3.6=96, 1161/1.8=26...(42) HB3 ARG 26 + HD2 ARG 26 OK 64 64 100 100 2.1-3.8 3.5=100 HB3 ARG 26 + HD3 ARG 26 OK 64 64 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 64 67 95 100 2.2-4.2 3.5=100 HB3 ARG 71 + HD2 ARG 71 OK 60 60 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 57 60 95 100 2.2-4.1 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 50 66 75 100 2.2-4.2 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 31 31 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 29 29 100 100 2.1-3.8 3.4=100 HB2 ARG 26 - HD3 ARG 27 far 10 68 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 5 99 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 3 68 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 0 65 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 65 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 67 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 99 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 67 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 99 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 99 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 54 0 - 5.1-10.0 HB2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.3-9.0 HB3 ARG 26 - HD2 ARG 23 far 0 65 0 - 5.5-10.6 HB2 ARG 23 - HD2 ARG 26 far 0 98 0 - 5.5-9.4 HB3 PRO 34 - HD2 ARG 17 far 0 78 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 65 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 100 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.1-9.0 HB2 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 100 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.4-11.5 HB3 ARG 27 - HD2 ARG 26 far 0 100 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 98 0 - 6.8-9.8 HB2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 61 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 78 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 58 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.9-10.6 HB2 ARG 17 - HD3 ARG 26 far 0 92 0 - 6.9-19.0 HB3 ARG 27 - HD2 ARG 71 far 0 60 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 100 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 100 0 - 7.3-12.6 HB3 ARG 27 - HD3 ARG 26 far 0 99 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 61 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 64 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 100 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 100 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 98 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 100 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 100 0 - 8.4-13.5 HB2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.4-18.6 HB2 ARG 26 - HD3 ARG 17 far 0 64 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 98 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 34 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 96 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 40 0 - 9.5-11.8 HB2 ARG 71 - HD2 ARG 66 far 0 45 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.86 A): 11 out of 56 assignments used, quality = 1.00: HG2 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1439/5.4=7...(30) HG3 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.2-3.0 3.0=91, 1418/5.4=7...(30) * HG2 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.3-3.0 3.0=91, 1439/5.4=7...(28) HG3 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1418/5.4=7...(28) HG2 ARG 26 + HD2 ARG 26 OK 92 96 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 92 96 100 96 2.3-3.0 3.0=92, 529/6.1=10...(20) HG3 ARG 17 + HD3 ARG 17 OK 88 92 100 96 2.4-3.0 3.0=89, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 88 92 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 17 + HD3 ARG 17 OK 87 91 100 96 2.3-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 71 + HD2 ARG 71 OK 50 53 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(16) HG2 ARG 26 - HD3 ARG 27 far 5 97 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 97 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 45 0 - 4.2-9.7 HG2 ARG 71 - HD2 ARG 27 far 0 96 0 - 4.3-11.1 HB2 LEU 86 - HD2 ARG 84 far 0 63 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 97 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 94 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 96 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.3-10.2 HG2 ARG 26 - HD3 ARG 17 far 0 94 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 76 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 76 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 68 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 33 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 35 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 81 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 94 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 81 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 93 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 95 0 - 7.7-19.8 HG2 ARG 71 - HD2 ARG 23 far 0 95 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 93 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 62 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 42 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 95 0 - 9.1-13.5 HB3 GLN 61 - HD2 ARG 66 far 0 22 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 63 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 24 0 - 9.3-11.4 HD2 LYS 73 - HD2 ARG 71 far 0 42 0 - 9.4-12.5 HB3 GLN 61 - HD2 ARG 27 far 0 63 0 - 9.7-12.4 HD3 LYS 73 - HD2 ARG 66 far 0 30 0 - 9.8-17.1 HB3 GLN 61 - HD3 ARG 17 far 0 59 0 - 9.8-26.1 HG2 ARG 71 - HD3 ARG 66 far 0 42 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 40 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (1.63, 3.17, 43.10 ppm; 2.86 A): 11 out of 56 assignments used, quality = 1.00: HG2 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1447/5.4=7...(30) HG3 ARG 27 + HD2 ARG 27 OK 95 100 100 95 2.2-3.0 3.0=91, 1419/5.4=7...(30) HG2 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.3-3.0 3.0=91, 1447/5.4=7...(28) * HG3 ARG 27 + HD3 ARG 27 OK 95 100 100 95 2.6-3.0 3.0=91, 1419/5.4=7...(28) HG2 ARG 26 + HD2 ARG 26 OK 91 96 100 96 2.2-3.0 3.0=92, 529/6.1=10...(20) HG2 ARG 26 + HD3 ARG 26 OK 91 95 100 96 2.3-3.0 3.0=92, 529/6.1=10...(20) HG3 ARG 17 + HD3 ARG 17 OK 87 91 100 96 2.4-3.0 3.0=89, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 87 91 100 96 2.2-3.0 3.0=89, 2.9/1160=13...(22) HG2 ARG 17 + HD3 ARG 17 OK 86 89 100 96 2.3-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 17 + HD2 ARG 17 OK 86 89 100 96 2.4-3.0 3.0=89, 1167/3.6=15...(22) HG2 ARG 71 + HD2 ARG 71 OK 49 52 100 94 2.3-3.0 3.0=88, 3.8/2902=12...(16) HG2 ARG 26 - HD3 ARG 27 far 5 97 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 96 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 97 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 43 0 - 4.2-9.7 HG2 ARG 71 - HD2 ARG 27 far 0 95 0 - 4.3-11.1 HB2 LEU 86 - HD2 ARG 84 far 0 62 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 96 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 93 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 60 0 - 4.9-11.5 HG2 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.0-9.4 HG2 ARG 71 - HD3 ARG 27 far 0 95 0 - 5.3-10.5 HG2 ARG 27 - HD3 ARG 26 far 0 99 0 - 5.3-10.2 HG2 ARG 26 - HD3 ARG 17 far 0 93 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 74 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 100 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 26 far 0 100 0 - 5.7-8.9 HG3 ARG 27 - HD2 ARG 23 far 0 100 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 74 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 100 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 60 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 66 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 100 0 - 6.1-10.4 HG3 ARG 70 - HD2 ARG 66 far 0 31 0 - 6.1-11.5 HG3 ARG 70 - HD3 ARG 66 far 0 34 0 - 6.4-11.4 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 93 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 99 0 - 6.8-10.1 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 92 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 93 0 - 7.7-19.8 HG2 ARG 71 - HD2 ARG 23 far 0 94 0 - 8.0-13.5 HG2 ARG 17 - HD2 ARG 26 far 0 92 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 60 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 40 0 - 8.7-13.5 HD2 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.0-16.1 HG2 ARG 71 - HD3 ARG 23 far 0 94 0 - 9.1-13.5 HB3 GLN 61 - HD2 ARG 66 far 0 23 0 - 9.1-11.7 HB3 GLN 61 - HD3 ARG 27 far 0 65 0 - 9.2-12.9 HB3 GLN 61 - HD3 ARG 66 far 0 25 0 - 9.3-11.4 HD2 LYS 73 - HD2 ARG 71 far 0 40 0 - 9.4-12.5 HB3 GLN 61 - HD2 ARG 27 far 0 65 0 - 9.7-12.4 HD3 LYS 73 - HD2 ARG 66 far 0 29 0 - 9.8-17.1 HB3 GLN 61 - HD3 ARG 17 far 0 61 0 - 9.8-26.1 HG2 ARG 71 - HD3 ARG 66 far 0 41 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 39 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (3.17, 3.17, 43.10 ppm; diagonal): 14 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): 14 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 4 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 100 100 2.9-2.9 3.0=100 H GLU 25 - HA ALA 28 far 0 96 0 - 7.5-7.8 H THR 15 - HA ALA 28 far 0 98 0 - 8.9-23.8 H SER 22 - HA ALA 28 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. 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; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 28 + HA ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 16 - HA ALA 28 far 0 81 0 - 7.4-16.6 HG3 LYS 32 - HA ALA 28 far 0 97 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (8.21, 1.34, 17.80 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.3 2.9=100 H GLU 25 - QB ALA 28 far 0 96 0 - 5.1-5.3 H SER 22 - QB ALA 28 far 0 100 0 - 6.6-7.8 H THR 15 - QB ALA 28 far 0 98 0 - 6.7-18.6 Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (3.96, 1.34, 17.80 ppm; 3.03 A): 1 out of 10 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 100 100 2.1-2.1 2.1=100 HA THR 37 - QB ALA 28 far 0 78 0 - 3.9-4.5 HA LYS 32 - QB ALA 28 far 0 85 0 - 5.2-5.5 HA3 GLY 18 - QB ALA 28 far 0 60 0 - 5.8-13.7 HA2 GLY 18 - QB ALA 28 far 0 57 0 - 6.4-14.4 HA3 GLY 21 - QB ALA 28 far 0 99 0 - 7.0-10.0 HA2 GLY 21 - QB ALA 28 far 0 99 0 - 7.3-10.1 HA GLN 61 - QB ALA 28 far 0 99 0 - 7.4-8.2 HA2 GLY 72 - QB ALA 28 far 0 100 0 - 9.0-10.7 HA ARG 66 - QB ALA 28 far 0 85 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 100 100 2.8-2.8 3.0=100 H LYS 32 + HA LEU 29 OK 64 97 100 67 3.1-3.6 4205=29, 910/5526=28...(5) H VAL 76 + HA LYS 73 OK 36 88 75 55 3.1-3.9 5431=29, 813/15432=23...(4) H ARG 70 - HA LYS 73 far 0 91 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 1477 from cnoeabs.peaks (4.16, 4.16, 56.71 ppm; diagonal): 3 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 8 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.6-2.6 3.0=100 HB2 ARG 84 + HA ARG 84 OK 59 59 100 100 2.4-3.0 3.0=100 HB3 LYS 83 - HA ARG 84 far 0 64 0 - 4.2-5.8 HB3 LYS 85 - HA ARG 84 far 0 63 0 - 4.3-6.5 HB3 ARG 17 - HA LEU 29 far 0 65 0 - 4.3-16.9 HB2 ARG 82 - HA ARG 84 far 0 43 0 - 5.1-8.4 HG2 ARG 70 - HA LYS 73 far 0 88 0 - 7.8-9.1 HB2 LEU 43 - HA LYS 73 far 0 88 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (1.58, 4.16, 56.71 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 2.3-2.3 3.0=100 HG2 ARG 84 + HA ARG 84 OK 39 56 70 99 2.2-4.2 3.9=59, 3402/3.0=28...(42) HG3 ARG 84 + HA ARG 84 OK 33 56 60 98 2.2-3.8 3.9=59, 3402/3.0=28...(38) HB3 LEU 86 - HA ARG 84 far 0 51 0 - 5.1-8.8 HG LEU 86 - HA ARG 84 far 0 50 0 - 6.3-10.0 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (1.67, 4.16, 56.71 ppm; 3.77 A increased from 3.35 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 3.6-3.6 3.7=100 HB2 ARG 82 - HA ARG 84 far 0 46 0 - 5.1-8.4 HD3 LYS 75 - HA LYS 73 far 0 86 0 - 5.4-8.5 HD3 LYS 13 - HA LEU 29 far 0 98 0 - 5.8-24.8 HD2 LYS 13 - HA LEU 29 far 0 98 0 - 5.9-24.2 HD2 LYS 75 - HA LYS 73 far 0 86 0 - 6.5-9.2 HB3 LYS 13 - HA LEU 29 far 0 99 0 - 8.7-24.4 HB3 GLN 61 - HA LEU 29 far 0 92 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (0.88, 4.16, 56.71 ppm; 4.07 A increased from 3.43 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 4.0-4.1 4.0=100 QD1 LEU 86 - HA ARG 84 far 0 61 0 - 5.0-8.5 QG1 VAL 90 - HA ARG 84 far 0 46 0 - 8.3-18.8 QG2 VAL 90 - HA ARG 84 far 0 48 0 - 9.8-18.0 Violated in 0 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (0.84, 4.16, 56.71 ppm; 3.79 A increased from 3.19 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 3.6-3.7 1512=100, 550/3.0=55...(28) QD2 LEU 86 - HA ARG 84 far 0 57 0 - 4.3-8.7 QD2 LEU 64 - HA LEU 29 far 0 100 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (7.95, 1.72, 41.88 ppm; 3.60 A increased from 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.5-3.6 546=99, 547/1.8=81...(11) H LYS 32 - HB2 LEU 29 far 0 97 0 - 4.7-5.2 Violated in 0 structures by 0.00 A. Peak 1484 from cnoeabs.peaks (4.16, 1.72, 41.88 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.6-2.6 3.0=100 HA ALA 30 - HB2 LEU 29 far 0 71 0 - 4.2-4.2 HB THR 15 - HB2 LEU 29 far 0 99 0 - 5.6-25.9 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1487 from cnoeabs.peaks (1.67, 1.72, 41.88 ppm; 2.83 A increased from 2.52 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.8-2.8 1499=98, 1500/1.8=62...(21) HD3 LYS 13 - HB2 LEU 29 far 0 98 0 - 7.7-24.5 HD2 LYS 13 - HB2 LEU 29 far 0 98 0 - 7.8-24.0 HB3 LYS 13 - HB2 LEU 29 far 0 99 0 - 9.3-26.2 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (0.88, 1.72, 41.88 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.0-2.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (0.84, 1.72, 41.88 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.0-3.0 3.1=100 QD2 LEU 64 - HB2 LEU 29 far 0 100 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (7.95, 1.58, 41.88 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.8-2.8 547=100, 1483/1.8=69...(11) H ALA 63 + HB3 LEU 62 OK 64 65 100 98 2.8-3.4 257=64, 256/1.8=48...(11) H LYS 32 - HB3 LEU 29 far 0 97 0 - 5.2-5.7 H ASP 67 - HB3 LEU 62 far 0 77 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (4.16, 1.58, 41.88 ppm; 3.41 A): 1 out of 9 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.3-2.3 3.0=100 HA ARG 84 - HB3 LEU 86 far 0 50 0 - 5.1-8.8 HA ARG 82 - HB3 LEU 86 far 0 64 0 - 5.1-15.3 HA ALA 30 - HB3 LEU 29 far 0 71 0 - 5.6-5.6 HB THR 15 - HB3 LEU 29 far 0 99 0 - 6.2-24.1 HA ALA 53 - HB3 LEU 62 far 0 98 0 - 7.8-10.1 HA ILE 89 - HB3 LEU 86 far 0 73 0 - 8.0-11.7 HB THR 15 - HB3 LEU 86 far 0 75 0 - 8.1-64.7 HA ASN 49 - HB3 LEU 62 far 0 75 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 1492 from cnoeabs.peaks (1.72, 1.58, 41.88 ppm; 2.48 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 83 - HB3 LEU 86 far 4 78 5 - 2.0-12.5 HG3 ARG 66 - HB3 LEU 62 far 0 77 0 - 3.4-5.8 HB3 ARG 17 - HB3 LEU 29 far 0 65 0 - 4.3-15.9 HB3 LYS 85 - HB3 LEU 86 far 0 76 0 - 4.3-6.9 HB2 ARG 84 - HB3 LEU 86 far 0 72 0 - 5.5-9.5 HB2 ARG 82 - HB3 LEU 86 far 0 54 0 - 7.4-15.8 HB3 LEU 64 - HB3 LEU 62 far 0 81 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. 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; 2.98 A increased from 2.65 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.9-2.9 3.0=100 HG3 ARG 66 - HB3 LEU 62 far 0 77 0 - 3.4-5.8 HB3 GLN 61 - HB3 LEU 62 far 0 89 0 - 6.2-6.7 HD2 LYS 13 - HB3 LEU 29 far 0 98 0 - 7.3-23.4 HB2 ARG 82 - HB3 LEU 86 far 0 58 0 - 7.4-15.8 HD3 LYS 13 - HB3 LEU 29 far 0 98 0 - 7.5-23.8 HB3 LEU 64 - HB3 LEU 62 far 0 72 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (0.88, 1.58, 41.88 ppm; 3.01 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.8-2.9 3.1=90, 1506/1.8=68...(21) QD1 LEU 62 + HB3 LEU 62 OK 97 97 100 100 2.8-3.1 3.1=90, 2600/3.0=40...(19) QD1 LEU 86 + HB3 LEU 86 OK 74 74 100 99 2.0-3.2 3.1=92, 2.1/3537=38...(23) QG1 VAL 90 - HB3 LEU 86 far 0 58 0 - 6.1-13.6 QG2 VAL 90 - HB3 LEU 86 far 0 59 0 - 8.2-13.6 HG LEU 51 - HB3 LEU 62 far 0 93 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (0.84, 1.58, 41.88 ppm; 3.29 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.1-2.1 3.1=100 QD2 LEU 86 + HB3 LEU 86 OK 70 70 100 100 2.0-3.2 3.1=100 QG2 ILE 89 - HB3 LEU 86 far 0 77 0 - 6.2-11.4 QD2 LEU 64 - HB3 LEU 29 far 0 100 0 - 7.4-8.0 QD2 LEU 64 - HB3 LEU 62 far 0 99 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (7.95, 1.67, 26.82 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 100 100 2.0-2.1 548=100, 547/1500=65...(10) H LYS 32 - HG LEU 29 far 0 97 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. Peak 1498 from cnoeabs.peaks (4.16, 1.67, 26.82 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 100 100 3.6-3.6 3.7=100 HA ALA 30 - HG LEU 29 far 0 71 0 - 4.4-4.6 HB THR 15 - HG LEU 29 far 0 99 0 - 8.4-25.0 Violated in 0 structures by 0.00 A. Peak 1499 from cnoeabs.peaks (1.72, 1.67, 26.82 ppm; 2.85 A increased from 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.8-2.8 1487=100, 1.8/1500=63...(21) HB3 ARG 17 - HG LEU 29 far 0 65 0 - 6.9-16.5 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (1.58, 1.67, 26.82 ppm; 2.95 A increased from 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.9-2.9 3.0=98, 1.8/1487=70...(22) Violated in 0 structures by 0.00 A. 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; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 - HG LEU 29 far 0 100 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (7.95, 0.88, 24.48 ppm; 4.00 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.6-3.7 549=100, 548/2.1=91...(11) H ALA 63 + QD1 LEU 62 OK 62 66 95 99 4.2-4.8 3.6/2600=59, 258/3.1=45...(11) H LYS 32 - QD1 LEU 29 far 0 97 0 - 5.5-5.8 H ASP 67 - QD1 LEU 62 far 0 78 0 - 8.3-8.8 H LYS 32 - QD1 LEU 62 far 0 95 0 - 9.8-11.2 H VAL 76 - QD1 LEU 86 far 0 95 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 1505 from cnoeabs.peaks (4.16, 0.88, 24.48 ppm; 3.77 A increased from 3.55 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 100 100 4.0-4.1 4.0=86, 1512/2.1=72...(21) HA ALA 30 + QD1 LEU 29 OK 69 71 100 98 3.6-3.9 3.0/84=42, 4842/2.1=34...(13) HA ARG 82 - QD1 LEU 86 far 4 85 5 - 2.1-14.4 HA ALA 53 - QD1 LEU 62 far 0 99 0 - 4.5-6.9 HA ARG 84 - QD1 LEU 86 far 0 68 0 - 5.0-8.5 HB THR 15 - QD1 LEU 29 far 0 99 0 - 5.9-21.9 HA ILE 89 - QD1 LEU 86 far 0 94 0 - 6.0-10.5 HA ASN 49 - QD1 LEU 62 far 0 76 0 - 7.2-8.8 HB THR 15 - QD1 LEU 86 far 0 96 0 - 8.1-55.8 HA GLN 91 - QD1 LEU 86 far 0 61 0 - 9.3-15.4 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (1.72, 0.88, 24.48 ppm; 2.99 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.0-2.1 3.1=89, 1487/2.1=65...(21) HB3 LYS 83 - QD1 LEU 86 far 0 98 0 - 3.3-11.6 HB3 ARG 17 - QD1 LEU 29 far 0 65 0 - 4.1-14.7 HB2 ARG 82 - QD1 LEU 86 far 0 73 0 - 4.4-14.9 HB2 ARG 84 - QD1 LEU 86 far 0 93 0 - 4.6-9.3 HB3 LYS 85 - QD1 LEU 86 far 0 96 0 - 5.6-7.6 HG3 ARG 66 - QD1 LEU 62 far 0 78 0 - 5.8-7.8 HB3 LEU 64 - QD1 LEU 62 far 0 83 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.58, 0.88, 24.48 ppm; 2.76 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 99 100 100 99 2.8-2.9 3.1=70, 1.8/1506=58...(18) HG LEU 62 + QD1 LEU 62 OK 91 91 100 100 2.1-2.1 2.1=100 HG LEU 86 + QD1 LEU 86 OK 82 82 100 100 2.1-2.1 2.1=100 HB3 LEU 86 + QD1 LEU 86 OK 64 84 80 96 2.0-3.2 3.1=71, 3537/2.1=29...(19) HB3 LEU 62 - QD1 LEU 62 far 10 97 10 - 2.8-3.1 HG3 ARG 84 - QD1 LEU 86 far 0 90 0 - 3.8-10.4 HG2 ARG 84 - QD1 LEU 86 far 0 90 0 - 4.8-10.0 HB3 LEU 51 - QD1 LEU 62 far 0 83 0 - 7.4-8.8 HG3 ARG 54 - QD1 LEU 62 far 0 99 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 1508 from cnoeabs.peaks (1.67, 0.88, 24.48 ppm; 3.06 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLN 61 - QD1 LEU 62 far 0 90 0 - 4.2-5.5 HB2 ARG 82 - QD1 LEU 86 far 0 78 0 - 4.4-14.9 HG3 ARG 66 - QD1 LEU 62 far 0 78 0 - 5.8-7.8 HD3 LYS 13 - QD1 LEU 29 far 0 98 0 - 7.5-21.3 HD2 LYS 13 - QD1 LEU 29 far 0 98 0 - 7.5-21.1 HB3 LEU 64 - QD1 LEU 62 far 0 74 0 - 7.7-8.5 HG2 ARG 23 - QD1 LEU 29 far 0 100 0 - 7.8-9.9 HB3 LYS 13 - QD1 LEU 29 far 0 99 0 - 8.5-22.8 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 86 + QD1 LEU 86 OK 91 91 100 100 1.9-2.1 2.1=100 QG2 ILE 89 - QD1 LEU 86 far 0 97 0 - 3.9-10.2 QD2 LEU 64 - QD1 LEU 29 far 0 100 0 - 6.7-7.3 QD2 LEU 64 - QD1 LEU 62 far 0 99 0 - 6.8-7.4 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 1511 from cnoeabs.peaks (7.95, 0.84, 23.57 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-2.4 550=100, 548/2.1=98...(13) H LYS 32 - QD2 LEU 29 far 0 97 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 1512 from cnoeabs.peaks (4.16, 0.84, 23.57 ppm; 3.67 A increased from 3.45 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.6-3.7 1482=91, 3.0/550=52...(28) HA ARG 84 - QD2 LEU 86 far 0 58 0 - 4.3-8.7 HA ARG 82 - QD2 LEU 86 far 0 74 0 - 4.5-13.9 HB THR 15 - QD2 LEU 29 far 0 99 0 - 5.4-19.4 HA ALA 30 - QD2 LEU 29 far 0 71 0 - 5.6-5.7 HA ILE 89 - QD2 LEU 86 far 0 83 0 - 5.6-11.5 HB THR 15 - QD2 LEU 86 far 0 85 0 - 8.5-53.7 HA GLN 91 - QD2 LEU 86 far 0 51 0 - 8.8-16.6 Violated in 0 structures by 0.00 A. Peak 1513 from cnoeabs.peaks (1.72, 0.84, 23.57 ppm; 3.36 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.0-3.0 3.1=100 HB2 ARG 84 - QD2 LEU 86 far 4 82 5 - 3.1-8.3 HB3 LYS 85 - QD2 LEU 86 far 0 85 0 - 4.2-7.3 HB3 ARG 17 - QD2 LEU 29 far 0 65 0 - 4.7-12.2 HB3 LYS 83 - QD2 LEU 86 far 0 87 0 - 4.8-11.0 HB2 ARG 82 - QD2 LEU 86 far 0 62 0 - 6.9-13.3 HB3 LEU 64 - QD2 LEU 29 far 0 85 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 1514 from cnoeabs.peaks (1.58, 0.84, 23.57 ppm; 3.46 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 3.1=100 HB3 LEU 86 + QD2 LEU 86 OK 72 72 100 100 2.0-3.2 3.1=100 HG LEU 86 + QD2 LEU 86 OK 70 70 100 100 2.1-2.1 2.1=100 HG3 ARG 84 - QD2 LEU 86 far 4 78 5 - 3.1-9.1 HG2 ARG 84 - QD2 LEU 86 far 0 78 0 - 4.1-9.7 Violated in 0 structures by 0.00 A. Peak 1515 from cnoeabs.peaks (1.67, 0.84, 23.57 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 82 - QD2 LEU 86 far 0 66 0 - 6.9-13.3 HG2 ARG 23 - QD2 LEU 29 far 0 100 0 - 7.7-9.4 HD2 LYS 13 - QD2 LEU 29 far 0 98 0 - 7.9-20.4 HD3 LYS 13 - QD2 LEU 29 far 0 98 0 - 8.2-20.6 HB3 LYS 13 - QD2 LEU 29 far 0 99 0 - 9.8-20.3 HB3 LEU 64 - QD2 LEU 29 far 0 76 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 1516 from cnoeabs.peaks (0.88, 0.84, 23.57 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 86 + QD2 LEU 86 OK 84 84 100 100 1.9-2.1 2.1=100 QG1 VAL 90 - QD2 LEU 86 far 0 66 0 - 4.9-12.6 QG2 VAL 90 - QD2 LEU 86 far 0 68 0 - 6.1-12.6 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H ALA 30 + HA ALA 30 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QB ALA 30 + HA ALA 30 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 33 - HA ALA 30 far 0 100 0 - 6.6-7.0 HG2 LYS 13 - HA ALA 30 far 0 78 0 - 9.8-28.8 HG3 LYS 13 - HA ALA 30 far 0 97 0 - 9.9-27.9 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (7.98, 1.45, 18.15 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 30 + QB ALA 30 OK 100 100 100 100 2.2-2.3 2.9=100 H ALA 63 - QB ALA 30 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (4.13, 1.45, 18.15 ppm; 2.81 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 30 + QB ALA 30 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 27 + QB ALA 30 OK 59 83 100 71 2.7-2.8 4807=47, 5386/2.9=22...(5) HA LEU 29 - QB ALA 30 far 0 71 0 - 5.0-5.0 HA ARG 23 - QB ALA 30 far 0 98 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H MET 31 + HA MET 31 OK 100 100 100 100 2.9-2.9 3.0=100 H GLN 61 - HA MET 31 far 0 71 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 MET 31 + HA MET 31 OK 100 100 100 100 3.0-3.0 3.0=100 HG13 ILE 68 - HA MET 31 far 0 96 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 1527 from cnoeabs.peaks (2.07, 4.42, 55.00 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 31 + HA MET 31 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (2.63, 4.42, 55.00 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + HA MET 31 OK 100 100 100 100 3.5-3.8 4.2=100 HG2 GLN 61 - HA MET 31 far 0 73 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (2.52, 4.42, 55.00 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 31 + HA MET 31 OK 100 100 100 100 2.3-3.2 1549=93, 1.8/1543=63...(11) HB2 GLN 61 - HA MET 31 far 0 100 0 - 6.3-7.0 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (7.71, 1.94, 32.66 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + HB2 MET 31 OK 100 100 100 100 2.3-2.6 556=100, 557/1.8=74...(14) H GLN 61 - HB2 MET 31 far 0 71 0 - 6.3-7.4 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (4.42, 1.94, 32.66 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 31 + HB2 MET 31 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 31 + HB2 MET 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 25 - HB2 MET 31 far 0 90 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (2.63, 1.94, 32.66 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + HB2 MET 31 OK 100 100 100 100 2.2-2.4 3.0=100 HG2 GLN 61 - HB2 MET 31 far 0 73 0 - 5.2-5.8 Violated in 0 structures by 0.00 A. Peak 1535 from cnoeabs.peaks (2.52, 1.94, 32.66 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 31 + HB2 MET 31 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLN 61 - HB2 MET 31 far 0 100 0 - 5.6-6.7 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (7.71, 2.07, 32.66 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * H MET 31 + HB3 MET 31 OK 100 100 100 100 3.6-3.7 4.0=100 H GLN 61 - HB3 MET 31 far 0 71 0 - 4.8-5.7 H ASN 42 - HB VAL 76 far 0 59 0 - 7.4-10.6 H GLU 50 - HB3 PRO 44 far 0 33 0 - 7.7-8.0 H ASN 42 - HB3 PRO 44 far 0 42 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 1537 from cnoeabs.peaks (4.42, 2.07, 32.66 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 31 + HB3 MET 31 OK 100 100 100 100 2.4-2.6 3.0=100 HA THR 58 - HB3 MET 31 far 0 96 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 1538 from cnoeabs.peaks (1.94, 2.07, 32.66 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * HB2 MET 31 + HB3 MET 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 41 - HB VAL 76 far 0 63 0 - 5.8-8.6 HG13 ILE 68 - HB3 MET 31 far 0 96 0 - 7.9-8.9 HB3 GLU 87 - HB3 PRO 44 far 0 23 0 - 8.1-39.4 HG LEU 57 - HB3 MET 31 far 0 85 0 - 8.3-8.8 HB3 ARG 70 - HB VAL 76 far 0 48 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (2.07, 2.07, 32.66 ppm; diagonal): 3 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 4 assignments used, quality = 1.00: * HG2 MET 31 + HB3 MET 31 OK 100 100 100 100 2.4-2.8 3.0=100 HG2 GLN 61 - HB3 MET 31 far 0 73 0 - 3.5-4.2 HB2 ASP 38 - HB VAL 76 far 0 64 0 - 8.3-14.2 HB3 ASP 38 - HB VAL 76 far 0 64 0 - 9.0-13.7 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (2.52, 2.07, 32.66 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 31 + HB3 MET 31 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 ASP 46 - HB3 PRO 44 poor 18 29 60 - 3.1-3.9 HB2 GLN 61 - HB3 MET 31 far 0 100 0 - 4.4-5.2 Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (7.71, 2.63, 32.57 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + HG2 MET 31 OK 100 100 100 100 3.2-3.9 558=94, 559/1.8=77...(16) H GLN 61 - HG2 MET 31 far 0 71 0 - 5.8-7.4 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (4.42, 2.63, 32.57 ppm; 3.96 A increased from 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 31 + HG2 MET 31 OK 100 100 100 100 3.5-3.8 4.2=85, 1529/1.8=84...(11) HA THR 58 - HG2 MET 31 far 0 96 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1544 from cnoeabs.peaks (1.94, 2.63, 32.57 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 31 + HG2 MET 31 OK 100 100 100 100 2.2-2.4 3.0=100 HG13 ILE 68 - HG2 MET 31 far 0 96 0 - 6.1-7.1 HB3 ARG 66 - HG2 MET 31 far 0 99 0 - 9.4-10.4 HG LEU 57 - HG2 MET 31 far 0 85 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1545 from cnoeabs.peaks (2.07, 2.63, 32.57 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 31 + HG2 MET 31 OK 100 100 100 100 2.4-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 MET 31 + HG2 MET 31 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 61 - HG2 MET 31 far 0 100 0 - 5.9-7.4 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (7.71, 2.52, 32.57 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + HG3 MET 31 OK 100 100 100 100 2.3-3.2 559=100, 1542/1.8=78...(15) H GLN 61 - HG3 MET 31 far 0 71 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (4.42, 2.52, 32.57 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 31 + HG3 MET 31 OK 100 100 100 100 2.3-3.2 1529=100, 1543/1.8=66...(11) Violated in 0 structures by 0.00 A. Peak 1550 from cnoeabs.peaks (1.94, 2.52, 32.57 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HB2 MET 31 + HG3 MET 31 OK 100 100 100 100 2.4-2.9 3.0=100 HG13 ILE 68 - HG3 MET 31 far 0 96 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (2.07, 2.52, 32.57 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 31 + HG3 MET 31 OK 100 100 100 100 2.8-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (2.63, 2.52, 32.57 ppm; 2.54 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 31 + HG3 MET 31 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 61 - HG3 MET 31 far 0 73 0 - 5.6-6.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 32 + HA LYS 32 OK 100 100 100 100 2.3-2.3 3.0=100 H LEU 29 - HA LYS 32 far 0 97 0 - 5.5-5.8 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: HB3 LYS 32 + HA LYS 32 OK 100 100 100 100 2.4-2.4 3.0=100 * HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 4.8-19.2 HB ILE 33 - HA LYS 32 far 0 100 0 - 5.1-5.3 HB2 LYS 13 - HA LYS 32 far 0 90 0 - 6.3-23.3 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 7.1-8.3 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (1.77, 3.98, 56.13 ppm; 3.15 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 32 + HA LYS 32 OK 100 100 100 100 2.4-2.4 3.0=100 HB2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 17 - HA LYS 32 far 0 57 0 - 4.8-19.2 HB ILE 33 - HA LYS 32 far 0 100 0 - 5.1-5.3 HB2 LYS 13 - HA LYS 32 far 0 90 0 - 6.3-23.3 HB2 PRO 34 - HA LYS 32 far 0 99 0 - 7.1-8.3 HG2 PRO 34 - HA LYS 32 far 0 93 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (1.28, 3.98, 56.13 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 32 + HA LYS 32 OK 100 100 100 100 2.6-3.1 3.9=81, 1.8/1559=70...(30) QG2 THR 58 - HA LYS 32 far 0 60 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (1.33, 3.98, 56.13 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 32 + HA LYS 32 OK 100 100 100 100 2.8-3.7 1595=92, 1.8/1558=76...(30) QB ALA 28 - HA LYS 32 far 0 97 0 - 5.2-5.5 QB ALA 12 - HA LYS 32 far 0 100 0 - 8.5-23.8 QG2 THR 58 - HA LYS 32 far 0 90 0 - 8.8-9.7 Violated in 1 structures by 0.00 A. Peak 1560 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.75 A increased from 4.47 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.8-4.8 3.0/1558=85, 3.0/1559=83...(44) HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-4.9 3.0/1558=85, 3.0/1559=83...(45) HG3 ARG 17 - HA LYS 32 far 0 98 0 - 5.1-20.6 HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.3-18.9 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (1.61, 3.98, 56.13 ppm; 4.75 A increased from 4.47 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 32 + HA LYS 32 OK 100 100 100 100 3.4-4.9 3.0/1558=85, 3.0/1559=83...(45) HD2 LYS 32 + HA LYS 32 OK 100 100 100 100 3.8-4.8 3.0/1558=85, 3.0/1559=83...(44) HG3 ARG 17 - HA LYS 32 far 0 99 0 - 5.1-20.6 HG2 ARG 17 - HA LYS 32 far 0 99 0 - 6.3-18.9 Violated in 0 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (7.94, 1.77, 30.20 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.6-3.7 4.0=100 H LYS 32 + HB3 LYS 32 OK 100 100 100 100 4.0-4.0 4.0=100 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.9-8.2 H LEU 29 - HB2 LYS 32 far 0 97 0 - 8.1-8.3 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.4-2.4 3.0=100 * HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.7-7.6 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 7.1-8.3 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 7.2-7.7 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.8-8.2 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 8.3-9.1 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 5 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): 5 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 7 assignments used, quality = 1.00: * HG2 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.7-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 0 60 0 - 6.3-7.2 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 7.4-8.4 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 9.0-10.7 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 9.2-10.6 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1569 from cnoeabs.peaks (1.33, 1.77, 30.20 ppm; 3.61 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 0 90 0 - 6.3-7.2 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 7.1-7.3 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 7.1-24.5 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 7.1-7.3 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 7.4-8.4 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 7.4-24.8 QB ALA 12 - HB2 PRO 34 far 0 64 0 - 7.6-26.8 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.9-8.7 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.6-10.7 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 9.2-10.6 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 9.4-11.1 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1570 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 23 assignments used, quality = 0.99: HD3 LYS 32 + HB3 LYS 32 OK 66 100 70 95 2.2-3.7 3.5=57, ~1558=11...(47) HD2 LYS 32 + HB3 LYS 32 OK 57 100 60 95 2.1-3.9 3.5=57, ~1558=11...(46) HD3 LYS 32 + HB2 LYS 32 OK 57 100 60 95 2.0-4.0 3.5=57, ~1558=11...(46) * HD2 LYS 32 + HB2 LYS 32 OK 57 100 60 94 2.0-3.8 3.5=57, ~1558=11...(45) HG2 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 37 38 100 99 2.5-3.0 3.0=93, 2876/1.8=23...(35) HG3 ARG 84 - HB3 ARG 82 far 0 65 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 65 0 - 4.3-9.7 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 5.3-9.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 5.5-16.8 HG LEU 86 - HB3 ARG 84 far 0 43 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 6.3-22.4 HG LEU 86 - HB3 ARG 82 far 0 73 0 - 6.5-17.1 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.4-20.6 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 7.5-10.2 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 7.9-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.7-21.5 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1571 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 22 assignments used, quality = 0.99: HD3 LYS 32 + HB3 LYS 32 OK 66 100 70 95 2.2-3.7 3.5=57, ~1558=11...(47) * HD3 LYS 32 + HB2 LYS 32 OK 57 100 60 95 2.0-4.0 3.5=57, ~1558=11...(46) HD2 LYS 32 + HB3 LYS 32 OK 57 100 60 95 2.1-3.9 3.5=57, ~1558=11...(46) HD2 LYS 32 + HB2 LYS 32 OK 57 100 60 94 2.0-3.8 3.5=57, ~1558=11...(45) HG2 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.5-3.0 3.0=93, 2876/1.8=23...(35) HG3 ARG 84 - HB3 ARG 82 far 0 62 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 62 0 - 4.3-9.7 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 5.3-9.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 5.5-16.8 HG LEU 86 - HB3 ARG 84 far 0 41 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.3-22.4 HG LEU 86 - HB3 ARG 82 far 0 70 0 - 6.5-17.1 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.4-20.6 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 7.9-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.7-21.5 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1574 from cnoeabs.peaks (7.94, 1.77, 30.20 ppm; 4.43 A): 2 out of 5 assignments used, quality = 1.00: H LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.6-3.7 4.0=100 * H LYS 32 + HB3 LYS 32 OK 100 100 100 100 4.0-4.0 4.0=100 H LEU 29 - HB3 LYS 32 far 0 97 0 - 7.9-8.2 H LEU 29 - HB2 LYS 32 far 0 97 0 - 8.1-8.3 H LYS 32 - HB2 PRO 34 far 0 65 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 1575 from cnoeabs.peaks (3.98, 1.77, 30.20 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.4-2.4 3.0=100 HA LYS 32 + HB2 LYS 32 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 61 - HB2 LYS 32 far 0 96 0 - 6.7-7.6 HA LYS 32 - HB2 PRO 34 far 0 65 0 - 7.1-8.3 HA ALA 28 - HB2 LYS 32 far 0 85 0 - 7.2-7.7 HA ALA 28 - HB3 LYS 32 far 0 85 0 - 7.8-8.2 HA GLN 61 - HB3 LYS 32 far 0 96 0 - 8.3-9.1 HA ALA 28 - HB2 PRO 34 far 0 48 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1576 from cnoeabs.peaks (1.77, 1.77, 30.20 ppm; diagonal): 5 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): 5 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 7 assignments used, quality = 1.00: HG2 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.5-3.0 2.9=100 * HG2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.7-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 0 60 0 - 6.3-7.2 QG2 THR 58 - HB3 LYS 32 far 0 60 0 - 7.4-8.4 HG2 LYS 32 - HB2 PRO 34 far 0 65 0 - 9.0-10.7 QG2 THR 58 - HB2 PRO 34 far 0 32 0 - 9.2-10.6 HG2 ARG 54 - HB2 PRO 34 far 0 42 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1579 from cnoeabs.peaks (1.33, 1.77, 30.20 ppm; 3.61 A): 2 out of 14 assignments used, quality = 1.00: HG3 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-3.0 2.9=100 QG2 THR 58 - HB2 LYS 32 far 0 90 0 - 6.3-7.2 QB ALA 28 - HB3 LYS 32 far 0 97 0 - 7.1-7.3 QB ALA 12 - HB3 LYS 32 far 0 100 0 - 7.1-24.5 QB ALA 28 - HB2 LYS 32 far 0 97 0 - 7.1-7.3 QG2 THR 58 - HB3 LYS 32 far 0 90 0 - 7.4-8.4 QB ALA 12 - HB2 LYS 32 far 0 100 0 - 7.4-24.8 QB ALA 12 - HB2 PRO 34 far 0 64 0 - 7.6-26.8 QB ALA 28 - HB2 PRO 34 far 0 60 0 - 7.9-8.7 HG3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.6-10.7 QG2 THR 58 - HB2 PRO 34 far 0 53 0 - 9.2-10.6 HB2 LEU 51 - HB2 PRO 34 far 0 62 0 - 9.4-11.1 HG2 ARG 54 - HB2 PRO 34 far 0 44 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 23 assignments used, quality = 0.99: HD3 LYS 32 + HB3 LYS 32 OK 66 100 70 95 2.2-3.7 3.5=57, ~1558=11...(47) * HD2 LYS 32 + HB3 LYS 32 OK 57 100 60 95 2.1-3.9 3.5=57, ~1558=11...(46) HD3 LYS 32 + HB2 LYS 32 OK 57 100 60 95 2.0-4.0 3.5=57, ~1558=11...(46) HD2 LYS 32 + HB2 LYS 32 OK 57 100 60 94 2.0-3.8 3.5=57, ~1558=11...(45) HG2 ARG 84 + HB3 ARG 84 OK 38 38 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 37 38 100 99 2.5-3.0 3.0=93, 2876/1.8=23...(35) HG3 ARG 84 - HB3 ARG 82 far 0 65 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 65 0 - 4.3-9.7 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 5.3-9.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 5.5-16.8 HG LEU 86 - HB3 ARG 84 far 0 43 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 98 0 - 6.3-22.4 HG LEU 86 - HB3 ARG 82 far 0 73 0 - 6.5-17.1 HG2 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 61 0 - 7.4-20.6 HD3 LYS 39 - HB2 PRO 34 far 0 33 0 - 7.5-10.2 HG3 ARG 17 - HB2 LYS 32 far 0 98 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 35 0 - 7.9-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.7-21.5 HB3 LEU 51 - HB2 PRO 34 far 0 59 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (1.61, 1.77, 30.20 ppm; 2.88 A): 6 out of 22 assignments used, quality = 0.99: * HD3 LYS 32 + HB3 LYS 32 OK 66 100 70 95 2.2-3.7 3.5=57, ~1558=11...(47) HD3 LYS 32 + HB2 LYS 32 OK 57 100 60 95 2.0-4.0 3.5=57, ~1558=11...(46) HD2 LYS 32 + HB3 LYS 32 OK 57 100 60 95 2.1-3.9 3.5=57, ~1558=11...(46) HD2 LYS 32 + HB2 LYS 32 OK 57 100 60 94 2.0-3.8 3.5=57, ~1558=11...(45) HG2 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.3-3.0 3.0=93, 1.8/3394=21...(38) HG3 ARG 84 + HB3 ARG 84 OK 35 36 100 99 2.5-3.0 3.0=93, 2876/1.8=23...(35) HG3 ARG 84 - HB3 ARG 82 far 0 62 0 - 3.5-10.7 HG2 ARG 84 - HB3 ARG 82 far 0 62 0 - 4.3-9.7 HB2 LEU 86 - HB3 ARG 84 far 0 48 0 - 5.3-9.6 HB2 LEU 86 - HB3 ARG 82 far 0 80 0 - 5.5-16.8 HG LEU 86 - HB3 ARG 84 far 0 41 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 99 0 - 6.3-22.4 HG LEU 86 - HB3 ARG 82 far 0 70 0 - 6.5-17.1 HG2 ARG 17 - HB2 PRO 34 far 0 63 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 99 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.4-20.6 HG3 ARG 17 - HB2 LYS 32 far 0 99 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 32 0 - 7.9-11.7 HD3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 64 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 99 0 - 8.7-21.5 HB3 LEU 51 - HB2 PRO 34 far 0 57 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (7.94, 1.28, 24.60 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.6-2.8 564=100, 565/1.8=77...(16) H LEU 29 - HG2 LYS 32 far 0 97 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 1585 from cnoeabs.peaks (3.98, 1.28, 24.60 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.6-3.1 3.9=100 HA ALA 28 - HG2 LYS 32 far 0 85 0 - 7.1-7.4 HA GLN 61 - HG2 LYS 32 far 0 96 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 1586 from cnoeabs.peaks (1.77, 1.28, 24.60 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 7.0-21.6 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 7.5-7.6 HB2 LYS 13 - HG2 LYS 32 far 0 90 0 - 8.4-26.0 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 9.0-10.7 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1587 from cnoeabs.peaks (1.77, 1.28, 24.60 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.5-3.0 2.9=100 * HB3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 ARG 17 - HG2 LYS 32 far 0 57 0 - 7.0-21.6 HB ILE 33 - HG2 LYS 32 far 0 100 0 - 7.5-7.6 HB2 LYS 13 - HG2 LYS 32 far 0 90 0 - 8.4-26.0 HB2 PRO 34 - HG2 LYS 32 far 0 99 0 - 9.0-10.7 HG2 PRO 34 - HG2 LYS 32 far 0 93 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 28 - HG2 LYS 32 far 0 97 0 - 6.8-7.2 QB ALA 12 - HG2 LYS 32 far 0 100 0 - 7.3-26.0 QG2 THR 58 - HG2 LYS 32 far 0 90 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 1590 from cnoeabs.peaks (1.61, 1.28, 24.60 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 17 - HG2 LYS 32 far 0 98 0 - 6.3-23.1 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 7.8-21.5 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (1.61, 1.28, 24.60 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 17 - HG2 LYS 32 far 0 99 0 - 6.3-23.1 HG2 ARG 17 - HG2 LYS 32 far 0 99 0 - 7.8-21.5 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (2.95, 1.28, 24.60 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.3-4.1 3.9=100 HE3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-4.1 3.9=100 HE3 LYS 13 - HG2 LYS 32 far 0 95 0 - 4.9-27.0 HE2 LYS 13 - HG2 LYS 32 far 0 93 0 - 5.4-25.4 Violated in 0 structures by 0.00 A. Peak 1593 from cnoeabs.peaks (2.95, 1.28, 24.60 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.2-4.1 3.9=100 HE2 LYS 32 + HG2 LYS 32 OK 100 100 100 100 2.3-4.1 3.9=100 HE3 LYS 13 - HG2 LYS 32 far 0 96 0 - 4.9-27.0 HE2 LYS 13 - HG2 LYS 32 far 0 95 0 - 5.4-25.4 Violated in 0 structures by 0.00 A. Peak 1594 from cnoeabs.peaks (7.94, 1.33, 24.60 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 32 + HG3 LYS 32 OK 100 100 100 100 3.5-3.9 565=100, 564/1.8=84...(14) H LEU 29 - HG3 LYS 32 far 0 97 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (3.98, 1.33, 24.60 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.8-3.7 1559=100, 1558/1.8=79...(30) HA GLN 61 - HG3 LYS 32 far 0 96 0 - 7.6-10.0 HA ALA 28 - HG3 LYS 32 far 0 85 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (1.77, 1.33, 24.60 ppm; 3.21 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 13 - HG3 LYS 32 far 0 90 0 - 7.1-26.0 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.9-8.2 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 8.3-21.8 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 8.6-10.7 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 1597 from cnoeabs.peaks (1.77, 1.33, 24.60 ppm; 3.21 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-3.0 2.9=100 * HB3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 13 - HG3 LYS 32 far 0 90 0 - 7.1-26.0 HB ILE 33 - HG3 LYS 32 far 0 100 0 - 7.9-8.2 HB3 ARG 17 - HG3 LYS 32 far 0 57 0 - 8.3-21.8 HB2 PRO 34 - HG3 LYS 32 far 0 99 0 - 8.6-10.7 HG2 PRO 34 - HG3 LYS 32 far 0 93 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 1598 from cnoeabs.peaks (1.28, 1.33, 24.60 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 58 - HG3 LYS 32 far 0 60 0 - 7.0-9.3 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HD2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 17 - HG3 LYS 32 far 0 99 0 - 7.5-21.5 HG3 ARG 17 - HG3 LYS 32 far 0 98 0 - 7.9-23.2 Violated in 0 structures by 0.00 A. Peak 1601 from cnoeabs.peaks (1.61, 1.33, 24.60 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 17 - HG3 LYS 32 far 0 99 0 - 7.5-21.5 HG3 ARG 17 - HG3 LYS 32 far 0 99 0 - 7.9-23.2 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (2.95, 1.33, 24.60 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-4.2 3.9=100 HE3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.1-4.2 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 5 95 5 - 4.0-27.1 HE2 LYS 13 - HG3 LYS 32 far 5 93 5 - 3.7-25.5 Violated in 0 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (2.95, 1.33, 24.60 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.1-4.2 3.9=100 HE2 LYS 32 + HG3 LYS 32 OK 100 100 100 100 2.2-4.2 3.9=100 HE3 LYS 13 - HG3 LYS 32 far 5 96 5 - 4.0-27.1 HE2 LYS 13 - HG3 LYS 32 far 5 95 5 - 3.7-25.5 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 5.43 A increased from 4.83 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 32 + HD2 LYS 32 OK 100 100 100 100 4.4-5.5 564/3.0=92, 565/3.0=89...(18) H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.8-5.5 564/3.0=92, 565/3.0=89...(17) H ARG 70 + HG2 ARG 71 OK 47 91 60 85 4.2-6.8 303/2920=74...(5) H VAL 76 - HD2 LYS 73 poor 17 85 20 - 4.8-7.8 H VAL 76 - HD3 LYS 73 poor 16 85 35 54 4.3-8.0 5431/5.2=47, 3.9/5170=9 H ARG 70 - HD3 LYS 73 far 5 96 5 - 5.3-9.7 H ASP 67 - HG2 ARG 71 far 0 94 0 - 6.0-8.4 H ARG 70 - HD2 LYS 73 far 0 96 0 - 6.1-9.1 H VAL 76 - HG2 ARG 71 far 0 80 0 - 7.8-11.3 H LEU 29 - HD3 LYS 32 far 0 96 0 - 8.5-10.0 H LEU 29 - HD2 LYS 32 far 0 97 0 - 8.8-10.0 H ASP 67 - HD3 LYS 73 far 0 97 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.92 A increased from 4.37 A): 2 out of 17 assignments used, quality = 1.00: * HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.8-4.8 5.1=90, 1558/3.0=88...(44) HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-4.9 5.1=90, 1558/3.0=88...(45) HA ARG 70 - HD3 LYS 73 poor 18 71 35 72 2.9-7.9 5061/3.5=31, 5987/6.1=29...(5) HA ARG 70 - HD2 LYS 73 poor 18 71 35 72 4.0-7.1 5061/3.5=31, 5987/6.1=29...(5) HA2 GLY 72 - HG2 ARG 71 poor 18 89 20 - 3.7-7.0 HA2 GLY 72 - HD3 LYS 73 far 5 93 5 - 5.2-8.6 HA ARG 70 - HG2 ARG 71 far 3 66 5 - 5.1-7.7 HA VAL 76 - HD3 LYS 73 far 0 98 0 - 5.7-9.6 HA VAL 76 - HD2 LYS 73 far 0 98 0 - 6.3-10.0 HA2 GLY 72 - HD2 LYS 73 far 0 93 0 - 6.7-8.5 HA GLN 61 - HD2 LYS 32 far 0 96 0 - 7.3-10.4 HA ARG 66 - HG2 ARG 71 far 0 98 0 - 7.6-10.0 HA GLN 61 - HD3 LYS 32 far 0 95 0 - 8.0-10.5 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.2-13.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.4-13.1 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.6-9.8 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1606 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 8 out of 41 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD2 LYS 73 OK 62 100 80 78 2.2-4.2 3.5=45, 3.0/3009=10...(20) * HB2 LYS 32 + HD2 LYS 32 OK 50 100 55 91 2.0-3.8 3.5=47, 1.8/1581=11...(36) HB3 LYS 32 + HD3 LYS 32 OK 50 100 55 91 2.2-3.7 3.5=47, 1.8/1581=11...(38) HB3 LYS 39 + HD3 LYS 39 OK 49 59 100 83 2.1-2.6 3.5=45, 2.9/1868=13...(20) HB3 LYS 73 + HD3 LYS 73 OK 46 100 60 76 2.1-3.6 3.5=45, 3.0/3009=10...(18) HB2 LYS 32 + HD3 LYS 32 OK 41 100 45 91 2.0-4.0 3.5=47, 1.8/1581=13...(36) HB3 LYS 32 + HD2 LYS 32 OK 37 100 40 91 2.1-3.9 3.5=47, 1581/1.8=13...(38) HB3 LYS 39 - HD2 LYS 39 poor 12 61 20 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 93 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 7.1-11.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.1-23.6 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 8.1-9.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 8.4-30.7 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 8.5-9.8 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 8.5-10.7 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 8.5-23.8 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 53 0 - 9.5-31.9 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 9.7-21.4 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 8 out of 41 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 73 73 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD2 LYS 73 OK 62 100 80 78 2.2-4.2 3.5=45, 3.0/3009=10...(20) HB2 LYS 32 + HD2 LYS 32 OK 50 100 55 91 2.0-3.8 3.5=47, 1.8/1581=11...(36) HB3 LYS 32 + HD3 LYS 32 OK 50 100 55 91 2.2-3.7 3.5=47, 1.8/1581=11...(38) HB3 LYS 39 + HD3 LYS 39 OK 49 59 100 83 2.1-2.6 3.5=45, 2.9/1868=13...(20) HB3 LYS 73 + HD3 LYS 73 OK 46 100 60 76 2.1-3.6 3.5=45, 3.0/3009=10...(18) HB2 LYS 32 + HD3 LYS 32 OK 41 100 45 91 2.0-4.0 3.5=47, 1.8/1581=13...(36) * HB3 LYS 32 + HD2 LYS 32 OK 37 100 40 91 2.1-3.9 3.5=47, 1581/1.8=13...(38) HB3 LYS 39 - HD2 LYS 39 poor 12 61 20 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 89 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 56 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 93 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 54 0 - 7.1-11.3 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.1-23.6 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 97 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 56 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 62 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 61 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 64 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 62 0 - 8.1-9.5 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 51 0 - 8.4-30.7 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 8.5-9.8 HB2 ARG 54 - HD3 LYS 39 far 0 60 0 - 8.5-10.7 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 8.5-23.8 HB ILE 33 - HD2 LYS 39 far 0 64 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 53 0 - 9.5-31.9 HB3 ARG 17 - HD3 LYS 39 far 0 29 0 - 9.7-21.4 HB2 ARG 69 - HD2 LYS 39 far 0 32 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1608 from cnoeabs.peaks (1.28, 1.61, 28.78 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 58 - HD2 LYS 32 far 0 60 0 - 6.0-8.9 QG2 THR 58 - HD3 LYS 32 far 0 60 0 - 6.4-9.5 HG2 ARG 54 - HD2 LYS 39 far 0 42 0 - 8.0-11.4 HG2 ARG 54 - HD3 LYS 39 far 0 40 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1609 from cnoeabs.peaks (1.33, 1.61, 28.78 ppm; 4.25 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HD2 LYS 39 far 0 63 0 - 4.6-7.7 QB ALA 12 - HD3 LYS 32 far 0 100 0 - 4.9-26.5 QB ALA 12 - HD2 LYS 32 far 0 100 0 - 5.9-27.4 QG2 THR 58 - HD2 LYS 32 far 0 90 0 - 6.0-8.9 HB2 LEU 51 - HD3 LYS 39 far 0 60 0 - 6.1-8.2 QG2 THR 58 - HD3 LYS 32 far 0 90 0 - 6.4-9.5 HG2 ARG 54 - HD2 LYS 39 far 0 44 0 - 8.0-11.4 QB ALA 28 - HD3 LYS 39 far 0 58 0 - 8.2-9.4 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 8.2-9.2 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 8.4-9.2 QB ALA 28 - HG2 ARG 71 far 0 94 0 - 8.5-11.9 QB ALA 28 - HD2 LYS 39 far 0 61 0 - 9.0-10.7 HG2 ARG 54 - HD3 LYS 39 far 0 42 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 1610 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 7 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): 6 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): 12 out of 31 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 * HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1613 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 12 out of 31 assignments used, quality = 1.00: * HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 40 40 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 94 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 95 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 96 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 96 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 71 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 71 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 55 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 56 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 52 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 55 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 57 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 58 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1614 from cnoeabs.peaks (7.94, 1.61, 28.78 ppm; 5.43 A increased from 4.83 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 32 + HD3 LYS 32 OK 100 100 100 100 4.8-5.5 564/3.0=92, 565/3.0=89...(17) H LYS 32 + HD2 LYS 32 OK 100 100 100 100 4.4-5.5 564/3.0=92, 565/3.0=89...(18) H ARG 70 + HG2 ARG 71 OK 48 93 60 86 4.2-6.8 303/2920=76...(5) H VAL 76 - HD2 LYS 73 poor 17 85 20 - 4.8-7.8 H VAL 76 - HD3 LYS 73 poor 16 85 35 54 4.3-8.0 5431/5.2=47, 3.9/5170=9 H ARG 70 - HD3 LYS 73 far 5 95 5 - 5.3-9.7 H ASP 67 - HG2 ARG 71 far 0 95 0 - 6.0-8.4 H ARG 70 - HD2 LYS 73 far 0 95 0 - 6.1-9.1 H VAL 76 - HG2 ARG 71 far 0 82 0 - 7.8-11.3 H LEU 29 - HD3 LYS 32 far 0 97 0 - 8.5-10.0 H LEU 29 - HD2 LYS 32 far 0 96 0 - 8.8-10.0 H ASP 67 - HD3 LYS 73 far 0 97 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (3.98, 1.61, 28.78 ppm; 4.92 A increased from 4.37 A): 2 out of 17 assignments used, quality = 1.00: * HA LYS 32 + HD3 LYS 32 OK 100 100 100 100 3.4-4.9 5.1=90, 1558/3.0=88...(45) HA LYS 32 + HD2 LYS 32 OK 100 100 100 100 3.8-4.8 5.1=90, 1558/3.0=88...(44) HA2 GLY 72 - HG2 ARG 71 poor 18 90 20 - 3.7-7.0 HA ARG 70 - HD3 LYS 73 poor 18 71 35 72 2.9-7.9 5061/3.5=31, 5987/6.1=29...(5) HA ARG 70 - HD2 LYS 73 poor 18 71 35 72 4.0-7.1 5061/3.5=31, 5987/6.1=29...(5) HA2 GLY 72 - HD3 LYS 73 far 5 93 5 - 5.2-8.6 HA ARG 70 - HG2 ARG 71 far 3 68 5 - 5.1-7.7 HA VAL 76 - HD3 LYS 73 far 0 98 0 - 5.7-9.6 HA VAL 76 - HD2 LYS 73 far 0 98 0 - 6.3-10.0 HA2 GLY 72 - HD2 LYS 73 far 0 93 0 - 6.7-8.5 HA GLN 61 - HD2 LYS 32 far 0 95 0 - 7.3-10.4 HA ARG 66 - HG2 ARG 71 far 0 99 0 - 7.6-10.0 HA GLN 61 - HD3 LYS 32 far 0 96 0 - 8.0-10.5 HA ARG 66 - HD3 LYS 73 far 0 100 0 - 8.2-13.2 HA ARG 66 - HD2 LYS 73 far 0 100 0 - 8.4-13.1 HA ALA 28 - HD2 LYS 32 far 0 85 0 - 8.6-9.8 HA ALA 28 - HD3 LYS 32 far 0 85 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 7 out of 34 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD2 LYS 73 OK 62 100 80 78 2.2-4.2 3.5=45, 3.0/3009=10...(20) HB2 LYS 32 + HD2 LYS 32 OK 50 100 55 91 2.0-3.8 3.5=47, 1.8/1581=11...(36) HB3 LYS 32 + HD3 LYS 32 OK 50 100 55 91 2.2-3.7 3.5=47, 1.8/1581=11...(38) HB3 LYS 73 + HD3 LYS 73 OK 46 100 60 76 2.1-3.6 3.5=45, 3.0/3009=10...(18) * HB2 LYS 32 + HD3 LYS 32 OK 41 100 45 91 2.0-4.0 3.5=47, 1.8/1581=13...(36) HB3 LYS 32 + HD2 LYS 32 OK 37 100 40 91 2.1-3.9 3.5=47, 1581/1.8=13...(38) HB3 LYS 39 - HD2 LYS 39 poor 11 56 20 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 93 0 - 6.7-9.8 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.1-23.6 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 7.4-10.7 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 7.9-11.7 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 8.2-11.7 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 8.5-9.8 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 8.5-23.8 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 49 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1617 from cnoeabs.peaks (1.77, 1.61, 28.78 ppm; 2.70 A): 7 out of 34 assignments used, quality = 1.00: HG3 ARG 71 + HG2 ARG 71 OK 75 75 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HD2 LYS 73 OK 62 100 80 78 2.2-4.2 3.5=45, 3.0/3009=10...(20) HB2 LYS 32 + HD2 LYS 32 OK 50 100 55 91 2.0-3.8 3.5=47, 1.8/1581=11...(36) * HB3 LYS 32 + HD3 LYS 32 OK 50 100 55 91 2.2-3.7 3.5=47, 1.8/1581=11...(38) HB3 LYS 73 + HD3 LYS 73 OK 46 100 60 76 2.1-3.6 3.5=45, 3.0/3009=10...(18) HB2 LYS 32 + HD3 LYS 32 OK 41 100 45 91 2.0-4.0 3.5=47, 1.8/1581=13...(36) HB3 LYS 32 + HD2 LYS 32 OK 37 100 40 91 2.1-3.9 3.5=47, 1581/1.8=13...(38) HB3 LYS 39 - HD2 LYS 39 poor 11 56 20 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 90 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 60 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 60 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 57 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 93 0 - 6.7-9.8 HB3 ARG 17 - HD3 LYS 32 far 0 57 0 - 7.1-23.6 HB3 LYS 75 - HD3 LYS 73 far 0 93 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 51 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 90 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 57 0 - 7.4-10.7 HB2 LYS 13 - HD2 LYS 32 far 0 90 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 58 0 - 7.9-11.7 HB2 PRO 34 - HD3 LYS 32 far 0 99 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 99 0 - 8.2-11.7 HB ILE 33 - HD3 LYS 32 far 0 100 0 - 8.5-9.8 HB3 ARG 17 - HD2 LYS 32 far 0 57 0 - 8.5-23.8 HB ILE 33 - HD2 LYS 39 far 0 59 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 100 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 93 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 93 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 78 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 99 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 78 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 49 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 29 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (1.28, 1.61, 28.78 ppm; 4.28 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.2-3.0 3.0=100 QG2 THR 58 - HD2 LYS 32 far 0 60 0 - 6.0-8.9 QG2 THR 58 - HD3 LYS 32 far 0 60 0 - 6.4-9.5 HG2 ARG 54 - HD2 LYS 39 far 0 38 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 1619 from cnoeabs.peaks (1.33, 1.61, 28.78 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HD2 LYS 39 far 0 58 0 - 4.6-7.7 QB ALA 12 - HD3 LYS 32 far 0 100 0 - 4.9-26.5 QB ALA 12 - HD2 LYS 32 far 0 100 0 - 5.9-27.4 QG2 THR 58 - HD2 LYS 32 far 0 90 0 - 6.0-8.9 QG2 THR 58 - HD3 LYS 32 far 0 90 0 - 6.4-9.5 HG2 ARG 54 - HD2 LYS 39 far 0 40 0 - 8.0-11.4 QB ALA 28 - HD3 LYS 32 far 0 97 0 - 8.2-9.2 QB ALA 28 - HD2 LYS 32 far 0 97 0 - 8.4-9.2 QB ALA 28 - HG2 ARG 71 far 0 95 0 - 8.5-11.9 QB ALA 28 - HD2 LYS 39 far 0 55 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 1620 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 6 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): 6 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): 10 out of 26 assignments used, quality = 1.00: * HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 34 34 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 95 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 94 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 97 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 51 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.2-14.2 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HE2 LYS 13 - HD2 LYS 39 far 0 51 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 52 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 3.10 A): 10 out of 26 assignments used, quality = 1.00: * HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 38 38 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 35 35 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 95 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 96 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 94 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 97 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 98 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 71 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 99 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 71 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 50 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 99 0 - 9.2-14.2 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HE2 LYS 13 - HD2 LYS 39 far 0 52 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 53 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 4.45 A increased from 3.56 A): 12 out of 59 assignments used, quality = 1.00: * HB2 LYS 32 + HE2 LYS 32 OK 95 100 95 100 2.0-4.8 4.6=93, 2.9/1628=40...(43) HB2 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.6-5.1 4.6=93, 2.9/1629=38...(43) HB3 LYS 73 + HE3 LYS 73 OK 94 100 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 73 + HE2 LYS 73 OK 94 100 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB3 LYS 75 + HE2 LYS 75 OK 84 90 95 98 2.2-5.4 5.0=72, 3.0/3075=23...(22) HB3 LYS 75 + HE3 LYS 75 OK 81 91 90 99 2.1-5.5 5.0=72, 3.0/3075=21...(22) HB3 LYS 32 + HE3 LYS 32 OK 80 100 80 100 2.3-5.1 4.6=93, 2.9/1629=38...(43) HB3 LYS 32 + HE2 LYS 32 OK 80 100 80 100 3.3-5.1 4.6=93, 2.9/1628=40...(43) HB3 LYS 39 + HE2 LYS 39 OK 69 69 100 100 2.3-4.5 4.7=86, ~1884=31...(22) HB2 LYS 13 + HE3 LYS 13 OK 68 78 90 97 2.2-5.5 5.2=62, 3.0/1038=22...(21) HB2 LYS 13 + HE2 LYS 13 OK 67 76 90 97 2.7-5.4 5.2=62, 3.0/1038=21...(21) HB3 LYS 39 + HE3 LYS 39 OK 64 64 100 99 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 32 - HE2 LYS 13 far 9 90 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 5 91 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 90 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 89 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 75 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 89 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 7.7-13.6 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 7.8-25.2 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 81 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 93 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 88 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 60 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 8.2-12.4 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 8.3-23.9 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 80 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 56 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 86 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 9.2-21.8 HB3 ARG 17 - HE2 LYS 13 far 0 46 0 - 9.3-17.7 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 60 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 87 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 87 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 4.45 A increased from 3.56 A): 12 out of 59 assignments used, quality = 1.00: HB2 LYS 32 + HE2 LYS 32 OK 95 100 95 100 2.0-4.8 4.6=93, 2.9/1628=40...(43) HB2 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.6-5.1 4.6=93, 2.9/1629=38...(43) HB3 LYS 73 + HE3 LYS 73 OK 94 100 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 73 + HE2 LYS 73 OK 94 100 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB3 LYS 75 + HE2 LYS 75 OK 84 90 95 98 2.2-5.4 5.0=72, 3.0/3075=23...(22) HB3 LYS 75 + HE3 LYS 75 OK 81 91 90 99 2.1-5.5 5.0=72, 3.0/3075=21...(22) HB3 LYS 32 + HE3 LYS 32 OK 80 100 80 100 2.3-5.1 4.6=93, 2.9/1629=38...(43) * HB3 LYS 32 + HE2 LYS 32 OK 80 100 80 100 3.3-5.1 4.6=93, 2.9/1628=40...(43) HB3 LYS 39 + HE2 LYS 39 OK 69 69 100 100 2.3-4.5 4.7=86, ~1884=31...(22) HB2 LYS 13 + HE3 LYS 13 OK 68 78 90 97 2.2-5.5 5.2=62, 3.0/1038=22...(21) HB2 LYS 13 + HE2 LYS 13 OK 67 76 90 97 2.7-5.4 5.2=62, 3.0/1038=21...(21) HB3 LYS 39 + HE3 LYS 39 OK 64 64 100 99 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 32 - HE2 LYS 13 far 9 90 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 5 91 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 90 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 65 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 63 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 70 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 89 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 75 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 59 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 89 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 7.7-13.6 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 7.8-25.2 HB ILE 33 - HE2 LYS 39 far 0 72 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 81 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 66 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 93 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 88 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 60 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 8.2-12.4 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 8.3-23.9 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 80 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 56 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 86 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 9.2-21.8 HB3 ARG 17 - HE2 LYS 13 far 0 46 0 - 9.3-17.7 HB ILE 33 - HE3 LYS 39 far 0 67 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 60 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 87 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 87 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (1.28, 2.95, 41.78 ppm; 3.66 A): 2 out of 10 assignments used, quality = 0.99: * HG2 LYS 32 + HE2 LYS 32 OK 94 100 95 99 2.3-4.1 3.9=84, 1.8/1629=33...(49) HG2 LYS 32 + HE3 LYS 32 OK 89 100 90 99 2.2-4.1 3.9=84, 1.8/1629=35...(49) QG2 THR 58 - HE3 LYS 13 far 0 49 0 - 4.3-28.0 QG2 THR 58 - HE2 LYS 13 far 0 48 0 - 4.6-27.2 HG2 LYS 32 - HE3 LYS 13 far 0 91 0 - 4.9-27.0 HG2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.4-25.4 QG2 THR 58 - HE3 LYS 32 far 0 60 0 - 6.1-9.9 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 6.3-9.9 HG2 ARG 54 - HE3 LYS 39 far 0 44 0 - 7.5-11.8 HG2 ARG 54 - HE2 LYS 39 far 0 48 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 1629 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.86 A increased from 3.43 A): 2 out of 24 assignments used, quality = 0.99: HG3 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.1-4.2 3.9=98, 1.8/1628=39...(49) * HG3 LYS 32 + HE2 LYS 32 OK 90 100 90 100 2.2-4.2 3.9=98, 1.8/1628=41...(49) HB2 LEU 51 - HE3 LYS 39 poor 16 66 25 - 3.9-8.9 QB ALA 12 - HE3 LYS 13 far 9 90 10 - 3.6-8.1 HG3 LYS 32 - HE3 LYS 13 far 5 91 5 - 4.0-27.1 HG3 LYS 32 - HE2 LYS 13 far 4 90 5 - 3.7-25.5 QG2 THR 58 - HE3 LYS 13 far 0 78 0 - 4.3-28.0 QB ALA 12 - HE2 LYS 13 far 0 89 0 - 4.4-8.4 QG2 THR 58 - HE2 LYS 13 far 0 76 0 - 4.6-27.2 QB ALA 12 - HE3 LYS 32 far 0 100 0 - 4.8-28.1 HB2 LEU 51 - HE2 LYS 39 far 0 71 0 - 5.0-7.9 QB ALA 28 - HE3 LYS 13 far 0 86 0 - 5.6-23.2 QG2 THR 58 - HE3 LYS 32 far 0 90 0 - 6.1-9.9 QB ALA 12 - HE2 LYS 32 far 0 100 0 - 6.2-27.5 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 6.3-9.9 QB ALA 28 - HE2 LYS 13 far 0 85 0 - 6.6-23.2 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.5-11.8 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.6-10.2 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 7.8-12.0 QB ALA 28 - HE2 LYS 39 far 0 68 0 - 8.1-11.3 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 8.3-10.4 QB ALA 28 - HE3 LYS 39 far 0 63 0 - 9.0-11.2 QB ALA 28 - HE2 LYS 75 far 0 95 0 - 9.1-16.3 QB ALA 28 - HE3 LYS 75 far 0 95 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 42 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) * HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 28 37 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 28 39 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 24 41 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE3 LYS 39 OK 21 36 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 1631 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 10 out of 38 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(14) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) * HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(14) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 25 34 95 79 2.3-3.0 3.0=71, 1868/3.6=5...(8) HD2 LYS 39 + HE2 LYS 39 OK 22 37 75 79 2.3-3.0 3.0=71, 1868/3.6=5...(8) HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 9.2-14.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD2 LYS 39 - HE2 LYS 13 far 0 48 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 71 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 49 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 79 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 10 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): 10 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 26 assignments used, quality = 0.55: * HA LYS 32 + HE3 LYS 32 OK 40 100 40 100 3.1-6.3 1558/3.9=73, 1559/3.9=71...(37) HA LYS 32 + HE2 LYS 32 OK 25 100 25 100 4.7-6.2 1558/3.9=73, 1559/3.9=71...(37) HA2 GLY 72 - HE2 LYS 75 poor 18 91 20 - 4.7-8.9 HA ARG 70 - HE3 LYS 73 poor 18 71 25 - 2.4-8.8 HA2 GLY 72 - HE3 LYS 75 far 14 92 15 - 4.5-9.3 HA ARG 70 - HE2 LYS 73 poor 13 71 30 60 3.4-9.0 15061/4.7=24...(6) HA VAL 76 - HE2 LYS 75 far 10 96 10 - 4.8-8.2 HA VAL 76 - HE3 LYS 75 far 5 97 5 - 4.9-8.4 HA LYS 32 - HE3 LYS 13 far 5 93 5 - 2.3-24.4 HA LYS 32 - HE2 LYS 13 far 5 91 5 - 4.0-23.6 HA VAL 76 - HE2 LYS 73 far 0 98 0 - 5.8-11.0 HA2 GLY 72 - HE3 LYS 73 far 0 93 0 - 6.2-9.8 HA2 GLY 72 - HE2 LYS 73 far 0 93 0 - 6.5-9.5 HA GLN 61 - HE2 LYS 32 far 0 96 0 - 6.6-11.8 HA VAL 76 - HE3 LYS 73 far 0 98 0 - 6.7-11.1 HA ALA 28 - HE3 LYS 13 far 0 74 0 - 7.0-27.8 HA GLN 61 - HE3 LYS 32 far 0 96 0 - 7.7-11.5 HA ARG 66 - HE2 LYS 73 far 0 100 0 - 7.8-13.9 HA ARG 66 - HE3 LYS 73 far 0 100 0 - 8.3-13.7 HA ALA 28 - HE2 LYS 32 far 0 85 0 - 8.3-11.1 HA ALA 28 - HE2 LYS 13 far 0 72 0 - 8.6-27.9 HA ALA 28 - HE3 LYS 32 far 0 85 0 - 8.6-11.0 HA ARG 70 - HE2 LYS 75 far 0 68 0 - 9.0-13.3 HA2 GLY 21 - HE3 LYS 75 far 0 69 0 - 9.4-19.7 HA GLU 50 - HE3 LYS 39 far 0 62 0 - 9.7-14.4 HA3 GLY 21 - HE3 LYS 75 far 0 66 0 - 9.9-19.5 Violated in 9 structures by 0.05 A. Peak 1636 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 4.45 A increased from 3.56 A): 12 out of 59 assignments used, quality = 1.00: HB2 LYS 32 + HE2 LYS 32 OK 95 100 95 100 2.0-4.8 4.6=93, 2.9/1638=40...(43) * HB2 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.6-5.1 4.6=93, 2.9/1639=38...(43) HB3 LYS 73 + HE2 LYS 73 OK 94 100 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB3 LYS 73 + HE3 LYS 73 OK 94 100 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 75 + HE2 LYS 75 OK 85 91 95 98 2.2-5.4 5.0=72, 3.0/3075=23...(22) HB3 LYS 75 + HE3 LYS 75 OK 81 92 90 99 2.1-5.5 5.0=72, 3.0/3075=21...(22) HB3 LYS 32 + HE3 LYS 32 OK 80 100 80 100 2.3-5.1 4.6=93, 2.9/1639=38...(43) HB3 LYS 32 + HE2 LYS 32 OK 80 100 80 100 3.3-5.1 4.6=93, 2.9/1638=40...(43) HB3 LYS 39 + HE2 LYS 39 OK 71 72 100 100 2.3-4.5 4.7=86, ~1884=31...(22) HB2 LYS 13 + HE3 LYS 13 OK 69 79 90 97 2.2-5.5 5.2=62, 3.0/1038=22...(21) HB2 LYS 13 + HE2 LYS 13 OK 68 78 90 98 2.7-5.4 5.2=62, 3.0/1038=21...(21) HB3 LYS 39 + HE3 LYS 39 OK 66 67 100 99 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 32 - HE2 LYS 13 far 9 91 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 5 93 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 91 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 90 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 76 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 91 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 7.7-13.6 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 7.8-25.2 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 82 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 93 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 89 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 8.2-12.4 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 8.3-23.9 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 81 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 9.2-21.8 HB3 ARG 17 - HE2 LYS 13 far 0 47 0 - 9.3-17.7 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 60 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 89 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 88 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (1.77, 2.95, 41.78 ppm; 4.45 A increased from 3.56 A): 12 out of 59 assignments used, quality = 1.00: HB2 LYS 32 + HE2 LYS 32 OK 95 100 95 100 2.0-4.8 4.6=93, 2.9/1638=40...(43) HB2 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.6-5.1 4.6=93, 2.9/1639=38...(43) HB3 LYS 73 + HE2 LYS 73 OK 94 100 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB3 LYS 73 + HE3 LYS 73 OK 94 100 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 75 + HE2 LYS 75 OK 85 91 95 98 2.2-5.4 5.0=72, 3.0/3075=23...(22) HB3 LYS 75 + HE3 LYS 75 OK 81 92 90 99 2.1-5.5 5.0=72, 3.0/3075=21...(22) * HB3 LYS 32 + HE3 LYS 32 OK 80 100 80 100 2.3-5.1 4.6=93, 2.9/1639=38...(43) HB3 LYS 32 + HE2 LYS 32 OK 80 100 80 100 3.3-5.1 4.6=93, 2.9/1638=40...(43) HB3 LYS 39 + HE2 LYS 39 OK 71 72 100 100 2.3-4.5 4.7=86, ~1884=31...(22) HB2 LYS 13 + HE3 LYS 13 OK 69 79 90 97 2.2-5.5 5.2=62, 3.0/1038=22...(21) HB2 LYS 13 + HE2 LYS 13 OK 68 78 90 98 2.7-5.4 5.2=62, 3.0/1038=21...(21) HB3 LYS 39 + HE3 LYS 39 OK 66 67 100 99 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 32 - HE2 LYS 13 far 9 91 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 5 93 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 93 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 60 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 91 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 90 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 68 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 60 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 66 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 72 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 74 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 90 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 76 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 76 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 61 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 91 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 90 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 93 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 78 0 - 7.7-13.6 HB3 ARG 17 - HE3 LYS 32 far 0 57 0 - 7.8-25.2 HB ILE 33 - HE2 LYS 39 far 0 75 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 82 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 69 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 93 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 100 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 89 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 99 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 93 0 - 8.2-12.4 HB3 ARG 17 - HE2 LYS 32 far 0 57 0 - 8.3-23.9 HB ILE 33 - HE2 LYS 32 far 0 100 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 78 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 81 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 99 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 99 0 - 9.2-21.8 HB3 ARG 17 - HE2 LYS 13 far 0 47 0 - 9.3-17.7 HB ILE 33 - HE3 LYS 39 far 0 70 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 93 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 60 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 99 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 89 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 88 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1638 from cnoeabs.peaks (1.28, 2.95, 41.78 ppm; 3.66 A): 2 out of 10 assignments used, quality = 0.99: HG2 LYS 32 + HE2 LYS 32 OK 94 100 95 99 2.3-4.1 3.9=84, 1.8/1639=33...(49) * HG2 LYS 32 + HE3 LYS 32 OK 89 100 90 99 2.2-4.1 3.9=84, 1.8/1639=35...(49) QG2 THR 58 - HE3 LYS 13 far 0 50 0 - 4.3-28.0 QG2 THR 58 - HE2 LYS 13 far 0 49 0 - 4.6-27.2 HG2 LYS 32 - HE3 LYS 13 far 0 93 0 - 4.9-27.0 HG2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.4-25.4 QG2 THR 58 - HE3 LYS 32 far 0 60 0 - 6.1-9.9 QG2 THR 58 - HE2 LYS 32 far 0 60 0 - 6.3-9.9 HG2 ARG 54 - HE3 LYS 39 far 0 46 0 - 7.5-11.8 HG2 ARG 54 - HE2 LYS 39 far 0 50 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (1.33, 2.95, 41.78 ppm; 3.86 A increased from 3.43 A): 2 out of 24 assignments used, quality = 0.99: * HG3 LYS 32 + HE3 LYS 32 OK 95 100 95 100 2.1-4.2 3.9=98, 1.8/1638=39...(49) HG3 LYS 32 + HE2 LYS 32 OK 90 100 90 100 2.2-4.2 3.9=98, 1.8/1638=41...(49) HB2 LEU 51 - HE3 LYS 39 poor 17 68 25 - 3.9-8.9 QB ALA 12 - HE3 LYS 13 far 9 92 10 - 3.6-8.1 HG3 LYS 32 - HE3 LYS 13 far 5 93 5 - 4.0-27.1 HG3 LYS 32 - HE2 LYS 13 far 5 91 5 - 3.7-25.5 QG2 THR 58 - HE3 LYS 13 far 0 79 0 - 4.3-28.0 QB ALA 12 - HE2 LYS 13 far 0 90 0 - 4.4-8.4 QG2 THR 58 - HE2 LYS 13 far 0 78 0 - 4.6-27.2 QB ALA 12 - HE3 LYS 32 far 0 100 0 - 4.8-28.1 HB2 LEU 51 - HE2 LYS 39 far 0 73 0 - 5.0-7.9 QB ALA 28 - HE3 LYS 13 far 0 87 0 - 5.6-23.2 QG2 THR 58 - HE3 LYS 32 far 0 90 0 - 6.1-9.9 QB ALA 12 - HE2 LYS 32 far 0 100 0 - 6.2-27.5 QG2 THR 58 - HE2 LYS 32 far 0 90 0 - 6.3-9.9 QB ALA 28 - HE2 LYS 13 far 0 86 0 - 6.6-23.2 HG2 ARG 54 - HE3 LYS 39 far 0 48 0 - 7.5-11.8 QB ALA 28 - HE3 LYS 32 far 0 97 0 - 7.6-10.2 HG2 ARG 54 - HE2 LYS 39 far 0 52 0 - 7.8-12.0 QB ALA 28 - HE2 LYS 39 far 0 71 0 - 8.1-11.3 QB ALA 28 - HE2 LYS 32 far 0 97 0 - 8.3-10.4 QB ALA 28 - HE3 LYS 39 far 0 66 0 - 9.0-11.2 QB ALA 28 - HE2 LYS 75 far 0 95 0 - 9.1-16.3 QB ALA 28 - HE3 LYS 75 far 0 96 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 42 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) * HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1638=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1638=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1638=14...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1638=15...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 29 39 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 29 40 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 25 42 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE3 LYS 39 OK 22 37 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 91 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 65 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 92 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 93 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 70 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 97 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 87 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 88 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 53 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 89 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 52 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 54 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 72 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 55 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 76 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 1641 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 10 out of 38 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(14) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1638=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1638=15...(25) * HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1638=14...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1638=15...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(14) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 26 35 95 79 2.3-3.0 3.0=71, 1868/3.6=5...(8) HD2 LYS 39 + HE2 LYS 39 OK 23 38 75 79 2.3-3.0 3.0=71, 1868/3.6=5...(8) HD3 LYS 32 - HE2 LYS 13 far 0 91 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 93 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 92 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 97 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 98 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 99 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 89 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 89 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 90 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 99 0 - 9.2-14.2 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 91 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD2 LYS 39 - HE2 LYS 13 far 0 49 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 73 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 50 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 80 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 10 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): 10 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; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + HA ILE 33 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 1 out of 11 assignments used, quality = 1.00: * HB ILE 33 + HA ILE 33 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 34 - HA ILE 33 poor 20 98 20 - 4.2-4.3 HB2 LYS 32 - HA ILE 33 far 0 100 0 - 4.7-4.9 HB2 PRO 34 - HA ILE 33 far 0 97 0 - 4.9-5.5 HB3 LYS 32 - HA ILE 33 far 0 100 0 - 5.0-5.2 HB3 ARG 17 - HA ILE 33 far 0 71 0 - 6.7-18.3 HB2 LEU 57 - HA ILE 33 far 0 100 0 - 7.0-7.6 HB2 LYS 13 - HA ILE 33 far 0 81 0 - 7.0-25.3 HB2 LEU 62 - HA ILE 33 far 0 78 0 - 9.3-10.2 HB3 LYS 39 - HA ILE 33 far 0 93 0 - 9.4-11.2 HB2 ARG 54 - HA ILE 33 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.3 3.2=100 Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (1.44, 3.89, 56.86 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 33 + HA ILE 33 OK 100 100 100 100 3.3-3.3 3.9=100 HB3 LEU 57 - HA ILE 33 far 0 73 0 - 5.8-6.4 HG2 LYS 13 - HA ILE 33 far 0 81 0 - 7.3-25.8 QB ALA 30 - HA ILE 33 far 0 100 0 - 7.8-8.0 HG3 LYS 13 - HA ILE 33 far 0 96 0 - 7.9-24.5 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.22, 3.89, 56.86 ppm; 4.50 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 33 + HA ILE 33 OK 100 100 100 100 3.8-3.8 3.9=100 QG2 VAL 65 - HA ILE 33 far 5 99 5 - 4.8-5.1 QG2 THR 15 - HA ILE 33 far 0 63 0 - 5.6-19.2 QG1 VAL 65 - HA ILE 33 far 0 95 0 - 6.2-6.6 HG13 ILE 40 - HA ILE 33 far 0 96 0 - 7.9-8.1 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.71, 3.89, 56.86 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HA ILE 33 OK 100 100 100 100 2.1-2.3 1680=100, 1682/3.2=60...(19) QD2 LEU 57 + HA ILE 33 OK 97 100 100 98 3.0-3.4 4606=47, 4612/3.2=41...(12) Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (7.91, 1.77, 36.30 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + HB ILE 33 OK 100 100 100 100 2.7-2.7 572=100, 573/2.1=55...(11) Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (3.89, 1.77, 36.30 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 33 + HB ILE 33 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 36 - HB ILE 33 far 0 89 0 - 6.6-6.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1655 from cnoeabs.peaks (1.44, 1.77, 36.30 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 33 + HB ILE 33 OK 100 100 100 100 2.4-2.5 3.0=100 QB ALA 30 - HB ILE 33 far 0 100 0 - 7.2-7.7 HB3 LEU 57 - HB ILE 33 far 0 73 0 - 8.3-8.9 HG2 LYS 13 - HB ILE 33 far 0 81 0 - 8.6-26.6 HG3 LYS 13 - HB ILE 33 far 0 96 0 - 8.7-25.4 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (1.22, 1.77, 36.30 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 33 + HB ILE 33 OK 100 100 100 100 2.5-2.5 3.0=100 QG2 VAL 65 - HB ILE 33 far 0 99 0 - 5.3-5.6 QG2 THR 15 - HB ILE 33 far 0 63 0 - 5.4-17.9 QG1 VAL 65 - HB ILE 33 far 0 95 0 - 6.2-6.7 HG13 ILE 40 - HB ILE 33 far 0 96 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (0.71, 1.77, 36.30 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HB ILE 33 OK 100 100 100 100 3.2-3.2 3.2=100 QD2 LEU 57 - HB ILE 33 far 0 100 0 - 5.2-5.6 Violated in 0 structures by 0.00 A. Peak 1658 from cnoeabs.peaks (7.91, 0.31, 17.04 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 33 + QG2 ILE 33 OK 100 100 100 100 3.8-3.8 4.1=100 H ASP 67 - QG2 ILE 33 far 0 71 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (3.89, 0.31, 17.04 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.1-2.3 3.2=100 HD2 PRO 36 - QG2 ILE 33 far 0 89 0 - 5.5-5.5 HA LEU 51 - QG2 ILE 33 far 0 100 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (1.77, 0.31, 17.04 ppm; 3.19 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 33 + QG2 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 34 + QG2 ILE 33 OK 24 98 25 99 3.2-4.3 2.3/4215=50, 2.3/4214=43...(23) HB2 PRO 34 - QG2 ILE 33 far 0 97 0 - 4.6-4.9 HB3 LYS 39 - QG2 ILE 33 far 0 93 0 - 5.6-7.1 HB2 LEU 57 - QG2 ILE 33 far 0 100 0 - 6.0-6.6 HB2 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.1-6.3 HB3 LYS 32 - QG2 ILE 33 far 0 100 0 - 6.4-6.6 HB3 ARG 17 - QG2 ILE 33 far 0 71 0 - 6.5-15.1 HB2 LYS 13 - QG2 ILE 33 far 0 81 0 - 7.3-21.5 HB2 ARG 54 - QG2 ILE 33 far 0 100 0 - 7.4-8.8 HB2 LEU 62 - QG2 ILE 33 far 0 78 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. 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; 4.00 A): 1 out of 7 assignments used, quality = 1.00: * HG12 ILE 33 + QG2 ILE 33 OK 100 100 100 100 3.2-3.2 3.2=100 HB3 LEU 57 - QG2 ILE 33 far 0 73 0 - 5.4-5.8 QB ALA 30 - QG2 ILE 33 far 0 100 0 - 7.2-7.4 HG2 LYS 13 - QG2 ILE 33 far 0 81 0 - 8.0-23.5 HG3 LYS 13 - QG2 ILE 33 far 0 96 0 - 8.3-22.5 HB3 LEU 52 - QG2 ILE 33 far 0 60 0 - 8.4-9.0 HB3 LEU 43 - QG2 ILE 33 far 0 99 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (1.22, 0.31, 17.04 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 33 + QG2 ILE 33 OK 99 100 100 99 2.3-2.4 3.2=94, 2.1/1682=63...(11) QG2 VAL 65 + QG2 ILE 33 OK 88 99 100 89 2.9-3.2 4727=64, 1684/1682=24...(10) QG1 VAL 65 - QG2 ILE 33 far 0 95 0 - 3.6-4.0 HG13 ILE 40 - QG2 ILE 33 far 0 96 0 - 4.2-4.5 QG2 THR 15 - QG2 ILE 33 far 0 63 0 - 5.9-16.4 HG LEU 52 - QG2 ILE 33 far 0 73 0 - 7.3-7.7 HG2 ARG 69 - QG2 ILE 33 far 0 81 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 3.2=100 QD2 LEU 57 + QG2 ILE 33 OK 97 100 100 97 2.9-3.4 4612=40, 4603/4215=31...(17) Violated in 0 structures by 0.00 A. Peak 1665 from cnoeabs.peaks (7.91, 1.44, 27.27 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + HG12 ILE 33 OK 100 100 100 100 1.9-2.0 574=100, 575/1.8=77...(13) Violated in 0 structures by 0.00 A. Peak 1666 from cnoeabs.peaks (3.89, 1.44, 27.27 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 33 + HG12 ILE 33 OK 100 100 100 100 3.3-3.3 3.9=100 HD2 PRO 36 - HG12 ILE 33 far 0 89 0 - 9.0-9.1 Violated in 0 structures by 0.00 A. Peak 1667 from cnoeabs.peaks (1.77, 1.44, 27.27 ppm; 3.79 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LYS 32 - HG12 ILE 33 far 0 100 0 - 5.4-5.8 HB3 LYS 32 - HG12 ILE 33 far 0 100 0 - 6.0-6.2 HB3 ARG 17 - HG12 ILE 33 far 0 71 0 - 7.1-17.2 HG2 PRO 34 - HG12 ILE 33 far 0 98 0 - 7.2-7.6 HB2 PRO 34 - HG12 ILE 33 far 0 97 0 - 7.9-8.3 HB2 LEU 57 - HG12 ILE 33 far 0 100 0 - 8.9-9.9 HB2 LYS 13 - HG12 ILE 33 far 0 81 0 - 9.0-25.5 HB3 LYS 39 - HG12 ILE 33 far 0 93 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1668 from cnoeabs.peaks (0.31, 1.44, 27.27 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + HG12 ILE 33 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 33 + HG12 ILE 33 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 65 - HG12 ILE 33 far 0 99 0 - 5.0-5.4 QG2 THR 15 - HG12 ILE 33 far 0 63 0 - 6.1-18.8 QG1 VAL 65 - HG12 ILE 33 far 0 95 0 - 6.5-7.0 HG13 ILE 40 - HG12 ILE 33 far 0 96 0 - 8.0-8.2 QG2 THR 15 - HG13 ILE 89 far 0 58 0 - 8.5-62.4 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (0.71, 1.44, 27.27 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HG12 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 57 - HG12 ILE 33 far 0 100 0 - 5.2-5.7 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (7.91, 1.22, 27.27 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 33 + HG13 ILE 33 OK 100 100 100 100 3.5-3.6 575=100, 574/1.8=85...(8) H ASP 67 - HG2 ARG 69 far 0 37 0 - 7.3-8.1 H ASP 67 - HG13 ILE 33 far 0 71 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (3.89, 1.22, 27.27 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 33 + HG13 ILE 33 OK 100 100 100 100 3.8-3.8 3.9=100 HD2 PRO 36 - HG13 ILE 33 far 0 89 0 - 8.5-8.6 Violated in 0 structures by 0.00 A. Peak 1674 from cnoeabs.peaks (1.77, 1.22, 27.27 ppm; 3.57 A): 1 out of 12 assignments used, quality = 1.00: * HB ILE 33 + HG13 ILE 33 OK 100 100 100 100 2.5-2.5 3.0=100 HB3 LYS 73 - HG2 ARG 69 far 0 59 0 - 4.0-6.1 HB2 LYS 32 - HG13 ILE 33 far 0 100 0 - 6.9-7.3 HG2 PRO 34 - HG13 ILE 33 far 0 98 0 - 7.0-7.8 HG3 ARG 71 - HG2 ARG 69 far 0 50 0 - 7.5-9.3 HB3 LYS 32 - HG13 ILE 33 far 0 100 0 - 7.6-7.8 HB3 ARG 17 - HG13 ILE 33 far 0 71 0 - 8.1-17.9 HB2 PRO 34 - HG13 ILE 33 far 0 97 0 - 8.3-8.5 HB2 LEU 57 - HG13 ILE 33 far 0 100 0 - 8.4-9.5 HB3 LYS 39 - HG13 ILE 33 far 0 93 0 - 8.6-10.3 HB3 LYS 75 - HG2 ARG 69 far 0 47 0 - 9.2-11.3 HB2 LEU 62 - HG13 ILE 33 far 0 78 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1675 from cnoeabs.peaks (0.31, 1.22, 27.27 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 33 + HG13 ILE 33 OK 100 100 100 100 2.3-2.4 3.2=100 QG2 ILE 33 - HG2 ARG 69 far 0 63 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1676 from cnoeabs.peaks (1.44, 1.22, 27.27 ppm; 2.98 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 33 + HG13 ILE 33 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 30 - HG13 ILE 33 far 0 100 0 - 6.3-6.7 HB3 LEU 43 - HG2 ARG 69 far 0 61 0 - 6.8-8.6 HB3 LEU 57 - HG13 ILE 33 far 0 73 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 1677 from cnoeabs.peaks (1.22, 1.22, 27.27 ppm; diagonal): 2 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): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 33 + HG13 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 57 - HG13 ILE 33 far 0 100 0 - 5.1-5.7 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (7.91, 0.71, 10.77 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.7-2.9 576=100, 574/2.1=83...(12) H ASP 67 - QD1 ILE 33 far 0 71 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (3.89, 0.71, 10.77 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.1-2.3 4.1=59, 3.2/1682=55...(19) HD2 PRO 36 - QD1 ILE 33 far 0 89 0 - 8.3-8.4 HA LEU 51 - QD1 ILE 33 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (1.77, 0.71, 10.77 ppm; 3.51 A): 1 out of 13 assignments used, quality = 1.00: * HB ILE 33 + QD1 ILE 33 OK 100 100 100 100 3.2-3.2 3.2=100 HB2 LYS 32 - QD1 ILE 33 far 0 100 0 - 4.2-4.5 HB3 LYS 32 - QD1 ILE 33 far 0 100 0 - 5.1-5.4 HG2 PRO 34 - QD1 ILE 33 far 0 98 0 - 5.1-5.5 HB2 LEU 57 - QD1 ILE 33 far 0 100 0 - 5.4-6.3 HB2 PRO 34 - QD1 ILE 33 far 0 97 0 - 6.2-6.7 HB2 LEU 62 - QD1 ILE 33 far 0 78 0 - 6.7-7.4 HB3 ARG 17 - QD1 ILE 33 far 0 71 0 - 7.3-16.2 HB2 LYS 13 - QD1 ILE 33 far 0 81 0 - 8.0-22.8 HB3 LYS 39 - QD1 ILE 33 far 0 93 0 - 8.4-9.9 HB2 ARG 54 - QD1 ILE 33 far 0 100 0 - 9.2-10.6 HG3 ARG 71 - QD1 ILE 33 far 0 89 0 - 9.8-11.8 HG3 ARG 26 - QD1 ILE 33 far 0 83 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (0.31, 0.71, 10.77 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 33 + QD1 ILE 33 OK 100 100 100 100 1.9-2.1 3.2=98, 3.2/1680=41...(18) Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (1.44, 0.71, 10.77 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 57 - QD1 ILE 33 far 0 73 0 - 4.4-5.1 QB ALA 30 - QD1 ILE 33 far 0 100 0 - 5.2-5.6 HG2 LYS 13 - QD1 ILE 33 far 0 81 0 - 7.8-23.2 HG3 LYS 13 - QD1 ILE 33 far 0 96 0 - 8.4-22.3 HB3 LEU 52 - QD1 ILE 33 far 0 60 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (1.22, 0.71, 10.77 ppm; 2.83 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 33 + QD1 ILE 33 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 65 + QD1 ILE 33 OK 87 99 100 88 2.7-3.0 4727/1682=31, 4725=28...(17) QG1 VAL 65 - QD1 ILE 33 far 0 95 0 - 4.3-4.7 QG2 THR 15 - QD1 ILE 33 far 0 63 0 - 5.9-16.5 HG13 ILE 40 - QD1 ILE 33 far 0 96 0 - 6.0-6.2 HG LEU 52 - QD1 ILE 33 far 0 73 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. 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; 4.22 A): 3 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + HD2 PRO 34 OK 100 100 100 100 3.9-4.0 3.0=100 HB ILE 33 + HD2 PRO 34 OK 97 97 100 100 4.1-4.1 2.1/4215=84, 3.0/4216=72...(17) HG2 PRO 34 + HD2 PRO 34 OK 83 83 100 100 2.3-2.7 2.3=100 HB2 LYS 32 - HD2 PRO 34 far 0 99 0 - 6.2-6.3 HB2 LEU 57 - HD2 PRO 34 far 0 95 0 - 6.2-6.7 HB3 LYS 32 - HD2 PRO 34 far 0 99 0 - 6.4-6.7 HB2 LYS 13 - HD2 PRO 34 far 0 97 0 - 7.2-25.7 HB2 ARG 54 - HD2 PRO 34 far 0 93 0 - 7.9-9.4 HB3 LYS 39 - HD2 PRO 34 far 0 100 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 1688 from cnoeabs.peaks (1.87, 2.72, 50.48 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 LYS 39 - HD2 PRO 34 far 0 85 0 - 8.2-8.9 HB ILE 68 - HD2 PRO 34 far 0 76 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (1.76, 2.72, 50.48 ppm; 3.96 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 34 + HD2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB ILE 33 + HD2 PRO 34 OK 98 98 100 100 4.1-4.1 2.1/4215=77, 3.0/4216=65...(17) HB2 PRO 34 + HD2 PRO 34 OK 83 83 100 100 3.9-4.0 3.0=100 HB2 LYS 32 - HD2 PRO 34 far 0 93 0 - 6.2-6.3 HB2 LEU 57 - HD2 PRO 34 far 0 99 0 - 6.2-6.7 HB3 LYS 32 - HD2 PRO 34 far 0 93 0 - 6.4-6.7 HB3 ARG 17 - HD2 PRO 34 far 0 90 0 - 7.7-18.9 HB2 ARG 54 - HD2 PRO 34 far 0 99 0 - 7.9-9.4 HB3 LYS 39 - HD2 PRO 34 far 0 76 0 - 8.5-10.3 HB2 LEU 62 - HD2 PRO 34 far 0 95 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 1690 from cnoeabs.peaks (1.04, 2.72, 50.48 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 QD1 ILE 40 - HD2 PRO 34 far 0 95 0 - 5.9-6.0 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HD2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 PRO 36 - HD2 PRO 34 far 0 68 0 - 7.4-7.4 Violated in 0 structures by 0.00 A. Peak 1693 from cnoeabs.peaks (4.32, 3.54, 50.48 ppm; 5.46 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 34 + HD3 PRO 34 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 34 - HD3 PRO 36 far 0 45 0 - 6.9-7.0 HA ALA 16 - HD3 PRO 34 far 0 99 0 - 7.5-22.5 HA ALA 16 - HD3 PRO 36 far 0 44 0 - 9.7-23.0 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (1.78, 3.54, 50.48 ppm; 4.02 A): 3 out of 14 assignments used, quality = 1.00: * HB2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 PRO 34 + HD3 PRO 34 OK 83 83 100 100 2.3-3.0 2.3=100 HB3 LYS 39 + HD3 PRO 36 OK 44 45 100 99 2.6-3.7 4877/3.0=42, ~5104=35...(17) HB2 LYS 32 - HD3 PRO 34 far 0 99 0 - 4.9-5.2 HB ILE 33 - HD3 PRO 34 far 0 97 0 - 4.9-4.9 HB3 LYS 32 - HD3 PRO 34 far 0 99 0 - 5.1-5.4 HB2 LYS 13 - HD3 PRO 34 far 0 97 0 - 6.0-25.1 HB2 LEU 57 - HD3 PRO 34 far 0 95 0 - 6.5-7.1 HG2 PRO 34 - HD3 PRO 36 far 0 32 0 - 6.6-8.4 HB2 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.7-8.1 HB ILE 33 - HD3 PRO 36 far 0 41 0 - 6.7-6.8 HB2 LYS 13 - HD3 PRO 36 far 0 42 0 - 6.8-28.8 HB2 ARG 54 - HD3 PRO 34 far 0 93 0 - 8.8-10.2 HB2 ARG 54 - HD3 PRO 36 far 0 38 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 1695 from cnoeabs.peaks (1.87, 3.54, 50.48 ppm; 4.47 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 34 + HD3 PRO 34 OK 100 100 100 100 3.0-3.9 3.0=100 HB2 LYS 39 + HD3 PRO 36 OK 33 33 100 100 3.1-3.7 5104/1.8=53, ~4877=46...(20) HB3 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.7-8.1 HB2 MET 11 - HD3 PRO 34 far 0 97 0 - 9.0-31.7 HB3 PRO 14 - HD3 PRO 34 far 0 95 0 - 9.7-27.3 HB2 LYS 39 - HD3 PRO 34 far 0 85 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (1.76, 3.54, 50.48 ppm; 3.83 A): 3 out of 15 assignments used, quality = 1.00: * HG2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 PRO 34 + HD3 PRO 34 OK 83 83 100 100 3.0-3.9 3.0=100 HB3 LYS 39 + HD3 PRO 36 OK 27 28 100 96 2.6-3.7 ~5104=31, ~4893=28...(17) HB2 LYS 32 - HD3 PRO 34 far 0 93 0 - 4.9-5.2 HB ILE 33 - HD3 PRO 34 far 0 98 0 - 4.9-4.9 HB3 LYS 32 - HD3 PRO 34 far 0 93 0 - 5.1-5.4 HB2 LEU 57 - HD3 PRO 34 far 0 99 0 - 6.5-7.1 HG2 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.6-8.4 HB2 PRO 34 - HD3 PRO 36 far 0 32 0 - 6.7-8.1 HB ILE 33 - HD3 PRO 36 far 0 42 0 - 6.7-6.8 HB3 ARG 17 - HD3 PRO 34 far 0 90 0 - 7.2-19.6 HB3 ARG 17 - HD3 PRO 36 far 0 36 0 - 7.4-18.9 HB2 ARG 54 - HD3 PRO 34 far 0 99 0 - 8.8-10.2 HB2 ARG 54 - HD3 PRO 36 far 0 44 0 - 9.0-10.1 HB2 LEU 62 - HD3 PRO 34 far 0 95 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (1.04, 3.54, 50.48 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 PRO 34 + HD3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 QD1 ILE 40 - HD3 PRO 36 far 0 39 0 - 5.9-6.3 HG3 PRO 34 - HD3 PRO 36 far 0 45 0 - 6.7-8.4 QD1 ILE 40 - HD3 PRO 34 far 0 95 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (2.72, 3.54, 50.48 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 34 + HD3 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 PRO 34 - HD3 PRO 36 far 0 45 0 - 7.4-7.4 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (3.54, 3.54, 50.48 ppm; diagonal): 2 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; 3.21 A): 1 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + HA PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB2 LYS 13 - HA PRO 34 far 0 97 0 - 3.7-23.7 HG2 PRO 34 - HA PRO 34 far 0 83 0 - 3.9-4.0 HB ILE 33 - HA PRO 34 far 0 97 0 - 5.1-5.2 HB3 LYS 32 - HA PRO 34 far 0 99 0 - 5.9-6.3 HB2 LYS 32 - HA PRO 34 far 0 99 0 - 6.6-7.1 HB3 LYS 39 - HA PRO 34 far 0 100 0 - 9.1-10.5 HB2 ARG 54 - HA PRO 34 far 0 93 0 - 9.6-10.8 HB2 LEU 57 - HA PRO 34 far 0 95 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 1702 from cnoeabs.peaks (1.87, 4.32, 63.87 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 34 + HA PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 PRO 14 - HA PRO 34 far 0 95 0 - 7.2-27.1 HB2 LYS 39 - HA PRO 34 far 0 85 0 - 9.3-9.6 HB2 MET 11 - HA PRO 34 far 0 97 0 - 9.6-32.2 Violated in 0 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (1.76, 4.32, 63.87 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.83: HB2 PRO 34 + HA PRO 34 OK 83 83 100 100 2.3-2.7 2.3=100 ! HG2 PRO 34 - HA PRO 34 far 0 100 0 - 3.9-4.0 HB3 ARG 17 - HA PRO 34 far 0 90 0 - 4.8-17.6 HB ILE 33 - HA PRO 34 far 0 98 0 - 5.1-5.2 HB3 LYS 32 - HA PRO 34 far 0 93 0 - 5.9-6.3 HB2 LYS 32 - HA PRO 34 far 0 93 0 - 6.6-7.1 HB3 LYS 39 - HA PRO 34 far 0 76 0 - 9.1-10.5 HB2 ARG 54 - HA PRO 34 far 0 99 0 - 9.6-10.8 HB2 LEU 57 - HA PRO 34 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 1704 from cnoeabs.peaks (1.04, 4.32, 63.87 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HA PRO 34 OK 100 100 100 100 3.9-4.0 3.8=100 QD1 ILE 40 - HA PRO 34 far 0 95 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 1705 from cnoeabs.peaks (2.72, 4.32, 63.87 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + HA PRO 34 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 HD3 PRO 36 - HA PRO 34 far 0 68 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 1707 from cnoeabs.peaks (4.32, 1.78, 30.55 ppm; 3.58 A): 1 out of 11 assignments used, quality = 1.00: * HA PRO 34 + HB2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA LEU 86 - HB3 ARG 84 far 0 60 0 - 5.1-7.8 HA PRO 34 - HB3 LYS 32 far 0 65 0 - 5.9-6.3 HA PRO 34 - HB2 LYS 32 far 0 65 0 - 6.6-7.1 HA ALA 16 - HB2 PRO 34 far 0 99 0 - 6.7-23.8 HA ALA 16 - HB3 LYS 32 far 0 63 0 - 6.7-25.0 HA LEU 86 - HB3 ARG 82 far 0 81 0 - 7.9-14.9 HA GLU 87 - HB3 ARG 84 far 0 70 0 - 8.1-11.6 HA ALA 16 - HB2 LYS 32 far 0 63 0 - 8.3-25.5 HA PRO 34 - HB2 ARG 54 far 0 51 0 - 9.6-10.8 HA GLU 87 - HB3 ARG 82 far 0 91 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (1.78, 1.78, 30.55 ppm; diagonal): 6 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 11 assignments used, quality = 1.00: * HB3 PRO 34 + HB2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 14 - HB3 LYS 32 far 0 57 0 - 6.0-29.2 HB3 PRO 34 - HB3 LYS 32 far 0 65 0 - 6.3-8.2 HB3 PRO 34 - HB2 LYS 32 far 0 65 0 - 6.9-8.5 HB3 PRO 14 - HB2 LYS 32 far 0 57 0 - 7.2-29.7 HB2 MET 11 - HB3 LYS 32 far 0 59 0 - 7.4-34.1 HB3 PRO 34 - HB2 ARG 54 far 0 51 0 - 7.9-9.4 HB2 MET 11 - HB2 LYS 32 far 0 59 0 - 8.1-34.5 HB3 PRO 14 - HB2 PRO 34 far 0 95 0 - 8.1-29.7 HB2 LYS 39 - HB2 ARG 54 far 0 38 0 - 8.4-10.8 HB2 LYS 39 - HB2 PRO 34 far 0 85 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. 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): 1 out of 8 assignments used, quality = 1.00: * HG3 PRO 34 + HB2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 34 - HB2 ARG 54 far 0 51 0 - 6.6-8.1 HG3 PRO 34 - HB3 LYS 32 far 0 65 0 - 7.1-8.2 HG3 PRO 34 - HB2 LYS 32 far 0 65 0 - 7.1-8.1 QD1 ILE 40 - HB2 PRO 34 far 0 95 0 - 8.2-8.8 QD1 ILE 40 - HB2 ARG 54 far 0 44 0 - 8.9-10.2 QD1 ILE 40 - HB2 LYS 32 far 0 57 0 - 9.4-9.7 QD1 ILE 40 - HB3 LYS 32 far 0 57 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (3.54, 1.78, 30.55 ppm; 4.86 A): 2 out of 6 assignments used, quality = 1.00: * HD3 PRO 34 + HB2 PRO 34 OK 100 100 100 100 3.0-3.9 3.0=100 HD3 PRO 34 + HB2 LYS 32 OK 42 65 100 65 4.9-5.2 4655/4670=43, 5764/4667=37 HD3 PRO 34 - HB3 LYS 32 lone 2 65 35 8 5.1-5.4 5764/6065=7 HD3 PRO 36 - HB2 PRO 34 far 0 68 0 - 6.7-8.1 HD3 PRO 34 - HB2 ARG 54 far 0 51 0 - 8.8-10.2 HD3 PRO 36 - HB2 ARG 54 far 0 28 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 1714 from cnoeabs.peaks (4.32, 1.87, 30.55 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 HA ALA 16 - HB3 PRO 34 far 0 99 0 - 5.8-23.1 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (1.78, 1.87, 30.55 ppm; 2.41 A): 3 out of 21 assignments used, quality = 1.00: * HB2 PRO 34 + HB3 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 34 + HB3 PRO 34 OK 62 83 75 100 2.3-3.0 2.3=100 HG3 ARG 71 + HB2 ARG 71 OK 20 25 95 85 2.3-3.0 2.8=64, 779/776=11...(17) HG3 ARG 71 - HB3 ARG 71 poor 9 26 35 - 2.2-3.0 HB2 LYS 13 - HB3 PRO 34 far 0 97 0 - 4.4-24.5 HB3 LYS 75 - HB3 ARG 71 far 0 50 0 - 4.4-9.0 HB3 LYS 75 - HB2 ARG 71 far 0 48 0 - 4.9-7.9 HB2 ARG 69 - HB2 ARG 71 far 0 32 0 - 6.1-9.2 HB3 LYS 32 - HB3 PRO 34 far 0 99 0 - 6.3-8.2 HB2 ARG 69 - HB3 ARG 71 far 0 33 0 - 6.4-9.0 HB ILE 33 - HB3 PRO 34 far 0 97 0 - 6.6-6.7 HG3 ARG 71 - HB2 ARG 27 far 0 23 0 - 6.7-10.6 HG3 ARG 71 - HB3 ARG 27 far 0 24 0 - 6.8-10.2 HB2 LYS 32 - HB3 PRO 34 far 0 99 0 - 6.9-8.5 HB3 LYS 73 - HB2 ARG 71 far 0 50 0 - 7.3-8.7 HB ILE 33 - HB2 ARG 27 far 0 42 0 - 7.4-9.5 HB ILE 33 - HB3 ARG 27 far 0 43 0 - 7.4-8.6 HB3 LYS 73 - HB3 ARG 71 far 0 52 0 - 7.7-8.8 HB2 ARG 54 - HB3 PRO 34 far 0 93 0 - 7.9-9.4 HB2 LEU 57 - HB3 PRO 34 far 0 95 0 - 8.5-9.2 HB3 LYS 39 - HB3 PRO 34 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1716 from cnoeabs.peaks (1.87, 1.87, 30.55 ppm; diagonal): 6 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 21 assignments used, quality = 0.98: HB2 PRO 34 + HB3 PRO 34 OK 83 83 100 100 1.8-1.8 1.8=100 * HG2 PRO 34 + HB3 PRO 34 OK 75 100 75 100 2.3-3.0 2.3=100 HG3 ARG 71 + HB2 ARG 71 OK 43 48 95 95 2.3-3.0 2.8=82, 779/776=22...(21) HG3 ARG 71 - HB3 ARG 71 poor 17 50 35 - 2.2-3.0 HB3 LYS 75 - HB3 ARG 71 far 0 26 0 - 4.4-9.0 HG3 ARG 26 - HB2 ARG 27 far 0 42 0 - 4.6-7.3 HB3 LYS 75 - HB2 ARG 71 far 0 25 0 - 4.9-7.9 HG3 ARG 26 - HB3 ARG 27 far 0 43 0 - 6.2-8.1 HB3 LYS 32 - HB3 PRO 34 far 0 93 0 - 6.3-8.2 HB ILE 33 - HB3 PRO 34 far 0 98 0 - 6.6-6.7 HG3 ARG 71 - HB2 ARG 27 far 0 44 0 - 6.7-10.6 HG3 ARG 71 - HB3 ARG 27 far 0 46 0 - 6.8-10.2 HB3 ARG 17 - HB3 PRO 34 far 0 90 0 - 6.9-19.5 HB2 LYS 32 - HB3 PRO 34 far 0 93 0 - 6.9-8.5 HB3 LYS 73 - HB2 ARG 71 far 0 38 0 - 7.3-8.7 HB ILE 33 - HB2 ARG 27 far 0 43 0 - 7.4-9.5 HB ILE 33 - HB3 ARG 27 far 0 45 0 - 7.4-8.6 HB3 LYS 73 - HB3 ARG 71 far 0 40 0 - 7.7-8.8 HB2 ARG 54 - HB3 PRO 34 far 0 99 0 - 7.9-9.4 HB2 LEU 57 - HB3 PRO 34 far 0 99 0 - 8.5-9.2 HB3 LYS 39 - HB3 PRO 34 far 0 76 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1718 from cnoeabs.peaks (1.04, 1.87, 30.55 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HG3 PRO 34 + HB3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 QD1 ILE 40 - HB2 ARG 27 far 0 40 0 - 5.6-7.8 QD1 ILE 40 - HB3 ARG 27 far 0 42 0 - 5.9-7.0 QD1 ILE 40 - HB2 ARG 71 far 0 44 0 - 6.1-9.2 QD1 ILE 40 - HB3 ARG 71 far 0 45 0 - 7.1-8.9 QD1 ILE 40 - HB3 PRO 34 far 0 95 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (2.72, 1.87, 30.55 ppm; 5.63 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 34 + HB3 PRO 34 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 ASP 46 - HB2 GLN 91 far 0 45 0 - 7.5-52.8 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (3.54, 1.87, 30.55 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HB3 PRO 34 OK 100 100 100 100 3.0-3.9 3.0=100 HD3 PRO 36 - HB3 PRO 34 far 0 68 0 - 6.7-8.1 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (4.32, 1.76, 26.58 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + HG2 PRO 34 OK 100 100 100 100 3.9-4.0 3.8=100 HA ALA 16 - HG2 PRO 34 far 0 99 0 - 8.0-24.2 Violated in 0 structures by 0.00 A. 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; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 LYS 39 - HG2 PRO 34 far 0 85 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 40 - HG2 PRO 34 far 0 95 0 - 6.8-8.0 Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (2.72, 1.76, 26.58 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (3.54, 1.76, 26.58 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG2 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 36 - HG2 PRO 34 far 0 68 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (4.32, 1.04, 26.58 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 34 + HG3 PRO 34 OK 100 100 100 100 3.9-4.0 3.8=100 HA ALA 16 - HG3 PRO 34 far 0 99 0 - 8.4-24.4 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (1.78, 1.04, 26.58 ppm; 3.31 A): 2 out of 9 assignments used, quality = 1.00: * HB2 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HG2 PRO 34 + HG3 PRO 34 OK 83 83 100 100 1.8-1.8 1.8=100 HB ILE 33 - HG3 PRO 34 far 0 97 0 - 5.7-6.6 HB2 LEU 57 - HG3 PRO 34 far 0 95 0 - 6.3-7.1 HB2 LYS 13 - HG3 PRO 34 far 0 97 0 - 6.5-25.5 HB2 ARG 54 - HG3 PRO 34 far 0 93 0 - 6.6-8.1 HB3 LYS 32 - HG3 PRO 34 far 0 99 0 - 7.1-8.2 HB2 LYS 32 - HG3 PRO 34 far 0 99 0 - 7.1-8.1 HB3 LYS 39 - HG3 PRO 34 far 0 100 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (1.87, 1.04, 26.58 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 LYS 39 - HG3 PRO 34 far 0 85 0 - 7.6-10.3 HB2 MET 11 - HG3 PRO 34 far 0 97 0 - 9.3-33.4 Violated in 0 structures by 0.00 A. Peak 1731 from cnoeabs.peaks (1.76, 1.04, 26.58 ppm; 3.05 A): 2 out of 10 assignments used, quality = 1.00: * HG2 PRO 34 + HG3 PRO 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 34 + HG3 PRO 34 OK 83 83 100 100 2.3-3.0 2.3=100 HB ILE 33 - HG3 PRO 34 far 0 98 0 - 5.7-6.6 HB2 LEU 57 - HG3 PRO 34 far 0 99 0 - 6.3-7.1 HB2 ARG 54 - HG3 PRO 34 far 0 99 0 - 6.6-8.1 HB3 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.1-8.2 HB2 LYS 32 - HG3 PRO 34 far 0 93 0 - 7.1-8.1 HB3 LYS 39 - HG3 PRO 34 far 0 76 0 - 8.1-11.5 HB3 ARG 17 - HG3 PRO 34 far 0 90 0 - 8.4-20.5 HB2 LEU 62 - HG3 PRO 34 far 0 95 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HD2 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1734 from cnoeabs.peaks (3.54, 1.04, 26.58 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 34 + HG3 PRO 34 OK 100 100 100 100 2.3-3.0 2.3=100 HD3 PRO 36 - HG3 PRO 34 far 0 68 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (6.31, 4.99, 52.48 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HA PHE 35 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 PHE 35 + HA PHE 35 OK 100 100 100 100 2.6-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (2.91, 4.99, 52.48 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 35 + HA PHE 35 OK 100 100 100 100 2.4-2.4 3.0=100 HB3 TYR 55 - HA PHE 35 far 0 63 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (6.31, 2.85, 38.77 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HB2 PHE 35 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1742 from cnoeabs.peaks (4.99, 2.85, 38.77 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 35 + HB2 PHE 35 OK 100 100 100 100 2.6-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1743 from cnoeabs.peaks (2.85, 2.85, 38.77 ppm; diagonal): 2 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; 2.74 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 35 + HB2 PHE 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 49 - HB3 PHE 48 far 0 52 0 - 6.1-6.2 HB3 TYR 55 - HB2 PHE 35 far 0 63 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 1746 from cnoeabs.peaks (6.65, 2.85, 38.77 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 35 + HB2 PHE 35 OK 100 100 100 100 2.4-2.4 2.6=100 QD PHE 35 - HB3 PHE 48 far 0 61 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.4 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (2.85, 2.91, 38.77 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 35 + HB3 PHE 35 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 2.6=100 Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (2.85, 6.65, 132.92 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.99: * HB2 PHE 35 + QD PHE 35 OK 99 99 100 100 2.4-2.4 2.6=100 HB3 PHE 48 - QD PHE 35 far 0 60 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 1756 from cnoeabs.peaks (2.91, 6.65, 132.92 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 35 + QD PHE 35 OK 99 99 100 100 2.3-2.4 2.6=100 HB3 TYR 55 + QD PHE 35 OK 60 60 100 100 3.8-4.6 2.5/4629=86, 1.8/5715=61...(15) Violated in 0 structures by 0.00 A. Peak 1757 from cnoeabs.peaks (6.94, 6.65, 132.92 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * QE PHE 35 + QD PHE 35 OK 99 99 100 100 2.2-2.2 2.2=100 HZ PHE 35 + QD PHE 35 OK 99 99 100 100 3.8-3.8 3.8=100 HZ PHE 48 - QD PHE 35 far 0 99 0 - 8.0-8.5 HD22 ASN 42 - QD PHE 35 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. 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; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1760 from cnoeabs.peaks (2.12, 3.87, 50.78 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.60: HG3 PRO 36 + HD2 PRO 36 OK 60 60 100 100 2.3-2.3 2.3=100 ! HB2 PRO 36 - HD2 PRO 36 far 0 100 0 - 3.9-3.9 HB ILE 40 - HD2 PRO 36 far 0 100 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (2.45, 3.87, 50.78 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 MET 11 - HD2 PRO 36 far 0 100 0 - 9.6-33.9 Violated in 0 structures by 0.00 A. Peak 1762 from cnoeabs.peaks (2.09, 3.87, 50.78 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1763 from cnoeabs.peaks (2.10, 3.87, 50.78 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 36 + HD2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 36 - HD2 PRO 36 far 0 60 0 - 3.9-3.9 HB ILE 40 - HD2 PRO 36 far 0 63 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD3 PRO 36 + HD2 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 PRO 34 - HD2 PRO 36 far 0 68 0 - 8.7-8.8 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (2.12, 3.57, 50.78 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.60: HG3 PRO 36 + HD3 PRO 36 OK 60 60 100 100 2.7-2.7 2.3=100 ! HB2 PRO 36 - HD3 PRO 36 far 0 100 0 - 4.0-4.0 HB ILE 40 - HD3 PRO 36 far 0 100 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 1768 from cnoeabs.peaks (2.45, 3.57, 50.78 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1769 from cnoeabs.peaks (2.09, 3.57, 50.78 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HB3 MET 31 - HD3 PRO 34 far 0 28 0 - 6.6-7.1 HB2 PRO 56 - HD3 PRO 34 far 0 44 0 - 7.6-9.3 HG3 PRO 56 - HD3 PRO 34 far 0 45 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 1770 from cnoeabs.peaks (2.10, 3.57, 50.78 ppm; 3.33 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 36 - HD3 PRO 36 far 0 60 0 - 4.0-4.0 HB3 MET 31 - HD3 PRO 34 far 0 26 0 - 6.6-7.1 HB2 PRO 56 - HD3 PRO 34 far 0 43 0 - 7.6-9.3 HG3 PRO 56 - HD3 PRO 34 far 0 44 0 - 7.6-9.5 HB ILE 40 - HD3 PRO 36 far 0 63 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 1771 from cnoeabs.peaks (3.87, 3.57, 50.78 ppm; 2.84 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 36 + HD3 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 HA ILE 33 + HD3 PRO 34 OK 32 35 100 90 2.3-2.3 3.8=43, 4216/1.8=40...(14) HA ILE 33 - HD3 PRO 36 far 0 89 0 - 8.3-8.3 HD2 PRO 36 - HD3 PRO 34 far 0 45 0 - 8.7-8.8 HA LEU 51 - HD3 PRO 36 far 0 81 0 - 8.8-9.3 HA LEU 51 - HD3 PRO 34 far 0 31 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 1772 from cnoeabs.peaks (3.57, 3.57, 50.78 ppm; diagonal): 2 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): 1 out of 3 assignments used, quality = 1.00: * HB2 PRO 36 + HA PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 PRO 36 - HA PRO 36 far 0 60 0 - 4.0-4.0 HB ILE 40 - HA PRO 36 far 0 100 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (2.45, 4.61, 62.34 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 36 + HA PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1776 from cnoeabs.peaks (2.09, 4.61, 62.34 ppm; 3.90 A increased from 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 36 + HA PRO 36 OK 100 100 100 100 3.9-3.9 3.8=100 HG3 PRO 36 + HA PRO 36 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1777 from cnoeabs.peaks (2.10, 4.61, 62.34 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.60: HB2 PRO 36 + HA PRO 36 OK 60 60 100 100 2.7-2.7 2.3=100 HG2 PRO 36 - HA PRO 36 far 0 100 0 - 3.9-3.9 ! HG3 PRO 36 - HA PRO 36 far 0 100 0 - 4.0-4.0 HB ILE 40 - HA PRO 36 far 0 63 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (4.61, 2.12, 32.41 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 PRO 36 + HB2 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (2.09, 2.12, 32.41 ppm; 2.68 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 36 + HB2 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 36 + HB2 PRO 36 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 SER 22 - HB2 PRO 36 far 0 78 0 - 7.6-12.7 HA ILE 33 - HB2 PRO 36 far 0 89 0 - 9.9-9.9 Violated in 0 structures by 0.00 A. Peak 1786 from cnoeabs.peaks (3.57, 2.12, 32.41 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 36 + HB2 PRO 36 OK 100 100 100 100 4.0-4.0 3.0=100 HA VAL 41 - HB2 PRO 36 far 0 96 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 1787 from cnoeabs.peaks (4.61, 2.45, 32.41 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (2.12, 2.45, 32.41 ppm; 2.66 A): 3 out of 4 assignments used, quality = 1.00: * HB2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 36 + HB3 PRO 36 OK 60 60 100 100 2.3-2.3 2.3=100 HG3 PRO 44 + HB2 PRO 44 OK 46 46 100 100 2.3-2.3 2.3=100 HB ILE 40 - HB3 PRO 36 far 0 100 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 1789 from cnoeabs.peaks (2.45, 2.45, 32.41 ppm; diagonal): 2 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; 2.74 A): 3 out of 4 assignments used, quality = 1.00: * HG2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 44 + HB2 PRO 44 OK 56 56 100 100 1.8-1.8 1.8=100 HB VAL 45 - HB2 PRO 44 far 0 29 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 1791 from cnoeabs.peaks (2.10, 2.45, 32.41 ppm; 2.74 A): 4 out of 5 assignments used, quality = 1.00: * HG3 PRO 36 + HB3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HB2 PRO 36 + HB3 PRO 36 OK 60 60 100 100 1.8-1.8 1.8=100 HB3 PRO 44 + HB2 PRO 44 OK 55 55 100 100 1.8-1.8 1.8=100 HB ILE 40 - HB3 PRO 36 far 0 63 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 1792 from cnoeabs.peaks (3.87, 2.45, 32.41 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 36 + HB3 PRO 36 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 22 - HB3 PRO 36 far 0 78 0 - 8.5-13.4 HA ILE 33 - HB3 PRO 36 far 0 89 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (3.57, 2.45, 32.41 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 36 + HB3 PRO 36 OK 100 100 100 100 3.9-3.9 3.0=100 HA VAL 41 - HB2 PRO 44 far 0 50 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (4.61, 2.09, 27.61 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.9-3.9 3.8=100 HA PRO 36 + HG3 PRO 36 OK 100 100 100 100 4.0-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (2.12, 2.09, 27.61 ppm; 2.40 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 PRO 36 + HG2 PRO 36 OK 60 60 100 100 1.8-1.8 1.8=100 HB ILE 40 - HG2 PRO 36 far 0 100 0 - 6.8-7.3 HB ILE 40 - HG3 PRO 36 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 1796 from cnoeabs.peaks (2.45, 2.09, 27.61 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 MET 11 - HG3 PRO 56 far 0 75 0 - 9.2-33.1 HG2 MET 11 - HG3 PRO 36 far 0 100 0 - 9.9-35.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HD2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 SER 22 - HG2 PRO 36 far 0 78 0 - 9.7-14.8 HA ILE 33 - HG2 PRO 36 far 0 89 0 - 9.8-9.8 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (3.57, 2.09, 27.61 ppm; 3.33 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 34 - HG3 PRO 56 far 0 44 0 - 7.6-9.5 HA VAL 41 - HG2 PRO 36 far 0 96 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (4.61, 2.10, 27.61 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 36 + HG3 PRO 36 OK 100 100 100 100 4.0-4.0 3.8=100 HA PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.9-3.9 3.8=100 Violated in 0 structures by 0.00 A. 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; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HG2 MET 11 - HG3 PRO 56 far 0 74 0 - 9.2-33.1 HG2 MET 11 - HG3 PRO 36 far 0 100 0 - 9.9-35.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 36 + HG2 PRO 36 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 SER 22 - HG2 PRO 36 far 0 78 0 - 9.7-14.8 HA ILE 33 - HG2 PRO 36 far 0 88 0 - 9.8-9.8 HA ILE 33 - HG3 PRO 56 far 0 60 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1807 from cnoeabs.peaks (3.57, 2.10, 27.61 ppm; 3.33 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 36 + HG3 PRO 36 OK 100 100 100 100 2.7-2.7 2.3=100 HD3 PRO 36 + HG2 PRO 36 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 34 - HG3 PRO 56 far 0 43 0 - 7.6-9.5 HA VAL 41 - HG2 PRO 36 far 0 95 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 1808 from cnoeabs.peaks (8.81, 3.94, 64.91 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HA THR 37 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB THR 37 + HA THR 37 OK 100 100 100 100 2.4-2.5 3.0=100 HA LYS 39 - HA THR 37 far 0 65 0 - 6.3-6.6 Violated in 0 structures by 0.00 A. Peak 1811 from cnoeabs.peaks (1.17, 3.94, 64.91 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 37 + HA THR 37 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 THR 15 - HA THR 37 far 0 83 0 - 7.1-21.2 Violated in 0 structures by 0.00 A. Peak 1812 from cnoeabs.peaks (8.81, 4.22, 68.34 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HB THR 37 OK 100 100 100 100 2.7-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (3.94, 4.22, 68.34 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * HA THR 37 + HB THR 37 OK 100 100 100 100 2.4-2.5 3.0=100 HA ALA 28 - HB THR 37 far 0 78 0 - 4.5-6.4 HA2 GLY 72 - HB THR 37 far 0 65 0 - 6.1-9.4 HA3 GLY 18 - HB THR 37 far 0 99 0 - 7.2-19.6 HA3 GLY 21 - HB THR 37 far 0 92 0 - 7.3-12.9 HA2 GLY 18 - HB THR 37 far 0 99 0 - 8.4-20.3 HA2 GLY 21 - HB THR 37 far 0 90 0 - 8.6-13.3 HA GLN 61 - HB THR 37 far 0 60 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. 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; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 37 + HB THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 15 - HB THR 37 far 0 83 0 - 7.1-21.2 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (8.81, 1.17, 22.48 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + QG2 THR 37 OK 100 100 100 100 1.9-2.3 586=100, 119/4.1=47, 3.6/4269=26 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (3.94, 1.17, 22.48 ppm; 3.41 A): 2 out of 9 assignments used, quality = 1.00: * HA THR 37 + QG2 THR 37 OK 100 100 100 100 2.2-3.2 3.2=100 HA ALA 28 + QG2 THR 37 OK 29 78 45 82 3.3-5.8 2.1/6128=67...(5) HA3 GLY 21 - QG2 THR 37 far 0 92 0 - 4.3-10.1 HA2 GLY 21 - QG2 THR 37 far 0 90 0 - 5.3-10.2 HA3 GLY 18 - QG2 THR 37 far 0 99 0 - 6.2-14.7 HA2 GLY 72 - QG2 THR 37 far 0 65 0 - 6.3-8.7 HA2 GLY 18 - QG2 THR 37 far 0 99 0 - 6.8-15.4 HA GLN 61 - QG2 THR 37 far 0 60 0 - 8.3-11.1 HA LEU 62 - QG2 THR 37 far 0 96 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 1818 from cnoeabs.peaks (4.22, 1.17, 22.48 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 37 + QG2 THR 37 OK 100 100 100 100 2.1-2.1 2.1=100 HA LYS 39 - QG2 THR 37 far 0 65 0 - 6.4-7.6 HA THR 15 - QG2 THR 37 far 0 76 0 - 7.4-18.7 Violated in 0 structures by 0.00 A. 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; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + HA ASP 38 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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; 2.91 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.4-3.0 3.0=92, 589/3.0=18...(10) HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=18...(10) Violated in 0 structures by 0.00 A. Peak 1823 from cnoeabs.peaks (2.62, 4.28, 56.69 ppm; 2.91 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 38 + HA ASP 38 OK 97 100 100 97 2.4-3.0 3.0=92, 589/3.0=18...(10) * HB3 ASP 38 + HA ASP 38 OK 97 100 100 97 2.3-3.0 3.0=92, 590/3.0=18...(10) Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (8.70, 2.62, 40.03 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 38 + HB2 ASP 38 OK 97 100 100 97 2.2-3.6 4.0=80, 590/1.8=37...(9) H ASP 38 + HB3 ASP 38 OK 97 100 100 97 2.3-3.6 4.0=80, 589/1.8=37...(9) Violated in 0 structures by 0.00 A. Peak 1825 from cnoeabs.peaks (4.28, 2.62, 40.03 ppm; 3.17 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 38 + HB2 ASP 38 OK 100 100 100 100 2.4-3.0 3.0=100 HA ASP 38 + HB3 ASP 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 20 - HB2 ASP 38 far 0 87 0 - 3.8-16.3 HA LYS 39 - HB3 ASP 38 far 0 60 0 - 3.9-5.7 HA LYS 39 - HB2 ASP 38 far 0 60 0 - 4.2-5.5 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 4.4-16.6 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 4.6-21.6 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 5.0-21.4 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 6.5-17.3 HA GLU 19 - HB2 ASP 38 far 0 78 0 - 7.9-17.4 Violated in 0 structures by 0.00 A. 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 = 1.00: H ASP 38 + HB2 ASP 38 OK 97 100 100 97 2.2-3.6 4.0=80, 590/1.8=37...(9) * H ASP 38 + HB3 ASP 38 OK 97 100 100 97 2.3-3.6 4.0=80, 589/1.8=37...(9) Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (4.28, 2.62, 40.03 ppm; 3.17 A): 2 out of 10 assignments used, quality = 1.00: * HA ASP 38 + HB3 ASP 38 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 38 + HB2 ASP 38 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 20 - HB2 ASP 38 far 0 87 0 - 3.8-16.3 HA LYS 39 - HB3 ASP 38 far 0 60 0 - 3.9-5.7 HA LYS 39 - HB2 ASP 38 far 0 60 0 - 4.2-5.5 HA ALA 20 - HB3 ASP 38 far 0 87 0 - 4.4-16.6 HA ARG 17 - HB2 ASP 38 far 0 100 0 - 4.6-21.6 HA ARG 17 - HB3 ASP 38 far 0 100 0 - 5.0-21.4 HA GLU 19 - HB3 ASP 38 far 0 78 0 - 6.5-17.3 HA GLU 19 - HB2 ASP 38 far 0 78 0 - 7.9-17.4 Violated in 0 structures by 0.00 A. 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; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1835 from cnoeabs.peaks (1.78, 4.25, 57.41 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.4-2.8 3.0=100 HB2 ARG 69 - HA LYS 39 far 0 83 0 - 8.9-10.7 HB2 LYS 13 - HA LYS 39 far 0 99 0 - 8.9-32.9 Violated in 0 structures by 0.00 A. Peak 1836 from cnoeabs.peaks (1.55, 4.25, 57.41 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.2-3.6 4.1=89, 1.8/1837=87...(23) Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (1.40, 4.25, 57.41 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.99: * HG3 LYS 39 + HA LYS 39 OK 99 100 100 99 2.5-2.7 1873=63, 1.8/1836=57...(23) QB ALA 20 - HA LYS 39 far 0 65 0 - 7.4-17.9 HG3 ARG 69 - HA LYS 39 far 0 63 0 - 7.9-9.4 HB3 ARG 69 - HA LYS 39 far 0 97 0 - 8.5-10.8 HG3 LYS 73 - HA LYS 39 far 0 89 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 4.74 A increased from 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.4-5.0 3.0/1837=88, 5.0=83...(43) HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-4.6 3.0/1837=88, 5.0=83...(37) HB3 LEU 51 - HA LYS 39 far 0 90 0 - 7.6-9.1 HD3 LYS 73 - HA LYS 39 far 0 65 0 - 9.4-13.3 HD2 LYS 73 - HA LYS 39 far 0 65 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (1.58, 4.25, 57.41 ppm; 4.74 A increased from 3.79 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.4-5.0 3.0/1837=88, 5.0=83...(43) * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.9-4.6 3.0/1837=88, 5.0=83...(37) HB3 LEU 51 - HA LYS 39 far 0 89 0 - 7.6-9.1 HD3 LYS 73 - HA LYS 39 far 0 63 0 - 9.4-13.3 HD2 LYS 73 - HA LYS 39 far 0 63 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 1842 from cnoeabs.peaks (7.39, 1.85, 32.41 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (4.25, 1.85, 32.41 ppm; 3.41 A): 2 out of 11 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-3.0 3.0=100 HA LYS 75 + HB2 LYS 75 OK 85 85 100 100 2.4-3.0 3.0=100 HA ASP 38 - HB2 LYS 39 far 0 60 0 - 5.7-6.2 HB THR 37 - HB2 LYS 39 far 0 65 0 - 6.7-7.6 HA ALA 77 - HB2 LYS 75 far 0 72 0 - 7.2-8.1 HA ALA 20 - HB2 LYS 39 far 0 97 0 - 7.3-19.7 HA ASP 38 - HB2 LYS 75 far 0 46 0 - 7.9-10.4 HA GLU 19 - HB2 LYS 39 far 0 99 0 - 9.0-19.7 HB THR 37 - HB2 LYS 75 far 0 51 0 - 9.2-13.2 HA ARG 17 - HB2 LYS 39 far 0 63 0 - 9.4-21.2 HA THR 15 - HB2 LYS 39 far 0 100 0 - 9.7-27.6 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 75 + HB2 LYS 75 OK 86 86 100 100 1.8-1.8 1.8=100 HB3 LYS 73 - HB2 LYS 75 far 0 86 0 - 6.7-8.5 HB ILE 33 - HB2 LYS 39 far 0 93 0 - 7.7-7.9 HG2 PRO 34 - HB2 LYS 39 far 0 76 0 - 8.3-10.3 HB2 ARG 54 - HB2 LYS 39 far 0 89 0 - 8.4-10.8 HB2 PRO 34 - HB2 LYS 39 far 0 100 0 - 8.5-10.6 HB2 ARG 69 - HB2 LYS 39 far 0 83 0 - 8.8-10.8 HB2 LYS 13 - HB2 LYS 39 far 0 99 0 - 9.1-30.4 Violated in 0 structures by 0.00 A. Peak 1846 from cnoeabs.peaks (1.55, 1.85, 32.41 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 ARG 54 - HB2 LYS 39 far 0 100 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 1847 from cnoeabs.peaks (1.40, 1.85, 32.41 ppm; 3.54 A): 3 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.3-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 75 75 100 100 2.3-3.0 2.7=100 QB ALA 78 - HB2 LYS 75 far 0 72 0 - 4.8-8.6 QB ALA 77 - HB2 LYS 75 far 0 46 0 - 5.8-6.7 QB ALA 20 - HB2 LYS 39 far 0 65 0 - 6.3-17.2 HG3 LYS 73 - HB2 LYS 75 far 0 72 0 - 6.7-8.9 HG3 ARG 69 - HB2 LYS 39 far 0 63 0 - 8.2-9.9 HB3 ARG 69 - HB2 LYS 39 far 0 97 0 - 8.5-10.9 HG3 ARG 69 - HB2 LYS 75 far 0 48 0 - 9.5-13.8 HG2 LYS 13 - HB2 LYS 39 far 0 85 0 - 9.8-33.0 HB3 ARG 69 - HB2 LYS 75 far 0 82 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 1848 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.5 3.5=100 * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=100 HB3 LEU 51 - HB2 LYS 39 far 0 90 0 - 5.7-7.8 HD3 LYS 73 - HB2 LYS 75 far 0 51 0 - 6.7-10.6 HD2 LYS 73 - HB2 LYS 75 far 0 51 0 - 7.2-9.9 HG3 ARG 70 - HB2 LYS 75 far 0 46 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (1.58, 1.85, 32.41 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.5 3.5=100 HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=100 HB3 LEU 51 - HB2 LYS 39 far 0 89 0 - 5.7-7.8 HD3 LYS 73 - HB2 LYS 75 far 0 48 0 - 6.7-10.6 HD2 LYS 73 - HB2 LYS 75 far 0 48 0 - 7.2-9.9 Violated in 0 structures by 0.00 A. Peak 1850 from cnoeabs.peaks (2.98, 1.85, 32.41 ppm; 4.93 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.7-4.8 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 95 100 95 100 3.8-5.4 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.0-4.8 5.0=98, 6.7/803=34...(28) HE3 LYS 75 + HB2 LYS 75 OK 68 72 95 100 2.3-5.4 5.0=98, 6.7/803=34...(34) HE2 LYS 73 - HB2 LYS 75 far 0 58 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 55 0 - 7.0-11.4 Violated in 0 structures by 0.00 A. Peak 1851 from cnoeabs.peaks (2.98, 1.85, 32.41 ppm; 4.93 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.7-4.8 4.7=100 * HE3 LYS 39 + HB2 LYS 39 OK 95 100 95 100 3.8-5.4 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 70 70 100 100 2.0-4.8 5.0=98, 6.7/803=34...(28) HE3 LYS 75 + HB2 LYS 75 OK 65 68 95 100 2.3-5.4 5.0=98, 6.7/803=34...(34) HE2 LYS 73 - HB2 LYS 75 far 0 53 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 51 0 - 7.0-11.4 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (7.39, 1.78, 32.41 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-2.7 4.0=100 H LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-30.6 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (4.25, 1.78, 32.41 ppm; 3.23 A): 4 out of 21 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-2.8 3.0=100 HA LYS 83 + HB2 LYS 83 OK 92 92 100 100 2.4-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 91 91 100 100 2.4-3.0 3.0=100 HA LYS 85 + HB2 LYS 85 OK 53 53 100 100 2.4-3.0 3.0=100 HA ALA 12 - HB2 LYS 13 far 0 97 0 - 4.7-5.9 HA ALA 77 - HB3 LYS 73 far 0 87 0 - 4.9-7.5 HA THR 15 - HB2 LYS 13 far 0 98 0 - 5.4-9.3 HA LYS 85 - HB2 LYS 83 far 0 71 0 - 5.5-8.4 HA LYS 83 - HB2 LYS 85 far 0 72 0 - 5.5-9.3 HA ASP 38 - HB3 LYS 39 far 0 60 0 - 5.5-6.0 HA ALA 77 - HB3 LYS 75 far 0 78 0 - 7.1-8.5 HA ALA 20 - HB3 LYS 39 far 0 97 0 - 7.1-19.9 HB THR 37 - HB3 LYS 39 far 0 65 0 - 7.2-8.1 HA LYS 75 - HB3 LYS 73 far 0 99 0 - 7.3-7.8 HA ALA 77 - HB2 LYS 83 far 0 79 0 - 7.9-14.5 HA ARG 17 - HB3 LYS 39 far 0 63 0 - 8.2-21.5 HA GLU 19 - HB3 LYS 39 far 0 99 0 - 8.7-19.9 HA ASP 38 - HB3 LYS 75 far 0 51 0 - 8.7-10.3 HA LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-32.9 HA THR 15 - HB3 LYS 39 far 0 100 0 - 9.2-28.5 HB THR 37 - HB3 LYS 75 far 0 56 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 1854 from cnoeabs.peaks (1.85, 1.78, 32.41 ppm; 2.40 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 75 + HB3 LYS 75 OK 86 86 100 100 1.8-1.8 1.8=100 HB3 PRO 34 - HB2 LYS 13 far 0 82 0 - 4.4-24.5 HB3 ARG 71 - HB3 LYS 75 far 0 93 0 - 4.4-9.0 HB2 ARG 71 - HB3 LYS 75 far 0 93 0 - 4.9-7.9 HB2 MET 11 - HB2 LYS 13 far 0 55 0 - 6.0-10.0 HB2 LYS 75 - HB3 LYS 73 far 0 94 0 - 6.7-8.5 HB2 ARG 71 - HB3 LYS 73 far 0 99 0 - 7.3-8.7 HB3 ARG 71 - HB3 LYS 73 far 0 99 0 - 7.7-8.8 HB2 ARG 23 - HB3 LYS 75 far 0 90 0 - 8.1-14.8 HB2 LYS 39 - HB2 LYS 13 far 0 99 0 - 9.1-30.4 HB3 ARG 23 - HB3 LYS 75 far 0 91 0 - 9.1-13.8 HB2 ARG 17 - HB2 LYS 13 far 0 89 0 - 9.5-14.9 HB3 PRO 34 - HB3 LYS 39 far 0 85 0 - 9.9-11.6 HB2 ARG 66 - HB3 LYS 73 far 0 79 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. 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): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LEU 86 + HB2 LYS 85 OK 42 63 75 88 4.2-7.0 861/4.6=87, ~5255=3 HG2 ARG 82 - HB2 LYS 83 poor 18 73 25 - 4.5-8.3 HB3 LEU 86 - HB2 LYS 83 far 8 83 10 - 2.9-12.2 HG2 ARG 82 - HB2 LYS 85 far 3 55 5 - 5.0-14.0 HG3 ARG 23 - HB3 LYS 75 far 0 91 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 1857 from cnoeabs.peaks (1.40, 1.78, 32.41 ppm; 3.03 A): 6 out of 27 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 13 + HB2 LYS 13 OK 82 82 100 100 2.3-3.0 3.0=100 HG3 LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.3-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.3-3.0 2.7=100 HG2 LYS 85 + HB2 LYS 85 OK 42 42 100 100 2.3-3.0 2.9=100 QB ALA 77 - HB3 LYS 73 far 3 59 5 - 3.3-5.4 HG2 LYS 85 - HB2 LYS 83 far 0 57 0 - 4.5-11.5 QB ALA 78 - HB2 LYS 83 far 0 79 0 - 4.7-12.2 HG3 ARG 69 - HB3 LYS 73 far 0 61 0 - 4.9-7.7 QB ALA 78 - HB3 LYS 75 far 0 78 0 - 5.2-9.4 QB ALA 77 - HB3 LYS 75 far 0 51 0 - 5.4-7.1 HG3 LYS 75 - HB3 LYS 73 far 0 90 0 - 6.0-9.3 HG3 LYS 73 - HB3 LYS 75 far 0 78 0 - 6.6-8.7 HB3 ARG 69 - HB3 LYS 73 far 0 96 0 - 6.6-8.6 QB ALA 20 - HB3 LYS 39 far 0 65 0 - 6.6-17.4 QB ALA 78 - HB2 LYS 85 far 0 60 0 - 6.7-17.3 HG2 LYS 75 - HB3 LYS 73 far 0 90 0 - 6.8-9.3 QB ALA 78 - HB3 LYS 73 far 0 87 0 - 7.4-9.4 QB ALA 77 - HB2 LYS 83 far 0 52 0 - 7.8-12.3 HG3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.5-33.2 HG2 LYS 13 - HB3 LYS 39 far 0 85 0 - 9.1-33.6 HG3 ARG 69 - HB3 LYS 39 far 0 63 0 - 9.3-10.9 HG3 ARG 69 - HB3 LYS 75 far 0 53 0 - 9.5-12.9 QB ALA 77 - HB2 LYS 85 far 0 38 0 - 9.6-17.8 HB3 ARG 69 - HB3 LYS 39 far 0 97 0 - 9.8-12.1 HB3 ARG 69 - HB3 LYS 75 far 0 88 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.65 A): 4 out of 23 assignments used, quality = 1.00: HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-2.6 3.5=100 * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.8-3.7 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.1-3.6 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.2-4.2 3.5=100 HB3 LEU 86 - HB2 LYS 85 far 6 55 10 - 4.2-7.0 HG2 ARG 84 - HB2 LYS 83 far 4 89 5 - 4.6-8.1 HG LEU 86 - HB2 LYS 83 far 4 83 5 - 4.9-13.4 HB3 LEU 86 - HB2 LYS 83 far 4 73 5 - 2.9-12.2 HG2 ARG 84 - HB2 LYS 85 far 3 70 5 - 4.7-8.2 HG3 ARG 70 - HB3 LYS 73 far 0 59 0 - 5.1-8.7 HG3 ARG 84 - HB2 LYS 83 far 0 89 0 - 5.2-7.9 HG LEU 86 - HB2 LYS 85 far 0 63 0 - 5.3-8.7 HG3 ARG 84 - HB2 LYS 85 far 0 70 0 - 5.7-8.6 HD2 LYS 73 - HB3 LYS 75 far 0 56 0 - 6.7-9.8 HD3 LYS 73 - HB3 LYS 75 far 0 56 0 - 7.2-10.0 HD3 LYS 32 - HB2 LYS 13 far 0 57 0 - 7.3-26.8 HB3 LEU 51 - HB3 LYS 39 far 0 90 0 - 7.4-8.9 HD2 LYS 32 - HB2 LYS 13 far 0 63 0 - 7.6-27.9 HG3 ARG 70 - HB3 LYS 75 far 0 51 0 - 8.1-11.9 HD3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.4-30.7 HB3 LEU 29 - HB2 LYS 13 far 0 99 0 - 9.1-22.9 HD3 LYS 73 - HB2 LYS 83 far 0 57 0 - 9.5-20.5 HD2 LYS 39 - HB2 LYS 13 far 0 99 0 - 9.5-31.9 Violated in 0 structures by 0.00 A. Peak 1859 from cnoeabs.peaks (1.58, 1.78, 32.41 ppm; 4.65 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-2.6 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.8-3.7 3.5=100 HD3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.1-3.6 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.2-4.2 3.5=100 HB3 LEU 86 - HB2 LYS 85 far 6 57 10 - 4.2-7.0 HG2 ARG 84 - HB2 LYS 83 far 4 88 5 - 4.6-8.1 HG LEU 86 - HB2 LYS 83 far 4 81 5 - 4.9-13.4 HB3 LEU 86 - HB2 LYS 83 far 4 76 5 - 2.9-12.2 HG2 ARG 84 - HB2 LYS 85 far 3 69 5 - 4.7-8.2 HG3 ARG 84 - HB2 LYS 83 far 0 88 0 - 5.2-7.9 HG LEU 86 - HB2 LYS 85 far 0 62 0 - 5.3-8.7 HG3 ARG 84 - HB2 LYS 85 far 0 69 0 - 5.7-8.6 HD2 LYS 73 - HB3 LYS 75 far 0 53 0 - 6.7-9.8 HD3 LYS 73 - HB3 LYS 75 far 0 53 0 - 7.2-10.0 HB3 LEU 51 - HB3 LYS 39 far 0 89 0 - 7.4-8.9 HD2 LYS 32 - HB2 LYS 13 far 0 60 0 - 7.6-27.9 HD3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.4-30.7 HB3 LEU 29 - HB2 LYS 13 far 0 99 0 - 9.1-22.9 HD3 LYS 73 - HB2 LYS 83 far 0 55 0 - 9.5-20.5 HD2 LYS 39 - HB2 LYS 13 far 0 99 0 - 9.5-31.9 Violated in 0 structures by 0.00 A. Peak 1860 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.57 A increased from 4.30 A): 8 out of 23 assignments used, quality = 1.00: * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.5 4.7=93, ~1884=32...(22) HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-4.5 4.7=93, ~1884=32...(22) HE2 LYS 13 + HB2 LYS 13 OK 84 95 90 98 2.7-5.4 5.2=67, 1063/3.0=23...(21) HE3 LYS 13 + HB2 LYS 13 OK 83 94 90 98 2.2-5.5 5.2=67, 1064/3.0=24...(21) HE2 LYS 75 + HB3 LYS 75 OK 75 80 95 99 2.2-5.4 5.0=78, ~3030=21...(23) HE3 LYS 75 + HB3 LYS 75 OK 70 78 90 99 2.1-5.5 5.0=78, ~3030=20...(23) HE3 LYS 73 + HB3 LYS 73 OK 69 69 100 100 2.1-4.9 4.7=93, ~3020=34...(27) HE2 LYS 73 + HB3 LYS 73 OK 68 72 95 100 2.2-4.9 4.7=93, ~3020=34...(27) HB3 TYR 81 - HB2 LYS 83 far 5 94 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 73 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 71 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 63 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 61 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.2-32.6 HE2 LYS 75 - HB3 LYS 73 far 0 89 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 87 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 97 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 62 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 46 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 75 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 99 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 97 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (2.98, 1.78, 32.41 ppm; 4.57 A increased from 4.30 A): 8 out of 23 assignments used, quality = 1.00: HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-4.5 4.7=93, ~1884=32...(22) * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.5-4.5 4.7=93, ~1884=32...(22) HE2 LYS 13 + HB2 LYS 13 OK 82 93 90 98 2.7-5.4 5.2=67, 1063/3.0=23...(21) HE3 LYS 13 + HB2 LYS 13 OK 81 92 90 98 2.2-5.5 5.2=67, 1064/3.0=24...(21) HE2 LYS 75 + HB3 LYS 75 OK 72 76 95 99 2.2-5.4 5.0=78, ~3030=21...(23) HE3 LYS 75 + HB3 LYS 75 OK 66 74 90 99 2.1-5.5 5.0=78, ~3030=20...(23) HE3 LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.1-4.9 4.7=93, ~3020=34...(27) HE2 LYS 73 + HB3 LYS 73 OK 63 67 95 100 2.2-4.9 4.7=93, ~3020=34...(27) HB3 TYR 81 - HB2 LYS 83 far 5 94 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 68 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 65 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 58 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 56 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.2-32.6 HE2 LYS 75 - HB3 LYS 73 far 0 85 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 83 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 99 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 96 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 57 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 42 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 75 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 100 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 95 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1862 from cnoeabs.peaks (7.39, 1.55, 25.35 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 4.4-4.5 595=98, 593/2.9=84...(15) Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (4.25, 1.55, 25.35 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.2-3.6 4.1=100 HA ASP 38 - HG2 LYS 39 far 0 60 0 - 7.1-7.7 HB THR 37 - HG2 LYS 39 far 0 65 0 - 8.4-9.6 HA ALA 20 - HG2 LYS 39 far 0 97 0 - 9.6-21.9 Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (1.85, 1.55, 25.35 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 PRO 34 - HG2 LYS 39 far 0 85 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1865 from cnoeabs.peaks (1.78, 1.55, 25.35 ppm; 3.95 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 ARG 54 - HG2 LYS 39 far 0 89 0 - 8.1-9.3 HB2 PRO 34 - HG2 LYS 39 far 0 100 0 - 8.2-11.4 HB2 ARG 69 - HG2 LYS 39 far 0 83 0 - 8.2-11.2 HG2 PRO 34 - HG2 LYS 39 far 0 76 0 - 8.5-10.8 HB ILE 33 - HG2 LYS 39 far 0 93 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 69 - HG2 LYS 39 far 0 63 0 - 7.6-10.2 HB3 ARG 69 - HG2 LYS 39 far 0 97 0 - 7.9-12.8 QB ALA 20 - HG2 LYS 39 far 0 65 0 - 8.2-19.2 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.94 A increased from 2.48 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=98, 5.0/1836=17...(26) HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-2.9 3.0=98, 1884/2.9=23...(22) HB3 LEU 51 - HG2 LYS 39 far 0 90 0 - 5.8-6.6 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (1.58, 1.55, 25.35 ppm; 2.94 A increased from 2.48 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.6-2.9 3.0=98, 1884/2.9=23...(22) HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=98, 5.0/1836=17...(26) HB3 LEU 51 - HG2 LYS 39 far 0 89 0 - 5.8-6.6 HG3 ARG 54 - HG2 LYS 39 far 0 99 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (2.98, 1.55, 25.35 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 13 - HG2 LYS 39 far 0 97 0 - 8.4-34.4 Violated in 0 structures by 0.00 A. Peak 1871 from cnoeabs.peaks (2.98, 1.55, 25.35 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-4.1 3.6=100 HE2 LYS 13 - HG2 LYS 39 far 0 96 0 - 8.4-34.4 Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (7.39, 1.40, 25.35 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 4.4-4.5 596=87, 3.0/1837=83...(15) Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (4.25, 1.40, 25.35 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-2.7 1837=100, 1836/1.8=77...(23) HA ASP 38 - HG3 LYS 39 far 0 60 0 - 7.1-7.3 HB THR 37 - HG3 LYS 39 far 0 65 0 - 9.2-9.7 HA ALA 20 - HG3 LYS 39 far 0 97 0 - 9.6-22.3 HA ARG 17 - HG3 LYS 39 far 0 63 0 - 9.7-23.8 Violated in 0 structures by 0.00 A. Peak 1874 from cnoeabs.peaks (1.85, 1.40, 25.35 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1875 from cnoeabs.peaks (1.78, 1.40, 25.35 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 13 - HG3 LYS 39 far 0 99 0 - 8.5-33.2 HB2 ARG 54 - HG3 LYS 39 far 0 89 0 - 8.7-10.2 HB2 ARG 69 - HG3 LYS 39 far 0 83 0 - 9.5-11.5 HG2 PRO 34 - HG3 LYS 39 far 0 76 0 - 9.7-11.9 HB2 PRO 34 - HG3 LYS 39 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1876 from cnoeabs.peaks (1.55, 1.40, 25.35 ppm; 2.81 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 54 - HG3 LYS 39 far 0 100 0 - 9.2-10.9 HG3 ARG 54 - HG3 LYS 39 far 0 63 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. 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; 2.99 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 51 - HG3 LYS 39 far 0 90 0 - 6.4-7.6 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (1.58, 1.40, 25.35 ppm; 2.99 A increased from 2.82 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 * HD3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 51 - HG3 LYS 39 far 0 89 0 - 6.4-7.6 HG3 ARG 54 - HG3 LYS 39 far 0 99 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (2.98, 1.40, 25.35 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-3.9 3.6=100 HE2 LYS 13 - HG3 LYS 39 far 0 97 0 - 7.2-35.0 HE3 LYS 13 - HG3 LYS 39 far 0 97 0 - 8.8-35.6 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (2.98, 1.40, 25.35 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.1-3.9 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 13 - HG3 LYS 39 far 0 96 0 - 7.2-35.0 HE3 LYS 13 - HG3 LYS 39 far 0 95 0 - 8.8-35.6 Violated in 0 structures by 0.00 A. Peak 1883 from cnoeabs.peaks (4.25, 1.58, 28.78 ppm; 4.53 A): 2 out of 28 assignments used, quality = 1.00: HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.9-4.6 1837/3.0=83, 1836/3.0=75...(37) * HA LYS 39 + HD2 LYS 39 OK 40 100 40 100 2.4-5.0 1837/3.0=83, 1836/3.0=75...(43) HA ALA 77 - HD2 LYS 73 poor 10 52 20 - 3.8-8.9 HA ALA 77 - HD3 LYS 73 far 5 52 10 - 3.8-8.3 HA ASP 38 - HD3 LYS 39 far 0 60 0 - 6.1-8.1 HA THR 15 - HD3 LYS 32 far 0 59 0 - 6.2-28.0 HA ALA 12 - HD2 LYS 32 far 0 62 0 - 6.3-32.8 HA ASP 38 - HD2 LYS 39 far 0 60 0 - 6.5-9.1 HA THR 15 - HD2 LYS 32 far 0 65 0 - 6.5-28.7 HA ALA 12 - HD3 LYS 32 far 0 57 0 - 6.6-31.8 HA LYS 75 - HD3 LYS 73 far 0 64 0 - 7.3-10.5 HA LYS 75 - HD2 LYS 73 far 0 64 0 - 7.6-10.6 HA ARG 17 - HD3 LYS 32 far 0 31 0 - 8.3-23.1 HA ALA 20 - HD3 LYS 39 far 0 97 0 - 8.6-21.3 HA THR 15 - HD3 LYS 39 far 0 100 0 - 8.6-28.2 HA ASP 38 - HD3 LYS 73 far 0 32 0 - 8.7-12.7 HB THR 37 - HD3 LYS 39 far 0 65 0 - 8.7-9.5 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 9.1-20.8 HB THR 37 - HD2 LYS 39 far 0 65 0 - 9.2-10.6 HA LYS 39 - HD3 LYS 73 far 0 65 0 - 9.4-13.3 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 9.4-22.0 HA ARG 17 - HD2 LYS 32 far 0 34 0 - 9.4-23.5 HA ASP 38 - HD2 LYS 73 far 0 32 0 - 9.5-12.4 HA SER 60 - HD2 LYS 32 far 0 34 0 - 9.5-13.7 HA LYS 39 - HD2 LYS 73 far 0 65 0 - 9.5-13.5 HA ALA 20 - HD2 LYS 39 far 0 97 0 - 9.7-22.6 HA LYS 83 - HD3 LYS 73 far 0 63 0 - 9.8-18.5 HA THR 15 - HD2 LYS 39 far 0 100 0 - 9.9-29.6 Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (1.85, 1.58, 28.78 ppm; 3.43 A): 2 out of 18 assignments used, quality = 1.00: HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.5 3.5=92, 2.9/1869=31...(43) * HB2 LYS 39 + HD2 LYS 39 OK 75 100 75 100 2.9-3.9 3.5=92, 5111/5214=38...(41) HB2 LYS 75 - HD3 LYS 73 far 0 58 0 - 6.7-10.6 HB2 MET 11 - HD2 LYS 32 far 0 31 0 - 6.7-37.5 HB2 LYS 75 - HD2 LYS 73 far 0 58 0 - 7.2-9.9 HB2 ARG 17 - HD2 LYS 32 far 0 55 0 - 7.5-25.5 HB2 ARG 17 - HD3 LYS 32 far 0 50 0 - 7.6-25.2 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 7.9-12.5 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 8.0-11.3 HB2 ARG 71 - HD3 LYS 73 far 0 65 0 - 8.1-11.5 HB2 MET 11 - HD3 LYS 32 far 0 28 0 - 8.1-36.6 HB3 PRO 34 - HD2 LYS 32 far 0 49 0 - 8.2-11.6 HB3 PRO 34 - HD3 LYS 32 far 0 45 0 - 8.6-11.5 HB2 ARG 71 - HD2 LYS 73 far 0 65 0 - 8.9-11.1 HB3 ARG 71 - HD3 LYS 73 far 0 65 0 - 9.0-11.6 HB2 ARG 66 - HD3 LYS 73 far 0 46 0 - 9.1-14.3 HB2 ARG 66 - HD2 LYS 73 far 0 46 0 - 9.4-14.2 HB3 ARG 71 - HD2 LYS 73 far 0 65 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1885 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.12 A): 8 out of 32 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 98 100 100 98 2.1-2.6 3.5=69, 2.9/1869=27...(27) HB2 LYS 32 + HD2 LYS 32 OK 54 61 90 98 2.0-3.8 3.5=72, ~1558=14...(49) HB3 LYS 73 + HD2 LYS 73 OK 50 64 85 92 2.2-4.2 3.5=68, ~2963=14...(24) HB3 LYS 32 + HD2 LYS 32 OK 45 61 75 98 2.1-3.9 3.5=72, 1571/1.8=16...(49) * HB3 LYS 39 + HD2 LYS 39 OK 39 100 40 97 2.8-3.7 3.5=69, 5109/5214=28...(24) HB3 LYS 32 + HD3 LYS 32 OK 39 56 70 98 2.2-3.7 3.5=72, ~1558=14...(49) HB2 LYS 32 + HD3 LYS 32 OK 36 56 65 98 2.0-4.0 3.5=72, ~1558=14...(49) HB3 LYS 73 + HD3 LYS 73 OK 35 64 60 91 2.1-3.6 3.5=68, ~2963=14...(21) HB2 ARG 69 - HD3 LYS 73 far 0 47 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 47 0 - 5.6-10.0 HB3 LYS 75 - HD2 LYS 73 far 0 64 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 7.1-11.3 HB3 LYS 75 - HD3 LYS 73 far 0 64 0 - 7.2-10.0 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 58 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 63 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 8.1-9.5 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 65 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 8.4-30.7 HB ILE 33 - HD3 LYS 32 far 0 51 0 - 8.5-9.8 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 8.5-10.7 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 56 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 42 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 38 0 - 8.8-11.6 HB2 LYS 83 - HD3 LYS 73 far 0 65 0 - 9.5-20.5 HB2 LYS 13 - HD2 LYS 39 far 0 99 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1886 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 3.08 A increased from 2.47 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.6-2.9 3.0=100 HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 7.6-11.1 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.6-11.0 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.6-12.2 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (1.40, 1.58, 28.78 ppm; 3.31 A): 4 out of 25 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 52 52 100 100 2.2-3.0 2.9=100 HG3 LYS 73 + HD2 LYS 73 OK 52 52 100 100 2.3-3.0 2.9=100 HG3 ARG 69 - HD3 LYS 73 far 2 34 5 - 3.5-8.0 QB ALA 77 - HD3 LYS 73 far 2 32 5 - 2.8-7.4 QB ALA 77 - HD2 LYS 73 far 2 32 5 - 3.0-8.0 HG3 ARG 69 - HD2 LYS 73 far 0 34 0 - 3.7-8.3 HG2 LYS 13 - HD2 LYS 32 far 0 49 0 - 5.0-29.4 HB3 ARG 69 - HD3 LYS 73 far 0 61 0 - 5.2-10.2 HB3 ARG 69 - HD2 LYS 73 far 0 61 0 - 5.9-10.3 HG2 LYS 13 - HD3 LYS 32 far 0 45 0 - 6.1-28.3 HG3 LYS 75 - HD2 LYS 73 far 0 55 0 - 6.6-12.0 HG2 LYS 75 - HD2 LYS 73 far 0 55 0 - 6.7-11.7 QB ALA 78 - HD2 LYS 73 far 0 52 0 - 7.6-11.6 QB ALA 78 - HD3 LYS 73 far 0 52 0 - 7.6-11.0 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.7-18.4 HG3 LYS 75 - HD3 LYS 73 far 0 55 0 - 7.8-12.1 HG2 LYS 75 - HD3 LYS 73 far 0 55 0 - 7.9-11.9 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 8.4-32.6 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 8.9-19.8 HG2 LYS 13 - HD2 LYS 39 far 0 85 0 - 9.3-33.1 HG3 ARG 69 - HD2 LYS 39 far 0 63 0 - 9.4-11.7 HB3 ARG 69 - HD2 LYS 39 far 0 97 0 - 9.6-13.1 HG3 ARG 69 - HD3 LYS 39 far 0 63 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 6 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): 5 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): 12 out of 25 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 42 42 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 41 41 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 41 41 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 38 38 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 37 37 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 55 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 54 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 60 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 61 0 - 5.9-27.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 7.9-14.1 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 53 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 53 0 - 9.2-13.9 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 52 0 - 9.2-14.1 HE2 LYS 13 - HD3 LYS 39 far 0 97 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.28 A): 12 out of 25 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 39 39 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 37 37 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 35 35 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 34 34 100 100 2.3-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 53 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 52 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 57 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 58 0 - 5.9-27.0 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 7.9-14.1 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 50 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 50 0 - 9.2-13.9 HE3 LYS 13 - HD3 LYS 39 far 0 94 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 49 0 - 9.2-14.1 HE2 LYS 13 - HD3 LYS 39 far 0 96 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 95 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1893 from cnoeabs.peaks (4.25, 1.58, 28.78 ppm; 4.55 A): 2 out of 25 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.9-4.6 1837/3.0=84, 1836/3.0=75...(37) HA LYS 39 + HD2 LYS 39 OK 40 100 40 100 2.4-5.0 1837/3.0=84, 1836/3.0=75...(43) HA ALA 77 - HD2 LYS 73 poor 10 50 20 - 3.8-8.9 HA ALA 77 - HD3 LYS 73 far 5 50 10 - 3.8-8.3 HA ASP 38 - HD3 LYS 39 far 0 60 0 - 6.1-8.1 HA ALA 12 - HD2 LYS 32 far 0 60 0 - 6.3-32.8 HA ASP 38 - HD2 LYS 39 far 0 60 0 - 6.5-9.1 HA THR 15 - HD2 LYS 32 far 0 62 0 - 6.5-28.7 HA LYS 75 - HD3 LYS 73 far 0 61 0 - 7.3-10.5 HA LYS 75 - HD2 LYS 73 far 0 61 0 - 7.6-10.6 HA ALA 20 - HD3 LYS 39 far 0 97 0 - 8.6-21.3 HA THR 15 - HD3 LYS 39 far 0 100 0 - 8.6-28.2 HA ASP 38 - HD3 LYS 73 far 0 31 0 - 8.7-12.7 HB THR 37 - HD3 LYS 39 far 0 65 0 - 8.7-9.5 HA GLU 19 - HD3 LYS 39 far 0 99 0 - 9.1-20.8 HB THR 37 - HD2 LYS 39 far 0 65 0 - 9.2-10.6 HA LYS 39 - HD3 LYS 73 far 0 63 0 - 9.4-13.3 HA ARG 17 - HD3 LYS 39 far 0 63 0 - 9.4-22.0 HA ARG 17 - HD2 LYS 32 far 0 32 0 - 9.4-23.5 HA ASP 38 - HD2 LYS 73 far 0 31 0 - 9.5-12.4 HA SER 60 - HD2 LYS 32 far 0 32 0 - 9.5-13.7 HA LYS 39 - HD2 LYS 73 far 0 63 0 - 9.5-13.5 HA ALA 20 - HD2 LYS 39 far 0 97 0 - 9.7-22.6 HA LYS 83 - HD3 LYS 73 far 0 60 0 - 9.8-18.5 HA THR 15 - HD2 LYS 39 far 0 100 0 - 9.9-29.6 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (1.85, 1.58, 28.78 ppm; 3.69 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.4-3.5 3.5=100 HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.9-3.9 3.5=100 HB2 LYS 75 - HD3 LYS 73 far 0 56 0 - 6.7-10.6 HB2 MET 11 - HD2 LYS 32 far 0 29 0 - 6.7-37.5 HB2 LYS 75 - HD2 LYS 73 far 0 56 0 - 7.2-9.9 HB2 ARG 17 - HD2 LYS 32 far 0 52 0 - 7.5-25.5 HB3 PRO 34 - HD2 LYS 39 far 0 85 0 - 7.9-12.5 HB3 PRO 34 - HD3 LYS 39 far 0 85 0 - 8.0-11.3 HB2 ARG 71 - HD3 LYS 73 far 0 63 0 - 8.1-11.5 HB3 PRO 34 - HD2 LYS 32 far 0 47 0 - 8.2-11.6 HB2 ARG 71 - HD2 LYS 73 far 0 63 0 - 8.9-11.1 HB3 ARG 71 - HD3 LYS 73 far 0 63 0 - 9.0-11.6 HB2 ARG 66 - HD3 LYS 73 far 0 44 0 - 9.1-14.3 HB2 ARG 66 - HD2 LYS 73 far 0 44 0 - 9.4-14.2 HB3 ARG 71 - HD2 LYS 73 far 0 63 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1895 from cnoeabs.peaks (1.78, 1.58, 28.78 ppm; 3.41 A): 6 out of 26 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.1-2.6 3.5=90, 2.9/1869=31...(27) HB3 LYS 39 + HD2 LYS 39 OK 85 100 85 100 2.8-3.7 3.5=90, 5109/5214=34...(24) HB3 LYS 73 + HD3 LYS 73 OK 60 62 100 98 2.1-3.6 3.5=89, ~2963=19...(22) HB3 LYS 73 + HD2 LYS 73 OK 57 62 95 98 2.2-4.2 3.5=89, ~2963=19...(24) HB3 LYS 32 + HD2 LYS 32 OK 56 59 95 100 2.1-3.9 3.5=94, ~1558=18...(49) HB2 LYS 32 + HD2 LYS 32 OK 53 59 90 100 2.0-3.8 3.5=94, ~1558=18...(49) HB2 ARG 69 - HD3 LYS 73 far 0 45 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 45 0 - 5.6-10.0 HB3 LYS 75 - HD2 LYS 73 far 0 62 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 76 0 - 7.1-11.3 HB3 LYS 75 - HD3 LYS 73 far 0 62 0 - 7.2-10.0 HG2 PRO 34 - HD2 LYS 39 far 0 76 0 - 7.3-12.4 HB2 ARG 54 - HD2 LYS 39 far 0 89 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 100 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 60 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 100 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 93 0 - 8.1-9.5 HB2 PRO 34 - HD2 LYS 32 far 0 62 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 99 0 - 8.4-30.7 HB2 ARG 54 - HD3 LYS 39 far 0 89 0 - 8.5-10.7 HB ILE 33 - HD2 LYS 39 far 0 93 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 54 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 40 0 - 8.8-10.6 HB2 LYS 83 - HD3 LYS 73 far 0 63 0 - 9.5-20.5 HB2 LYS 13 - HD2 LYS 39 far 0 99 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 83 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (1.55, 1.58, 28.78 ppm; 2.98 A increased from 2.51 A): 2 out of 6 assignments used, quality = 1.00: HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.6-2.9 3.0=100 HB3 ARG 54 - HD2 LYS 39 far 0 100 0 - 7.6-11.1 HB3 ARG 54 - HD3 LYS 39 far 0 100 0 - 8.6-11.0 HG3 ARG 54 - HD2 LYS 39 far 0 63 0 - 8.6-12.2 HG3 ARG 54 - HD3 LYS 39 far 0 63 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 1897 from cnoeabs.peaks (1.40, 1.58, 28.78 ppm; 3.37 A): 4 out of 24 assignments used, quality = 1.00: HG3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-2.9 3.0=100 * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 LYS 73 + HD3 LYS 73 OK 50 50 100 100 2.2-3.0 2.9=100 HG3 LYS 73 + HD2 LYS 73 OK 50 50 100 100 2.3-3.0 2.9=100 QB ALA 77 - HD2 LYS 73 far 3 31 10 - 3.0-8.0 HG3 ARG 69 - HD3 LYS 73 far 2 32 5 - 3.5-8.0 QB ALA 77 - HD3 LYS 73 far 2 31 5 - 2.8-7.4 HG3 ARG 69 - HD2 LYS 73 far 0 32 0 - 3.7-8.3 HG2 LYS 13 - HD2 LYS 32 far 0 47 0 - 5.0-29.4 HB3 ARG 69 - HD3 LYS 73 far 0 58 0 - 5.2-10.2 HB3 ARG 69 - HD2 LYS 73 far 0 58 0 - 5.9-10.3 HG3 LYS 75 - HD2 LYS 73 far 0 52 0 - 6.6-12.0 HG2 LYS 75 - HD2 LYS 73 far 0 52 0 - 6.7-11.7 QB ALA 78 - HD2 LYS 73 far 0 50 0 - 7.6-11.6 QB ALA 78 - HD3 LYS 73 far 0 50 0 - 7.6-11.0 QB ALA 20 - HD3 LYS 39 far 0 65 0 - 7.7-18.4 HG3 LYS 75 - HD3 LYS 73 far 0 52 0 - 7.8-12.1 HG2 LYS 75 - HD3 LYS 73 far 0 52 0 - 7.9-11.9 HG2 LYS 13 - HD3 LYS 39 far 0 85 0 - 8.4-32.6 QB ALA 20 - HD2 LYS 39 far 0 65 0 - 8.9-19.8 HG2 LYS 13 - HD2 LYS 39 far 0 85 0 - 9.3-33.1 HG3 ARG 69 - HD2 LYS 39 far 0 63 0 - 9.4-11.7 HB3 ARG 69 - HD2 LYS 39 far 0 97 0 - 9.6-13.1 HG3 ARG 69 - HD3 LYS 39 far 0 63 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (1.58, 1.58, 28.78 ppm; diagonal): 5 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): 5 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; 3.50 A): 10 out of 21 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 40 40 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 39 39 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HE3 LYS 13 - HD2 LYS 32 far 0 57 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 58 0 - 5.9-27.0 HB3 TYR 81 - HD2 LYS 73 far 0 63 0 - 7.9-14.1 HB3 TYR 81 - HD3 LYS 73 far 0 63 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 51 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 51 0 - 9.2-13.9 HE3 LYS 13 - HD3 LYS 39 far 0 97 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 50 0 - 9.2-14.1 HE2 LYS 13 - HD3 LYS 39 far 0 97 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 97 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1901 from cnoeabs.peaks (2.98, 1.58, 28.78 ppm; 3.50 A): 10 out of 21 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 37 37 100 100 2.3-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 36 36 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 34 34 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.4-3.0 3.0=100 HE3 LYS 13 - HD2 LYS 32 far 0 55 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 56 0 - 5.9-27.0 HB3 TYR 81 - HD2 LYS 73 far 0 63 0 - 7.9-14.1 HB3 TYR 81 - HD3 LYS 73 far 0 63 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 48 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 48 0 - 9.2-13.9 HE3 LYS 13 - HD3 LYS 39 far 0 95 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 47 0 - 9.2-14.1 HE2 LYS 13 - HD3 LYS 39 far 0 96 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 96 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 94 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (1.85, 2.98, 41.78 ppm; 4.68 A increased from 4.16 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.7-4.8 4.7=100 HB2 LYS 39 + HE3 LYS 39 OK 95 100 95 100 3.8-5.4 4.7=100 HB2 LYS 75 + HE2 LYS 75 OK 82 83 100 100 2.0-4.8 5.0=84, 803/6.7=30...(28) HB2 LYS 75 + HE3 LYS 75 OK 77 81 95 100 2.3-5.4 5.0=84, 803/6.7=30...(28) HB2 MET 11 - HE2 LYS 13 far 2 50 5 - 4.9-11.9 HB2 MET 11 - HE3 LYS 13 far 2 49 5 - 3.6-10.4 HB3 ARG 71 - HE2 LYS 75 far 0 90 0 - 5.1-13.1 HB3 ARG 71 - HE3 LYS 75 far 0 89 0 - 5.5-13.4 HB2 ARG 71 - HE2 LYS 75 far 0 90 0 - 6.3-11.6 HB3 PRO 34 - HE3 LYS 13 far 0 75 0 - 6.4-25.5 HB2 ARG 23 - HE3 LYS 75 far 0 85 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 87 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 66 0 - 6.8-11.5 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.9-12.1 HB3 PRO 34 - HE2 LYS 13 far 0 76 0 - 6.9-24.4 HB2 LYS 75 - HE3 LYS 73 far 0 63 0 - 7.0-11.4 HB2 ARG 71 - HE3 LYS 75 far 0 88 0 - 7.2-11.9 HB3 ARG 23 - HE3 LYS 75 far 0 86 0 - 7.7-15.5 HB3 PRO 34 - HE3 LYS 32 far 0 58 0 - 7.8-12.7 HB2 ARG 71 - HE3 LYS 73 far 0 71 0 - 7.8-12.3 HB3 ARG 23 - HE2 LYS 75 far 0 88 0 - 8.0-15.2 HB2 MET 11 - HE3 LYS 32 far 0 37 0 - 8.0-38.5 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 8.3-12.3 HB3 ARG 71 - HE3 LYS 73 far 0 71 0 - 8.4-12.6 HB2 MET 11 - HE2 LYS 32 far 0 35 0 - 8.5-37.7 HB2 ARG 71 - HE2 LYS 73 far 0 73 0 - 8.7-12.3 HB3 ARG 71 - HE2 LYS 73 far 0 73 0 - 8.7-12.6 HB2 ARG 17 - HE3 LYS 32 far 0 64 0 - 8.7-26.9 HB3 PRO 34 - HE2 LYS 32 far 0 56 0 - 8.9-12.8 HB2 ARG 66 - HE2 LYS 73 far 0 52 0 - 8.9-15.2 HB2 ARG 66 - HE3 LYS 73 far 0 50 0 - 9.0-14.5 HB2 ARG 27 - HE2 LYS 75 far 0 90 0 - 9.3-18.2 HB2 ARG 27 - HE3 LYS 75 far 0 88 0 - 9.6-19.0 HB2 ARG 17 - HE2 LYS 32 far 0 62 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 4.44 A increased from 3.74 A): 12 out of 52 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.5 4.7=86, ~1884=31...(22) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 75 + HE2 LYS 75 OK 83 89 95 98 2.2-5.4 5.0=72, 3.0/3075=21...(23) HB2 LYS 13 + HE2 LYS 13 OK 81 92 90 98 2.7-5.4 5.2=62, 3.0/1037=21...(21) HB2 LYS 13 + HE3 LYS 13 OK 80 91 90 98 2.2-5.5 5.2=62, 3.0/1037=22...(21) HB3 LYS 75 + HE3 LYS 75 OK 78 87 90 99 2.1-5.5 5.0=72, 3093/2.9=19...(23) HB2 LYS 32 + HE3 LYS 32 OK 68 72 95 100 2.6-5.1 4.6=92, ~1628=27...(43) HB3 LYS 73 + HE2 LYS 73 OK 68 72 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB2 LYS 32 + HE2 LYS 32 OK 66 69 95 100 2.0-4.8 4.6=92, ~1639=26...(43) HB3 LYS 73 + HE3 LYS 73 OK 66 70 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 32 + HE3 LYS 32 OK 57 72 80 100 2.3-5.1 4.6=92, ~1628=27...(43) HB3 LYS 32 + HE2 LYS 32 OK 55 69 80 100 3.3-5.1 4.6=92, ~1639=26...(43) HB3 LYS 32 - HE2 LYS 13 far 9 91 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 4 90 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 54 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 91 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 84 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 73 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 88 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 52 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 89 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 85 0 - 7.0-26.7 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 93 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 71 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 72 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 66 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 70 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 66 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 94 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 75 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 99 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 50 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 63 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 89 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 87 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 67 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 99 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 73 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 71 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 48 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 52 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 60 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 82 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 94 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.74 A increased from 3.52 A): 2 out of 11 assignments used, quality = 0.97: * HG2 LYS 39 + HE2 LYS 39 OK 85 100 85 100 2.3-4.1 3.6=100 HG2 LYS 39 + HE3 LYS 39 OK 80 100 80 100 2.0-4.2 3.6=100 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 6.8-11.0 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 6.8-12.2 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 6.8-10.9 HG3 ARG 23 - HE3 LYS 75 far 0 86 0 - 8.0-18.3 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 8.0-12.5 HG3 ARG 23 - HE2 LYS 75 far 0 88 0 - 8.2-18.0 HG2 LYS 39 - HE2 LYS 13 far 0 95 0 - 8.4-34.4 HB3 LEU 86 - HE2 LYS 73 far 0 62 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 60 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.67 A increased from 3.09 A): 10 out of 41 assignments used, quality = 1.00: HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-3.9 3.6=100 * HG3 LYS 39 + HE2 LYS 39 OK 85 100 85 100 2.0-4.0 3.6=100 HG3 LYS 75 + HE2 LYS 75 OK 75 78 95 100 2.0-4.2 3.5=100 HG2 LYS 75 + HE2 LYS 75 OK 75 78 95 100 2.1-4.2 3.5=100 HG2 LYS 13 + HE2 LYS 13 OK 72 76 95 99 2.2-4.1 3.8=89, 1.8/1037=20...(46) HG2 LYS 13 + HE3 LYS 13 OK 67 75 90 99 2.2-4.2 3.8=89, 1.8/1037=21...(50) HG2 LYS 75 + HE3 LYS 75 OK 65 77 85 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE3 LYS 75 OK 61 77 80 100 2.3-4.2 3.5=100 HG3 LYS 73 + HE2 LYS 73 OK 59 59 100 100 2.3-3.9 3.7=98, 2999/6.1=18...(47) HG3 LYS 73 + HE3 LYS 73 OK 48 57 85 100 2.0-4.2 3.7=98, 2999/6.1=18...(47) QB ALA 77 - HE3 LYS 73 far 4 35 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 39 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 37 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 37 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 73 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 75 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 68 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 66 0 - 5.2-11.2 HG2 LYS 13 - HE2 LYS 32 far 0 56 0 - 6.2-29.6 QB ALA 77 - HE2 LYS 75 far 0 49 0 - 6.5-9.3 HG3 LYS 39 - HE2 LYS 13 far 0 95 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 52 0 - 7.2-20.2 HG2 LYS 13 - HE3 LYS 32 far 0 58 0 - 7.4-30.3 QB ALA 77 - HE3 LYS 75 far 0 47 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 59 0 - 7.8-12.0 HG3 LYS 75 - HE3 LYS 73 far 0 60 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 53 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 75 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 60 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 57 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 62 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 94 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 62 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 73 0 - 9.1-13.0 HG2 LYS 13 - HE2 LYS 39 far 0 85 0 - 9.1-35.2 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 95 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 12 out of 36 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 41 41 100 100 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 38 38 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 37 37 100 100 2.3-3.0 3.0=100 HD3 LYS 32 - HE2 LYS 13 far 0 52 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 35 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 37 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 90 0 - 5.0-10.0 HB3 LEU 29 - HE3 LYS 13 far 0 93 0 - 5.1-24.7 HB3 LEU 29 - HE2 LYS 13 far 0 94 0 - 5.5-23.5 HD3 LYS 32 - HE3 LYS 13 far 0 51 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 56 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 57 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 90 0 - 6.0-9.1 HB3 LEU 29 - HE3 LYS 32 far 0 75 0 - 6.7-10.7 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 6.8-12.2 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.0-12.5 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 8.1-10.8 HD3 LYS 73 - HE2 LYS 75 far 0 53 0 - 8.7-14.0 HD2 LYS 73 - HE2 LYS 75 far 0 53 0 - 9.2-13.9 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 52 0 - 9.2-14.1 HG3 ARG 70 - HE2 LYS 75 far 0 49 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.5-33.1 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 9.8-33.3 HB3 LEU 86 - HE2 LYS 73 far 0 54 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 52 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 10 out of 29 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 40 40 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 39 39 100 100 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 39 39 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 far 0 88 0 - 5.0-10.0 HB3 LEU 29 - HE3 LYS 13 far 0 93 0 - 5.1-24.7 HB3 LEU 29 - HE2 LYS 13 far 0 94 0 - 5.5-23.5 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 55 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 89 0 - 6.0-9.1 HB3 LEU 29 - HE3 LYS 32 far 0 76 0 - 6.7-10.7 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 6.8-12.2 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.0-12.5 HB3 LEU 29 - HE2 LYS 32 far 0 73 0 - 8.1-10.8 HD3 LYS 73 - HE2 LYS 75 far 0 51 0 - 8.7-14.0 HD2 LYS 73 - HE2 LYS 75 far 0 51 0 - 9.2-13.9 HD3 LYS 39 - HE3 LYS 13 far 0 94 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 50 0 - 9.2-14.1 HD3 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 95 0 - 9.5-33.1 HD2 LYS 39 - HE3 LYS 13 far 0 94 0 - 9.8-33.3 HB3 LEU 86 - HE2 LYS 73 far 0 56 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 53 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1910 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 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): 10 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; 4.68 A increased from 4.16 A): 4 out of 34 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.7-4.8 4.7=100 * HB2 LYS 39 + HE3 LYS 39 OK 95 100 95 100 3.8-5.4 4.7=100 HB2 LYS 75 + HE2 LYS 75 OK 79 79 100 100 2.0-4.8 5.0=84, 803/6.7=30...(28) HB2 LYS 75 + HE3 LYS 75 OK 73 77 95 100 2.3-5.4 5.0=84, 803/6.7=30...(28) HB2 MET 11 - HE2 LYS 13 far 2 48 5 - 4.9-11.9 HB2 MET 11 - HE3 LYS 13 far 2 47 5 - 3.6-10.4 HB3 ARG 71 - HE2 LYS 75 far 0 87 0 - 5.1-13.1 HB3 ARG 71 - HE3 LYS 75 far 0 85 0 - 5.5-13.4 HB2 ARG 71 - HE2 LYS 75 far 0 87 0 - 6.3-11.6 HB3 PRO 34 - HE3 LYS 13 far 0 72 0 - 6.4-25.5 HB2 ARG 23 - HE3 LYS 75 far 0 81 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 83 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 61 0 - 6.8-11.5 HB3 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.9-12.1 HB3 PRO 34 - HE2 LYS 13 far 0 74 0 - 6.9-24.4 HB2 LYS 75 - HE3 LYS 73 far 0 58 0 - 7.0-11.4 HB2 ARG 71 - HE3 LYS 75 far 0 85 0 - 7.2-11.9 HB3 ARG 23 - HE3 LYS 75 far 0 82 0 - 7.7-15.5 HB3 PRO 34 - HE3 LYS 32 far 0 53 0 - 7.8-12.7 HB2 ARG 71 - HE3 LYS 73 far 0 65 0 - 7.8-12.3 HB3 ARG 23 - HE2 LYS 75 far 0 84 0 - 8.0-15.2 HB2 MET 11 - HE3 LYS 32 far 0 34 0 - 8.0-38.5 HB3 PRO 34 - HE3 LYS 39 far 0 85 0 - 8.3-12.3 HB3 ARG 71 - HE3 LYS 73 far 0 65 0 - 8.4-12.6 HB2 MET 11 - HE2 LYS 32 far 0 32 0 - 8.5-37.7 HB2 ARG 71 - HE2 LYS 73 far 0 68 0 - 8.7-12.3 HB3 ARG 71 - HE2 LYS 73 far 0 68 0 - 8.7-12.6 HB2 ARG 17 - HE3 LYS 32 far 0 60 0 - 8.7-26.9 HB3 PRO 34 - HE2 LYS 32 far 0 51 0 - 8.9-12.8 HB2 ARG 66 - HE2 LYS 73 far 0 48 0 - 8.9-15.2 HB2 ARG 66 - HE3 LYS 73 far 0 46 0 - 9.0-14.5 HB2 ARG 27 - HE2 LYS 75 far 0 87 0 - 9.3-18.2 HB2 ARG 27 - HE3 LYS 75 far 0 85 0 - 9.6-19.0 HB2 ARG 17 - HE2 LYS 32 far 0 57 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (1.78, 2.98, 41.78 ppm; 4.44 A increased from 3.74 A): 12 out of 52 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-4.5 4.7=86, ~1884=31...(22) * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.5-4.5 4.7=86, ~1884=31...(22) HB3 LYS 75 + HE2 LYS 75 OK 80 86 95 98 2.2-5.4 5.0=72, 3.0/3075=20...(23) HB2 LYS 13 + HE2 LYS 13 OK 79 90 90 98 2.7-5.4 5.2=62, 3.0/1037=21...(21) HB2 LYS 13 + HE3 LYS 13 OK 78 89 90 97 2.2-5.5 5.2=62, 3.0/1037=22...(21) HB3 LYS 75 + HE3 LYS 75 OK 74 84 90 99 2.1-5.5 5.0=72, 3093/2.9=19...(23) HB2 LYS 32 + HE3 LYS 32 OK 63 67 95 100 2.6-5.1 4.6=92, ~1628=27...(43) HB3 LYS 73 + HE2 LYS 73 OK 63 67 95 99 2.2-4.9 4.7=86, ~3020=33...(24) HB2 LYS 32 + HE2 LYS 32 OK 61 64 95 100 2.0-4.8 4.6=92, ~1639=26...(43) HB3 LYS 73 + HE3 LYS 73 OK 61 64 95 99 2.1-4.9 4.7=86, ~3020=33...(24) HB3 LYS 32 + HE3 LYS 32 OK 53 67 80 100 2.3-5.1 4.6=92, ~1628=27...(43) HB3 LYS 32 + HE2 LYS 32 OK 51 64 80 100 3.3-5.1 4.6=92, ~1639=26...(43) HB3 LYS 32 - HE2 LYS 13 far 9 88 10 - 4.0-23.8 HB3 LYS 32 - HE3 LYS 13 far 4 87 5 - 3.4-25.3 HB2 LYS 32 - HE3 LYS 13 far 0 87 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 50 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 81 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 68 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 89 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 47 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 76 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 88 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 100 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 82 0 - 7.0-26.7 HG2 PRO 34 - HE3 LYS 39 far 0 76 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 91 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 66 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 67 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 93 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 64 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 100 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 64 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 61 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 92 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 70 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 99 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 46 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 59 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 86 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 84 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 65 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 99 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 68 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 93 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 65 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 93 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 44 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 47 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 56 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 79 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 91 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (1.55, 2.98, 41.78 ppm; 3.74 A increased from 3.52 A): 2 out of 11 assignments used, quality = 0.97: HG2 LYS 39 + HE2 LYS 39 OK 85 100 85 100 2.3-4.1 3.6=100 * HG2 LYS 39 + HE3 LYS 39 OK 80 100 80 100 2.0-4.2 3.6=100 HB3 ARG 54 - HE3 LYS 39 far 0 100 0 - 6.8-11.0 HG3 ARG 54 - HE3 LYS 39 far 0 63 0 - 6.8-12.2 HB3 ARG 54 - HE2 LYS 39 far 0 100 0 - 6.8-10.9 HG3 ARG 23 - HE3 LYS 75 far 0 82 0 - 8.0-18.3 HG3 ARG 54 - HE2 LYS 39 far 0 63 0 - 8.0-12.5 HG3 ARG 23 - HE2 LYS 75 far 0 84 0 - 8.2-18.0 HG2 LYS 39 - HE2 LYS 13 far 0 93 0 - 8.4-34.4 HB3 LEU 86 - HE2 LYS 73 far 0 57 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 55 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (1.40, 2.98, 41.78 ppm; 3.67 A increased from 3.09 A): 10 out of 41 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 85 100 85 100 2.0-4.0 3.6=100 HG3 LYS 75 + HE2 LYS 75 OK 71 75 95 100 2.0-4.2 3.5=100 HG2 LYS 75 + HE2 LYS 75 OK 71 75 95 100 2.1-4.2 3.5=100 HG2 LYS 13 + HE2 LYS 13 OK 69 74 95 99 2.2-4.1 3.8=89, 1.8/1037=20...(46) HG2 LYS 13 + HE3 LYS 13 OK 65 72 90 99 2.2-4.2 3.8=89, 1.8/1037=21...(50) HG2 LYS 75 + HE3 LYS 75 OK 62 73 85 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE3 LYS 75 OK 58 73 80 100 2.3-4.2 3.5=100 HG3 LYS 73 + HE2 LYS 73 OK 54 54 100 100 2.3-3.9 3.7=98, 2999/6.1=18...(47) HG3 LYS 73 + HE3 LYS 73 OK 44 52 85 100 2.0-4.2 3.7=98, 2999/6.1=18...(47) QB ALA 77 - HE3 LYS 73 far 3 32 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 36 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 34 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 34 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 70 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 71 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 63 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 61 0 - 5.2-11.2 HG2 LYS 13 - HE2 LYS 32 far 0 51 0 - 6.2-29.6 QB ALA 77 - HE2 LYS 75 far 0 46 0 - 6.5-9.3 HG3 LYS 39 - HE2 LYS 13 far 0 93 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 49 0 - 7.2-20.2 HG2 LYS 13 - HE3 LYS 32 far 0 53 0 - 7.4-30.3 QB ALA 77 - HE3 LYS 75 far 0 45 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 54 0 - 7.8-12.0 HG3 LYS 75 - HE3 LYS 73 far 0 55 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 50 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 71 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 55 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 52 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 57 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 91 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 57 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 65 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 70 0 - 9.1-13.0 HG2 LYS 13 - HE2 LYS 39 far 0 85 0 - 9.1-35.2 QB ALA 20 - HE3 LYS 39 far 0 65 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 97 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 96 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 97 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 12 out of 36 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 37 37 100 100 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 37 37 100 100 2.4-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 37 37 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE3 LYS 32 OK 35 35 100 100 2.4-3.0 3.0=100 HD3 LYS 32 + HE2 LYS 32 OK 34 34 100 100 2.3-3.0 3.0=100 HD3 LYS 32 - HE2 LYS 13 far 0 50 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 32 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 34 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 90 0 - 5.0-10.0 HB3 LEU 29 - HE3 LYS 13 far 0 91 0 - 5.1-24.7 HB3 LEU 29 - HE2 LYS 13 far 0 92 0 - 5.5-23.5 HD3 LYS 32 - HE3 LYS 13 far 0 49 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 54 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 55 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 90 0 - 6.0-9.1 HB3 LEU 29 - HE3 LYS 32 far 0 70 0 - 6.7-10.7 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 6.8-12.2 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.0-12.5 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 8.1-10.8 HD3 LYS 73 - HE2 LYS 75 far 0 50 0 - 8.7-14.0 HD2 LYS 73 - HE2 LYS 75 far 0 50 0 - 9.2-13.9 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 49 0 - 9.2-14.1 HG3 ARG 70 - HE2 LYS 75 far 0 46 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 92 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 93 0 - 9.5-33.1 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 9.8-33.3 HB3 LEU 86 - HE2 LYS 73 far 0 50 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 47 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1919 from cnoeabs.peaks (1.58, 2.98, 41.78 ppm; 3.18 A): 10 out of 29 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 32 + HE3 LYS 32 OK 37 37 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 36 36 100 100 2.2-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 36 36 100 100 2.4-3.0 3.0=100 HD2 LYS 32 + HE2 LYS 32 OK 36 36 100 100 2.4-3.0 3.0=100 HD2 LYS 73 + HE3 LYS 73 OK 34 34 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE3 LYS 73 OK 34 34 100 100 2.4-3.0 3.0=100 HB3 LEU 51 - HE3 LYS 39 far 0 89 0 - 5.0-10.0 HB3 LEU 29 - HE3 LYS 13 far 0 91 0 - 5.1-24.7 HB3 LEU 29 - HE2 LYS 13 far 0 92 0 - 5.5-23.5 HD2 LYS 32 - HE3 LYS 13 far 0 52 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 53 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 88 0 - 6.0-9.1 HB3 LEU 29 - HE3 LYS 32 far 0 71 0 - 6.7-10.7 HG3 ARG 54 - HE3 LYS 39 far 0 99 0 - 6.8-12.2 HG3 ARG 54 - HE2 LYS 39 far 0 99 0 - 8.0-12.5 HB3 LEU 29 - HE2 LYS 32 far 0 68 0 - 8.1-10.8 HD3 LYS 73 - HE2 LYS 75 far 0 48 0 - 8.7-14.0 HD2 LYS 73 - HE2 LYS 75 far 0 48 0 - 9.2-13.9 HD3 LYS 39 - HE3 LYS 13 far 0 91 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 47 0 - 9.2-14.1 HD3 LYS 39 - HE2 LYS 13 far 0 93 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 92 0 - 9.5-33.1 HD2 LYS 39 - HE3 LYS 13 far 0 91 0 - 9.8-33.3 HB3 LEU 86 - HE2 LYS 73 far 0 51 0 - 9.8-29.2 HB3 LEU 86 - HE3 LYS 73 far 0 49 0 - 9.9-30.0 Violated in 0 structures by 0.00 A. Peak 1920 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 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): 10 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 100 100 100 100 2.8-2.9 3.0=100 H ASP 47 - HA ILE 40 far 0 71 0 - 8.9-9.1 HE ARG 54 - HA ILE 40 far 0 78 0 - 9.9-12.5 H ALA 53 - HA ILE 40 far 0 76 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. 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; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 40 + HA ILE 40 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 36 - HA ILE 40 far 0 100 0 - 7.5-8.1 HG3 PRO 36 - HA ILE 40 far 0 63 0 - 8.3-8.9 HG3 PRO 44 - HA ILE 40 far 0 89 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (0.93, 3.63, 64.52 ppm; 3.46 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HA ILE 40 OK 100 100 100 100 2.3-2.3 3.2=100 QG2 VAL 41 - HA ILE 40 far 0 100 0 - 4.5-4.7 QD2 LEU 43 - HA ILE 40 far 0 92 0 - 5.4-5.7 HG12 ILE 68 - HA ILE 40 far 0 98 0 - 7.9-9.1 QG2 VAL 76 - HA ILE 40 far 0 98 0 - 8.4-13.5 QD2 LEU 62 - HA ILE 40 far 0 100 0 - 8.8-10.2 QG1 VAL 76 - HA ILE 40 far 0 98 0 - 8.8-12.6 QD1 LEU 64 - HA ILE 40 far 0 71 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 1926 from cnoeabs.peaks (1.90, 3.63, 64.52 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 40 + HA ILE 40 OK 100 100 100 100 2.8-3.0 4.0=94, 1.8/1927=79...(21) HB ILE 68 - HA ILE 40 far 0 99 0 - 5.5-6.4 HB VAL 41 - HA ILE 40 far 0 71 0 - 6.0-6.1 HG13 ILE 68 - HA ILE 40 far 0 85 0 - 8.0-8.8 HB2 ARG 66 - HA ILE 40 far 0 60 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (1.23, 3.63, 64.52 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HA ILE 40 OK 100 100 100 100 2.6-2.7 4.0=84, 1.8/1926=71...(21) QG1 VAL 65 - HA ILE 40 poor 20 100 20 - 4.0-4.4 HG2 ARG 69 - HA ILE 40 far 0 98 0 - 5.3-7.3 QG2 VAL 65 - HA ILE 40 far 0 85 0 - 6.3-6.6 HG13 ILE 33 - HA ILE 40 far 0 96 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 1928 from cnoeabs.peaks (1.03, 3.63, 64.52 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HA ILE 40 OK 100 100 100 100 3.9-3.9 4.1=100 HG3 PRO 34 - HA ILE 40 far 0 95 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1929 from cnoeabs.peaks (7.24, 2.12, 38.15 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HB ILE 40 OK 100 100 100 100 2.5-2.6 603=100, 605/2.9=70...(15) Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (3.63, 2.12, 38.15 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + HB ILE 40 OK 100 100 100 100 3.0-3.0 3.0=100 HA ARG 69 + HB ILE 40 OK 94 100 95 99 3.6-4.5 4769/2.1=45...(15) HA VAL 65 - HB ILE 40 far 0 100 0 - 4.9-5.6 Violated in 0 structures by 0.00 A. 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): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HB ILE 40 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 41 + HB ILE 40 OK 88 100 100 88 2.8-3.0 140/139=49, 4330/603=30...(9) HG12 ILE 68 - HB ILE 40 far 0 98 0 - 5.0-6.4 QG2 VAL 76 - HB ILE 40 far 0 98 0 - 7.4-12.3 QG1 VAL 76 - HB ILE 40 far 0 98 0 - 7.5-10.9 QD1 LEU 64 - HB ILE 40 far 0 71 0 - 7.5-8.5 QD2 LEU 43 - HB ILE 40 far 0 92 0 - 7.7-7.8 QD2 LEU 62 - HB ILE 40 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (1.90, 2.12, 38.15 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 40 + HB ILE 40 OK 100 100 100 100 2.5-2.6 2.9=100 HB ILE 68 + HB ILE 40 OK 97 99 100 99 3.2-4.0 2.1/4753=52, ~4298=48...(14) HB VAL 41 - HB ILE 40 far 0 71 0 - 4.7-5.1 HG13 ILE 68 - HB ILE 40 far 0 85 0 - 5.5-6.5 HB2 ARG 66 - HB ILE 40 far 0 60 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (1.23, 2.12, 38.15 ppm; 4.06 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HB ILE 40 OK 100 100 100 100 3.0-3.0 2.9=100 QG1 VAL 65 + HB ILE 40 OK 80 100 80 100 4.0-4.5 5034/2.1=84, 5035/3.2=40...(18) HG2 ARG 69 - HB ILE 40 far 0 98 0 - 5.3-7.1 QG2 VAL 65 - HB ILE 40 far 0 85 0 - 5.9-6.4 HG13 ILE 33 - HB ILE 40 far 0 96 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (1.03, 2.12, 38.15 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 40 + HB ILE 40 OK 100 100 100 100 2.2-2.3 3.2=100 Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (7.24, 0.93, 18.83 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 40 + QG2 ILE 40 OK 100 100 100 100 3.8-3.8 4.0=96, 603/2.1=84...(14) H ASP 47 - QG2 ILE 40 far 0 71 0 - 8.6-8.9 H ALA 53 - QG2 ILE 40 far 0 76 0 - 8.7-9.1 HE ARG 54 - QG2 ILE 40 far 0 78 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1937 from cnoeabs.peaks (3.63, 0.93, 18.83 ppm; 3.12 A): 3 out of 3 assignments used, quality = 1.00: * HA ILE 40 + QG2 ILE 40 OK 100 100 100 100 2.3-2.3 3.2=93, 3.0/1936=36...(20) HA ARG 69 + QG2 ILE 40 OK 97 100 100 97 2.1-2.9 2.9/292=43, 3.0/4302=41...(16) HA VAL 65 + QG2 ILE 40 OK 87 100 90 97 2.8-3.5 4705=48, 3.2/5034=40...(18) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 HB2 PRO 36 - QG2 ILE 40 far 0 100 0 - 7.6-8.0 HG3 PRO 36 - QG2 ILE 40 far 0 63 0 - 8.7-9.1 HG3 PRO 44 - QG2 ILE 40 far 0 89 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 40 + QG2 ILE 40 OK 100 100 100 100 3.2-3.2 3.2=100 HB ILE 68 + QG2 ILE 40 OK 98 99 100 100 2.3-3.1 2.1/4298=70, 290/292=44...(20) HG13 ILE 68 - QG2 ILE 40 far 0 85 0 - 4.5-5.1 HB VAL 41 - QG2 ILE 40 far 0 71 0 - 5.0-5.4 HB2 ARG 66 - QG2 ILE 40 far 0 60 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.23, 0.93, 18.83 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + QG2 ILE 40 OK 99 100 100 99 2.2-2.3 3.2=87, 2.1/1942=64...(17) QG1 VAL 65 + QG2 ILE 40 OK 99 100 100 99 1.9-2.4 5034=67, 3.2/4705=32...(23) HG2 ARG 69 - QG2 ILE 40 far 5 98 5 - 3.2-4.6 QG2 VAL 65 - QG2 ILE 40 far 0 85 0 - 4.1-4.5 HG13 ILE 33 - QG2 ILE 40 far 0 96 0 - 6.5-6.8 Violated in 0 structures by 0.00 A. Peak 1942 from cnoeabs.peaks (1.03, 0.93, 18.83 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + QG2 ILE 40 OK 100 100 100 100 2.0-2.3 3.0=94, 5249/4298=37...(23) HG3 PRO 34 - QG2 ILE 40 far 0 95 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (7.24, 1.90, 28.19 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HG12 ILE 40 OK 100 100 100 100 1.9-2.3 605=100, 606/1.8=84...(14) Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (3.63, 1.90, 28.19 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.8-3.0 4.0=100 HA VAL 65 - HG12 ILE 40 far 0 100 0 - 5.1-5.7 HA ARG 69 - HG12 ILE 40 far 0 100 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (2.12, 1.90, 28.19 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.5-2.6 2.9=100 HB2 PRO 36 - HG12 ILE 40 far 0 100 0 - 5.5-6.2 HG3 PRO 36 - HG12 ILE 40 far 0 63 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (0.93, 1.90, 28.19 ppm; 3.86 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG12 ILE 40 OK 100 100 100 100 3.2-3.2 3.2=100 QG2 VAL 41 - HG12 ILE 40 far 0 100 0 - 4.8-5.0 HG12 ILE 68 - HG12 ILE 40 far 0 98 0 - 6.3-7.4 QD2 LEU 43 - HG12 ILE 40 far 0 92 0 - 7.1-7.3 QD1 LEU 64 - HG12 ILE 40 far 0 71 0 - 8.0-8.8 QD2 LEU 62 - HG12 ILE 40 far 0 100 0 - 9.1-10.4 QG1 VAL 76 - HG12 ILE 40 far 0 98 0 - 9.1-12.7 QG2 VAL 76 - HG12 ILE 40 far 0 98 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 40 + HG12 ILE 40 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 65 - HG12 ILE 40 far 5 100 5 - 3.5-4.1 QG2 VAL 65 - HG12 ILE 40 far 0 85 0 - 5.1-5.6 HG13 ILE 33 - HG12 ILE 40 far 0 96 0 - 6.2-6.4 HG2 ARG 69 - HG12 ILE 40 far 0 98 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 1949 from cnoeabs.peaks (1.03, 1.90, 28.19 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HG12 ILE 40 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 34 - HG12 ILE 40 far 0 95 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 1950 from cnoeabs.peaks (7.24, 1.23, 28.19 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 40 + HG13 ILE 40 OK 100 100 100 100 3.3-3.7 606=100, 605/1.8=98...(15) H ALA 53 - HG13 ILE 40 far 0 76 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (3.63, 1.23, 28.19 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.6-2.7 4.0=100 HA VAL 65 + HG13 ILE 40 OK 99 100 100 99 4.0-4.6 5033/2.1=78, 4705/3.2=65...(16) HA ARG 69 - HG13 ILE 40 far 0 100 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (2.12, 1.23, 28.19 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + HG13 ILE 40 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 PRO 36 - HG13 ILE 40 far 0 100 0 - 7.2-7.9 HG3 PRO 36 - HG13 ILE 40 far 0 63 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (0.93, 1.23, 28.19 ppm; 4.14 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.2-2.3 3.2=100 QG2 VAL 41 - HG13 ILE 40 far 0 100 0 - 5.4-5.5 HG12 ILE 68 - HG13 ILE 40 far 0 98 0 - 6.4-7.6 QD2 LEU 43 - HG13 ILE 40 far 0 92 0 - 7.2-7.5 QD2 LEU 62 - HG13 ILE 40 far 0 100 0 - 7.6-9.0 QD1 LEU 64 - HG13 ILE 40 far 0 71 0 - 7.8-8.5 QG2 VAL 76 - HG13 ILE 40 far 0 98 0 - 9.7-14.7 QG1 VAL 76 - HG13 ILE 40 far 0 98 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (1.90, 1.23, 28.19 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 40 + HG13 ILE 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 68 - HG13 ILE 40 far 0 99 0 - 4.4-5.0 HG13 ILE 68 - HG13 ILE 40 far 0 85 0 - 6.5-7.1 HB VAL 41 - HG13 ILE 40 far 0 71 0 - 7.5-7.7 HB2 ARG 66 - HG13 ILE 40 far 0 60 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 40 + HG13 ILE 40 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 PRO 34 - HG13 ILE 40 far 0 95 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (7.24, 1.03, 14.28 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 40 + QD1 ILE 40 OK 100 100 100 100 3.3-3.5 607=100, 605/2.1=94...(14) H ALA 53 - QD1 ILE 40 far 0 76 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (3.63, 1.03, 14.28 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 40 + QD1 ILE 40 OK 100 100 100 100 3.9-3.9 4.1=76, 3.2/1942=68...(20) HA VAL 65 + QD1 ILE 40 OK 100 100 100 100 2.2-2.7 5033=81, 4705/1942=54...(20) HA ARG 69 - QD1 ILE 40 far 0 100 0 - 4.6-5.4 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (2.12, 1.03, 14.28 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 40 + QD1 ILE 40 OK 100 100 100 100 2.2-2.3 3.2=100 HB2 PRO 36 - QD1 ILE 40 far 0 100 0 - 5.7-6.1 HG3 PRO 36 - QD1 ILE 40 far 0 63 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (0.93, 1.03, 14.28 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * QG2 ILE 40 + QD1 ILE 40 OK 100 100 100 100 2.0-2.3 3.0=100 HG12 ILE 68 - QD1 ILE 40 far 5 98 5 - 3.4-4.4 QG2 VAL 41 - QD1 ILE 40 far 0 100 0 - 4.0-4.2 QD1 LEU 64 - QD1 ILE 40 far 0 71 0 - 5.0-5.7 QD2 LEU 62 - QD1 ILE 40 far 0 100 0 - 6.8-8.0 QD2 LEU 43 - QD1 ILE 40 far 0 92 0 - 7.5-7.6 QG1 VAL 76 - QD1 ILE 40 far 0 98 0 - 8.0-10.6 QG2 VAL 76 - QD1 ILE 40 far 0 98 0 - 8.0-12.0 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (1.90, 1.03, 14.28 ppm; 3.36 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 40 + QD1 ILE 40 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 68 + QD1 ILE 40 OK 98 99 100 99 2.3-2.6 2.1/5249=63, 3.2/5247=46...(17) HG13 ILE 68 - QD1 ILE 40 far 0 85 0 - 3.8-4.2 HB VAL 41 - QD1 ILE 40 far 0 71 0 - 6.1-6.4 HB2 ARG 66 - QD1 ILE 40 far 0 60 0 - 7.4-7.9 HB2 GLU 19 - QD1 ILE 40 far 0 100 0 - 9.3-17.7 HB2 ARG 26 - QD1 ILE 40 far 0 71 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 65 + QD1 ILE 40 OK 97 100 100 97 1.9-2.4 5034/1942=40, 5035=39...(22) QG2 VAL 65 + QD1 ILE 40 OK 43 85 55 92 3.0-3.5 3.2/5033=30, 2.1/5035=30...(20) HG13 ILE 33 - QD1 ILE 40 far 0 96 0 - 3.8-3.9 HG2 ARG 69 - QD1 ILE 40 far 0 98 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * H VAL 41 + HA VAL 41 OK 100 100 100 100 2.9-2.9 3.0=100 HD21 ASN 42 - HA VAL 41 far 0 100 0 - 4.6-5.3 HD21 ASN 74 - HA VAL 41 far 0 92 0 - 8.2-12.6 Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 1.00: * HB VAL 41 + HA VAL 41 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 40 - HA VAL 41 far 0 71 0 - 6.4-6.4 HB3 ARG 70 - HA VAL 41 far 0 71 0 - 8.1-9.0 HB2 ARG 70 - HA VAL 41 far 0 71 0 - 8.3-9.2 HG13 ILE 68 - HA VAL 41 far 0 99 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (0.80, 3.58, 65.23 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + HA VAL 41 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 ILE 68 - HA VAL 41 far 0 95 0 - 4.2-5.5 QD1 ILE 68 - HA VAL 41 far 0 92 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 1968 from cnoeabs.peaks (0.94, 3.58, 65.23 ppm; 3.25 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 41 + HA VAL 41 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 ILE 40 - HA VAL 41 far 0 100 0 - 3.6-3.8 QG2 VAL 76 - HA VAL 41 far 0 93 0 - 4.8-10.0 QG1 VAL 76 - HA VAL 41 far 0 93 0 - 5.3-9.4 QD2 LEU 43 - HA VAL 41 far 0 97 0 - 6.9-7.4 HG12 ILE 68 - HA VAL 41 far 0 93 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (7.63, 1.93, 32.20 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + HB VAL 41 OK 100 100 100 100 2.5-2.7 610=100, 140/2.1=72...(8) HD21 ASN 42 + HB VAL 41 OK 97 100 100 98 2.5-3.2 4364/2.1=39, 4906=37...(12) HD21 ASN 74 - HB VAL 41 far 0 92 0 - 8.6-12.6 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (3.58, 1.93, 32.20 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 41 + HB VAL 41 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + HB VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 68 - HB VAL 41 far 0 95 0 - 4.3-5.3 QD1 ILE 68 - HB VAL 41 far 0 92 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (0.94, 1.93, 32.20 ppm; 3.13 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 41 + HB VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 - HB VAL 41 far 0 93 0 - 3.6-7.7 QG2 VAL 76 - HB VAL 41 far 0 93 0 - 3.7-8.6 QG2 ILE 40 - HB VAL 41 far 0 100 0 - 5.0-5.4 QD2 LEU 43 - HB VAL 41 far 0 97 0 - 7.7-7.9 HG12 ILE 68 - HB VAL 41 far 0 93 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 1974 from cnoeabs.peaks (7.63, 0.80, 21.38 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 41 + QG1 VAL 41 OK 100 100 100 100 3.8-3.8 612/2.1=87, 610/2.1=85...(8) HD21 ASN 42 + QG1 VAL 41 OK 100 100 100 100 3.3-3.7 4364=58, 1.7/4367=55...(13) HD21 ASN 74 - QG1 VAL 41 far 0 92 0 - 5.6-8.9 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (3.58, 0.80, 21.38 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 41 + QG1 VAL 41 OK 100 100 100 100 2.2-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (1.93, 0.80, 21.38 ppm; 3.07 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 41 + QG1 VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 ARG 70 - QG1 VAL 41 far 0 71 0 - 6.8-7.7 HB2 ARG 70 - QG1 VAL 41 far 0 71 0 - 6.9-7.7 HG12 ILE 40 - QG1 VAL 41 far 0 71 0 - 7.1-7.2 HG13 ILE 68 - QG1 VAL 41 far 0 99 0 - 7.7-8.8 HB2 GLU 19 - QG1 VAL 41 far 0 83 0 - 9.1-20.4 Violated in 0 structures by 0.00 A. 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; 2.79 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 41 + QG1 VAL 41 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 76 - QG1 VAL 41 far 9 93 10 - 1.8-6.3 QG1 VAL 76 - QG1 VAL 41 lone 5 93 30 17 2.6-5.7 5430/5403=17 QG2 ILE 40 - QG1 VAL 41 far 0 100 0 - 4.7-4.8 QD2 LEU 43 - QG1 VAL 41 far 0 97 0 - 7.0-7.5 HG12 ILE 68 - QG1 VAL 41 far 0 93 0 - 7.2-8.4 QD1 LEU 64 - QG1 VAL 41 far 0 83 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1979 from cnoeabs.peaks (7.63, 0.94, 22.13 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 41 + QG2 VAL 41 OK 100 100 100 100 2.0-2.5 612=100, 610/2.1=69...(11) HD21 ASN 42 - QG2 VAL 41 far 0 100 0 - 4.0-4.7 HD21 ASN 74 - QG2 VAL 41 far 0 92 0 - 5.8-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.5 3.2=100 HD3 PRO 36 - QG2 VAL 41 far 0 96 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 1981 from cnoeabs.peaks (1.93, 0.94, 22.13 ppm; 3.09 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 41 + QG2 VAL 41 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 40 - QG2 VAL 41 far 0 71 0 - 4.8-5.0 HG13 ILE 68 - QG2 VAL 41 far 0 99 0 - 5.4-6.4 HB2 ARG 70 - QG2 VAL 41 far 0 71 0 - 6.2-7.4 HB3 ARG 70 - QG2 VAL 41 far 0 71 0 - 6.3-7.6 HB2 GLU 19 - QG2 VAL 41 far 0 83 0 - 7.9-18.7 HB3 ARG 66 - QG2 VAL 41 far 0 96 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (0.80, 0.94, 22.13 ppm; 2.78 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 41 + QG2 VAL 41 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 68 + QG2 VAL 41 OK 71 95 100 75 2.0-2.9 2760=25, 4751/5130=22...(15) QD1 ILE 68 - QG2 VAL 41 far 0 92 0 - 4.6-5.4 Violated in 0 structures by 0.00 A. 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; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 42 + HA ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ASN 42 + HA ASN 42 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 ASN 80 - HA ASN 42 far 0 100 0 - 8.4-15.7 Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (2.76, 4.68, 53.88 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASN 42 + HA ASN 42 OK 100 100 100 100 2.3-2.6 3.0=100 HB2 ASN 42 + HA ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ASN 80 - HA ASN 42 far 0 100 0 - 8.4-15.7 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (7.62, 4.68, 53.88 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 42 + HA ASN 42 OK 100 100 100 100 2.1-2.6 4.4=86, 5089/3.0=62...(7) H VAL 41 - HA ASN 42 far 0 100 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (7.72, 2.76, 39.67 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: H ASN 42 + HB3 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 615/1.8=56...(8) * H ASN 42 + HB2 ASN 42 OK 98 100 100 98 2.2-2.8 4.1=69, 5089/3.5=41...(9) Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (4.68, 2.76, 39.67 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 42 + HB2 ASN 42 OK 100 100 100 100 2.7-3.5 3.5=100 HD21 ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.8-3.5 3.5=100 H VAL 41 - HB2 ASN 42 far 0 100 0 - 4.1-4.9 H VAL 41 - HB3 ASN 42 far 0 100 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 1995 from cnoeabs.peaks (6.94, 2.76, 39.67 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.7-4.1 3.5=100 HD22 ASN 42 + HB3 ASN 42 OK 100 100 100 100 3.7-4.1 3.5=100 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (7.72, 2.76, 39.67 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 42 + HB3 ASN 42 OK 98 100 100 98 3.5-3.6 4.1=69, 615/1.8=56...(8) H ASN 42 + HB2 ASN 42 OK 98 100 100 98 2.2-2.8 4.1=69, 5089/3.5=41...(9) Violated in 0 structures by 0.00 A. Peak 1997 from cnoeabs.peaks (4.68, 2.76, 39.67 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.3-2.6 3.0=100 HA ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HD21 ASN 42 + HB3 ASN 42 OK 100 100 100 100 2.8-3.5 3.5=100 HD21 ASN 42 + HB2 ASN 42 OK 100 100 100 100 2.7-3.5 3.5=100 H VAL 41 - HB2 ASN 42 far 0 100 0 - 4.1-4.9 H VAL 41 - HB3 ASN 42 far 0 100 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (6.94, 2.76, 39.67 ppm; 4.20 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 42 + HB3 ASN 42 OK 100 100 100 100 3.7-4.1 3.5=100 HD22 ASN 42 + HB2 ASN 42 OK 100 100 100 100 3.7-4.1 3.5=100 QE PHE 35 - HB2 ASN 42 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (7.52, 4.53, 53.96 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 51 - HA LEU 43 far 0 97 0 - 7.9-8.7 H LEU 43 - HA LYS 13 far 0 92 0 - 9.4-38.3 HD21 ASN 80 - HA LEU 43 far 0 71 0 - 9.5-16.3 Violated in 0 structures by 0.00 A. 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; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 17 - HA LYS 13 far 0 73 0 - 7.0-15.8 HB2 LEU 29 - HA LYS 13 far 0 89 0 - 9.2-25.5 Violated in 0 structures by 0.00 A. Peak 2005 from cnoeabs.peaks (1.44, 4.53, 53.96 ppm; 3.63 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.5-2.6 3.0=100 HG2 LYS 13 + HA LYS 13 OK 79 82 100 97 2.2-3.8 3.9=81, 470/3.0=41...(13) HG3 LYS 13 + HA LYS 13 OK 67 73 95 96 2.2-4.2 3.9=81, 471/3.0=35...(13) QB ALA 30 - HA LYS 13 far 0 89 0 - 8.2-22.8 HG2 LYS 13 - HA LEU 43 far 0 93 0 - 8.2-40.1 HG3 LYS 13 - HA LEU 43 far 0 85 0 - 8.4-39.8 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (1.99, 4.53, 53.96 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.9-3.1 2.1/2038=89, 4.3=84...(10) HG2 PRO 14 + HA LYS 13 OK 36 91 40 99 4.1-4.6 2.3/4801=85, 2.3/4802=83...(6) HG3 PRO 14 - HA LYS 13 far 0 91 0 - 4.5-4.6 HB3 MET 11 - HA LYS 13 far 0 75 0 - 5.6-8.6 HG LEU 43 - HA LYS 13 far 0 92 0 - 8.6-37.0 HG2 PRO 14 - HA LEU 43 far 0 100 0 - 9.6-39.9 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (0.83, 4.53, 53.96 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 100 100 3.8-3.8 4.1=100 QG2 ILE 68 - HA LEU 43 far 0 81 0 - 8.7-9.8 QD1 LEU 43 - HA LYS 13 far 0 92 0 - 8.9-30.2 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (0.94, 4.53, 53.96 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 43 + HA LEU 43 OK 100 100 100 100 2.0-2.1 2038=100, 4388/4374=42...(15) QD2 LEU 43 - HA LYS 13 far 0 92 0 - 6.5-32.5 QG2 ILE 40 - HA LEU 43 far 0 92 0 - 6.8-7.2 QG2 VAL 41 - HA LEU 43 far 0 97 0 - 7.3-7.8 QG1 VAL 76 - HA LEU 43 far 0 73 0 - 7.8-13.0 QG2 VAL 76 - HA LEU 43 far 0 73 0 - 8.2-13.0 Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (7.52, 1.72, 42.41 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.3-2.5 621=100, 622/1.8=82...(10) H LEU 51 - HB2 LEU 43 far 0 97 0 - 6.0-7.0 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (4.53, 1.72, 42.41 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2013 from cnoeabs.peaks (1.99, 1.72, 42.41 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2014 from cnoeabs.peaks (0.83, 1.72, 42.41 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.2-2.4 3.1=100 QG2 ILE 68 - HB2 LEU 43 far 0 81 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (0.94, 1.72, 42.41 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.2-3.2 3.1=100 QG2 ILE 40 - HB2 LEU 43 far 0 92 0 - 4.4-4.9 QG2 VAL 41 - HB2 LEU 43 far 0 97 0 - 5.9-6.6 QG2 VAL 76 - HB2 LEU 43 far 0 73 0 - 8.3-13.4 QG1 VAL 76 - HB2 LEU 43 far 0 73 0 - 8.4-13.0 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (7.52, 1.44, 42.41 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.5-3.6 3.9=100 H LEU 51 - HB3 LEU 43 far 0 97 0 - 5.4-6.2 H ARG 54 - HB3 LEU 43 far 0 97 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (4.53, 1.44, 42.41 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.5-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (1.72, 1.44, 42.41 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (0.83, 1.44, 42.41 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.3-2.5 3.1=100 QG2 ILE 68 - HB3 LEU 43 far 0 81 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (0.94, 1.44, 42.41 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.3-2.4 3.1=100 QG2 ILE 40 - HB3 LEU 43 far 0 92 0 - 5.5-6.2 QG2 VAL 41 - HB3 LEU 43 far 0 97 0 - 7.3-7.9 QG1 VAL 76 - HB3 LEU 43 far 0 73 0 - 9.0-14.1 QG2 VAL 76 - HB3 LEU 43 far 0 73 0 - 9.2-14.3 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (7.52, 1.99, 26.77 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.3-3.2 623=100, 621/3.0=74...(10) H LEU 51 - HG LEU 43 far 0 97 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 2024 from cnoeabs.peaks (4.53, 1.99, 26.77 ppm; 4.64 A): 3 out of 5 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 100 100 2.9-3.1 4.3=100 HA LYS 13 + HG2 PRO 14 OK 60 60 100 100 4.1-4.6 4817/2.3=97, 4816/2.3=96...(5) HA LYS 13 + HG3 PRO 14 OK 60 60 100 100 4.5-4.6 4817/2.3=97, 4816/2.3=96...(5) HA LYS 13 - HG LEU 43 far 0 99 0 - 8.6-37.0 HA LEU 43 - HG2 PRO 14 far 0 63 0 - 9.6-39.9 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (1.72, 1.99, 26.77 ppm; 4.12 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 ARG 17 - HG2 PRO 14 far 2 47 5 - 3.2-13.8 HB3 ARG 17 - HG3 PRO 14 far 2 47 5 - 4.3-15.1 HB2 LEU 29 - HG2 PRO 14 far 0 60 0 - 6.0-25.5 HB2 LEU 29 - HG3 PRO 14 far 0 60 0 - 6.3-27.2 HB3 LYS 83 - HG3 PRO 14 far 0 60 0 - 8.4-59.4 HG3 ARG 26 - HG3 PRO 14 far 0 39 0 - 9.0-27.0 HB3 LYS 83 - HG2 PRO 14 far 0 60 0 - 9.4-57.9 HG3 ARG 26 - HG2 PRO 14 far 0 39 0 - 9.5-25.6 Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (1.44, 1.99, 26.77 ppm; 4.22 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 13 - HG2 PRO 14 far 3 54 5 - 4.3-7.3 HG2 LYS 13 - HG3 PRO 14 far 3 54 5 - 4.5-7.4 HG3 LYS 13 - HG2 PRO 14 far 0 47 0 - 4.8-8.0 HG3 LYS 13 - HG3 PRO 14 far 0 47 0 - 4.9-8.4 QB ALA 30 - HG3 PRO 14 far 0 60 0 - 5.2-24.0 QB ALA 30 - HG2 PRO 14 far 0 60 0 - 6.2-22.7 HG3 LYS 13 - HG LEU 43 far 0 85 0 - 8.6-37.1 HG2 LYS 13 - HG LEU 43 far 0 93 0 - 9.1-37.2 HG12 ILE 33 - HG2 PRO 14 far 0 60 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. 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): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 29 - HG2 PRO 14 far 0 52 0 - 6.9-19.2 QD2 LEU 29 - HG3 PRO 14 far 0 52 0 - 7.1-20.6 QD2 LEU 86 - HG3 PRO 14 far 0 62 0 - 7.8-57.7 QG2 ILE 68 - HG LEU 43 far 0 81 0 - 7.8-8.8 QD2 LEU 86 - HG2 PRO 14 far 0 62 0 - 8.2-56.4 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (0.94, 1.99, 26.77 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 40 - HG LEU 43 far 0 92 0 - 6.0-6.2 QG2 VAL 41 - HG LEU 43 far 0 97 0 - 6.9-7.2 QD2 LEU 43 - HG2 PRO 14 far 0 63 0 - 8.8-32.9 QG2 VAL 76 - HG LEU 43 far 0 73 0 - 9.0-13.9 QG1 VAL 76 - HG LEU 43 far 0 73 0 - 9.1-13.5 QD2 LEU 43 - HG3 PRO 14 far 0 63 0 - 9.4-33.9 Violated in 0 structures by 0.00 A. Peak 2030 from cnoeabs.peaks (7.52, 0.83, 26.57 ppm; 4.10 A increased from 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.7-4.0 624=94, 623/2.1=87...(12) H LEU 51 - QD1 LEU 43 far 10 97 10 - 3.9-4.7 H ARG 54 - QD1 LEU 43 far 0 97 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 2031 from cnoeabs.peaks (4.53, 0.83, 26.57 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.8-3.8 4.1=100 HA LYS 13 - QD1 LEU 43 far 0 99 0 - 8.9-30.2 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (1.72, 0.83, 26.57 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.2-2.4 3.1=100 HG3 ARG 66 - QD1 LEU 43 far 0 60 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 2033 from cnoeabs.peaks (1.44, 0.83, 26.57 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.3-2.5 3.1=100 HG3 LYS 13 - QD1 LEU 43 far 0 85 0 - 8.2-30.1 HG2 LYS 13 - QD1 LEU 43 far 0 93 0 - 8.7-30.2 Violated in 0 structures by 0.00 A. Peak 2034 from cnoeabs.peaks (1.99, 0.83, 26.57 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 66 - QD1 LEU 43 far 0 78 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. 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): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 40 - QD1 LEU 43 far 0 92 0 - 4.5-5.1 QG2 VAL 41 - QD1 LEU 43 far 0 97 0 - 6.3-6.9 QD2 LEU 62 - QD1 LEU 43 far 0 92 0 - 8.5-9.4 QG2 VAL 76 - QD1 LEU 43 far 0 73 0 - 8.7-13.0 QG1 VAL 76 - QD1 LEU 43 far 0 73 0 - 8.9-12.5 HG12 ILE 68 - QD1 LEU 43 far 0 73 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 2037 from cnoeabs.peaks (7.52, 0.94, 22.80 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.2-3.9 625=95, 623/2.1=86...(11) H LEU 51 - QD2 LEU 43 far 0 97 0 - 5.8-6.3 H ARG 54 - QD2 LEU 43 far 0 97 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (4.53, 0.94, 22.80 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.0-2.1 2008=93, 4374/4388=40...(14) HA LYS 13 - QD2 LEU 43 far 0 99 0 - 6.5-32.5 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (1.72, 0.94, 22.80 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2040 from cnoeabs.peaks (1.44, 0.94, 22.80 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.3-2.4 3.1=100 HG3 LYS 13 - QD2 LEU 43 far 0 85 0 - 6.1-32.4 HG2 LYS 13 - QD2 LEU 43 far 0 93 0 - 6.3-32.2 Violated in 0 structures by 0.00 A. Peak 2041 from cnoeabs.peaks (1.99, 0.94, 22.80 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 PRO 14 - QD2 LEU 43 far 0 100 0 - 8.8-32.9 HG3 PRO 14 - QD2 LEU 43 far 0 100 0 - 9.4-33.9 Violated in 0 structures by 0.00 A. Peak 2042 from cnoeabs.peaks (0.83, 0.94, 22.80 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 68 - QD2 LEU 43 far 0 81 0 - 8.1-8.9 QG2 ILE 89 - QD2 LEU 43 far 0 96 0 - 9.2-32.3 QD1 ILE 89 - QD2 LEU 43 far 0 85 0 - 9.8-33.9 QD2 LEU 86 - QD2 LEU 43 far 0 100 0 - 10.0-27.4 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HD2 PRO 44 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2046 from cnoeabs.peaks (2.09, 4.04, 50.94 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HD2 PRO 44 OK 100 100 100 100 3.9-3.9 3.0=100 HB VAL 45 - HD2 PRO 44 far 0 71 0 - 7.8-7.8 Violated in 0 structures by 0.00 A. Peak 2047 from cnoeabs.peaks (2.05, 4.04, 50.94 ppm; 3.91 A): 1 out of 6 assignments used, quality = 1.00: * HG2 PRO 44 + HD2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 HB VAL 45 - HD2 PRO 44 far 0 87 0 - 7.8-7.8 HD2 ARG 69 - HD2 PRO 44 far 0 89 0 - 7.9-11.5 HB3 GLN 91 - HD2 PRO 44 far 0 99 0 - 8.0-49.6 HD3 ARG 69 - HD2 PRO 44 far 0 89 0 - 8.7-11.2 HB2 GLU 50 - HD2 PRO 44 far 0 99 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (2.14, 4.04, 50.94 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 44 + HD2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. 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; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HD2 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 45 - HD2 PRO 44 far 0 76 0 - 7.0-7.0 Violated in 0 structures by 0.00 A. Peak 2052 from cnoeabs.peaks (2.48, 3.67, 50.94 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HD3 PRO 44 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2053 from cnoeabs.peaks (2.09, 3.67, 50.94 ppm; 4.24 A increased from 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HD3 PRO 44 OK 100 100 100 100 4.0-4.0 3.0=100 HB VAL 45 - HD3 PRO 44 far 0 71 0 - 7.7-7.7 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (2.05, 3.67, 50.94 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HG2 PRO 44 + HD3 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 GLU 50 - HD3 PRO 44 far 0 99 0 - 7.2-8.4 HD2 ARG 69 - HD3 PRO 44 far 0 89 0 - 7.3-11.0 HB VAL 45 - HD3 PRO 44 far 0 87 0 - 7.7-7.7 HB3 GLN 91 - HD3 PRO 44 far 0 99 0 - 8.0-50.4 HD3 ARG 69 - HD3 PRO 44 far 0 89 0 - 8.3-10.9 HB3 GLU 50 - HD3 PRO 44 far 0 99 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 2055 from cnoeabs.peaks (2.14, 3.67, 50.94 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 44 + HD3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HB ILE 40 - HD3 PRO 44 far 0 89 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (4.04, 3.67, 50.94 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 44 + HD3 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 HA PHE 48 - HD3 PRO 44 far 0 98 0 - 5.3-5.5 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 PRO 44 + HA PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (2.09, 4.57, 62.40 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HA PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 45 - HA PRO 44 far 0 71 0 - 4.5-4.5 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (2.05, 4.57, 62.40 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * HG2 PRO 44 + HA PRO 44 OK 100 100 100 100 3.9-3.9 3.8=100 HB VAL 45 - HA PRO 44 far 0 87 0 - 4.5-4.5 HD2 ARG 69 - HA PRO 44 far 0 89 0 - 5.6-8.8 HD3 ARG 69 - HA PRO 44 far 0 89 0 - 5.8-8.4 HB VAL 76 - HA PRO 44 far 0 100 0 - 7.9-13.6 HB2 GLU 50 - HA PRO 44 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (2.14, 4.57, 62.40 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 44 + HA PRO 44 OK 100 100 100 100 4.0-4.0 3.8=100 HB ILE 40 - HA PRO 44 far 0 89 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (4.57, 2.48, 32.30 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HA PRO 44 + HB2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HA LYS 13 - HB3 PRO 36 far 0 30 0 - 7.0-29.2 HA LYS 13 - HB2 PRO 44 far 0 65 0 - 9.8-44.2 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (2.48, 2.48, 32.30 ppm; diagonal): 2 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): 3 out of 4 assignments used, quality = 1.00: * HB3 PRO 44 + HB2 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 36 + HB3 PRO 36 OK 56 56 100 100 3.0-3.0 2.3=100 HG3 PRO 36 + HB3 PRO 36 OK 55 55 100 100 2.3-2.3 2.3=100 HB VAL 45 - HB2 PRO 44 far 0 71 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (2.05, 2.48, 32.30 ppm; 3.17 A): 1 out of 11 assignments used, quality = 1.00: * HG2 PRO 44 + HB2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 19 - HB3 PRO 36 far 0 53 0 - 5.2-16.8 HB VAL 45 - HB2 PRO 44 far 0 87 0 - 5.6-5.8 HB3 GLU 25 - HB3 PRO 36 far 0 54 0 - 6.3-10.6 HB2 GLU 25 - HB3 PRO 36 far 0 55 0 - 7.2-11.4 HD2 ARG 69 - HB2 PRO 44 far 0 89 0 - 7.8-11.1 HD3 ARG 69 - HB2 PRO 44 far 0 89 0 - 8.1-10.7 HB3 GLN 91 - HB2 PRO 44 far 0 99 0 - 8.6-48.0 HB VAL 76 - HB2 PRO 44 far 0 100 0 - 9.4-15.2 HB2 GLU 87 - HB2 PRO 44 far 0 90 0 - 9.5-38.4 HB2 GLU 50 - HB2 PRO 44 far 0 99 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (2.14, 2.48, 32.30 ppm; 3.09 A): 2 out of 3 assignments used, quality = 1.00: * HG3 PRO 44 + HB2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 36 + HB3 PRO 36 OK 46 46 100 100 1.8-1.8 1.8=100 HB ILE 40 - HB3 PRO 36 far 0 44 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 2070 from cnoeabs.peaks (4.04, 2.48, 32.30 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * HD2 PRO 44 + HB2 PRO 44 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 48 - HB2 PRO 44 far 0 98 0 - 8.0-8.1 HB2 SER 22 - HB3 PRO 36 far 0 30 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 2071 from cnoeabs.peaks (3.67, 2.48, 32.30 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HB2 PRO 44 OK 100 100 100 100 3.9-3.9 3.0=100 HA VAL 45 - HB2 PRO 44 far 0 76 0 - 5.7-5.8 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (4.57, 2.09, 32.30 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 44 + HB3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2073 from cnoeabs.peaks (2.48, 2.09, 32.30 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HB3 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2074 from cnoeabs.peaks (2.09, 2.09, 32.30 ppm; diagonal): 2 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; 2.69 A): 1 out of 8 assignments used, quality = 1.00: * HG2 PRO 44 + HB3 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 45 - HB3 PRO 44 far 0 87 0 - 4.6-4.8 HD2 ARG 69 - HB3 PRO 44 far 0 89 0 - 7.3-10.6 HD3 ARG 69 - HB3 PRO 44 far 0 89 0 - 7.6-10.4 HB2 GLU 50 - HB3 PRO 44 far 0 99 0 - 8.3-8.9 HB3 GLN 91 - HB3 PRO 44 far 0 99 0 - 8.5-49.2 HB2 GLU 87 - HB3 PRO 44 far 0 90 0 - 9.6-39.2 HB3 GLU 50 - HB3 PRO 44 far 0 99 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (2.14, 2.09, 32.30 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 44 + HB3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 GLN 61 - HB3 MET 31 poor 10 32 100 32 2.0-2.5 3.5/5910=14, 3.5/5911=9...(4) Violated in 0 structures by 0.00 A. Peak 2077 from cnoeabs.peaks (4.04, 2.09, 32.30 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 44 + HB3 PRO 44 OK 100 100 100 100 3.9-3.9 3.0=100 HA PHE 48 - HB3 PRO 44 far 0 98 0 - 7.1-7.3 HA ALA 63 - HB3 MET 31 far 0 28 0 - 8.8-9.5 HA GLU 59 - HB3 MET 31 far 0 45 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (3.67, 2.09, 32.30 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HB3 PRO 44 OK 100 100 100 100 4.0-4.0 3.0=100 HA VAL 45 - HB3 PRO 44 far 0 76 0 - 4.6-4.7 Violated in 0 structures by 0.00 A. Peak 2079 from cnoeabs.peaks (4.57, 2.05, 27.95 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.9-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 2080 from cnoeabs.peaks (2.48, 2.05, 27.95 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 2081 from cnoeabs.peaks (2.09, 2.05, 27.95 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HG2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HB VAL 45 - HG2 PRO 44 far 0 71 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. 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): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 44 + HG2 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2084 from cnoeabs.peaks (4.04, 2.05, 27.95 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 44 + HG2 PRO 44 OK 100 100 100 100 3.0-3.0 2.3=100 HA PHE 48 - HG2 PRO 44 far 0 98 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (3.67, 2.05, 27.95 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HG2 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HA VAL 45 - HG2 PRO 44 far 0 76 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (4.57, 2.14, 27.95 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 44 + HG3 PRO 44 OK 100 100 100 100 4.0-4.0 3.8=100 HA LYS 13 - HG3 PRO 44 far 0 65 0 - 9.1-43.4 Violated in 0 structures by 0.00 A. Peak 2087 from cnoeabs.peaks (2.48, 2.14, 27.95 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 44 + HG3 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 2088 from cnoeabs.peaks (2.09, 2.14, 27.95 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 44 + HG3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HB VAL 45 - HG3 PRO 44 far 0 71 0 - 7.2-7.4 Violated in 0 structures by 0.00 A. Peak 2089 from cnoeabs.peaks (2.05, 2.14, 27.95 ppm; 2.92 A): 1 out of 7 assignments used, quality = 1.00: * HG2 PRO 44 + HG3 PRO 44 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 91 - HG3 PRO 44 far 0 99 0 - 6.5-49.9 HB VAL 45 - HG3 PRO 44 far 0 87 0 - 7.2-7.4 HB2 GLU 50 - HG3 PRO 44 far 0 99 0 - 8.2-9.0 HD2 ARG 69 - HG3 PRO 44 far 0 89 0 - 8.8-12.3 HD3 ARG 69 - HG3 PRO 44 far 0 89 0 - 9.4-12.1 HB3 GLU 50 - HG3 PRO 44 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 44 + HG3 PRO 44 OK 100 100 100 100 2.3-2.3 2.3=100 HA PHE 48 - HG3 PRO 44 far 0 98 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 2092 from cnoeabs.peaks (3.67, 2.14, 27.95 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 44 + HG3 PRO 44 OK 100 100 100 100 2.7-2.7 2.3=100 HA VAL 45 - HG3 PRO 44 far 0 76 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (8.62, 3.69, 66.64 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 45 + HA VAL 45 OK 100 100 100 100 2.8-2.8 3.0=100 H ASN 49 + HA VAL 45 OK 62 68 95 96 3.9-4.2 4487=44, 4.3/4407=43...(9) Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 1.00: * HB VAL 45 + HA VAL 45 OK 100 100 100 100 2.6-2.6 3.0=100 HB3 PRO 44 - HA VAL 45 far 0 71 0 - 4.6-4.7 HG2 PRO 44 - HA VAL 45 far 0 87 0 - 5.4-5.6 HB2 GLU 50 - HA VAL 45 far 0 71 0 - 8.2-8.6 HB3 GLU 50 - HA VAL 45 far 0 71 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (0.99, 3.69, 66.64 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 45 + HA VAL 45 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (8.62, 2.06, 31.70 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 45 + HB VAL 45 OK 99 100 100 99 2.3-2.4 3.9=74, 630/2.1=67...(5) H ASN 49 - HB VAL 45 far 0 68 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (3.69, 2.06, 31.70 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 45 + HB VAL 45 OK 100 100 100 100 2.6-2.6 3.0=100 HD3 PRO 44 - HB VAL 45 far 0 76 0 - 7.7-7.7 Violated in 0 structures by 0.00 A. 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; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 45 + HB VAL 45 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (0.99, 2.06, 31.70 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 45 + HB VAL 45 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2103 from cnoeabs.peaks (8.62, 1.07, 22.09 ppm; 3.92 A increased from 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + QG2 VAL 45 OK 100 100 100 100 3.7-3.7 629=100, 630/2.1=78...(7) H ASN 49 - QG2 VAL 45 far 0 68 0 - 4.3-4.5 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (3.69, 1.07, 22.09 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 45 + QG2 VAL 45 OK 100 100 100 100 2.1-2.2 3.2=100 HD3 PRO 44 - QG2 VAL 45 far 0 76 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (2.06, 1.07, 22.09 ppm; 3.05 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 45 + QG2 VAL 45 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 PRO 44 - QG2 VAL 45 far 0 71 0 - 5.3-5.5 HG2 PRO 44 - QG2 VAL 45 far 0 87 0 - 6.4-6.5 HB2 GLU 50 - QG2 VAL 45 far 0 71 0 - 8.0-8.4 HB VAL 76 - QG2 VAL 45 far 0 81 0 - 9.1-13.9 HB3 GLU 50 - QG2 VAL 45 far 0 71 0 - 9.3-9.5 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 45 + QG2 VAL 45 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 57 - QG2 VAL 45 far 0 97 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (8.62, 0.99, 19.47 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + QG1 VAL 45 OK 100 100 100 100 2.4-2.5 630=100, 2098/2.1=70...(8) H ASN 49 - QG1 VAL 45 far 0 68 0 - 4.9-5.0 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (3.69, 0.99, 19.47 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 45 + QG1 VAL 45 OK 100 100 100 100 3.2-3.2 3.2=100 HD3 PRO 44 - QG1 VAL 45 far 0 76 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (2.06, 0.99, 19.47 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 45 + QG1 VAL 45 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 PRO 44 - QG1 VAL 45 poor 14 71 20 - 3.3-3.5 HG2 PRO 44 - QG1 VAL 45 far 0 87 0 - 4.8-5.1 HB2 GLU 50 - QG1 VAL 45 far 0 71 0 - 7.6-8.1 HB3 GLU 50 - QG1 VAL 45 far 0 71 0 - 9.1-9.3 HB VAL 76 - QG1 VAL 45 far 0 81 0 - 9.4-14.6 HB3 GLN 91 - QG1 VAL 45 far 0 71 0 - 9.8-41.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + HA ASP 46 OK 100 100 100 100 2.9-2.9 3.0=100 H PHE 48 - HA ASP 46 far 0 100 0 - 4.4-4.7 Violated in 0 structures by 0.00 A. 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; 3.18 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 46 + HA ASP 46 OK 100 100 100 100 2.6-2.8 3.0=100 HB3 ASN 49 - HA ASP 46 far 0 81 0 - 4.5-4.6 Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (2.55, 4.49, 57.78 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 46 + HA ASP 46 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 ASP 24 - HA ASP 67 far 0 87 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (8.77, 2.70, 39.53 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + HB2 ASP 46 OK 100 100 100 100 2.3-3.4 633=100, 634/1.8=91...(7) H PHE 48 - HB2 ASP 46 far 0 100 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 2118 from cnoeabs.peaks (4.49, 2.70, 39.53 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + HB2 ASP 46 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 ASP 46 + HB2 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (8.77, 2.55, 39.53 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + HB3 ASP 46 OK 100 100 100 100 2.1-2.9 634=100, 633/1.8=82...(7) H PHE 48 - HB3 ASP 46 far 0 100 0 - 4.6-5.1 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (4.49, 2.55, 39.53 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 46 + HB3 ASP 46 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (2.70, 2.55, 39.53 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 46 + HB3 ASP 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 49 - HB3 ASP 46 far 0 81 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 100 100 2.8-2.8 3.0=100 HE ARG 54 - HA ASP 47 far 0 100 0 - 5.1-9.4 Violated in 0 structures by 0.00 A. 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; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 ASN 49 - HA ASP 47 far 0 96 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (2.59, 4.39, 56.46 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.1=100 HE ARG 54 - HB2 ASP 47 far 0 100 0 - 5.0-10.9 H ILE 40 - HB2 ASP 47 far 0 71 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (4.39, 2.67, 40.94 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (7.27, 2.59, 40.94 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.2-3.1 4.1=100 HE ARG 54 - HB3 ASP 47 far 0 100 0 - 6.7-11.2 H ILE 40 - HB3 ASP 47 far 0 71 0 - 8.9-9.7 H ILE 40 - HB3 ASP 24 far 0 35 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 2134 from cnoeabs.peaks (4.39, 2.59, 40.94 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2135 from cnoeabs.peaks (2.67, 2.59, 40.94 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASN 49 - HB3 ASP 47 far 0 96 0 - 8.1-8.2 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + HA PHE 48 OK 100 100 100 100 2.8-2.8 3.0=100 H ASP 46 - HA PHE 48 far 0 100 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 PHE 48 + HA PHE 48 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (2.88, 4.03, 60.97 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PHE 48 + HA PHE 48 OK 100 100 100 100 2.4-2.4 3.0=100 HB2 ASN 49 - HA PHE 48 far 0 92 0 - 5.6-5.7 HB2 PHE 35 - HA PHE 48 far 0 57 0 - 8.3-8.4 HB3 PHE 35 - HA PHE 48 far 0 63 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (7.07, 4.03, 60.97 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.99: * QD PHE 48 + HA PHE 48 OK 99 100 100 99 2.6-2.8 3.7=99 Violated in 0 structures by 0.00 A. Peak 2143 from cnoeabs.peaks (8.77, 3.13, 38.68 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB2 PHE 48 OK 100 100 100 100 2.3-2.4 641=100, 642/1.8=87...(11) H ASP 46 - HB2 PHE 48 far 0 100 0 - 4.5-4.7 Violated in 0 structures by 0.00 A. Peak 2144 from cnoeabs.peaks (4.03, 3.13, 38.68 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 48 + HB2 PHE 48 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 44 - HB2 PHE 48 far 0 99 0 - 6.6-6.9 HA ARG 70 - HB2 PHE 48 far 0 63 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 PHE 48 + HB2 PHE 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 49 - HB2 PHE 48 far 0 92 0 - 4.5-4.7 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (7.07, 3.13, 38.68 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 48 + HB2 PHE 48 OK 100 100 100 100 2.3-2.3 2.5=100 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (8.77, 2.88, 38.68 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.6-2.7 642=100, 641/1.8=85...(10) H ASP 46 - HB3 PHE 48 far 0 100 0 - 5.6-5.7 Violated in 0 structures by 0.00 A. Peak 2150 from cnoeabs.peaks (4.03, 2.88, 38.68 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HA PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.4-2.4 3.0=100 HD2 PRO 44 - HB3 PHE 48 far 0 99 0 - 6.0-6.2 HA PHE 48 - HB2 PHE 35 far 0 55 0 - 8.3-8.4 HA PHE 48 - HB3 PHE 35 far 0 61 0 - 8.7-8.9 HA ARG 70 - HB3 PHE 48 far 0 63 0 - 9.0-10.0 HA ARG 54 - HB3 PHE 35 far 0 41 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (3.13, 2.88, 38.68 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 48 + HB3 PHE 48 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (2.88, 2.88, 38.68 ppm; diagonal): 3 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 3 assignments used, quality = 1.00: * QD PHE 48 + HB3 PHE 48 OK 100 100 100 100 2.5-2.6 2.5=100 QD PHE 48 - HB2 PHE 35 far 0 54 0 - 7.5-7.9 QD PHE 48 - HB3 PHE 35 far 0 60 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (4.03, 7.07, 131.51 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 48 + QD PHE 48 OK 100 100 100 100 2.6-2.8 3.7=100 HD2 PRO 44 - QD PHE 48 far 0 98 0 - 7.5-7.6 HA ARG 70 - QD PHE 48 far 0 61 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (3.13, 7.07, 131.51 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 48 + QD PHE 48 OK 100 100 100 100 2.3-2.3 2.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.6 2.5=100 HB2 ASN 49 + QD PHE 48 OK 89 91 100 98 4.5-4.7 178/180=84, ~4493=46...(5) HB2 PHE 35 - QD PHE 48 far 0 56 0 - 7.5-7.9 HB3 PHE 35 - QD PHE 48 far 0 61 0 - 8.3-8.7 HB2 ASP 67 - QD PHE 48 far 0 91 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (7.16, 7.07, 131.51 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 48 + QD PHE 48 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HA ASN 49 OK 100 100 100 100 2.8-2.8 3.0=100 H VAL 45 - HA ASN 49 far 0 68 0 - 8.3-8.4 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HA ASN 49 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PHE 48 - HA ASN 49 far 0 90 0 - 5.6-5.6 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (2.68, 4.14, 55.66 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 49 + HA ASN 49 OK 100 100 100 100 2.7-2.7 3.0=100 HB2 ASP 47 - HA ASN 49 far 0 96 0 - 7.6-8.3 HB2 ASP 46 - HA ASN 49 far 0 81 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (6.86, 4.14, 55.66 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 49 + HA ASN 49 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (7.83, 4.14, 55.66 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HA ASN 49 OK 100 100 100 100 4.2-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (8.65, 2.90, 37.13 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HB2 ASN 49 OK 100 100 100 100 2.2-2.2 647=100, 648/1.8=77...(10) H VAL 45 - HB2 ASN 49 far 0 68 0 - 6.9-7.0 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (4.14, 2.90, 37.13 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 49 + HB2 ASN 49 OK 100 100 100 100 3.0-3.0 3.0=100 HA ALA 53 - HB2 ASN 49 far 0 71 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. 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; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 49 + HB2 ASN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 46 - HB2 ASN 49 far 0 81 0 - 5.1-5.6 HB2 ASP 47 - HB2 ASN 49 far 0 96 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 2171 from cnoeabs.peaks (6.86, 2.90, 37.13 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 49 + HB2 ASN 49 OK 100 100 100 100 3.4-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (7.83, 2.90, 37.13 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 49 + HB2 ASN 49 OK 100 100 100 100 2.1-2.2 3.5=100 Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (8.65, 2.68, 37.13 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HB3 ASN 49 OK 100 100 100 100 3.5-3.5 648=100, 647/1.8=91...(6) H VAL 45 - HB3 ASN 49 far 0 68 0 - 8.5-8.7 Violated in 0 structures by 0.00 A. Peak 2174 from cnoeabs.peaks (4.14, 2.68, 37.13 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 49 + HB3 ASN 49 OK 100 100 100 100 2.7-2.7 3.0=100 HA ALA 53 - HB3 ASN 49 far 0 71 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (2.90, 2.68, 37.13 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 49 + HB3 ASN 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 48 - HB3 ASN 49 far 0 90 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HD21 ASN 49 + HB3 ASN 49 OK 100 100 100 100 3.8-3.9 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2179 from cnoeabs.peaks (7.73, 3.96, 59.12 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 50 + HA GLU 50 OK 100 100 100 100 2.9-2.9 3.0=100 H MET 31 - HA GLN 61 far 0 76 0 - 6.1-6.9 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-2.7 3.0=100 * HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 MET 31 + HA GLN 61 OK 41 52 100 78 2.6-3.4 4.3/5079=30, 3162=23...(9) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (2.04, 3.96, 59.12 ppm; 3.23 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 MET 31 + HA GLN 61 OK 41 52 100 78 2.6-3.4 4.3/5079=30, 3162=23...(9) HG2 PRO 44 - HA GLU 50 far 0 99 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (2.37, 3.96, 59.12 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-3.7 3.7=100 HB VAL 65 - HA GLN 61 far 0 81 0 - 6.1-7.0 HG2 GLU 59 - HA GLN 61 far 0 57 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (2.21, 3.96, 59.12 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 50 + HA GLU 50 OK 100 100 100 100 2.3-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 2185 from cnoeabs.peaks (7.73, 2.04, 29.07 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.2-2.5 654=100, 656/3.0=45...(10) H GLU 50 + HB3 GLU 50 OK 99 100 100 99 3.5-3.6 654/1.8=83, 3.9=61...(9) H MET 31 - HB3 GLU 25 far 0 55 0 - 8.9-9.1 H MET 31 - HB2 GLU 25 far 0 56 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2186 from cnoeabs.peaks (3.96, 2.04, 29.07 ppm; 3.33 A): 2 out of 11 assignments used, quality = 1.00: HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-2.7 3.0=100 * HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.7-3.0 3.0=100 HA2 GLY 21 - HB2 GLU 25 poor 17 68 25 - 3.2-6.1 HA3 GLY 21 - HB2 GLU 25 poor 13 67 20 - 3.0-5.8 HA3 GLY 21 - HB3 GLU 25 far 7 66 10 - 3.3-6.4 HA2 GLY 21 - HB3 GLU 25 far 3 67 5 - 3.4-6.7 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.9-9.9 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 7.1-7.6 HA THR 37 - HB2 GLU 25 far 0 40 0 - 7.3-10.1 HA ALA 28 - HB2 GLU 25 far 0 74 0 - 8.0-8.3 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.2-2.6 3.0=100 * HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.8-3.0 3.0=93, 2206/1.8=27...(10) * HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.3-2.9 3.0=93, 656/654=34...(10) HG3 GLU 19 - HB3 GLU 25 far 2 47 5 - 3.0-13.8 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.3-13.0 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 4.3-14.1 HG2 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.7-13.4 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (7.73, 2.04, 29.07 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: H GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.2-2.5 654=100, 656/3.0=45...(10) * H GLU 50 + HB3 GLU 50 OK 99 100 100 99 3.5-3.6 654/1.8=83, 3.9=61...(9) H MET 31 - HB3 GLU 25 far 0 55 0 - 8.9-9.1 H MET 31 - HB2 GLU 25 far 0 56 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (3.96, 2.04, 29.07 ppm; 3.33 A): 2 out of 11 assignments used, quality = 1.00: * HA GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.3-2.7 3.0=100 HA GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.7-3.0 3.0=100 HA2 GLY 21 - HB2 GLU 25 poor 17 68 25 - 3.2-6.1 HA3 GLY 21 - HB2 GLU 25 poor 13 67 20 - 3.0-5.8 HA3 GLY 21 - HB3 GLU 25 far 7 66 10 - 3.3-6.4 HA2 GLY 21 - HB3 GLU 25 far 3 67 5 - 3.4-6.7 HA THR 37 - HB3 GLU 25 far 0 40 0 - 6.9-9.9 HA ALA 28 - HB3 GLU 25 far 0 73 0 - 7.1-7.6 HA THR 37 - HB2 GLU 25 far 0 40 0 - 7.3-10.1 HA ALA 28 - HB2 GLU 25 far 0 74 0 - 8.0-8.3 HA2 GLY 72 - HB2 GLU 25 far 0 76 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 GLU 50 + HB3 GLU 50 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLU 50 + HB2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (2.21, 2.04, 29.07 ppm; 2.91 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 50 + HB3 GLU 50 OK 97 100 100 97 2.8-3.0 3.0=93, 2206/1.8=27...(10) HG3 GLU 50 + HB2 GLU 50 OK 97 100 100 97 2.3-2.9 3.0=93, 656/654=34...(10) HG3 GLU 19 - HB3 GLU 25 far 2 47 5 - 3.0-13.8 HG2 GLU 19 - HB3 GLU 25 far 0 47 0 - 4.3-13.0 HG3 GLU 19 - HB2 GLU 25 far 0 48 0 - 4.3-14.1 HG2 GLU 19 - HB2 GLU 25 far 0 48 0 - 5.7-13.4 Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (7.73, 2.37, 36.01 ppm; 4.32 A increased from 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + HG2 GLU 50 OK 100 100 100 100 3.2-4.2 655=100, 656/1.8=89...(7) Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (3.96, 2.37, 36.01 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.7 3.7=100 HA GLN 61 - HG2 GLU 59 far 0 63 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.2-2.6 3.0=100 * HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.9-8.7 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 9.6-12.6 HB3 PRO 56 - HG2 GLU 59 far 0 59 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (2.04, 2.37, 36.01 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 GLU 50 + HG2 GLU 50 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 44 - HG2 GLU 50 far 0 99 0 - 7.9-8.7 HB3 MET 31 - HG2 GLU 59 far 0 29 0 - 9.6-12.6 HB3 PRO 56 - HG2 GLU 59 far 0 59 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (2.37, 2.37, 36.01 ppm; diagonal): 2 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 1 assignment used, quality = 1.00: * HG3 GLU 50 + HG2 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (7.73, 2.21, 36.01 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 50 + HG3 GLU 50 OK 100 100 100 100 2.4-3.2 656=100, 653/3.0=82...(6) H MET 31 - HG2 GLU 19 far 0 54 0 - 9.5-21.0 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (3.96, 2.21, 36.01 ppm; 3.92 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 50 + HG3 GLU 50 OK 100 100 100 100 2.3-3.6 3.7=100 HA2 GLY 21 - HG2 GLU 19 far 0 66 0 - 4.3-9.9 HA2 GLY 21 - HG3 GLU 19 far 0 66 0 - 4.4-10.7 HA3 GLY 21 - HG3 GLU 19 far 0 65 0 - 4.6-10.2 HA3 GLY 21 - HG2 GLU 19 far 0 65 0 - 5.0-9.8 HA2 GLY 72 - HG2 GLU 19 far 0 73 0 - 7.7-22.8 HA2 GLY 72 - HG3 GLU 19 far 0 73 0 - 7.7-23.4 HA THR 37 - HG3 GLU 19 far 0 39 0 - 8.9-19.4 HA ALA 28 - HG2 GLU 19 far 0 71 0 - 8.9-19.3 HA LYS 32 - HG2 GLU 19 far 0 65 0 - 9.0-20.2 HA ALA 28 - HG3 GLU 19 far 0 71 0 - 9.3-20.1 HA LYS 32 - HG3 GLU 19 far 0 65 0 - 10.0-21.3 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 5 out of 19 assignments used, quality = 0.98: * HB2 GLU 50 + HG3 GLU 50 OK 86 100 100 86 2.3-2.9 3.0=66, 1.8/2196=27...(7) HB2 GLU 87 + HG3 GLU 87 OK 58 95 80 76 2.2-3.0 3.0=66, 3566/1.8=13...(8) HB3 GLU 19 + HG2 GLU 19 OK 38 73 70 74 2.3-3.0 3.0=64, 1223/1.8=13...(7) HB2 GLU 87 + HG2 GLU 87 OK 34 96 45 78 2.4-3.0 3.0=66, 3566/1.8=23...(7) HB3 GLU 19 + HG3 GLU 19 OK 25 73 45 76 2.3-3.0 3.0=64, 1223/1.8=20...(7) HB3 GLU 50 - HG3 GLU 50 far 10 100 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 3.0-13.8 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 8.0-13.2 HB VAL 45 - HG3 GLU 87 far 0 67 0 - 8.8-39.1 HB3 GLN 91 - HG3 GLU 50 far 0 100 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 73 0 - 9.4-29.3 HB VAL 45 - HG2 GLU 87 far 0 68 0 - 9.4-38.9 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 9.4-10.8 HB VAL 76 - HG3 GLU 19 far 0 73 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (2.04, 2.21, 36.01 ppm; 2.60 A): 5 out of 19 assignments used, quality = 0.98: HB2 GLU 50 + HG3 GLU 50 OK 86 100 100 86 2.3-2.9 3.0=66, 1.8/2196=27...(7) HB2 GLU 87 + HG3 GLU 87 OK 58 95 80 76 2.2-3.0 3.0=66, 3566/1.8=13...(8) HB3 GLU 19 + HG2 GLU 19 OK 38 73 70 74 2.3-3.0 3.0=64, 1223/1.8=13...(7) HB2 GLU 87 + HG2 GLU 87 OK 34 96 45 78 2.4-3.0 3.0=66, 3566/1.8=23...(7) HB3 GLU 19 + HG3 GLU 19 OK 25 73 45 76 2.3-3.0 3.0=64, 1223/1.8=20...(7) ! HB3 GLU 50 - HG3 GLU 50 far 10 100 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 3.0-13.8 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 99 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 74 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 75 0 - 8.0-13.2 HB VAL 45 - HG3 GLU 87 far 0 67 0 - 8.8-39.1 HB3 GLN 91 - HG3 GLU 50 far 0 100 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 73 0 - 9.4-29.3 HB VAL 45 - HG2 GLU 87 far 0 68 0 - 9.4-38.9 HB VAL 45 - HG3 GLU 50 far 0 71 0 - 9.4-10.8 HB VAL 76 - HG3 GLU 19 far 0 73 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (2.37, 2.21, 36.01 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 50 + HG3 GLU 50 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + HA LEU 51 OK 100 100 100 100 2.8-2.8 3.0=100 H ARG 54 + HA LEU 51 OK 97 100 100 97 3.2-3.4 4567=57, 676/5219=41...(11) H LEU 43 - HA LEU 51 far 0 97 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + HA LEU 51 OK 100 100 100 100 2.4-2.5 3.0=100 HG2 ARG 54 + HA LEU 51 OK 80 92 90 97 2.7-4.1 3.0/5220=44, 3.0/5219=41...(13) HB2 LEU 52 - HA LEU 51 far 0 93 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.60, 3.89, 57.93 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 51 + HA LEU 51 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 ARG 54 - HA LEU 51 far 4 76 5 - 2.1-5.3 HD2 LYS 39 - HA LEU 51 far 0 90 0 - 6.1-9.3 HD3 LYS 39 - HA LEU 51 far 0 89 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (0.89, 3.89, 57.93 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + HA LEU 51 OK 100 100 100 100 3.1-3.3 2.1/2245=86, 4.3=71...(14) QD1 LEU 62 - HA LEU 51 far 0 87 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (0.19, 3.89, 57.93 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 51 + HA LEU 51 OK 100 100 100 100 3.9-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (0.62, 3.89, 57.93 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 51 + HA LEU 51 OK 100 100 100 100 2.0-2.4 2245=100, 2.1/2213=50...(19) Violated in 0 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (7.53, 1.32, 41.26 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.4-2.7 659=100, 660/1.8=79...(13) H ARG 54 - HB2 LEU 52 far 0 61 0 - 5.2-5.6 H ARG 54 - HB2 LEU 51 far 0 100 0 - 5.4-5.6 H LEU 51 - HB2 LEU 52 far 0 61 0 - 6.2-6.4 H LEU 43 - HB2 LEU 51 far 0 97 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (3.89, 1.32, 41.26 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.4-2.5 3.0=100 HA LEU 51 - HB2 LEU 52 far 0 61 0 - 6.6-6.6 HD2 PRO 36 - HB2 LEU 51 far 0 81 0 - 9.7-10.0 HA ILE 33 - HB2 LEU 52 far 0 60 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. 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): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 51 + HB2 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 62 - HB2 LEU 52 far 0 55 0 - 4.1-6.3 HG3 ARG 54 - HB2 LEU 51 far 0 76 0 - 4.4-7.6 HD2 LYS 39 - HB2 LEU 51 far 0 90 0 - 4.6-7.7 HB3 LEU 51 - HB2 LEU 52 far 0 61 0 - 5.6-5.8 HD3 LYS 39 - HB2 LEU 51 far 0 89 0 - 6.1-8.2 HG3 ARG 54 - HB2 LEU 52 far 0 39 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (0.89, 1.32, 41.26 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 51 + HB2 LEU 51 OK 100 100 100 100 3.0-3.0 3.0=100 QD1 LEU 62 + HB2 LEU 52 OK 44 47 95 100 2.7-4.8 2.1/5004=75, ~5005=53...(15) HG LEU 51 - HB2 LEU 52 far 0 61 0 - 5.5-6.2 QD1 LEU 62 - HB2 LEU 51 far 0 87 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (0.19, 1.32, 41.26 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.3-2.5 3.1=100 QD2 LEU 51 - HB2 LEU 52 far 0 61 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 2222 from cnoeabs.peaks (0.62, 1.32, 41.26 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 51 + HB2 LEU 51 OK 100 100 100 100 2.2-2.4 3.1=100 QD1 LEU 51 - HB2 LEU 52 far 0 61 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 2223 from cnoeabs.peaks (7.53, 1.60, 41.26 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.3-2.6 660=100, 659/1.8=80...(12) H ARG 54 - HB3 LEU 51 far 0 100 0 - 5.2-5.5 H LEU 43 - HB3 LEU 51 far 0 97 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 2224 from cnoeabs.peaks (3.89, 1.60, 41.26 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 51 + HB3 LEU 51 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2225 from cnoeabs.peaks (1.32, 1.60, 41.26 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 51 + HB3 LEU 51 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 54 - HB3 LEU 51 far 0 92 0 - 5.6-7.0 HB2 LEU 52 - HB3 LEU 51 far 0 93 0 - 5.6-5.8 Violated in 0 structures by 0.00 A. 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; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + HB3 LEU 51 OK 100 100 100 100 2.4-2.5 3.0=100 QD1 LEU 62 - HB3 LEU 51 far 0 87 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2230 from cnoeabs.peaks (7.53, 0.89, 26.17 ppm; 4.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + HG LEU 51 OK 100 100 100 100 4.4-4.5 661=100, 659/3.0=92...(10) H ARG 54 + HG LEU 51 OK 89 100 95 94 4.9-5.2 4567/2213=64...(4) H LEU 43 - HG LEU 51 far 0 97 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (3.89, 0.89, 26.17 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 51 + HG LEU 51 OK 100 100 100 100 3.1-3.3 4.3=100 HA ILE 33 - HG LEU 51 far 0 100 0 - 8.0-8.6 HD2 PRO 36 - HG LEU 51 far 0 81 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (1.32, 0.89, 26.17 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 51 + HG LEU 51 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 52 - HG LEU 51 far 0 93 0 - 5.5-6.2 HG2 ARG 54 - HG LEU 51 far 0 92 0 - 5.8-6.7 QB ALA 28 - HG LEU 51 far 0 89 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 2233 from cnoeabs.peaks (1.60, 0.89, 26.17 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 51 + HG LEU 51 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 ARG 54 - HG LEU 51 far 0 76 0 - 5.2-7.4 HD2 LYS 39 - HG LEU 51 far 0 90 0 - 5.2-8.1 HD3 LYS 39 - HG LEU 51 far 0 89 0 - 6.1-7.9 HB3 LEU 62 - HG LEU 51 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (7.53, 0.19, 24.73 ppm; 4.58 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD2 LEU 51 OK 100 100 100 100 4.1-4.2 4.5=100 H LEU 43 - QD2 LEU 51 far 5 97 5 - 4.7-5.9 H ARG 54 - QD2 LEU 51 far 0 100 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 2238 from cnoeabs.peaks (3.89, 0.19, 24.73 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 51 + QD2 LEU 51 OK 100 100 100 100 3.9-3.9 4.0=100 HD2 PRO 36 - QD2 LEU 51 far 0 81 0 - 6.2-6.6 HA ILE 33 - QD2 LEU 51 far 0 100 0 - 7.1-7.4 Violated in 0 structures by 0.00 A. Peak 2239 from cnoeabs.peaks (1.32, 0.19, 24.73 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.3-2.5 3.1=100 HB2 LEU 52 - QD2 LEU 51 far 0 93 0 - 6.0-6.5 HG2 ARG 54 - QD2 LEU 51 far 0 92 0 - 6.1-7.2 QB ALA 28 - QD2 LEU 51 far 0 89 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (1.60, 0.19, 24.73 ppm; 3.58 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.1-2.4 3.1=100 HD2 LYS 39 + QD2 LEU 51 OK 53 90 60 97 2.6-5.0 5214/4917=52...(19) HD3 LYS 39 + QD2 LEU 51 OK 21 89 25 96 3.5-5.0 3.5/5204=31, 3.5/5205=28...(20) HG3 ARG 54 - QD2 LEU 51 far 0 76 0 - 5.7-7.9 HB3 LEU 62 - QD2 LEU 51 far 0 97 0 - 8.4-9.1 HD3 LYS 73 - QD2 LEU 51 far 0 97 0 - 9.0-12.8 HD2 LYS 73 - QD2 LEU 51 far 0 97 0 - 9.1-13.1 HG3 ARG 17 - QD2 LEU 51 far 0 83 0 - 9.6-20.7 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (0.89, 0.19, 24.73 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 51 + QD2 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - QD2 LEU 51 far 0 87 0 - 6.9-8.1 HG12 ILE 68 - QD2 LEU 51 far 0 60 0 - 8.2-9.3 QG2 VAL 76 - QD2 LEU 51 far 0 60 0 - 9.4-13.7 QG1 VAL 76 - QD2 LEU 51 far 0 60 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (7.53, 0.62, 23.89 ppm; 4.28 A increased from 4.02 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 51 + QD1 LEU 51 OK 100 100 100 100 4.0-4.2 663=100, 3.0/2245=84...(14) H ARG 54 + QD1 LEU 51 OK 98 100 100 98 4.1-4.5 4567/2245=62...(8) H LEU 43 - QD1 LEU 51 far 0 97 0 - 6.2-7.6 Violated in 0 structures by 0.00 A. Peak 2245 from cnoeabs.peaks (3.89, 0.62, 23.89 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 51 + QD1 LEU 51 OK 99 100 100 99 2.0-2.4 2215=84, 2213/2.1=44...(19) HD2 PRO 36 - QD1 LEU 51 far 0 81 0 - 6.1-6.3 HA ILE 33 - QD1 LEU 51 far 0 100 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (1.32, 0.62, 23.89 ppm; 3.33 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.2-2.4 3.1=100 HG2 ARG 54 - QD1 LEU 51 far 0 92 0 - 3.9-4.9 HB2 LEU 52 - QD1 LEU 51 far 0 93 0 - 6.4-6.9 QB ALA 28 - QD1 LEU 51 far 0 89 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 2247 from cnoeabs.peaks (1.60, 0.62, 23.89 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 51 + QD1 LEU 51 OK 100 100 100 100 3.2-3.2 3.1=100 HD2 LYS 39 + QD1 LEU 51 OK 49 90 60 91 3.0-5.5 3.0/6094=26, 3.0/6093=23...(17) HD3 LYS 39 - QD1 LEU 51 far 9 89 10 - 3.8-5.5 HG3 ARG 54 - QD1 LEU 51 far 4 76 5 - 3.6-5.5 HB3 LEU 62 - QD1 LEU 51 far 0 97 0 - 9.3-10.5 HG3 ARG 17 - QD1 LEU 51 far 0 83 0 - 9.3-20.7 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (0.89, 0.62, 23.89 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 51 + QD1 LEU 51 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 62 - QD1 LEU 51 far 0 87 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 HE21 GLN 61 - HA LEU 52 far 0 60 0 - 7.6-9.7 H LEU 64 - HA LEU 52 far 0 97 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. 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): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 52 + HA LEU 52 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LEU 51 - HA LEU 52 far 0 93 0 - 5.6-5.6 HG2 ARG 54 - HA LEU 52 far 0 60 0 - 6.4-7.3 QG2 THR 58 - HA LEU 52 far 0 76 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (1.47, 3.81, 57.23 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 52 + HA LEU 52 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 57 - HA LEU 52 far 0 100 0 - 5.4-6.8 QB ALA 63 - HA LEU 52 far 0 95 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (1.20, 3.81, 57.23 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 52 + HA LEU 52 OK 100 100 100 100 3.0-3.1 3.7=100 QG2 VAL 65 - HA LEU 52 far 4 89 5 - 4.1-5.5 HG13 ILE 33 - HA LEU 52 far 0 73 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2257 from cnoeabs.peaks (0.51, 3.81, 57.23 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 52 + HA LEU 52 OK 100 100 100 100 2.2-2.4 2287=100, 670/3.0=40...(19) Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (7.43, 1.33, 40.92 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 52 + HB2 LEU 52 OK 100 100 100 100 3.6-3.6 3.9=92, 667/1.8=86...(8) H LEU 52 + HB2 LEU 51 OK 61 61 100 100 3.8-4.0 196/1.8=84, 193/659=61...(8) HE21 GLN 61 - HB2 LEU 52 far 0 60 0 - 8.4-10.9 H LEU 64 - HB2 LEU 52 far 0 97 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 2259 from cnoeabs.peaks (3.81, 1.33, 40.92 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.4-2.5 3.0=100 HA LEU 52 - HB2 LEU 51 far 0 61 0 - 5.6-5.6 Violated in 0 structures by 0.00 A. 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 52 + HB2 LEU 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 57 - HB2 LEU 52 far 0 100 0 - 5.7-7.4 HB3 LEU 52 - HB2 LEU 51 far 0 61 0 - 6.3-6.5 QB ALA 63 - HB2 LEU 52 far 0 95 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (1.20, 1.33, 40.92 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 52 + HB2 LEU 52 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 VAL 65 - HB2 LEU 52 far 0 89 0 - 4.8-6.2 HG LEU 52 - HB2 LEU 51 far 0 61 0 - 5.0-5.3 QG2 VAL 65 - HB2 LEU 51 far 0 48 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (0.44, 1.33, 40.92 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.4-2.5 3.1=100 QD1 LEU 52 - HB2 LEU 51 far 0 61 0 - 6.1-6.4 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (0.51, 1.33, 40.92 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 52 + HB2 LEU 52 OK 100 100 100 100 2.2-2.3 3.1=100 QD2 LEU 52 - HB2 LEU 51 far 0 61 0 - 5.2-5.7 Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (7.43, 1.47, 40.92 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + HB3 LEU 52 OK 100 100 100 100 2.5-2.6 667=100, 668/3.0=67...(11) Violated in 0 structures by 0.00 A. Peak 2266 from cnoeabs.peaks (3.81, 1.47, 40.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + HB3 LEU 52 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (1.33, 1.47, 40.92 ppm; 2.94 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 52 + HB3 LEU 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 51 - HB3 LEU 52 far 0 93 0 - 6.3-6.5 HG2 ARG 54 - HB3 LEU 52 far 0 60 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HG LEU 52 + HB3 LEU 52 OK 100 100 100 100 2.5-2.5 3.0=100 QG2 VAL 65 - HB3 LEU 52 far 0 89 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.4 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2272 from cnoeabs.peaks (7.43, 1.20, 26.33 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + HG LEU 52 OK 100 100 100 100 2.0-2.3 668=100, 670/2.1=68...(11) H LEU 64 - HG LEU 52 far 0 97 0 - 9.4-10.1 HE21 GLN 61 - HG LEU 52 far 0 60 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2273 from cnoeabs.peaks (3.81, 1.20, 26.33 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + HG LEU 52 OK 100 100 100 100 3.0-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 2274 from cnoeabs.peaks (1.33, 1.20, 26.33 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 52 + HG LEU 52 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 51 - HG LEU 52 far 0 93 0 - 5.0-5.3 HG2 ARG 54 - HG LEU 52 far 0 60 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 2275 from cnoeabs.peaks (1.47, 1.20, 26.33 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 52 + HG LEU 52 OK 100 100 100 100 2.5-2.5 3.0=100 HB3 LEU 57 - HG LEU 52 far 0 100 0 - 7.6-8.5 QB ALA 63 - HG LEU 52 far 0 95 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2279 from cnoeabs.peaks (7.43, 0.44, 24.59 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD1 LEU 52 OK 100 100 100 100 3.4-3.6 669=100, 668/2.1=89...(12) H LEU 64 - QD1 LEU 52 far 0 97 0 - 6.9-7.9 HE21 GLN 61 - QD1 LEU 52 far 0 60 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (3.81, 0.44, 24.59 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + QD1 LEU 52 OK 100 100 100 100 3.9-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2281 from cnoeabs.peaks (1.33, 0.44, 24.59 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 52 + QD1 LEU 52 OK 100 100 100 100 2.4-2.5 3.1=100 HB2 LEU 51 - QD1 LEU 52 far 0 93 0 - 6.1-6.4 HG2 ARG 54 - QD1 LEU 52 far 0 60 0 - 7.6-8.7 QG2 THR 58 - QD1 LEU 52 far 0 76 0 - 9.0-9.2 QB ALA 28 - QD1 LEU 52 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (1.47, 0.44, 24.59 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 52 + QD1 LEU 52 OK 100 100 100 100 2.1-2.4 3.1=100 QB ALA 63 - QD1 LEU 52 far 0 95 0 - 6.1-7.6 HB3 LEU 57 - QD1 LEU 52 far 0 100 0 - 6.3-7.4 HG2 LYS 73 - QD1 LEU 52 far 0 100 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (1.20, 0.44, 24.59 ppm; 3.32 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 52 + QD1 LEU 52 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 65 - QD1 LEU 52 far 0 89 0 - 4.3-5.1 QG2 THR 37 - QD1 LEU 52 far 0 73 0 - 9.2-10.9 HG13 ILE 33 - QD1 LEU 52 far 0 73 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (7.43, 0.51, 22.90 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD2 LEU 52 OK 100 100 100 100 3.2-3.5 670=100, 668/2.1=86...(11) H LEU 64 - QD2 LEU 52 far 0 97 0 - 5.9-6.7 HE21 GLN 61 - QD2 LEU 52 far 0 60 0 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 2287 from cnoeabs.peaks (3.81, 0.51, 22.90 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 52 + QD2 LEU 52 OK 100 100 100 100 2.2-2.4 2257=94, 3.0/670=39...(19) Violated in 0 structures by 0.00 A. Peak 2288 from cnoeabs.peaks (1.33, 0.51, 22.90 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 52 + QD2 LEU 52 OK 100 100 100 100 2.2-2.3 3.1=100 HB2 LEU 51 - QD2 LEU 52 far 0 93 0 - 5.2-5.7 HG2 ARG 54 - QD2 LEU 52 far 0 60 0 - 7.2-8.3 QG2 THR 58 - QD2 LEU 52 far 0 76 0 - 7.8-8.1 QB ALA 28 - QD2 LEU 52 far 0 100 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (1.47, 0.51, 22.90 ppm; 3.70 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 52 + QD2 LEU 52 OK 100 100 100 100 3.2-3.2 3.1=100 HB3 LEU 57 - QD2 LEU 52 far 0 100 0 - 4.5-5.2 QB ALA 63 - QD2 LEU 52 far 0 95 0 - 5.9-7.0 HG12 ILE 33 - QD2 LEU 52 far 0 60 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 65 + QD2 LEU 52 OK 80 89 95 95 2.5-3.4 4726=45, 2.1/4728=44...(18) HG13 ILE 33 - QD2 LEU 52 far 0 73 0 - 7.0-7.7 QG2 THR 37 - QD2 LEU 52 far 0 73 0 - 7.4-9.3 QG2 THR 15 - QD2 LEU 52 far 0 100 0 - 9.6-20.5 Violated in 0 structures by 0.00 A. Peak 2291 from cnoeabs.peaks (0.44, 0.51, 22.90 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 52 + QD2 LEU 52 OK 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H ALA 53 + HA ALA 53 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * QB ALA 53 + HA ALA 53 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (7.22, 1.39, 18.28 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + QB ALA 53 OK 100 100 100 100 2.0-2.2 2.9=100 Violated in 0 structures by 0.00 A. Peak 2297 from cnoeabs.peaks (4.16, 1.39, 18.28 ppm; 2.68 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 53 + QB ALA 53 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 84 - QB ALA 78 far 0 41 0 - 5.2-14.1 HA ASN 49 - QB ALA 53 far 0 71 0 - 5.5-5.8 HA LYS 73 - QB ALA 78 far 0 52 0 - 7.1-8.8 HA ARG 82 - QB ALA 78 far 0 52 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. 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; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 54 + HA ARG 54 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 51 - HA ARG 54 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 ARG 54 + HA ARG 54 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 PRO 34 - HA ARG 54 far 0 99 0 - 8.2-8.8 HB2 LEU 57 - HA ARG 54 far 0 100 0 - 8.7-10.2 HB2 PRO 34 - HA ARG 54 far 0 93 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2302 from cnoeabs.peaks (1.55, 4.01, 57.13 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 54 + HA ARG 54 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 ARG 54 + HA ARG 54 OK 62 63 100 99 2.1-3.2 3.7=70, 1.8/2324=60...(23) HG LEU 62 - HA ARG 54 far 0 87 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (1.31, 4.01, 57.13 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 54 + HA ARG 54 OK 100 100 100 100 2.3-3.1 2324=100, 1.8/2332=75...(23) HB2 LEU 51 - HA ARG 54 far 0 92 0 - 7.2-7.8 HB2 LEU 52 - HA ARG 54 far 0 60 0 - 7.9-8.0 Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (1.58, 4.01, 57.13 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 54 + HA ARG 54 OK 100 100 100 100 2.1-3.2 2332=75, 1.8/2324=60...(24) HB3 ARG 54 + HA ARG 54 OK 63 63 100 100 2.5-2.7 3.0=100 HB3 LEU 51 - HA ARG 54 far 0 76 0 - 7.5-8.0 HG LEU 62 - HA ARG 54 far 0 97 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.61 A increased from 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 4.2-4.6 3.0/2332=81, 3.0/2324=81...(23) HD3 ARG 54 + HA ARG 54 OK 100 100 100 100 4.0-4.6 3.0/2332=81, 3.0/2324=81...(23) Violated in 0 structures by 0.00 A. Peak 2306 from cnoeabs.peaks (3.03, 4.01, 57.13 ppm; 4.61 A increased from 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + HA ARG 54 OK 100 100 100 100 4.0-4.6 3.0/2332=81, 3.0/2324=81...(23) HD2 ARG 54 + HA ARG 54 OK 100 100 100 100 4.2-4.6 3.0/2332=81, 3.0/2324=81...(23) Violated in 0 structures by 0.00 A. Peak 2307 from cnoeabs.peaks (7.53, 1.76, 30.94 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.1-2.4 676=100, 2315/1.8=64...(17) H LEU 51 - HB2 ARG 54 far 0 100 0 - 4.5-5.1 H ARG 54 - HB2 PRO 34 far 0 51 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 2308 from cnoeabs.peaks (4.01, 1.76, 30.94 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.9-3.0 3.0=100 HA PHE 48 - HB2 ARG 54 far 0 81 0 - 7.0-7.9 HA ARG 54 - HB2 PRO 34 far 0 51 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2309 from cnoeabs.peaks (1.76, 1.76, 30.94 ppm; diagonal): 3 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): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 54 + HB2 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 54 - HB2 ARG 54 far 3 63 5 - 2.3-3.0 HB3 ARG 54 - HB2 PRO 34 far 0 51 0 - 6.9-8.6 HG2 LYS 39 - HB2 ARG 54 far 0 100 0 - 8.1-9.3 HG2 LYS 39 - HB2 PRO 34 far 0 51 0 - 8.2-11.4 HG LEU 62 - HB2 ARG 54 far 0 87 0 - 8.4-10.5 HG3 ARG 54 - HB2 PRO 34 far 0 26 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 2311 from cnoeabs.peaks (1.31, 1.76, 30.94 ppm; 3.85 A): 1 out of 12 assignments used, quality = 1.00: * HG2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HB2 ARG 54 far 0 92 0 - 4.4-5.0 HB2 LEU 52 - HB2 ARG 54 far 0 60 0 - 6.8-7.2 HG2 LYS 32 - HB3 ARG 17 far 0 31 0 - 7.0-21.6 QB ALA 12 - HB3 ARG 17 far 0 27 0 - 7.6-15.8 QB ALA 12 - HB2 PRO 34 far 0 28 0 - 7.6-26.8 HG3 LYS 32 - HB3 ARG 17 far 0 32 0 - 8.3-21.8 HG3 LYS 32 - HB2 PRO 34 far 0 34 0 - 8.6-10.7 HG2 LYS 32 - HB2 PRO 34 far 0 32 0 - 9.0-10.7 QG2 THR 58 - HB2 PRO 34 far 0 50 0 - 9.2-10.6 HB2 LEU 51 - HB2 PRO 34 far 0 42 0 - 9.4-11.1 HG2 ARG 54 - HB2 PRO 34 far 0 51 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (1.58, 1.76, 30.94 ppm; 2.65 A): 1 out of 15 assignments used, quality = 0.63: HB3 ARG 54 + HB2 ARG 54 OK 63 63 100 100 1.8-1.8 1.8=100 ! HG3 ARG 54 - HB2 ARG 54 far 5 100 5 - 2.3-3.0 HB3 LEU 29 - HB3 ARG 17 far 0 49 0 - 4.3-15.9 HB3 LEU 51 - HB2 ARG 54 far 0 76 0 - 4.8-5.4 HB3 ARG 54 - HB2 PRO 34 far 0 26 0 - 6.9-8.6 HD2 LYS 39 - HB2 ARG 54 far 0 99 0 - 7.4-10.7 HD3 LYS 39 - HB2 PRO 34 far 0 50 0 - 7.5-10.2 HD2 LYS 39 - HB2 PRO 34 far 0 49 0 - 7.9-11.7 HG2 LYS 39 - HB2 ARG 54 far 0 63 0 - 8.1-9.3 HG2 LYS 39 - HB2 PRO 34 far 0 26 0 - 8.2-11.4 HG LEU 62 - HB2 ARG 54 far 0 97 0 - 8.4-10.5 HD3 LYS 39 - HB2 ARG 54 far 0 99 0 - 8.5-10.7 HG3 ARG 54 - HB2 PRO 34 far 0 51 0 - 9.3-11.2 HB3 LEU 51 - HB2 PRO 34 far 0 32 0 - 9.5-11.1 HD3 LYS 39 - HB3 ARG 17 far 0 48 0 - 9.7-21.4 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (3.03, 1.76, 30.94 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HD3 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 7.9-10.2 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (3.03, 1.76, 30.94 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HD2 ARG 54 + HB2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HD3 ARG 54 - HB2 PRO 34 far 0 51 0 - 7.9-10.2 HD2 ARG 54 - HB2 PRO 34 far 0 51 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (7.53, 1.55, 30.94 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 54 + HB3 ARG 54 OK 100 100 100 100 3.4-3.6 676/1.8=88, 4.1=77...(16) H LEU 51 - HB3 ARG 54 far 0 100 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 2316 from cnoeabs.peaks (4.01, 1.55, 30.94 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.5-2.7 3.0=100 HA PHE 48 - HB3 ARG 54 far 0 81 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 2317 from cnoeabs.peaks (1.76, 1.55, 30.94 ppm; 2.85 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 34 - HB3 ARG 54 far 0 99 0 - 6.5-7.4 HB2 PRO 34 - HB3 ARG 54 far 0 93 0 - 6.9-8.6 HB2 LEU 57 - HB3 ARG 54 far 0 100 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. 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; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 LEU 51 - HB3 ARG 54 far 0 92 0 - 5.7-6.3 HB2 LEU 52 - HB3 ARG 54 far 0 60 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.1-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (3.03, 1.55, 30.94 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.1-3.4 3.6=100 HD2 ARG 54 + HB3 ARG 54 OK 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2323 from cnoeabs.peaks (7.53, 1.31, 27.15 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 54 + HG2 ARG 54 OK 100 100 100 100 3.0-3.3 678=100, 676/3.0=77...(18) H LEU 51 + HG2 ARG 54 OK 48 100 50 96 4.2-5.9 3.0/4570=49, ~5220=29...(11) Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (4.01, 1.31, 27.15 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.3-3.1 2303=97, 2332/1.8=74...(23) HA PHE 48 - HG2 ARG 54 far 0 81 0 - 7.1-9.1 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (1.76, 1.31, 27.15 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 PRO 34 - HG2 ARG 54 far 0 99 0 - 8.8-9.9 HB2 PRO 34 - HG2 ARG 54 far 0 93 0 - 9.5-11.3 HB2 LEU 57 - HG2 ARG 54 far 0 100 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (1.55, 1.31, 27.15 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ARG 54 + HG2 ARG 54 OK 99 100 100 99 2.6-3.0 3.0=85, 3.0/2324=32...(19) HG3 ARG 54 + HG2 ARG 54 OK 63 63 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG2 ARG 54 far 0 100 0 - 9.1-11.0 HG LEU 62 - HG2 ARG 54 far 0 87 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. 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; 2.65 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 54 + HG2 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 54 - HG2 ARG 54 far 3 63 5 - 2.6-3.0 HB3 LEU 51 - HG2 ARG 54 far 0 76 0 - 5.6-7.0 HD2 LYS 39 - HG2 ARG 54 far 0 99 0 - 8.0-11.4 HG2 LYS 39 - HG2 ARG 54 far 0 63 0 - 9.1-11.0 HD3 LYS 39 - HG2 ARG 54 far 0 99 0 - 9.4-11.8 HG LEU 62 - HG2 ARG 54 far 0 97 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 2329 from cnoeabs.peaks (3.03, 1.31, 27.15 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (3.03, 1.31, 27.15 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 54 + HG2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2331 from cnoeabs.peaks (7.53, 1.58, 27.15 ppm; 4.15 A increased from 3.90 A): 1 out of 7 assignments used, quality = 1.00: * H ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.5-3.9 678/1.8=81, 676/3.0=78...(17) H LEU 51 - HG3 ARG 54 far 5 100 5 - 3.9-7.5 HD21 ASN 80 - HG2 ARG 84 far 0 69 0 - 6.3-17.0 HD21 ASN 80 - HG3 ARG 84 far 0 69 0 - 7.0-17.3 H ARG 54 - HG LEU 62 far 0 90 0 - 7.1-9.5 H LEU 51 - HG LEU 62 far 0 90 0 - 8.6-10.2 HD21 ASN 80 - HG LEU 86 far 0 59 0 - 8.6-24.8 Violated in 0 structures by 0.00 A. Peak 2332 from cnoeabs.peaks (4.01, 1.58, 27.15 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.1-3.2 3.7=93, 2324/1.8=72...(24) HA PHE 48 - HG3 ARG 54 far 0 81 0 - 6.7-10.5 HA PHE 48 - HG LEU 62 far 0 67 0 - 9.3-10.2 HA ARG 54 - HG LEU 62 far 0 90 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (1.76, 1.58, 27.15 ppm; 2.61 A): 1 out of 14 assignments used, quality = 0.69: HB2 LEU 57 + HG LEU 62 OK 69 90 100 76 2.4-2.6 4982=26, 1.8/4983=22...(9) ! HB2 ARG 54 - HG3 ARG 54 far 5 100 5 - 2.3-3.0 HB2 LEU 62 - HG LEU 62 far 4 71 5 - 2.8-2.9 HB3 ARG 82 - HG3 ARG 84 far 0 81 0 - 3.5-10.7 HB3 ARG 82 - HG2 ARG 84 far 0 81 0 - 4.3-9.7 HB2 LYS 83 - HG2 ARG 84 far 0 68 0 - 4.6-8.1 HB2 LYS 83 - HG LEU 86 far 0 57 0 - 4.9-13.4 HB2 LYS 83 - HG3 ARG 84 far 0 68 0 - 5.2-7.9 HB3 ARG 82 - HG LEU 86 far 0 70 0 - 6.5-17.1 HG2 PRO 34 - HG LEU 62 far 0 88 0 - 8.3-9.1 HB2 ARG 54 - HG LEU 62 far 0 90 0 - 8.4-10.5 HG2 PRO 34 - HG3 ARG 54 far 0 99 0 - 8.4-9.9 HB2 PRO 34 - HG3 ARG 54 far 0 93 0 - 9.3-11.2 HB2 LEU 57 - HG3 ARG 54 far 0 100 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 52 + HG LEU 62 OK 36 49 90 82 2.8-4.8 ~5005=21, 5004/2.1=19...(16) HB2 LEU 51 - HG3 ARG 54 far 0 92 0 - 4.4-7.6 QG2 THR 58 - HG LEU 62 far 0 88 0 - 6.8-7.4 HB2 LEU 52 - HG3 ARG 54 far 0 60 0 - 7.4-9.5 HB2 LEU 51 - HG LEU 62 far 0 78 0 - 8.9-10.3 HG2 ARG 54 - HG LEU 62 far 0 90 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 81 - HG2 ARG 84 far 0 80 0 - 4.8-12.2 HB2 TYR 81 - HG3 ARG 84 far 0 80 0 - 5.6-11.8 HB2 TYR 81 - HG LEU 86 far 0 69 0 - 8.4-19.5 Violated in 0 structures by 0.00 A. Peak 2338 from cnoeabs.peaks (3.03, 1.58, 27.15 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 54 + HG3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 TYR 81 - HG2 ARG 84 far 0 80 0 - 4.8-12.2 HB2 TYR 81 - HG3 ARG 84 far 0 80 0 - 5.6-11.8 HB2 TYR 81 - HG LEU 86 far 0 69 0 - 8.4-19.5 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (7.53, 3.03, 43.51 ppm; 5.59 A increased from 4.71 A): 4 out of 5 assignments used, quality = 1.00: * H ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.6-5.4 676/3.6=95, 678/3.0=94...(19) H ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.5-5.4 676/3.6=95, 678/3.0=94...(19) H LEU 51 + HD2 ARG 54 OK 89 100 90 98 4.8-6.9 3.0/4571=55, ~4570=51...(9) H LEU 51 + HD3 ARG 54 OK 54 100 55 98 4.6-7.6 ~4570=51, ~4571=42...(9) H LEU 43 - HD3 ARG 54 far 0 97 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.72 A increased from 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.2-4.6 2332/3.0=83, 2324/3.0=83...(23) HA ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.0-4.6 2332/3.0=83, 2324/3.0=83...(23) HA PHE 48 - HD3 ARG 54 far 0 81 0 - 6.6-10.4 HA PHE 48 - HD2 ARG 54 far 0 81 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (1.76, 3.03, 43.51 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HB2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 7.5-10.1 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 7.9-10.2 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 8.3-11.6 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 8.4-10.7 HB3 LYS 39 - HD3 ARG 54 far 0 89 0 - 9.0-12.8 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 6 assignments used, quality = 1.00: HB3 ARG 54 + HD3 ARG 54 OK 98 100 100 98 2.1-3.4 3.6=71, 2326/3.0=35...(19) HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.3-3.0 3.0=100 * HB3 ARG 54 + HD2 ARG 54 OK 44 100 45 98 2.2-3.6 3.6=71, 2326/3.0=35...(19) HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 6.9-11.1 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (1.31, 3.03, 43.51 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 51 - HD3 ARG 54 far 0 92 0 - 4.0-7.3 HB2 LEU 51 - HD2 ARG 54 far 0 92 0 - 4.3-6.2 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 8.8-10.9 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.13 A): 4 out of 12 assignments used, quality = 1.00: * HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 60 63 100 95 2.1-3.4 3.6=64, 3537/3.0=18...(19) HB3 ARG 54 + HD2 ARG 54 OK 27 63 45 94 2.2-3.6 3.6=64, 3537/3.0=18...(18) HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 5.3-8.4 HB3 LEU 51 - HD2 ARG 54 far 0 76 0 - 5.6-7.3 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 6.2-9.2 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 6.3-10.3 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 6.9-11.1 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.4-10.4 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 7.7-9.8 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. 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; 5.59 A increased from 4.71 A): 4 out of 5 assignments used, quality = 1.00: * H ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.5-5.4 676/3.6=95, 678/3.0=94...(19) H ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.6-5.4 676/3.6=95, 678/3.0=94...(19) H LEU 51 + HD2 ARG 54 OK 89 100 90 98 4.8-6.9 3.0/4571=55, ~4570=51...(9) H LEU 51 + HD3 ARG 54 OK 54 100 55 98 4.6-7.6 ~4570=51, ~4571=42...(9) H LEU 43 - HD3 ARG 54 far 0 97 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (4.01, 3.03, 43.51 ppm; 4.72 A increased from 4.20 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 54 + HD3 ARG 54 OK 100 100 100 100 4.0-4.6 2332/3.0=83, 2324/3.0=83...(23) HA ARG 54 + HD2 ARG 54 OK 100 100 100 100 4.2-4.6 2332/3.0=83, 2324/3.0=83...(23) HA PHE 48 - HD3 ARG 54 far 0 81 0 - 6.6-10.4 HA PHE 48 - HD2 ARG 54 far 0 81 0 - 6.9-9.4 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (1.76, 3.03, 43.51 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HB2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.6-3.8 3.6=100 HG2 PRO 34 - HD3 ARG 54 far 0 99 0 - 7.5-10.1 HB2 PRO 34 - HD3 ARG 54 far 0 93 0 - 7.9-10.2 HB2 PRO 34 - HD2 ARG 54 far 0 93 0 - 8.3-11.6 HG2 PRO 34 - HD2 ARG 54 far 0 99 0 - 8.4-10.7 HB3 LYS 39 - HD3 ARG 54 far 0 89 0 - 9.0-12.8 HB3 LYS 39 - HD2 ARG 54 far 0 89 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2350 from cnoeabs.peaks (1.55, 3.03, 43.51 ppm; 3.24 A): 4 out of 6 assignments used, quality = 1.00: * HB3 ARG 54 + HD3 ARG 54 OK 98 100 100 98 2.1-3.4 3.6=71, 2326/3.0=35...(19) HG3 ARG 54 + HD3 ARG 54 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 ARG 54 + HD2 ARG 54 OK 44 100 45 98 2.2-3.6 3.6=71, 2326/3.0=35...(19) HG2 LYS 39 - HD3 ARG 54 far 0 100 0 - 6.9-11.1 HG2 LYS 39 - HD2 ARG 54 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (1.31, 3.03, 43.51 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 51 - HD3 ARG 54 far 0 92 0 - 4.0-7.3 HB2 LEU 51 - HD2 ARG 54 far 0 92 0 - 4.3-6.2 HB2 LEU 52 - HD3 ARG 54 far 0 60 0 - 8.8-10.9 HB2 LEU 52 - HD2 ARG 54 far 0 60 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (1.58, 3.03, 43.51 ppm; 3.13 A): 4 out of 12 assignments used, quality = 1.00: * HG3 ARG 54 + HD3 ARG 54 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 54 + HD2 ARG 54 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 54 + HD3 ARG 54 OK 60 63 100 95 2.1-3.4 3.6=64, 3537/3.0=18...(19) HB3 ARG 54 + HD2 ARG 54 OK 27 63 45 94 2.2-3.6 3.6=64, 3537/3.0=18...(18) HB3 LEU 51 - HD3 ARG 54 far 0 76 0 - 5.3-8.4 HB3 LEU 51 - HD2 ARG 54 far 0 76 0 - 5.6-7.3 HD2 LYS 39 - HD3 ARG 54 far 0 99 0 - 6.2-9.2 HD2 LYS 39 - HD2 ARG 54 far 0 99 0 - 6.3-10.3 HG2 LYS 39 - HD3 ARG 54 far 0 63 0 - 6.9-11.1 HD3 LYS 39 - HD3 ARG 54 far 0 99 0 - 7.4-10.4 HG2 LYS 39 - HD2 ARG 54 far 0 63 0 - 7.7-9.8 HD3 LYS 39 - HD2 ARG 54 far 0 99 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. 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; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + HA TYR 55 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 55 + HA TYR 55 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (2.94, 4.90, 55.12 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 55 + HA TYR 55 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 PHE 35 - HA TYR 55 far 0 60 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (7.69, 2.80, 40.22 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 55 + HB2 TYR 55 OK 100 100 100 100 2.6-2.7 3.8=100 H GLN 61 - HB2 TYR 55 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2362 from cnoeabs.peaks (4.90, 2.80, 40.22 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + HB2 TYR 55 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 55 + HB2 TYR 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 35 - HB2 TYR 55 far 0 60 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (7.69, 2.94, 40.22 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 55 + HB3 TYR 55 OK 100 100 100 100 3.7-3.8 3.8=100 H GLN 61 - HB3 TYR 55 far 0 99 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (2.80, 2.94, 40.22 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 55 + HB3 TYR 55 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QE TYR 55 + HB3 TYR 55 OK 100 100 100 100 4.4-4.4 4.4=100 HE22 GLN 61 - HB3 TYR 55 far 0 92 0 - 6.0-7.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (7.69, 7.34, 134.10 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + QD TYR 55 OK 100 100 100 100 2.4-2.8 4.4=100 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (4.90, 7.34, 134.10 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 55 + QD TYR 55 OK 100 100 100 100 3.0-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (2.80, 7.34, 134.10 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 55 + QD TYR 55 OK 100 100 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (2.94, 7.34, 134.10 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.4 2.5=100 HB3 PHE 35 + QD TYR 55 OK 60 60 100 100 4.5-5.0 2.6/4629=86, 4.5/4628=61...(11) HE3 LYS 13 - QD TYR 55 far 0 65 0 - 9.1-26.1 HE2 LYS 13 - QD TYR 55 far 0 63 0 - 9.5-25.5 HE3 LYS 32 - QD TYR 55 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (6.81, 7.34, 134.10 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 61 - QD TYR 55 far 0 92 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HA PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.6-3.6 3.6=100 * HA PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 2 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 - HD3 PRO 56 far 0 100 0 - 3.9-3.9 ! HB2 PRO 56 - HD2 PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. Peak 2381 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.10 A): 3 out of 5 assignments used, quality = 1.00: HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 ! HB3 PRO 56 - HD2 PRO 56 far 0 100 0 - 3.9-3.9 HB3 MET 11 - HD2 PRO 56 far 0 71 0 - 9.6-33.3 Violated in 0 structures by 0.00 A. Peak 2382 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.10 A): 3 out of 4 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 3.0=100 HB3 PRO 56 - HD2 PRO 56 far 0 99 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 2 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 - HD3 PRO 56 far 0 100 0 - 3.9-3.9 HB2 PRO 56 - HD2 PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 56 + HD2 PRO 56 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 2 out of 4 assignments used, quality = 1.00: HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 ! HB2 PRO 56 - HD3 PRO 56 far 0 100 0 - 3.9-3.9 HB2 PRO 56 - HD2 PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (2.03, 3.70, 50.06 ppm; 3.10 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 2.3=100 HB3 PRO 56 - HD2 PRO 56 far 0 100 0 - 3.9-3.9 HB3 MET 11 - HD2 PRO 56 far 0 71 0 - 9.6-33.3 Violated in 0 structures by 0.00 A. Peak 2389 from cnoeabs.peaks (2.04, 3.70, 50.06 ppm; 3.10 A): 3 out of 4 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 56 + HD3 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 99 99 100 100 3.0-3.0 3.0=100 HB3 PRO 56 - HD2 PRO 56 far 0 99 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2390 from cnoeabs.peaks (2.09, 3.70, 50.06 ppm; 3.06 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 56 + HD3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 56 - HD3 PRO 56 far 0 100 0 - 3.9-3.9 HB2 PRO 56 - HD2 PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 HG3 PRO 56 - HA PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (2.03, 4.67, 61.99 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 - HA PRO 56 far 0 99 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (2.04, 4.67, 61.99 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.99: HB3 PRO 56 + HA PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 ! HG2 PRO 56 - HA PRO 56 far 0 100 0 - 3.9-3.9 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (2.09, 4.67, 61.99 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: HB2 PRO 56 + HA PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 ! HG3 PRO 56 - HA PRO 56 far 0 100 0 - 4.0-4.0 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (4.67, 2.09, 29.60 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 PRO 56 + HB2 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HB3 MET 11 - HB2 PRO 56 far 0 71 0 - 9.8-34.5 Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (2.04, 2.09, 29.60 ppm; 2.48 A): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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; 3.93 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 * HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (3.70, 2.09, 29.60 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB2 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 100 100 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (4.67, 2.03, 29.60 ppm; 6.21 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (2.09, 2.03, 29.60 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 36 - HB3 GLU 25 far 0 52 0 - 8.6-12.9 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 8.7-12.8 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.3-13.4 HG3 PRO 36 - HB2 GLU 25 far 0 54 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (2.03, 2.03, 29.60 ppm; diagonal): 3 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): 3 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 6 assignments used, quality = 1.00: * HG3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 36 - HB3 GLU 25 far 0 54 0 - 8.6-12.9 HG2 PRO 36 - HB3 GLU 25 far 0 54 0 - 8.7-12.8 HG2 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.3-13.4 HG3 PRO 36 - HB2 GLU 25 far 0 56 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (3.70, 2.03, 29.60 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 * HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (3.70, 2.03, 29.60 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 100 100 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (4.67, 2.04, 27.30 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.9-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (2.09, 2.04, 27.30 ppm; 2.42 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (3.70, 2.04, 27.30 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 2420 from cnoeabs.peaks (3.70, 2.04, 27.30 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + HG2 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HD3 PRO 56 + HG2 PRO 56 OK 100 100 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 2421 from cnoeabs.peaks (4.67, 2.09, 27.30 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HG3 PRO 56 OK 100 100 100 100 4.0-4.0 3.8=100 HA ASN 42 - HG2 PRO 36 far 0 72 0 - 8.9-9.1 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HB3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 56 + HG3 PRO 56 OK 99 99 100 100 1.8-1.8 1.8=100 HB3 GLU 19 - HG3 PRO 36 far 0 72 0 - 5.7-18.9 HB3 GLU 19 - HG2 PRO 36 far 0 72 0 - 7.3-19.7 HB3 GLU 25 - HG3 PRO 36 far 0 49 0 - 8.6-12.9 HB3 GLU 25 - HG2 PRO 36 far 0 50 0 - 8.7-12.8 HB3 MET 11 - HG3 PRO 56 far 0 71 0 - 8.8-32.9 HB2 GLU 25 - HG2 PRO 36 far 0 51 0 - 9.3-13.4 HB2 GLU 25 - HG3 PRO 36 far 0 51 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (2.04, 2.09, 27.30 ppm; 2.41 A): 2 out of 8 assignments used, quality = 1.00: * HG2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PRO 56 + HG3 PRO 56 OK 99 99 100 100 2.3-2.3 2.3=100 HB3 GLU 19 - HG3 PRO 36 far 0 74 0 - 5.7-18.9 HB3 GLU 19 - HG2 PRO 36 far 0 75 0 - 7.3-19.7 HB3 GLU 25 - HG3 PRO 36 far 0 60 0 - 8.6-12.9 HB3 GLU 25 - HG2 PRO 36 far 0 60 0 - 8.7-12.8 HB2 GLU 25 - HG2 PRO 36 far 0 62 0 - 9.3-13.4 HB2 GLU 25 - HG3 PRO 36 far 0 61 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 * HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 2427 from cnoeabs.peaks (3.70, 2.09, 27.30 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 100 100 100 100 2.7-2.7 2.3=100 Violated in 0 structures by 0.00 A. 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; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + HA LEU 57 OK 100 100 100 100 2.4-2.4 3.0=100 QB ALA 63 - HA LEU 57 far 0 87 0 - 8.2-9.0 HG12 ILE 33 - HA LEU 57 far 0 73 0 - 8.6-9.2 HB3 LEU 52 - HA LEU 57 far 0 100 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 2435 from cnoeabs.peaks (8.15, 1.77, 44.00 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.5-2.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (4.76, 1.77, 44.00 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.0-3.0 3.0=100 HB THR 58 - HB2 LEU 57 far 0 100 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. 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): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + HB2 LEU 57 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 52 - HB2 LEU 57 far 0 100 0 - 5.9-7.4 QB ALA 63 - HB2 LEU 57 far 0 87 0 - 7.1-7.7 HG12 ILE 33 - HB2 LEU 57 far 0 73 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (1.95, 1.77, 44.00 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 LEU 64 - HB2 LEU 57 far 0 89 0 - 7.4-8.3 HB2 MET 31 - HB2 LEU 57 far 0 85 0 - 8.3-9.8 HB3 ARG 66 - HB2 LEU 57 far 0 95 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (0.71, 1.77, 44.00 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 ILE 33 - HB2 LEU 57 far 0 100 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (1.00, 1.77, 44.00 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.0-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 2442 from cnoeabs.peaks (8.15, 1.47, 44.00 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HB3 LEU 57 OK 100 100 100 100 3.6-3.7 3.8=100 Violated in 0 structures by 0.00 A. Peak 2443 from cnoeabs.peaks (4.76, 1.47, 44.00 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.4-2.4 3.0=100 HB THR 58 - HB3 LEU 57 far 0 100 0 - 5.7-6.3 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (1.77, 1.47, 44.00 ppm; 3.31 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 62 - HB3 LEU 57 far 4 83 5 - 3.6-5.1 HG2 PRO 34 - HB3 LEU 57 far 0 99 0 - 6.0-7.1 HB2 LYS 32 - HB3 LEU 57 far 0 99 0 - 7.2-8.1 HB2 PRO 34 - HB3 LEU 57 far 0 95 0 - 8.1-9.1 HB ILE 33 - HB3 LEU 57 far 0 100 0 - 8.3-8.9 HB3 LYS 32 - HB3 LEU 57 far 0 99 0 - 8.3-9.3 HB2 ARG 54 - HB3 LEU 57 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. 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; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 64 - HB3 LEU 57 far 0 89 0 - 6.3-7.0 HB2 MET 31 - HB3 LEU 57 far 0 85 0 - 7.0-8.2 HB3 ARG 66 - HB3 LEU 57 far 0 95 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (0.71, 1.47, 44.00 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.2-2.4 3.1=100 QD1 ILE 33 - HB3 LEU 57 far 5 100 5 - 4.4-5.1 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (1.00, 1.47, 44.00 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.3-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (8.15, 1.95, 26.44 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HG LEU 57 OK 100 100 100 100 2.2-2.6 692=100, 693/2.1=74...(7) Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (4.76, 1.95, 26.44 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + HG LEU 57 OK 100 100 100 100 2.9-3.2 3.7=100 HB THR 58 - HG LEU 57 far 0 100 0 - 8.2-8.5 Violated in 0 structures by 0.00 A. Peak 2451 from cnoeabs.peaks (1.77, 1.95, 26.44 ppm; 3.91 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 PRO 34 + HG LEU 57 OK 68 99 70 98 4.0-5.0 4860/2.1=60, ~5352=41...(10) HB2 LEU 62 - HG LEU 57 far 0 83 0 - 5.7-7.0 HB2 PRO 34 - HG LEU 57 far 0 95 0 - 6.3-7.0 HB2 ARG 54 - HG LEU 57 far 0 100 0 - 6.4-7.9 HB2 LYS 32 - HG LEU 57 far 0 99 0 - 8.2-8.8 HB ILE 33 - HG LEU 57 far 0 100 0 - 8.3-8.8 HB3 LYS 32 - HG LEU 57 far 0 99 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (1.47, 1.95, 26.44 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + HG LEU 57 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 52 - HG LEU 57 far 0 100 0 - 6.5-7.2 HG12 ILE 33 - HG LEU 57 far 0 73 0 - 8.5-9.1 QB ALA 63 - HG LEU 57 far 0 87 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 33 - HG LEU 57 far 0 100 0 - 5.3-6.0 Violated in 0 structures by 0.00 A. Peak 2455 from cnoeabs.peaks (1.00, 1.95, 26.44 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + HG LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2456 from cnoeabs.peaks (8.15, 0.71, 23.03 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + QD2 LEU 57 OK 100 100 100 100 3.6-3.7 693=100, 692/2.1=97...(10) Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (4.76, 0.71, 23.03 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.98: * HA LEU 57 + QD2 LEU 57 OK 98 100 100 98 2.0-2.6 4.0=59, 3.0/693=47...(11) HB THR 58 - QD2 LEU 57 far 0 100 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (1.77, 0.71, 23.03 ppm; 3.66 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 57 + QD2 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 HG2 PRO 34 + QD2 LEU 57 OK 99 99 100 99 2.4-3.4 2.3/4603=55, 1.8/5352=52...(15) HB2 PRO 34 - QD2 LEU 57 far 0 95 0 - 4.2-5.1 HB2 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.0-5.4 HB ILE 33 - QD2 LEU 57 far 0 100 0 - 5.2-5.6 HB2 LEU 62 - QD2 LEU 57 far 0 83 0 - 5.2-6.2 HB3 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.5-6.2 HB2 ARG 54 - QD2 LEU 57 far 0 100 0 - 6.6-7.8 HB2 LYS 13 - QD2 LEU 57 far 0 76 0 - 7.5-23.3 HB3 ARG 17 - QD2 LEU 57 far 0 76 0 - 8.5-18.0 HB3 LYS 39 - QD2 LEU 57 far 0 90 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (1.47, 0.71, 23.03 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.2-2.4 3.1=100 HG12 ILE 33 - QD2 LEU 57 far 0 73 0 - 5.2-5.7 HB3 LEU 52 - QD2 LEU 57 far 0 100 0 - 7.1-7.7 QB ALA 63 - QD2 LEU 57 far 0 87 0 - 7.1-7.5 QB ALA 30 - QD2 LEU 57 far 0 76 0 - 8.2-8.7 HG3 LYS 13 - QD2 LEU 57 far 0 96 0 - 8.6-22.5 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (1.95, 0.71, 23.03 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 MET 31 - QD2 LEU 57 far 0 85 0 - 5.4-6.3 HB2 LEU 64 - QD2 LEU 57 far 0 89 0 - 5.8-6.6 HB3 ARG 66 - QD2 LEU 57 far 0 95 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. 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; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 57 + QD2 LEU 57 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (8.15, 1.00, 27.02 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.1-3.8 694=100, 692/2.1=99...(7) Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (4.76, 1.00, 27.02 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.9-4.0 4.0=100 HB THR 58 - QD1 LEU 57 far 0 100 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.77, 1.00, 27.02 ppm; 3.63 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.0-2.4 3.1=100 HG2 PRO 34 - QD1 LEU 57 far 5 99 5 - 3.9-4.5 HB2 LEU 62 - QD1 LEU 57 far 0 83 0 - 4.1-4.9 HB2 ARG 54 - QD1 LEU 57 far 0 100 0 - 5.2-6.9 HB2 PRO 34 - QD1 LEU 57 far 0 95 0 - 5.8-6.5 HB ILE 33 - QD1 LEU 57 far 0 100 0 - 6.0-6.4 HB2 LYS 32 - QD1 LEU 57 far 0 99 0 - 7.2-7.6 HB3 LYS 32 - QD1 LEU 57 far 0 99 0 - 7.9-8.6 HB3 LYS 39 - QD1 LEU 57 far 0 90 0 - 8.3-9.8 HB2 LYS 13 - QD1 LEU 57 far 0 76 0 - 9.5-25.0 HB3 ARG 17 - QD1 LEU 57 far 0 76 0 - 10.0-19.4 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.47, 1.00, 27.02 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.3-2.7 3.1=100 HB3 LEU 52 - QD1 LEU 57 far 0 100 0 - 4.5-5.3 HG12 ILE 33 - QD1 LEU 57 far 0 73 0 - 6.1-6.6 QB ALA 63 - QD1 LEU 57 far 0 87 0 - 6.4-6.7 QB ALA 30 - QD1 LEU 57 far 0 76 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (1.95, 1.00, 27.02 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 64 - QD1 LEU 57 far 0 89 0 - 5.7-6.2 HB2 MET 31 - QD1 LEU 57 far 0 85 0 - 6.3-7.1 HB3 ARG 66 - QD1 LEU 57 far 0 95 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 34 100 40 86 3.4-3.9 4221=43, 3.2/4614=24...(11) Violated in 0 structures by 0.00 A. 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; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + HA THR 58 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 58 + HA THR 58 OK 100 100 100 100 2.5-2.6 3.0=100 HA LEU 57 - HA THR 58 far 0 100 0 - 4.3-4.4 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (1.31, 4.43, 60.59 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 58 + HA THR 58 OK 100 100 100 100 2.0-2.3 3.2=98, 2478/3.0=50...(5) HB2 LEU 52 - HA THR 58 far 0 76 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (4.43, 4.76, 70.49 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 58 + HB THR 58 OK 100 100 100 100 2.5-2.6 3.0=100 HA MET 31 - HB THR 58 far 0 96 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QG2 THR 58 + HB THR 58 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 32 - HB THR 58 far 0 90 0 - 9.0-12.2 HG2 LYS 32 - HB THR 58 far 0 60 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2478 from cnoeabs.peaks (9.06, 1.31, 21.61 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + QG2 THR 58 OK 100 100 100 100 2.5-3.1 698=99, 3.0/2473=52...(8) Violated in 0 structures by 0.00 A. Peak 2479 from cnoeabs.peaks (4.43, 1.31, 21.61 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 58 + QG2 THR 58 OK 100 100 100 100 2.0-2.3 3.2=100 HA MET 31 - QG2 THR 58 far 0 96 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 HA LEU 57 - QG2 THR 58 far 0 100 0 - 3.7-4.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: HB3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.4-2.9 3.0=100 * HB2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 31 - HA GLU 59 far 0 81 0 - 8.9-10.0 HB2 PRO 56 - HA GLU 59 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (2.09, 4.04, 60.18 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.4-2.9 3.0=100 HB2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 MET 31 - HA GLU 59 far 0 81 0 - 8.9-10.0 HB2 PRO 56 - HA GLU 59 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (2.40, 4.04, 60.18 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + HA GLU 59 OK 100 100 100 100 2.2-3.7 2501=94, 1.8/2507=75...(11) HB VAL 65 - HA GLU 59 far 0 97 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (2.32, 4.04, 60.18 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 59 + HA GLU 59 OK 100 100 100 100 2.1-3.7 2507=100, 1.8/2486=78...(10) Violated in 0 structures by 0.00 A. 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 + HB2 GLU 59 OK 100 100 100 100 2.1-2.3 701=100, 703/3.0=54...(10) H GLU 59 + HB3 GLU 59 OK 100 100 100 100 3.3-3.6 701/1.8=90, 4.0=80...(9) Violated in 0 structures by 0.00 A. Peak 2489 from cnoeabs.peaks (4.04, 2.09, 28.98 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.4-2.9 3.0=100 * HA GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 63 - HB3 GLU 59 far 0 89 0 - 6.7-7.2 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (2.32, 2.09, 28.98 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 + HB2 GLU 59 OK 100 100 100 100 2.1-2.3 701=100, 703/3.0=54...(10) * H GLU 59 + HB3 GLU 59 OK 100 100 100 100 3.3-3.6 701/1.8=90, 4.0=80...(9) Violated in 0 structures by 0.00 A. Peak 2495 from cnoeabs.peaks (4.04, 2.09, 28.98 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.4-2.9 3.0=100 HA GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.5-3.0 3.0=100 HA ALA 63 - HB3 GLU 59 far 0 89 0 - 6.7-7.2 HA ALA 63 - HB2 GLU 59 far 0 89 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HG2 GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2499 from cnoeabs.peaks (2.32, 2.09, 28.98 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 59 + HB3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 59 + HB2 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (9.11, 2.40, 36.01 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.5-3.9 703=100, 701/3.0=85...(8) Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (4.04, 2.40, 36.01 ppm; 4.07 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.2-3.7 2486=100, 2507/1.8=77...(11) HA PHE 48 - HG2 GLU 50 far 0 51 0 - 6.5-7.9 HA ALA 63 - HG2 GLU 59 far 0 89 0 - 7.0-8.6 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PRO 56 - HG2 GLU 59 far 0 100 0 - 9.1-11.9 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 9.3-10.4 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (2.09, 2.40, 36.01 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.2-3.0 3.0=100 * HB3 GLU 59 + HG2 GLU 59 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PRO 56 - HG2 GLU 59 far 0 100 0 - 9.1-11.9 HB3 PRO 44 - HG2 GLU 50 far 0 63 0 - 9.3-10.4 HB3 MET 31 - HG2 GLU 59 far 0 81 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2504 from cnoeabs.peaks (2.40, 2.40, 36.01 ppm; diagonal): 2 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 1 assignment used, quality = 1.00: * HG3 GLU 59 + HG2 GLU 59 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (9.11, 2.32, 36.01 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.7-4.2 704=100, 703/1.8=88...(8) Violated in 0 structures by 0.00 A. Peak 2507 from cnoeabs.peaks (4.04, 2.32, 36.01 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.1-3.7 2487=97, 2486/1.8=77...(10) HA ARG 26 - HG3 GLU 25 far 5 49 10 - 3.2-6.6 HA ALA 63 - HG3 GLU 59 far 0 89 0 - 6.4-8.7 Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (2.09, 2.32, 36.01 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 9.0-11.9 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 9.0-11.7 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (2.09, 2.32, 36.01 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 PRO 36 - HG3 GLU 25 far 0 76 0 - 9.0-11.9 HG2 PRO 36 - HG3 GLU 25 far 0 77 0 - 9.0-11.7 HB3 MET 31 - HG3 GLU 59 far 0 81 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (2.40, 2.32, 36.01 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 59 + HG3 GLU 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 65 - HG3 GLU 59 far 0 97 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. 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; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.48 A): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2515 from cnoeabs.peaks (3.84, 4.28, 61.17 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HA SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 60 + HA SER 60 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (8.51, 3.84, 62.16 ppm; 4.48 A): 2 out of 2 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 H SER 60 + HB3 SER 60 OK 100 100 100 100 2.6-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (4.28, 3.84, 62.16 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 * HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 64 - HB3 SER 60 far 0 87 0 - 7.8-9.1 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. 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; 4.48 A): 2 out of 2 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 100 100 2.2-3.6 3.8=100 * H SER 60 + HB3 SER 60 OK 100 100 100 100 2.6-3.6 3.8=100 Violated in 0 structures by 0.00 A. Peak 2521 from cnoeabs.peaks (4.28, 3.84, 62.16 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 60 + HB3 SER 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 60 + HB2 SER 60 OK 100 100 100 100 2.5-3.0 3.0=100 HA LEU 64 - HB3 SER 60 far 0 87 0 - 7.8-9.1 HA LEU 64 - HB2 SER 60 far 0 87 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H GLN 61 + HA GLN 61 OK 100 100 100 100 2.8-2.9 3.0=100 H MET 31 - HA GLN 61 far 0 71 0 - 6.1-6.9 H TYR 55 - HA GLU 50 far 0 94 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. 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; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 MET 31 - HA GLN 61 far 0 100 0 - 4.8-5.5 HB3 ASP 46 - HA GLU 50 far 0 74 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (1.66, 3.96, 59.26 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 ARG 27 - HA GLN 61 far 0 65 0 - 7.7-11.0 HG2 ARG 27 - HA GLN 61 far 0 63 0 - 7.9-11.6 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (2.60, 3.96, 59.26 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 100 100 2.7-3.1 4.0=100 HG2 MET 31 + HA GLN 61 OK 69 73 95 98 3.1-4.8 3.3/5079=61...(13) HB3 ASP 47 - HA GLU 50 far 0 91 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 2529 from cnoeabs.peaks (2.16, 3.96, 59.26 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.99: * HG3 GLN 61 + HA GLN 61 OK 99 100 100 99 2.5-2.7 4.0=75, 714/3.0=50...(10) Violated in 0 structures by 0.00 A. Peak 2532 from cnoeabs.peaks (7.68, 2.53, 30.35 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.3-2.6 4.0=100 H MET 31 - HB2 GLN 61 far 0 71 0 - 7.9-8.7 H TYR 55 - HB2 GLN 61 far 0 99 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 2533 from cnoeabs.peaks (3.96, 2.53, 30.35 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 32 - HB2 GLN 61 far 0 96 0 - 8.3-9.0 HA ALA 28 - HB2 GLN 61 far 0 99 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 13 - HB2 GLN 61 far 0 99 0 - 9.7-33.0 Violated in 0 structures by 0.00 A. Peak 2536 from cnoeabs.peaks (2.60, 2.53, 30.35 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 100 100 2.5-2.6 3.0=100 HG2 MET 31 - HB2 GLN 61 far 0 73 0 - 5.9-7.4 Violated in 0 structures by 0.00 A. Peak 2537 from cnoeabs.peaks (2.16, 2.53, 30.35 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 4.0=100 H MET 31 - HB3 GLN 61 far 0 71 0 - 6.4-7.5 H TYR 55 - HB3 GLN 61 far 0 99 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2541 from cnoeabs.peaks (3.96, 1.66, 30.35 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.4-2.6 3.0=100 HA ALA 28 - HB3 GLN 61 far 0 99 0 - 6.6-7.5 HA LYS 32 - HB3 GLN 61 far 0 96 0 - 7.0-7.9 HA THR 37 - HB3 GLN 61 far 0 60 0 - 9.6-10.5 HA ARG 66 - HB3 GLN 61 far 0 96 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (2.53, 1.66, 30.35 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 31 - HB3 GLN 61 far 0 100 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 MET 31 - HB3 GLN 61 far 0 73 0 - 4.6-6.3 Violated in 0 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (2.16, 1.66, 30.35 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 Violated in 0 structures by 0.00 A. Peak 2548 from cnoeabs.peaks (7.68, 2.60, 34.98 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.2-2.7 713=100, 714/1.8=86...(12) H MET 31 - HG2 GLN 61 far 0 71 0 - 6.9-7.5 Violated in 0 structures by 0.00 A. Peak 2549 from cnoeabs.peaks (3.96, 2.60, 34.98 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.7-3.1 4.0=100 HA LYS 32 - HG2 GLN 61 far 0 96 0 - 7.6-8.3 HA ALA 28 - HG2 GLN 61 far 0 99 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (2.53, 2.60, 34.98 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 100 100 2.5-2.6 3.0=100 HG3 MET 31 - HG2 GLN 61 far 0 100 0 - 5.6-6.9 Violated in 0 structures by 0.00 A. Peak 2551 from cnoeabs.peaks (1.66, 2.60, 34.98 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 13 - HG2 GLN 61 far 0 99 0 - 9.3-32.9 HB3 LYS 13 - HG2 GLN 61 far 0 78 0 - 9.8-31.9 Violated in 0 structures by 0.00 A. 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; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HG2 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2554 from cnoeabs.peaks (7.46, 2.60, 34.98 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (6.83, 2.60, 34.98 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2556 from cnoeabs.peaks (7.68, 2.16, 34.98 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 61 + HG3 GLN 61 OK 100 100 100 100 3.4-3.9 714=100, 713/1.8=98...(11) H MET 31 - HG3 GLN 61 far 0 71 0 - 5.3-5.9 Violated in 0 structures by 0.00 A. Peak 2557 from cnoeabs.peaks (3.96, 2.16, 34.98 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.5-2.7 4.0=100 HA LYS 32 - HG3 GLN 61 far 0 96 0 - 6.1-6.8 HA ALA 28 - HG3 GLN 61 far 0 99 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (2.53, 2.16, 34.98 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 MET 31 - HG3 GLN 61 far 0 100 0 - 4.7-5.5 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (1.66, 2.16, 34.98 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.3-2.4 3.0=100 HD3 LYS 13 - HG3 GLN 61 far 0 99 0 - 8.2-31.6 HG3 ARG 27 - HG3 GLN 61 far 0 65 0 - 8.8-11.7 HG2 ARG 27 - HG3 GLN 61 far 0 63 0 - 8.9-11.9 HD2 LYS 13 - HG3 GLN 61 far 0 99 0 - 9.6-30.7 Violated in 0 structures by 0.00 A. Peak 2560 from cnoeabs.peaks (2.60, 2.16, 34.98 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 31 - HG3 GLN 61 far 0 73 0 - 4.0-5.0 Violated in 0 structures by 0.00 A. 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; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (6.83, 2.16, 34.98 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 2564 from cnoeabs.peaks (8.82, 3.92, 57.93 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LEU 57 - HA LEU 62 far 12 83 15 - 3.1-4.1 HG2 PRO 34 - HA LEU 62 far 0 95 0 - 8.3-9.1 HB ILE 33 - HA LEU 62 far 0 78 0 - 9.0-9.7 HB2 ARG 54 - HA LEU 62 far 0 85 0 - 9.6-11.9 HB2 LYS 32 - HA LEU 62 far 0 65 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (1.59, 3.92, 57.93 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 100 100 2.6-2.9 3.0=100 HG LEU 62 + HA LEU 62 OK 78 78 100 100 2.1-2.3 2.1/2600=66, 2.1/2593=62...(25) HB3 LEU 51 - HA LEU 62 far 0 97 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (1.57, 3.92, 57.93 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 100 100 2.1-2.3 2.1/2600=65, 2.1/2593=61...(27) HB3 LEU 62 + HA LEU 62 OK 78 78 100 100 2.6-2.9 3.0=100 HG LEU 64 - HA LEU 62 far 0 68 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2569 from cnoeabs.peaks (0.93, 3.92, 57.93 ppm; 3.65 A increased from 3.44 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 62 + HA LEU 62 OK 100 100 100 100 3.2-3.5 2593=100, 2.1/2600=74...(26) QG2 ILE 40 - HA LEU 62 far 0 100 0 - 6.6-7.1 QD1 LEU 64 - HA LEU 62 far 0 71 0 - 7.1-7.5 HG12 ILE 68 - HA LEU 62 far 0 98 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (0.87, 3.92, 57.93 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 62 + HA LEU 62 OK 100 100 100 100 3.2-3.4 2600=100, 2.1/2593=75...(22) HG LEU 51 - HA LEU 62 far 0 87 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 2571 from cnoeabs.peaks (8.82, 1.75, 41.88 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.1-2.3 719=100, 2578/1.8=68...(16) Violated in 0 structures by 0.00 A. Peak 2572 from cnoeabs.peaks (3.92, 1.75, 41.88 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.8-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 62 - HB2 LEU 62 far 4 78 5 - 2.8-2.9 Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (1.57, 1.75, 41.88 ppm; 2.57 A): 1 out of 3 assignments used, quality = 0.78: HB3 LEU 62 + HB2 LEU 62 OK 78 78 100 100 1.8-1.8 1.8=100 ! HG LEU 62 - HB2 LEU 62 far 5 100 5 - 2.8-2.9 HG LEU 64 - HB2 LEU 62 far 0 68 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 2576 from cnoeabs.peaks (0.93, 1.75, 41.88 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 100 100 2.7-3.0 3.1=100 QD1 LEU 64 - HB2 LEU 62 far 0 71 0 - 8.5-8.7 QG2 ILE 40 - HB2 LEU 62 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 2577 from cnoeabs.peaks (0.87, 1.75, 41.88 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 100 100 1.9-2.1 3.1=100 HG LEU 51 - HB2 LEU 62 far 0 87 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 2578 from cnoeabs.peaks (8.82, 1.59, 41.88 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 62 + HB3 LEU 62 OK 100 100 100 100 3.2-3.5 719/1.8=88, 4.0=81...(16) H THR 37 - HB3 LEU 29 far 0 96 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 2579 from cnoeabs.peaks (3.92, 1.59, 41.88 ppm; 3.68 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.6-2.9 3.0=100 HA3 GLY 18 - HB3 LEU 29 far 0 98 0 - 4.0-13.5 HA2 GLY 18 - HB3 LEU 29 far 0 98 0 - 4.9-15.2 HA2 GLY 21 - HB3 LEU 29 far 0 60 0 - 7.7-11.9 HA3 GLY 21 - HB3 LEU 29 far 0 62 0 - 7.9-11.3 HA THR 37 - HB3 LEU 29 far 0 93 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2580 from cnoeabs.peaks (1.75, 1.59, 41.88 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 83 - HB3 LEU 86 far 1 29 5 - 2.0-12.5 HB3 LYS 83 - HB2 LEU 86 far 0 28 0 - 3.3-13.8 HB3 ARG 17 - HB3 LEU 29 far 0 98 0 - 4.3-15.9 HB3 LYS 85 - HB3 LEU 86 far 0 37 0 - 4.3-6.9 HB2 LEU 57 - HB3 LEU 62 far 0 83 0 - 4.5-5.1 HB3 LYS 85 - HB2 LEU 86 far 0 35 0 - 4.8-7.4 HB2 ARG 84 - HB2 LEU 86 far 0 41 0 - 4.8-10.2 HB2 ARG 84 - HB3 LEU 86 far 0 43 0 - 5.5-9.5 HB3 ARG 82 - HB2 LEU 86 far 0 43 0 - 5.5-16.8 HB3 ARG 82 - HB3 LEU 86 far 0 45 0 - 6.1-16.0 HB ILE 33 - HB3 LEU 29 far 0 75 0 - 6.5-6.9 HG3 ARG 26 - HB3 LEU 29 far 0 99 0 - 6.5-8.4 HB3 LYS 32 - HB3 LEU 29 far 0 62 0 - 7.4-8.0 HB2 LYS 32 - HB3 LEU 29 far 0 62 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 2581 from cnoeabs.peaks (1.59, 1.59, 41.88 ppm; diagonal): 4 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): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.0-2.2 3.1=100 QG2 ILE 40 - HB3 LEU 62 far 0 100 0 - 7.8-8.5 QG2 VAL 76 - HB3 LEU 86 far 0 57 0 - 8.0-22.5 QD1 LEU 64 - HB3 LEU 62 far 0 71 0 - 8.4-8.8 QD1 LEU 64 - HB3 LEU 29 far 0 68 0 - 8.5-9.0 QG2 VAL 76 - HB2 LEU 86 far 0 54 0 - 9.0-22.8 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (0.87, 1.59, 41.88 ppm; 3.03 A): 4 out of 9 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 100 100 2.8-3.1 3.1=92, 2600/3.0=41...(19) QD1 LEU 29 + HB3 LEU 29 OK 97 97 100 100 2.8-2.9 3.1=92, 1506/1.8=68...(21) QD1 LEU 86 + HB3 LEU 86 OK 51 51 100 99 2.0-3.2 3.1=94, 2.1/3537=31...(23) QD1 LEU 86 + HB2 LEU 86 OK 49 49 100 99 2.0-3.2 3.1=94, ~3537=23...(21) QG1 VAL 90 - HB2 LEU 86 far 0 32 0 - 5.0-14.1 QG1 VAL 90 - HB3 LEU 86 far 0 34 0 - 6.1-13.6 QG2 VAL 90 - HB2 LEU 86 far 0 34 0 - 7.6-14.6 QG2 VAL 90 - HB3 LEU 86 far 0 36 0 - 8.2-13.6 HG LEU 51 - HB3 LEU 62 far 0 87 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 2585 from cnoeabs.peaks (8.82, 1.57, 26.98 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 62 + HG LEU 62 OK 100 100 100 100 3.3-4.0 719/3.0=75, 723/2.1=68...(14) H LEU 62 - HG LEU 64 far 0 66 0 - 7.9-8.1 H THR 37 - HG LEU 64 far 0 62 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 2586 from cnoeabs.peaks (3.92, 1.57, 26.98 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.3 4.3=85, 2600/2.1=85...(27) HA THR 37 - HG LEU 64 far 0 59 0 - 6.6-7.7 HA LEU 62 - HG LEU 64 far 0 66 0 - 6.8-7.4 HA2 GLY 21 - HG3 ARG 23 far 0 22 0 - 7.8-11.0 HA3 GLY 21 - HG3 ARG 23 far 0 23 0 - 8.0-10.6 Violated in 0 structures by 0.00 A. Peak 2587 from cnoeabs.peaks (1.75, 1.57, 26.98 ppm; 2.68 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 97 100 100 97 2.8-2.9 3.0=74, 2601/2.1=29...(15) HB2 LEU 57 + HG LEU 62 OK 67 83 100 81 2.4-2.6 1.8/4983=24, 4982=24...(9) HB2 ARG 54 + HG3 ARG 54 OK 48 71 70 96 2.3-3.0 3.0=75, 3.0/2332=23...(20) HB2 ARG 84 + HG3 ARG 84 OK 25 28 95 94 2.3-3.0 3.0=75, 3379/1.8=18...(29) HB2 ARG 84 - HG2 ARG 84 poor 15 28 55 - 2.5-3.0 HB3 ARG 82 - HG3 ARG 84 far 0 29 0 - 3.5-10.7 HB3 ARG 82 - HG2 ARG 84 far 0 29 0 - 4.3-9.7 HG3 ARG 26 - HG3 ARG 23 far 0 43 0 - 5.0-7.7 HB3 LYS 85 - HG3 ARG 84 far 0 24 0 - 5.2-8.5 HB3 LYS 85 - HG2 ARG 84 far 0 24 0 - 6.2-8.6 HG3 ARG 71 - HG LEU 64 far 0 64 0 - 6.5-9.3 HB ILE 33 - HG LEU 64 far 0 44 0 - 7.3-7.9 HG2 PRO 34 - HG LEU 62 far 0 95 0 - 8.3-9.1 HB2 ARG 54 - HG LEU 62 far 0 85 0 - 8.4-10.5 HG2 PRO 34 - HG3 ARG 54 far 0 81 0 - 8.4-9.9 HB2 LEU 62 - HG LEU 64 far 0 66 0 - 9.0-9.4 HG3 ARG 71 - HG3 ARG 23 far 0 43 0 - 9.1-13.8 HB2 LEU 43 - HG3 ARG 54 far 0 65 0 - 9.5-13.2 HB2 LEU 57 - HG3 ARG 54 far 0 69 0 - 9.5-12.1 HB2 LEU 57 - HG LEU 64 far 0 47 0 - 9.6-10.5 HG3 ARG 26 - HG LEU 64 far 0 65 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2588 from cnoeabs.peaks (1.59, 1.57, 26.98 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: 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): 6 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; 3.28 A): 3 out of 17 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 64 + HG LEU 64 OK 39 39 100 100 2.1-2.1 2.1=100 HG12 ILE 68 + HG LEU 64 OK 31 62 60 84 3.4-3.9 2.1/4759=51, ~6102=29...(6) QG2 ILE 40 - HG LEU 64 far 0 66 0 - 5.6-6.3 QG2 VAL 76 - HG2 ARG 84 far 0 37 0 - 6.4-15.4 QD1 LEU 64 - HG3 ARG 23 far 0 25 0 - 7.2-11.3 QG2 ILE 40 - HG LEU 62 far 0 100 0 - 7.4-8.3 QG2 VAL 41 - HG LEU 64 far 0 64 0 - 7.4-8.3 QG2 VAL 76 - HG3 ARG 84 far 0 37 0 - 7.5-15.4 QD2 LEU 43 - HG3 ARG 54 far 0 78 0 - 7.5-10.2 HG12 ILE 68 - HG3 ARG 23 far 0 41 0 - 7.6-11.9 QD2 LEU 62 - HG LEU 64 far 0 66 0 - 8.3-9.5 QD2 LEU 62 - HG3 ARG 54 far 0 90 0 - 8.4-10.9 QD1 LEU 64 - HG LEU 62 far 0 71 0 - 8.9-9.3 QG1 VAL 76 - HG2 ARG 84 far 0 37 0 - 9.0-17.2 QG2 VAL 41 - HG3 ARG 23 far 0 43 0 - 9.2-13.1 QG2 ILE 40 - HG3 ARG 54 far 0 90 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2591 from cnoeabs.peaks (0.87, 1.57, 26.98 ppm; 3.48 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HG3 ARG 84 far 0 34 0 - 3.8-10.4 QD1 LEU 86 - HG2 ARG 84 far 0 34 0 - 4.8-10.0 HG LEU 51 - HG3 ARG 54 far 0 73 0 - 5.2-7.4 HG LEU 51 - HG LEU 62 far 0 87 0 - 6.6-8.0 QD1 LEU 29 - HG3 ARG 23 far 0 42 0 - 8.0-10.6 QD1 LEU 62 - HG3 ARG 54 far 0 90 0 - 8.1-11.2 QD1 LEU 62 - HG LEU 64 far 0 66 0 - 8.7-9.3 QD1 LEU 29 - HG LEU 64 far 0 64 0 - 9.5-10.2 QG1 VAL 90 - HG3 ARG 84 far 0 22 0 - 9.6-19.7 Violated in 0 structures by 0.00 A. Peak 2592 from cnoeabs.peaks (8.82, 0.93, 24.73 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + QD2 LEU 62 OK 100 100 100 100 4.2-4.5 722=100, 719/3.1=88...(17) Violated in 0 structures by 0.00 A. Peak 2593 from cnoeabs.peaks (3.92, 0.93, 24.73 ppm; 3.58 A increased from 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + QD2 LEU 62 OK 100 100 100 100 3.2-3.5 2569=94, 2600/2.1=72...(26) Violated in 0 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (1.75, 0.93, 24.73 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.7-3.0 3.1=100 HB2 LEU 57 + QD2 LEU 62 OK 76 83 95 97 3.5-4.1 2333/2.1=62, 1.8/4599=40...(11) HB2 ARG 54 - QD2 LEU 62 far 0 85 0 - 7.5-9.0 HG2 PRO 34 - QD2 LEU 62 far 0 95 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.59, 0.93, 24.73 ppm; 3.22 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.0-2.2 3.1=100 HG LEU 62 + QD2 LEU 62 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 51 - QD2 LEU 62 far 0 97 0 - 6.5-7.7 HG3 ARG 54 - QD2 LEU 62 far 0 96 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (1.57, 0.93, 24.73 ppm; 3.10 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 62 + QD2 LEU 62 OK 78 78 100 99 2.0-2.2 3.1=99 HG LEU 64 - QD2 LEU 62 far 0 68 0 - 8.3-9.5 HG3 ARG 54 - QD2 LEU 62 far 0 97 0 - 8.4-10.9 HB3 ARG 54 - QD2 LEU 62 far 0 87 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 100 100 2.0-2.1 2.1=100 HG LEU 51 - QD2 LEU 62 far 0 87 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 2599 from cnoeabs.peaks (8.82, 0.87, 24.45 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.2-3.5 723=100, 719/3.1=81...(16) H THR 37 - QD1 LEU 29 far 0 96 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (3.92, 0.87, 24.45 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 100 100 3.2-3.4 2570=72, 2593/2.1=62...(22) HA3 GLY 18 - QD1 LEU 29 far 10 98 10 - 2.9-12.5 HA2 GLY 18 - QD1 LEU 29 far 5 99 5 - 2.5-13.8 HA2 GLY 21 - QD1 LEU 29 far 0 61 0 - 5.6-9.4 HA3 GLY 21 - QD1 LEU 29 far 0 63 0 - 6.2-9.8 HA THR 37 - QD1 LEU 29 far 0 94 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (1.75, 0.87, 24.45 ppm; 3.00 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 1.9-2.1 3.1=90, 3.0/2600=40...(21) HB2 LEU 57 + QD1 LEU 62 OK 73 83 100 88 1.9-2.0 2333/2.1=50, ~4983=24...(11) HG3 ARG 26 - QD1 LEU 29 far 10 99 10 - 3.2-5.1 HB3 LYS 83 - QD1 LEU 86 far 0 48 0 - 3.3-11.6 HB3 ARG 82 - QD1 LEU 86 far 0 71 0 - 3.5-14.2 HB3 ARG 17 - QD1 LEU 29 far 0 99 0 - 4.1-14.7 HB2 ARG 84 - QD1 LEU 86 far 0 69 0 - 4.6-9.3 HB3 LYS 85 - QD1 LEU 86 far 0 60 0 - 5.6-7.6 HG2 PRO 34 - QD1 LEU 62 far 0 95 0 - 7.2-8.2 HB2 ARG 54 - QD1 LEU 62 far 0 85 0 - 7.3-9.5 HB ILE 33 - QD1 LEU 29 far 0 76 0 - 7.6-8.1 HB3 LYS 32 - QD1 LEU 29 far 0 63 0 - 7.8-8.3 HB2 LYS 32 - QD1 LEU 29 far 0 63 0 - 8.1-8.7 HB2 LYS 32 - QD1 LEU 62 far 0 65 0 - 8.2-9.8 HB3 LYS 32 - QD1 LEU 62 far 0 65 0 - 9.3-10.9 HB ILE 33 - QD1 LEU 62 far 0 78 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2602 from cnoeabs.peaks (1.59, 0.87, 24.45 ppm; 2.91 A): 6 out of 16 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 99 100 100 99 2.8-3.1 3.1=82, 3.0/2600=38...(17) HB3 LEU 29 + QD1 LEU 29 OK 97 97 100 100 2.8-2.9 3.1=82, 1.8/1506=63...(18) HG LEU 86 + QD1 LEU 86 OK 85 85 100 100 2.1-2.1 2.1=100 HG LEU 62 + QD1 LEU 62 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 86 + QD1 LEU 86 OK 56 58 100 97 2.0-3.2 3.1=84, 3531/2.1=20...(20) HB2 LEU 86 + QD1 LEU 86 OK 54 55 100 98 2.0-3.2 3.1=84, ~3537=21...(18) HG3 ARG 84 - QD1 LEU 86 far 0 89 0 - 3.8-10.4 HG2 ARG 84 - QD1 LEU 86 far 0 89 0 - 4.8-10.0 HB3 LEU 51 - QD1 LEU 62 far 0 97 0 - 7.4-8.8 HD3 LYS 32 - QD1 LEU 29 far 0 71 0 - 7.4-9.3 HD2 LYS 32 - QD1 LEU 29 far 0 76 0 - 7.6-9.2 HG3 ARG 54 - QD1 LEU 62 far 0 96 0 - 8.1-11.2 HD2 LYS 32 - QD1 LEU 62 far 0 78 0 - 8.9-11.6 HD3 LYS 73 - QD1 LEU 86 far 0 65 0 - 9.1-24.8 HD3 LYS 32 - QD1 LEU 62 far 0 73 0 - 9.4-12.3 HD2 LYS 73 - QD1 LEU 86 far 0 65 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. Peak 2603 from cnoeabs.peaks (1.57, 0.87, 24.45 ppm; 2.77 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 29 + QD1 LEU 29 OK 91 91 100 99 2.8-2.9 3.1=70, 1.8/1506=57...(18) HB3 LEU 86 + QD1 LEU 86 OK 69 90 80 97 2.0-3.2 3.1=72, 3537/2.1=38...(19) HB3 LEU 62 - QD1 LEU 62 far 12 78 15 - 2.8-3.1 HG3 ARG 84 - QD1 LEU 86 far 0 53 0 - 3.8-10.4 HG2 ARG 84 - QD1 LEU 86 far 0 53 0 - 4.8-10.0 HG3 ARG 23 - QD1 LEU 29 far 0 69 0 - 8.0-10.6 HG3 ARG 54 - QD1 LEU 62 far 0 97 0 - 8.1-11.2 HB3 ARG 54 - QD1 LEU 62 far 0 87 0 - 8.5-10.0 HG LEU 64 - QD1 LEU 62 far 0 68 0 - 8.7-9.3 HG LEU 64 - QD1 LEU 29 far 0 66 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (0.93, 0.87, 24.45 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 76 - QD1 LEU 86 far 0 86 0 - 5.3-19.8 QG1 VAL 76 - QD1 LEU 86 far 0 86 0 - 6.8-20.7 QD1 LEU 64 - QD1 LEU 29 far 0 69 0 - 7.0-7.5 QG2 ILE 40 - QD1 LEU 62 far 0 100 0 - 7.8-8.5 QD1 LEU 64 - QD1 LEU 62 far 0 71 0 - 8.1-8.7 HG12 ILE 68 - QD1 LEU 29 far 0 96 0 - 9.5-10.3 QD2 LEU 43 - QD1 LEU 86 far 0 78 0 - 9.9-29.4 Violated in 0 structures by 0.00 A. 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; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 63 + HA ALA 63 OK 100 100 100 100 2.8-2.8 3.0=100 H ARG 69 - HA ALA 63 far 0 100 0 - 8.1-8.4 H ARG 70 - HA ALA 63 far 0 71 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QB ALA 63 + HA ALA 63 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 57 - HA ALA 63 far 0 87 0 - 7.6-8.7 HB3 LEU 52 - HA ALA 63 far 0 95 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (7.98, 1.49, 17.50 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 63 + QB ALA 63 OK 100 100 100 100 2.0-2.2 2.9=100 H ARG 69 - QB ALA 63 far 0 100 0 - 8.0-8.3 H ARG 70 - QB ALA 63 far 0 71 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 2610 from cnoeabs.peaks (4.06, 1.49, 17.50 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 63 + QB ALA 63 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 59 - QB ALA 63 far 0 89 0 - 4.3-4.7 Violated in 0 structures by 0.00 A. 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; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 3.0-3.0 3.0=100 QE MET 31 - HA LEU 64 far 0 87 0 - 4.8-5.9 HB3 ARG 70 - HA LEU 64 far 0 89 0 - 7.7-10.5 HB2 ARG 70 - HA LEU 64 far 0 89 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (1.70, 4.26, 57.87 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.4-2.4 3.0=100 HG3 ARG 66 - HA LEU 64 far 0 100 0 - 6.6-7.6 HG2 ARG 70 - HA LEU 64 far 0 97 0 - 7.1-9.8 Violated in 0 structures by 0.00 A. Peak 2616 from cnoeabs.peaks (1.54, 4.26, 57.87 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 2.8-2.9 2.1/2648=84, 2634=67...(13) HG LEU 62 - HA LEU 64 far 0 68 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (0.84, 4.26, 57.87 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 3.9-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 2618 from cnoeabs.peaks (0.95, 4.26, 57.87 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 2.6-3.1 2648=100, 2.1/2616=51...(16) QG2 ILE 40 - HA LEU 64 far 0 71 0 - 6.5-7.2 QD2 LEU 62 - HA LEU 64 far 0 71 0 - 7.3-8.6 QG2 VAL 41 - HA LEU 64 far 0 83 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2619 from cnoeabs.peaks (7.42, 1.97, 41.01 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.4-2.4 729=100, 730/1.8=80...(13) Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (4.26, 1.97, 41.01 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 60 - HB2 LEU 64 far 0 87 0 - 6.1-7.0 Violated in 0 structures by 0.00 A. 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; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 66 - HB2 LEU 64 far 0 100 0 - 7.7-8.7 HG2 ARG 70 - HB2 LEU 64 far 0 97 0 - 9.6-12.4 HG LEU 29 - HB2 LEU 64 far 0 76 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 2623 from cnoeabs.peaks (1.54, 1.97, 41.01 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 62 - HB2 LEU 64 far 0 68 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (0.84, 1.97, 41.01 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.9-2.1 3.1=100 QD2 LEU 29 - HB2 LEU 64 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 2625 from cnoeabs.peaks (0.95, 1.97, 41.01 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 3.0-3.1 3.1=100 QG2 ILE 40 - HB2 LEU 64 far 0 71 0 - 6.6-7.3 QD2 LEU 62 - HB2 LEU 64 far 0 71 0 - 6.9-7.9 QG2 VAL 41 - HB2 LEU 64 far 0 83 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (7.42, 1.70, 41.01 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.6-2.8 730=100, 729/1.8=82...(14) Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (4.26, 1.70, 41.01 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.4-2.4 3.0=100 HA SER 60 - HB3 LEU 64 far 0 87 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (1.97, 1.70, 41.01 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 31 - HB3 LEU 64 poor 19 87 25 89 2.8-4.1 5074/3.1=31, 5082/730=24...(14) Violated in 0 structures by 0.00 A. 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; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.9-3.0 3.0=100 HG LEU 62 - HB3 LEU 64 far 0 68 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (0.84, 1.70, 41.01 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.8-2.9 3.1=100 QD2 LEU 29 - HB3 LEU 64 far 0 100 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (0.95, 1.70, 41.01 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.9-2.2 3.1=100 QG2 ILE 40 - HB3 LEU 64 far 0 71 0 - 7.5-8.2 QD2 LEU 62 - HB3 LEU 64 far 0 71 0 - 7.9-8.8 QG2 VAL 41 - HB3 LEU 64 far 0 83 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (7.42, 1.54, 27.08 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 4.4-4.4 731=100, 729/3.0=86...(10) H LEU 52 - HG LEU 62 far 0 61 0 - 5.8-7.4 H LEU 64 - HG LEU 62 far 0 66 0 - 6.0-6.7 Violated in 0 structures by 0.00 A. Peak 2634 from cnoeabs.peaks (4.26, 1.54, 27.08 ppm; 4.25 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.8-2.9 2616=100, 2648/2.1=95...(13) HA LYS 83 - HG2 ARG 82 far 4 80 5 - 4.1-6.9 HA SER 60 - HG LEU 62 far 0 51 0 - 8.0-8.2 HA LEU 64 - HG LEU 62 far 0 66 0 - 8.4-8.9 HA ALA 20 - HG3 ARG 23 far 0 88 0 - 8.5-13.7 HA ALA 77 - HG2 ARG 82 far 0 58 0 - 8.5-12.2 HA SER 60 - HG LEU 64 far 0 87 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (1.97, 1.54, 27.08 ppm; 3.71 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 57 - HG LEU 62 far 0 52 0 - 4.5-4.7 QE MET 31 - HG LEU 64 far 0 87 0 - 4.9-5.9 HB3 GLN 79 - HG2 ARG 82 far 0 68 0 - 6.7-12.1 HB2 LEU 64 - HG LEU 62 far 0 66 0 - 7.0-7.5 HB2 GLN 79 - HG2 ARG 82 far 0 94 0 - 7.2-12.7 QE MET 31 - HG LEU 62 far 0 51 0 - 7.2-7.8 HB3 ARG 70 - HG LEU 64 far 0 89 0 - 8.6-11.3 HB2 ARG 70 - HG LEU 64 far 0 89 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (1.70, 1.54, 27.08 ppm; 2.54 A): 1 out of 12 assignments used, quality = 0.51: HG2 ARG 23 + HG3 ARG 23 OK 51 51 100 100 1.8-1.8 1.8=100 HB2 ARG 82 - HG2 ARG 82 far 5 95 5 - 2.8-3.0 ! HB3 LEU 64 - HG LEU 64 far 0 100 0 - 2.9-3.0 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 5.2-14.4 HB3 LYS 83 - HG2 ARG 82 far 0 74 0 - 5.2-8.6 HG3 ARG 66 - HG LEU 62 far 0 65 0 - 5.5-7.3 HB2 ARG 84 - HG2 ARG 82 far 0 53 0 - 6.5-11.8 HG2 ARG 70 - HG LEU 64 far 0 97 0 - 8.0-10.7 HG3 ARG 66 - HG LEU 64 far 0 100 0 - 8.3-9.0 HB3 LEU 64 - HG LEU 62 far 0 66 0 - 8.4-8.9 HG LEU 29 - HG3 ARG 23 far 0 60 0 - 9.0-12.1 HG LEU 29 - HG LEU 64 far 0 76 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2637 from cnoeabs.peaks (1.54, 1.54, 27.08 ppm; diagonal): 4 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): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 86 - HG2 ARG 82 far 0 88 0 - 5.7-15.4 QD2 LEU 64 - HG LEU 62 far 0 66 0 - 7.3-7.7 QD2 LEU 29 - HG3 ARG 23 far 0 88 0 - 7.8-9.9 QD2 LEU 29 - HG LEU 64 far 0 100 0 - 8.8-9.3 QD2 LEU 64 - HG3 ARG 23 far 0 88 0 - 8.8-12.3 QD1 LEU 43 - HG LEU 62 far 0 55 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (0.95, 1.54, 27.08 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 62 + HG LEU 62 OK 39 39 100 100 2.1-2.1 2.1=100 QG2 ILE 40 - HG LEU 64 far 0 71 0 - 5.6-6.3 QD1 LEU 64 - HG3 ARG 23 far 0 88 0 - 7.2-11.3 QG2 ILE 40 - HG LEU 62 far 0 39 0 - 7.4-8.3 QG2 VAL 41 - HG LEU 64 far 0 83 0 - 7.4-8.3 QD2 LEU 62 - HG LEU 64 far 0 71 0 - 8.3-9.5 QD1 LEU 64 - HG LEU 62 far 0 66 0 - 8.9-9.3 QG2 VAL 41 - HG3 ARG 23 far 0 67 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (7.42, 0.84, 25.67 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 4.0-4.1 4.4=100 H LYS 39 - QD2 LEU 64 far 0 65 0 - 8.5-9.5 H LEU 52 - QD2 LEU 64 far 0 97 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2642 from cnoeabs.peaks (1.97, 0.84, 25.67 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 3.1=100 QE MET 31 + QD2 LEU 64 OK 51 87 60 99 3.0-3.7 5074=55, 3.3/4198=40...(17) HG LEU 57 - QD2 LEU 64 far 0 89 0 - 7.6-8.2 HB3 ARG 70 - QD2 LEU 64 far 0 89 0 - 9.1-11.4 HB2 ARG 70 - QD2 LEU 64 far 0 89 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.70, 0.84, 25.67 ppm; 3.60 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.8-2.9 3.1=100 HG LEU 29 - QD2 LEU 64 far 0 76 0 - 6.2-6.8 HB2 LEU 29 - QD2 LEU 64 far 0 85 0 - 7.6-8.2 HG3 ARG 66 - QD2 LEU 64 far 0 100 0 - 7.9-8.7 HG2 ARG 70 - QD2 LEU 64 far 0 97 0 - 8.7-11.0 HG2 ARG 23 - QD2 LEU 64 far 0 65 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (1.54, 0.84, 25.67 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 62 - QD2 LEU 64 far 0 68 0 - 7.3-7.7 HG3 ARG 23 - QD2 LEU 64 far 0 100 0 - 8.8-12.3 HG2 LYS 39 - QD2 LEU 64 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. 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; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 40 - QD2 LEU 64 far 0 71 0 - 5.1-5.9 QG2 VAL 41 - QD2 LEU 64 far 0 83 0 - 6.9-7.6 QD2 LEU 62 - QD2 LEU 64 far 0 71 0 - 7.1-7.9 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (7.42, 0.95, 23.35 ppm; 4.33 A increased from 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 4.1-4.3 733=100, 3.0/2648=85...(12) Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (4.26, 0.95, 23.35 ppm; 3.04 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 64 + QD1 LEU 64 OK 99 100 100 99 2.6-3.1 2618=87, 2616/2.1=46...(16) HA SER 60 - QD1 LEU 64 far 0 87 0 - 6.7-7.5 HA ASP 38 - QD1 LEU 64 far 0 85 0 - 9.7-10.9 Violated in 2 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (1.70, 0.95, 23.35 ppm; 3.31 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.2 3.1=100 HG LEU 29 - QD1 LEU 64 far 0 76 0 - 6.7-7.3 HG2 ARG 70 - QD1 LEU 64 far 0 97 0 - 7.4-9.8 HG2 ARG 23 - QD1 LEU 64 far 0 65 0 - 7.7-11.2 HB2 LEU 29 - QD1 LEU 64 far 0 85 0 - 8.4-9.0 HG3 ARG 66 - QD1 LEU 64 far 0 100 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 2651 from cnoeabs.peaks (1.54, 0.95, 23.35 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 23 - QD1 LEU 64 far 0 100 0 - 7.2-11.3 HG LEU 62 - QD1 LEU 64 far 0 68 0 - 8.9-9.3 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (0.84, 0.95, 23.35 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 29 - QD1 LEU 64 far 0 100 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H VAL 65 + HA VAL 65 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 65 + HA VAL 65 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (1.23, 3.63, 67.03 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + HA VAL 65 OK 100 100 100 100 2.1-2.2 3.2=98, 2664/3.0=39...(18) QG2 VAL 65 + HA VAL 65 OK 83 83 100 100 2.4-2.5 3.2=98, 737/3.0=52...(14) HG13 ILE 40 - HA VAL 65 far 0 100 0 - 4.0-4.6 HG13 ILE 33 - HA VAL 65 far 0 95 0 - 5.3-5.7 HG2 ARG 69 - HA VAL 65 far 0 99 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (1.21, 3.63, 67.03 ppm; 3.06 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 65 + HA VAL 65 OK 99 100 100 99 2.4-2.5 3.2=87, 738/3.0=51...(15) QG1 VAL 65 + HA VAL 65 OK 82 83 100 99 2.1-2.2 3.2=87, 2664/3.0=30...(17) HG13 ILE 40 - HA VAL 65 far 0 85 0 - 4.0-4.6 HG13 ILE 33 - HA VAL 65 far 0 99 0 - 5.3-5.7 HG LEU 52 - HA VAL 65 far 0 89 0 - 6.9-7.7 HG2 ARG 69 - HA VAL 65 far 0 63 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (8.38, 2.39, 31.50 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 65 + HB VAL 65 OK 100 100 100 100 2.7-2.7 736=100, 738/2.1=82...(8) H ALA 16 - HG3 MET 11 far 0 60 0 - 9.5-17.2 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (3.63, 2.39, 31.50 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 65 + HB VAL 65 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 PRO 14 - HG3 MET 11 far 0 93 0 - 5.4-11.1 HA ILE 40 - HB VAL 65 far 0 100 0 - 7.0-7.6 HA ARG 69 - HB VAL 65 far 0 100 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 65 + HB VAL 65 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 65 + HB VAL 65 OK 83 83 100 100 2.1-2.1 2.1=100 HG13 ILE 40 - HB VAL 65 far 0 100 0 - 5.0-5.7 HG13 ILE 33 - HB VAL 65 far 0 95 0 - 7.0-7.5 HG2 ARG 69 - HB VAL 65 far 0 99 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (1.21, 2.39, 31.50 ppm; 3.07 A): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 65 + HB VAL 65 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 65 + HB VAL 65 OK 83 83 100 100 2.1-2.1 2.1=100 HG LEU 52 - HB VAL 65 far 0 89 0 - 4.6-5.5 HG13 ILE 40 - HB VAL 65 far 0 85 0 - 5.0-5.7 HG13 ILE 33 - HB VAL 65 far 0 99 0 - 7.0-7.5 QG2 THR 15 - HG3 MET 11 far 0 80 0 - 8.2-13.5 HG2 ARG 69 - HB VAL 65 far 0 63 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (8.38, 1.23, 22.65 ppm; 3.88 A increased from 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 65 + QG1 VAL 65 OK 100 100 100 100 3.8-3.8 4.0=93, 738/2.1=91...(12) H GLY 18 - QG1 VAL 65 far 0 87 0 - 9.5-20.1 Violated in 0 structures by 0.00 A. Peak 2665 from cnoeabs.peaks (3.63, 1.23, 22.65 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 65 + QG1 VAL 65 OK 100 100 100 100 2.1-2.2 3.2=100 HA ILE 40 - QG1 VAL 65 far 0 100 0 - 4.0-4.4 HA ARG 69 - QG1 VAL 65 far 0 100 0 - 5.4-6.0 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (2.39, 1.23, 22.65 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 65 + QG1 VAL 65 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 50 - QG1 VAL 65 far 0 87 0 - 8.8-10.6 HG2 GLU 59 - QG1 VAL 65 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. 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; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 65 + QG2 VAL 65 OK 100 100 100 100 1.9-2.1 738=100, 736/2.1=68...(15) H GLY 18 - QG2 VAL 65 far 0 87 0 - 9.2-19.2 H ALA 16 - QG2 VAL 65 far 0 60 0 - 9.9-21.0 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (3.63, 1.21, 23.08 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 65 + QG2 VAL 65 OK 100 100 100 100 2.4-2.5 3.2=100 HA ILE 40 - QG2 VAL 65 far 0 100 0 - 6.3-6.6 HA ARG 69 - QG2 VAL 65 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (2.39, 1.21, 23.08 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 65 + QG2 VAL 65 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 59 - QG2 VAL 65 far 0 97 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.84 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.5-2.6 3.0=100 HB ILE 68 - HA ARG 66 far 0 81 0 - 5.2-5.6 HB2 ARG 71 - HA ARG 66 far 0 76 0 - 7.9-10.2 HG12 ILE 40 - HA ARG 66 far 0 60 0 - 7.9-8.5 HB3 ARG 71 - HA ARG 66 far 0 78 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 2677 from cnoeabs.peaks (1.94, 3.98, 60.19 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 66 + HA ARG 66 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 70 - HA ARG 66 far 0 95 0 - 5.1-7.8 HB2 ARG 70 - HA ARG 66 far 0 95 0 - 5.2-7.4 HG13 ILE 68 - HA ARG 66 far 0 87 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 2678 from cnoeabs.peaks (2.01, 3.98, 60.19 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.5-3.4 2699=100, 1.8/2679=76...(27) HD3 ARG 69 + HA ARG 66 OK 39 83 55 85 3.6-5.8 3.9/5047=41, 3.9/4733=39...(9) HD2 ARG 69 - HA ARG 66 far 8 83 10 - 4.0-5.7 QE MET 31 - HA ARG 66 far 0 81 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 2679 from cnoeabs.peaks (1.70, 3.98, 60.19 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.3-3.8 2707=85, 1.8/2699=79...(28) HG2 ARG 70 - HA ARG 66 far 0 95 0 - 4.2-8.3 HB3 LEU 64 - HA ARG 66 far 0 100 0 - 8.3-8.4 HB2 LEU 43 - HA ARG 66 far 0 60 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 2680 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.94 A increased from 4.65 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.4-4.8 3.0/2699=88, 5.2=87...(28) HD3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.6-4.7 3.0/2699=88, 5.2=87...(28) HD2 ARG 70 - HA ARG 66 far 4 89 5 - 4.9-9.3 HD3 ARG 70 - HA ARG 66 far 0 92 0 - 5.3-8.8 HD3 ARG 71 - HA ARG 66 far 0 97 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2681 from cnoeabs.peaks (3.19, 3.98, 60.19 ppm; 4.94 A increased from 4.65 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 66 + HA ARG 66 OK 100 100 100 100 2.6-4.7 3.0/2699=88, 5.2=87...(28) HD2 ARG 66 + HA ARG 66 OK 100 100 100 100 2.4-4.8 3.0/2699=88, 5.2=87...(28) HD2 ARG 70 - HA ARG 66 far 4 85 5 - 4.9-9.3 HD3 ARG 70 - HA ARG 66 far 0 89 0 - 5.3-8.8 HD3 ARG 71 - HA ARG 66 far 0 95 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (8.59, 1.88, 29.95 ppm; 4.54 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 66 + HB2 ARG 66 OK 100 100 100 100 3.6-3.6 4.0=100 H ARG 66 - HB2 ARG 71 far 0 55 0 - 8.4-10.6 H ARG 66 - HB3 ARG 71 far 0 57 0 - 8.6-10.8 H ARG 66 - HB3 ARG 27 far 0 61 0 - 8.7-9.6 H ARG 66 - HB2 ARG 27 far 0 58 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (3.98, 1.88, 29.95 ppm; 4.15 A): 2 out of 32 assignments used, quality = 1.00: * HA ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.5-2.6 3.0=100 HA ALA 28 + HB3 ARG 27 OK 28 45 65 96 4.0-4.8 4173/5028=31, ~70=29...(15) HA ALA 28 - HB2 ARG 27 poor 15 43 35 - 4.2-5.4 HA2 GLY 72 - HB3 ARG 71 poor 15 48 30 - 4.0-6.0 HA2 GLY 72 - HB2 ARG 71 poor 12 47 25 - 4.2-5.7 HA ARG 70 - HB2 ARG 71 far 0 32 0 - 5.5-6.6 HA ARG 70 - HB3 ARG 71 far 0 33 0 - 5.5-6.6 HA2 GLY 21 - HB2 ARG 26 far 0 69 0 - 5.9-10.5 HA2 GLY 21 - HB3 ARG 26 far 0 69 0 - 6.6-11.3 HA ARG 70 - HB2 ARG 66 far 0 71 0 - 6.8-8.0 HA3 GLY 21 - HB2 ARG 26 far 0 67 0 - 7.2-11.2 HA3 GLY 21 - HB3 ARG 26 far 0 66 0 - 7.3-11.9 HA ALA 28 - HB2 ARG 26 far 0 84 0 - 7.5-7.8 HA GLN 61 - HB3 ARG 27 far 0 54 0 - 7.6-8.7 HA ALA 28 - HB3 ARG 26 far 0 83 0 - 7.6-8.4 HA ARG 66 - HB2 ARG 71 far 0 55 0 - 7.9-10.2 HA ARG 66 - HB3 ARG 71 far 0 57 0 - 7.9-10.4 HA3 GLY 21 - HB2 ARG 23 far 0 34 0 - 8.1-9.7 HA2 GLY 21 - HB3 ARG 23 far 0 37 0 - 8.3-10.2 HA2 GLY 21 - HB2 ARG 23 far 0 35 0 - 8.4-9.6 HA3 GLY 21 - HB3 ARG 23 far 0 36 0 - 8.6-10.2 HA GLN 61 - HB2 ARG 27 far 0 52 0 - 8.8-10.1 HA2 GLY 72 - HB2 ARG 23 far 0 51 0 - 9.0-12.6 HA LYS 32 - HB3 ARG 27 far 0 61 0 - 9.4-10.0 HA3 GLY 21 - HB2 ARG 27 far 0 33 0 - 9.4-12.3 HA2 GLY 72 - HB2 ARG 27 far 0 50 0 - 9.4-11.7 HA2 GLY 21 - HB2 ARG 27 far 0 34 0 - 9.4-12.0 HA LYS 32 - HB2 ARG 27 far 0 58 0 - 9.6-10.7 HA2 GLY 72 - HB3 ARG 27 far 0 52 0 - 9.8-12.1 HA GLN 61 - HB2 ARG 66 far 0 96 0 - 9.9-10.4 HA2 GLY 72 - HB3 ARG 23 far 0 54 0 - 9.9-12.7 HA VAL 76 - HB3 ARG 71 far 0 53 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (1.88, 1.88, 29.95 ppm; diagonal): 9 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): 1 out of 23 assignments used, quality = 1.00: * HB3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 70 - HB3 ARG 71 far 0 50 0 - 4.0-7.4 HB3 ARG 70 - HB3 ARG 71 far 0 50 0 - 4.1-7.2 HG13 ILE 68 - HB3 ARG 27 far 0 46 0 - 4.3-5.1 HG13 ILE 68 - HB2 ARG 27 far 0 45 0 - 4.3-6.2 HB2 ARG 70 - HB2 ARG 71 far 0 48 0 - 4.5-7.1 HB3 ARG 70 - HB2 ARG 71 far 0 48 0 - 4.7-6.4 HB3 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.7-7.8 HG13 ILE 68 - HB2 ARG 71 far 0 42 0 - 4.7-7.5 HB2 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.9-7.3 HB2 MET 31 - HB3 ARG 27 far 0 59 0 - 5.2-6.3 HG13 ILE 68 - HB3 ARG 71 far 0 43 0 - 5.5-7.3 HB2 MET 31 - HB2 ARG 27 far 0 57 0 - 5.8-7.6 HB VAL 41 - HB2 ARG 71 far 0 49 0 - 7.0-10.2 HB VAL 41 - HB3 ARG 71 far 0 51 0 - 7.5-10.4 HG13 ILE 68 - HB2 ARG 66 far 0 87 0 - 7.6-7.9 HG13 ILE 68 - HB3 ARG 23 far 0 48 0 - 8.4-11.4 HB3 ARG 66 - HB2 ARG 71 far 0 55 0 - 8.8-10.7 HB3 ARG 66 - HB3 ARG 71 far 0 57 0 - 8.8-11.4 HB2 MET 31 - HB3 ARG 26 far 0 98 0 - 8.8-10.4 HB2 MET 31 - HB2 ARG 26 far 0 99 0 - 8.9-9.8 HG13 ILE 68 - HB2 ARG 23 far 0 46 0 - 8.9-12.4 HG13 ILE 68 - HB2 ARG 26 far 0 86 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (2.01, 1.88, 29.95 ppm; 3.25 A): 1 out of 20 assignments used, quality = 1.00: * HG2 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.9-3.0 2.8=100 HD2 ARG 69 - HB2 ARG 66 far 0 83 0 - 5.1-7.5 HD3 ARG 69 - HB2 ARG 66 far 0 83 0 - 5.2-7.3 QE MET 31 - HB3 ARG 27 far 0 42 0 - 5.9-7.2 HB3 GLU 19 - HB3 ARG 26 far 0 61 0 - 6.3-17.2 HD3 ARG 69 - HB2 ARG 71 far 0 39 0 - 6.7-10.7 HG3 PRO 14 - HB3 ARG 26 far 0 66 0 - 6.8-27.8 QE MET 31 - HB2 ARG 27 far 0 40 0 - 6.9-8.3 HB3 GLU 19 - HB2 ARG 26 far 0 62 0 - 7.3-16.4 HD2 ARG 69 - HB3 ARG 71 far 0 41 0 - 7.4-11.7 HG2 PRO 14 - HB3 ARG 26 far 0 66 0 - 7.6-26.3 HD3 ARG 69 - HB3 ARG 71 far 0 41 0 - 7.8-11.2 HD2 ARG 69 - HB2 ARG 71 far 0 39 0 - 8.0-11.5 HB3 GLU 19 - HB2 ARG 23 far 0 31 0 - 8.5-16.3 HG3 PRO 14 - HB2 ARG 26 far 0 67 0 - 8.5-27.4 HG2 PRO 14 - HB2 ARG 26 far 0 67 0 - 9.4-25.9 QE MET 31 - HB3 ARG 26 far 0 79 0 - 9.5-11.0 QE MET 31 - HB2 ARG 66 far 0 81 0 - 9.5-10.2 QE MET 31 - HB2 ARG 26 far 0 79 0 - 9.6-10.2 HB3 GLU 19 - HB3 ARG 23 far 0 32 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 2687 from cnoeabs.peaks (1.70, 1.88, 29.95 ppm; 3.18 A): 3 out of 26 assignments used, quality = 1.00: * HG3 ARG 66 + HB2 ARG 66 OK 100 100 100 100 2.4-2.7 2.8=100 HG2 ARG 23 + HB3 ARG 23 OK 37 37 100 100 2.3-3.0 3.0=100 HG2 ARG 23 + HB2 ARG 23 OK 35 35 100 100 2.5-3.0 3.0=100 HG2 ARG 70 - HB3 ARG 71 far 0 50 0 - 3.6-7.6 HG2 ARG 70 - HB2 ARG 71 far 0 48 0 - 3.8-7.6 HG LEU 29 - HB3 ARG 26 far 0 79 0 - 4.0-4.5 HG LEU 29 - HB2 ARG 26 far 0 79 0 - 4.1-4.9 HG2 ARG 70 - HB2 ARG 66 far 0 95 0 - 4.2-7.8 HG2 ARG 23 - HB2 ARG 26 far 0 69 0 - 4.7-8.0 HB3 LEU 64 - HB3 ARG 27 far 0 60 0 - 4.9-6.0 HG2 ARG 23 - HB2 ARG 27 far 0 34 0 - 5.6-9.9 HG LEU 29 - HB2 ARG 27 far 0 40 0 - 6.0-6.2 HB2 LEU 29 - HB3 ARG 26 far 0 79 0 - 6.1-6.7 HB2 LEU 29 - HB2 ARG 26 far 0 79 0 - 6.2-7.4 HB3 LEU 64 - HB2 ARG 27 far 0 58 0 - 6.2-7.4 HG LEU 29 - HB3 ARG 27 far 0 42 0 - 6.3-6.8 HG2 ARG 23 - HB3 ARG 26 far 0 69 0 - 6.3-8.5 HG2 ARG 23 - HB3 ARG 27 far 0 36 0 - 7.3-11.0 HG2 ARG 23 - HB3 ARG 71 far 0 33 0 - 8.1-12.7 HB3 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.5-8.7 HB2 LEU 29 - HB2 ARG 27 far 0 40 0 - 8.6-8.9 HB2 LEU 29 - HB3 ARG 27 far 0 42 0 - 8.8-9.2 HG2 ARG 23 - HB2 ARG 71 far 0 32 0 - 8.9-12.5 HG LEU 29 - HB3 ARG 23 far 0 44 0 - 9.3-10.5 HB3 LEU 64 - HB2 ARG 71 far 0 55 0 - 9.4-11.4 HG LEU 29 - HB2 ARG 23 far 0 42 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 13 out of 65 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 78 90 90 97 2.1-3.8 3.5=83, 532/3.9=11...(43) HD2 ARG 26 + HB2 ARG 26 OK 70 91 80 97 2.2-4.2 3.5=83, 6.1/527=15...(44) HD3 ARG 26 + HB3 ARG 26 OK 66 92 75 97 2.2-3.7 3.5=83, 2948/3.0=11...(43) HD3 ARG 66 + HB2 ARG 66 OK 63 100 65 96 2.4-3.7 3.4=84, ~2701=19...(14) * HD2 ARG 66 + HB2 ARG 66 OK 63 100 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 36 92 40 97 2.2-4.2 3.5=83, 6.1/527=15...(44) HD2 ARG 27 + HB3 ARG 27 OK 30 43 70 97 2.4-4.2 3.5=77, 5382/4.1=10...(46) HD3 ARG 27 + HB3 ARG 27 OK 29 43 70 97 2.0-4.1 3.5=77, 5382/4.1=11...(46) HD3 ARG 71 + HB3 ARG 71 OK 27 52 55 97 2.2-4.2 3.5=78, ~2937=23...(30) HD3 ARG 27 + HB2 ARG 27 OK 26 42 65 97 2.3-4.2 3.5=77, 5382/4.1=11...(45) HD2 ARG 23 + HB3 ARG 23 OK 22 39 60 94 2.2-4.2 3.5=78, ~1264=16...(17) HD3 ARG 23 + HB3 ARG 23 OK 22 39 60 94 2.1-3.8 3.5=78, ~1264=16...(16) HD2 ARG 27 + HB2 ARG 27 OK 20 42 50 97 2.2-4.2 3.5=77, 5382/4.1=10...(46) HD3 ARG 23 - HB2 ARG 23 poor 19 37 55 94 2.2-4.2 3.5=78, ~1264=16...(17) HD2 ARG 23 - HB2 ARG 23 poor 18 37 50 - 2.1-4.1 HD3 ARG 71 - HB2 ARG 71 poor 15 50 30 - 2.8-4.2 HD3 ARG 27 - HB2 ARG 26 far 12 81 15 - 3.3-7.3 HD2 ARG 70 - HB2 ARG 66 far 4 89 5 - 3.5-8.6 HD2 ARG 27 - HB2 ARG 26 far 4 81 5 - 3.0-8.0 HD2 ARG 27 - HB3 ARG 23 far 2 45 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 26 far 0 81 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 81 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 72 0 - 4.2-9.8 HD3 ARG 70 - HB2 ARG 66 far 0 92 0 - 4.2-8.3 HD3 ARG 27 - HB3 ARG 23 far 0 45 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 43 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 72 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 52 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 43 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 49 0 - 5.3-9.0 HD3 ARG 70 - HB3 ARG 71 far 0 47 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 46 0 - 5.3-8.6 HD2 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.5-10.6 HD2 ARG 70 - HB3 ARG 71 far 0 45 0 - 5.5-9.4 HD2 ARG 26 - HB2 ARG 23 far 0 50 0 - 5.5-9.4 HD3 ARG 23 - HB3 ARG 26 far 0 72 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 41 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 39 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 39 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 54 0 - 6.1-9.0 HD2 ARG 70 - HB2 ARG 71 far 0 43 0 - 6.2-8.9 HD3 ARG 71 - HB2 ARG 27 far 0 53 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 55 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 50 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 41 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 50 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 51 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 36 0 - 6.8-11.8 HD3 ARG 71 - HB2 ARG 23 far 0 54 0 - 6.8-14.5 HD2 ARG 17 - HB3 ARG 26 far 0 58 0 - 6.9-18.9 HD3 ARG 23 - HB2 ARG 27 far 0 36 0 - 6.9-10.6 HD3 ARG 71 - HB3 ARG 23 far 0 57 0 - 7.0-12.9 HD2 ARG 23 - HB3 ARG 71 far 0 35 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 35 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 52 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 58 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 59 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 33 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 37 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 37 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 33 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 59 0 - 8.4-20.2 HD3 ARG 71 - HB2 ARG 26 far 0 96 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 97 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (3.19, 1.88, 29.95 ppm; 3.25 A): 14 out of 65 assignments used, quality = 1.00: HD2 ARG 26 + HB3 ARG 26 OK 81 93 90 97 2.1-3.8 3.5=83, 532/3.9=11...(43) HD2 ARG 26 + HB2 ARG 26 OK 72 93 80 97 2.2-4.2 3.5=83, 6.1/527=15...(44) HD3 ARG 26 + HB3 ARG 26 OK 68 94 75 97 2.2-3.7 3.5=83, 532/3.9=11...(43) * HD3 ARG 66 + HB2 ARG 66 OK 63 100 65 96 2.4-3.7 3.4=84, ~2701=19...(14) HD2 ARG 66 + HB2 ARG 66 OK 63 100 65 96 2.1-3.8 3.4=84, ~2701=19...(14) HD3 ARG 26 + HB2 ARG 26 OK 37 95 40 97 2.2-4.2 3.5=83, 6.1/527=15...(44) HD2 ARG 27 + HB3 ARG 27 OK 32 46 70 97 2.4-4.2 3.5=77, 5382/4.1=10...(46) HD3 ARG 27 + HB3 ARG 27 OK 31 46 70 97 2.0-4.1 3.5=77, 5382/4.1=11...(46) HD3 ARG 27 + HB2 ARG 27 OK 28 45 65 97 2.3-4.2 3.5=77, 5382/4.1=11...(46) HD3 ARG 71 + HB3 ARG 71 OK 26 50 55 97 2.2-4.2 3.5=78, ~2937=23...(30) HD2 ARG 23 + HB3 ARG 23 OK 24 42 60 94 2.2-4.2 3.5=78, ~1264=16...(17) HD3 ARG 23 + HB3 ARG 23 OK 24 42 60 94 2.1-3.8 3.5=78, ~1264=16...(16) HD2 ARG 27 + HB2 ARG 27 OK 22 45 50 97 2.2-4.2 3.5=77, 5382/4.1=10...(46) HD3 ARG 23 + HB2 ARG 23 OK 21 40 55 94 2.2-4.2 3.5=78, ~1264=16...(17) HD2 ARG 23 - HB2 ARG 23 poor 19 40 50 94 2.1-4.1 3.5=78, ~1264=16...(17) HD3 ARG 71 - HB2 ARG 71 poor 14 48 30 - 2.8-4.2 HD3 ARG 27 - HB2 ARG 26 far 13 86 15 - 3.3-7.3 HD2 ARG 27 - HB2 ARG 26 far 4 86 5 - 3.0-8.0 HD2 ARG 70 - HB2 ARG 66 far 4 85 5 - 3.5-8.6 HD2 ARG 27 - HB3 ARG 23 far 2 48 5 - 3.5-7.5 HD3 ARG 27 - HB3 ARG 26 far 0 85 0 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 85 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 77 0 - 4.2-9.8 HD3 ARG 70 - HB2 ARG 66 far 0 89 0 - 4.2-8.3 HD3 ARG 27 - HB3 ARG 23 far 0 48 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 46 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 77 0 - 4.5-9.7 HD2 ARG 26 - HB3 ARG 23 far 0 55 0 - 4.7-8.8 HD3 ARG 27 - HB2 ARG 23 far 0 46 0 - 4.8-9.7 HD2 ARG 26 - HB2 ARG 27 far 0 51 0 - 5.3-9.0 HD3 ARG 70 - HB3 ARG 71 far 0 45 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 43 0 - 5.3-8.6 HD2 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.5-10.6 HD2 ARG 70 - HB3 ARG 71 far 0 42 0 - 5.5-9.4 HD2 ARG 26 - HB2 ARG 23 far 0 52 0 - 5.5-9.4 HD3 ARG 23 - HB3 ARG 26 far 0 76 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 43 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 42 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 42 0 - 6.1-11.3 HD3 ARG 26 - HB3 ARG 23 far 0 56 0 - 6.1-9.0 HD2 ARG 70 - HB2 ARG 71 far 0 40 0 - 6.2-8.9 HD3 ARG 71 - HB2 ARG 27 far 0 51 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 53 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 52 0 - 6.3-9.1 HD3 ARG 27 - HB3 ARG 71 far 0 43 0 - 6.4-11.2 HD2 ARG 26 - HB3 ARG 27 far 0 53 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 53 0 - 6.8-9.8 HD2 ARG 23 - HB2 ARG 27 far 0 39 0 - 6.8-11.8 HD3 ARG 71 - HB2 ARG 23 far 0 52 0 - 6.8-14.5 HD2 ARG 17 - HB3 ARG 26 far 0 64 0 - 6.9-18.9 HD3 ARG 23 - HB2 ARG 27 far 0 39 0 - 6.9-10.6 HD3 ARG 71 - HB3 ARG 23 far 0 55 0 - 7.0-12.9 HD2 ARG 23 - HB3 ARG 71 far 0 38 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 38 0 - 7.3-12.6 HD3 ARG 26 - HB3 ARG 27 far 0 54 0 - 7.6-9.8 HD3 ARG 17 - HB3 ARG 26 far 0 64 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 64 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 36 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 40 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 40 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 36 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 64 0 - 8.4-20.2 HD3 ARG 71 - HB2 ARG 26 far 0 93 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 95 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 55 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2690 from cnoeabs.peaks (8.59, 1.94, 29.95 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-2.5 4.0=100 H ARG 66 - HB3 ARG 70 far 0 89 0 - 6.7-9.6 H ARG 66 - HB2 ARG 70 far 0 89 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 2691 from cnoeabs.peaks (3.98, 1.94, 29.95 ppm; 3.64 A): 3 out of 9 assignments used, quality = 1.00: * HA ARG 66 + HB3 ARG 66 OK 100 100 100 100 3.0-3.0 3.0=100 HA ARG 70 + HB2 ARG 70 OK 57 57 100 100 2.3-3.0 3.0=100 HA ARG 70 + HB3 ARG 70 OK 57 57 100 100 2.4-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 0 89 0 - 5.1-7.8 HA ARG 66 - HB2 ARG 70 far 0 89 0 - 5.2-7.4 HA2 GLY 72 - HB3 ARG 70 far 0 79 0 - 6.7-8.6 HA2 GLY 72 - HB2 ARG 70 far 0 79 0 - 6.9-8.5 HA ARG 70 - HB3 ARG 66 far 0 71 0 - 8.1-9.1 HA GLN 61 - HB3 ARG 66 far 0 96 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 2692 from cnoeabs.peaks (1.88, 1.94, 29.95 ppm; 2.49 A): 1 out of 12 assignments used, quality = 1.00: * HB2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 71 - HB2 ARG 70 far 0 64 0 - 4.0-7.4 HB3 ARG 71 - HB3 ARG 70 far 0 64 0 - 4.1-7.2 HB2 ARG 71 - HB2 ARG 70 far 0 61 0 - 4.5-7.1 HB2 ARG 71 - HB3 ARG 70 far 0 61 0 - 4.7-6.4 HB2 ARG 66 - HB3 ARG 70 far 0 89 0 - 4.7-7.8 HB2 ARG 66 - HB2 ARG 70 far 0 89 0 - 4.9-7.3 HB ILE 68 - HB3 ARG 70 far 0 66 0 - 6.8-8.9 HB ILE 68 - HB3 ARG 66 far 0 81 0 - 7.0-7.1 HB ILE 68 - HB2 ARG 70 far 0 66 0 - 7.0-8.8 HB2 ARG 71 - HB3 ARG 66 far 0 76 0 - 8.8-10.7 HB3 ARG 71 - HB3 ARG 66 far 0 78 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. 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): 1 out of 10 assignments used, quality = 1.00: * HG2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.3-2.7 2.8=100 HD3 ARG 69 - HB2 ARG 70 far 0 68 0 - 3.7-7.8 HD2 ARG 69 - HB2 ARG 70 far 0 68 0 - 3.7-8.5 HD3 ARG 69 - HB3 ARG 70 far 0 68 0 - 4.2-8.3 HD2 ARG 69 - HB3 ARG 70 far 0 68 0 - 4.4-8.6 HD3 ARG 69 - HB3 ARG 66 far 0 83 0 - 6.4-8.5 HD2 ARG 69 - HB3 ARG 66 far 0 83 0 - 6.5-8.6 HG2 ARG 66 - HB3 ARG 70 far 0 89 0 - 7.3-10.5 HG2 ARG 66 - HB2 ARG 70 far 0 89 0 - 7.6-9.8 QE MET 31 - HB3 ARG 66 far 0 81 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 2695 from cnoeabs.peaks (1.70, 1.94, 29.95 ppm; 3.46 A): 3 out of 7 assignments used, quality = 1.00: * HG3 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HG2 ARG 70 + HB3 ARG 70 OK 80 80 100 100 2.3-3.0 2.9=100 HG2 ARG 70 + HB2 ARG 70 OK 80 80 100 100 2.3-3.0 2.9=100 HG2 ARG 70 - HB3 ARG 66 far 0 95 0 - 5.5-8.7 HG3 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.5-9.8 HG3 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.5-9.9 HB3 LEU 64 - HB3 ARG 66 far 0 100 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 2696 from cnoeabs.peaks (3.19, 1.94, 29.95 ppm; 3.71 A): 6 out of 19 assignments used, quality = 1.00: * HD2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.6-3.8 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 85 100 85 100 2.4-4.2 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 77 77 100 100 2.2-3.8 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 74 74 100 100 2.5-3.7 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 73 77 95 100 2.2-4.2 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 63 74 85 100 2.3-4.2 3.5=100 HD3 ARG 71 - HB2 ARG 70 far 8 83 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 83 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 92 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 97 0 - 9.2-12.7 HD3 ARG 27 - HB3 ARG 70 far 0 68 0 - 9.3-15.6 HD2 ARG 27 - HB2 ARG 70 far 0 68 0 - 9.8-15.3 HD2 ARG 27 - HB3 ARG 66 far 0 83 0 - 9.9-13.4 HD3 ARG 27 - HB3 ARG 66 far 0 83 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (3.19, 1.94, 29.95 ppm; 3.71 A): 6 out of 19 assignments used, quality = 1.00: HD2 ARG 66 + HB3 ARG 66 OK 100 100 100 100 2.6-3.8 3.4=100 * HD3 ARG 66 + HB3 ARG 66 OK 85 100 85 100 2.4-4.2 3.4=100 HD3 ARG 70 + HB3 ARG 70 OK 74 74 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 70 74 95 100 2.2-4.2 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 70 70 100 100 2.5-3.7 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 59 70 85 100 2.3-4.2 3.5=100 HD3 ARG 71 - HB2 ARG 70 far 8 80 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 80 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 85 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 95 0 - 9.2-12.7 HD3 ARG 27 - HB3 ARG 70 far 0 72 0 - 9.3-15.6 HD2 ARG 27 - HB2 ARG 70 far 0 72 0 - 9.8-15.3 HD2 ARG 27 - HB3 ARG 66 far 0 87 0 - 9.9-13.4 HD3 ARG 27 - HB3 ARG 66 far 0 87 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (3.98, 2.01, 28.91 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.5-3.4 4.1=70, 2679/1.8=68...(23) HA VAL 76 - HB3 GLN 79 far 13 85 15 - 3.4-6.1 HA GLN 61 - HG2 ARG 66 far 0 96 0 - 7.9-9.1 HA ARG 70 - HG2 ARG 66 far 0 71 0 - 9.1-10.3 HA2 GLY 72 - HB3 GLN 79 far 0 79 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (1.88, 2.01, 28.91 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.9-3.0 2.8=100 HB ILE 68 - HG2 ARG 66 far 0 81 0 - 7.1-7.7 HG12 ILE 40 - HG2 ARG 66 far 0 60 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 2701 from cnoeabs.peaks (1.94, 2.01, 28.91 ppm; 2.40 A): 2 out of 7 assignments used, quality = 0.95: * HB3 ARG 66 + HG2 ARG 66 OK 87 100 100 87 2.3-2.7 2.8=62, 3.0/2699=22...(15) HB2 GLN 79 + HB3 GLN 79 OK 57 57 100 100 1.8-1.8 1.8=100 HB3 ARG 70 - HG2 ARG 66 far 0 95 0 - 7.3-10.5 HB2 ARG 70 - HG2 ARG 66 far 0 95 0 - 7.6-9.8 HG13 ILE 68 - HG2 ARG 66 far 0 87 0 - 7.7-8.2 HB VAL 41 - HB3 GLN 79 far 0 81 0 - 8.1-15.4 HG LEU 57 - HG2 ARG 66 far 0 95 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. 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; 3.39 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 85 - HB3 GLN 79 far 0 52 0 - 6.6-18.9 HG2 ARG 70 - HG2 ARG 66 far 0 95 0 - 6.7-10.5 HB3 LYS 83 - HB3 GLN 79 far 0 64 0 - 7.5-13.9 HB3 LEU 64 - HG2 ARG 66 far 0 100 0 - 7.5-8.4 HB2 ARG 82 - HB3 GLN 79 far 0 89 0 - 8.3-12.4 Violated in 0 structures by 0.00 A. Peak 2704 from cnoeabs.peaks (3.19, 2.01, 28.91 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 70 - HG2 ARG 66 far 0 89 0 - 6.4-11.5 HD3 ARG 70 - HG2 ARG 66 far 0 92 0 - 7.1-11.0 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (3.19, 2.01, 28.91 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 66 + HG2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 70 - HG2 ARG 66 far 0 85 0 - 6.4-11.5 HD3 ARG 70 - HG2 ARG 66 far 0 89 0 - 7.1-11.0 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (3.98, 1.70, 28.91 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.3-3.8 2679=100, 2699/1.8=85...(28) HA ARG 70 - HG3 ARG 66 far 0 71 0 - 8.0-10.3 HA GLN 61 - HG3 ARG 66 far 0 96 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 2708 from cnoeabs.peaks (1.88, 1.70, 28.91 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.4-2.7 2.8=100 HB ILE 68 - HG3 ARG 66 far 0 81 0 - 7.4-8.6 HG12 ILE 40 - HG3 ARG 66 far 0 60 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 2709 from cnoeabs.peaks (1.94, 1.70, 28.91 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.2-3.0 2.8=100 HB3 ARG 70 - HG3 ARG 66 far 0 95 0 - 6.5-9.8 HB2 ARG 70 - HG3 ARG 66 far 0 95 0 - 6.5-9.9 HG13 ILE 68 - HG3 ARG 66 far 0 87 0 - 8.1-8.9 HG LEU 57 - HG3 ARG 66 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2710 from cnoeabs.peaks (2.01, 1.70, 28.91 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 69 - HG3 ARG 66 far 0 83 0 - 4.7-8.2 HD2 ARG 69 - HG3 ARG 66 far 0 83 0 - 5.3-8.1 QE MET 31 - HG3 ARG 66 far 0 81 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 70 - HG3 ARG 66 far 0 89 0 - 5.6-10.4 HD3 ARG 70 - HG3 ARG 66 far 0 92 0 - 6.5-10.3 Violated in 0 structures by 0.00 A. Peak 2713 from cnoeabs.peaks (3.19, 1.70, 28.91 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 66 + HG3 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 70 - HG3 ARG 66 far 0 85 0 - 5.6-10.4 HD3 ARG 70 - HG3 ARG 66 far 0 89 0 - 6.5-10.3 Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (3.98, 3.19, 43.48 ppm; 5.25 A): 4 out of 43 assignments used, quality = 1.00: * HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-4.8 5.2=100 HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.6-4.7 5.2=100 HA ARG 70 + HD3 ARG 70 OK 60 60 100 100 2.1-5.5 5.3=97, 2844/3.0=64...(18) HA ARG 70 + HD2 ARG 70 OK 57 57 100 100 2.2-5.0 5.3=97, 2844/3.0=64...(19) HA ARG 66 - HD2 ARG 70 far 13 89 15 - 4.9-9.3 HA2 GLY 72 - HD3 ARG 71 poor 10 48 20 - 3.9-8.5 HA ARG 66 - HD3 ARG 70 far 5 92 5 - 5.3-8.8 HA LYS 32 - HD2 ARG 17 far 3 30 10 - 4.4-19.9 HA2 GLY 21 - HD3 ARG 26 far 2 31 5 - 5.3-11.5 HA LYS 32 - HD3 ARG 17 far 1 30 5 - 3.6-20.3 HA2 GLY 21 - HD2 ARG 26 far 2 30 5 - 4.8-10.9 HA ALA 28 - HD3 ARG 27 far 0 33 0 - 5.6-8.0 HA ARG 70 - HD3 ARG 71 far 0 33 0 - 5.7-8.5 HA3 GLY 21 - HD3 ARG 26 far 0 30 0 - 5.8-11.9 HA3 GLY 21 - HD2 ARG 26 far 0 29 0 - 6.2-10.8 HA ALA 28 - HD2 ARG 27 far 0 33 0 - 6.3-7.9 HA2 GLY 21 - HD2 ARG 23 far 0 22 0 - 7.1-11.2 HA ALA 28 - HD3 ARG 17 far 0 21 0 - 7.2-20.6 HA2 GLY 72 - HD2 ARG 70 far 0 78 0 - 7.2-11.1 HA2 GLY 72 - HD3 ARG 70 far 0 82 0 - 7.2-10.4 HA3 GLY 21 - HD2 ARG 23 far 0 21 0 - 7.3-11.3 HA2 GLY 21 - HD3 ARG 23 far 0 22 0 - 7.3-12.0 HA GLN 61 - HD3 ARG 27 far 0 40 0 - 7.6-11.5 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 7.8-11.3 HA3 GLY 21 - HD3 ARG 23 far 0 21 0 - 7.9-11.4 HA GLN 61 - HD2 ARG 27 far 0 40 0 - 8.0-11.1 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 8.2-11.1 HA GLN 61 - HD2 ARG 66 far 0 96 0 - 8.5-11.5 HA ALA 28 - HD3 ARG 26 far 0 39 0 - 8.5-10.9 HA GLN 61 - HD3 ARG 66 far 0 95 0 - 8.5-11.3 HA2 GLY 72 - HD2 ARG 27 far 0 38 0 - 8.6-14.2 HA ALA 28 - HD2 ARG 26 far 0 38 0 - 8.7-10.8 HA2 GLY 72 - HD3 ARG 27 far 0 38 0 - 8.8-14.0 HA ALA 28 - HD2 ARG 17 far 0 21 0 - 8.8-19.1 HA GLU 50 - HD3 ARG 66 far 0 94 0 - 9.2-12.4 HA ARG 66 - HD3 ARG 71 far 0 56 0 - 9.6-11.7 HA LYS 32 - HD3 ARG 26 far 0 53 0 - 9.7-13.2 HA LYS 32 - HD3 ARG 27 far 0 45 0 - 9.8-12.9 HA VAL 76 - HD3 ARG 71 far 0 53 0 - 9.8-14.6 HA GLU 50 - HD2 ARG 66 far 0 95 0 - 9.8-12.9 HA ALA 28 - HD3 ARG 71 far 0 42 0 - 9.9-15.3 HA2 GLY 72 - HD3 ARG 23 far 0 32 0 - 9.9-14.9 HA2 GLY 21 - HD2 ARG 27 far 0 26 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 3.49 A increased from 2.94 A): 11 out of 77 assignments used, quality = 1.00: * HB2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.1-3.8 3.4=100 HB2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.4-3.7 3.4=100 HB3 ARG 26 + HD3 ARG 26 OK 52 52 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 49 51 95 100 2.2-4.2 3.5=100 HB3 ARG 26 + HD2 ARG 26 OK 48 51 95 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 37 52 70 100 2.2-4.2 3.5=100 HB3 ARG 71 + HD3 ARG 71 OK 32 37 85 100 2.2-4.2 3.5=96, ~2937=28...(34) HB3 ARG 27 + HD3 ARG 27 OK 28 29 95 100 2.0-4.1 3.5=96, 4.1/5382=13...(49) HB2 ARG 27 + HD3 ARG 27 OK 27 28 95 100 2.3-4.2 3.5=96, 4.1/5382=13...(49) HB3 ARG 27 + HD2 ARG 27 OK 25 29 85 100 2.4-4.2 3.5=96, 4.1/5382=12...(49) HB2 ARG 27 + HD2 ARG 27 OK 24 28 85 100 2.2-4.2 3.5=96, 4.1/5382=12...(49) HB2 ARG 71 - HD3 ARG 71 poor 13 36 35 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 7 44 15 - 3.3-7.3 HB2 ARG 66 - HD2 ARG 70 far 4 89 5 - 3.5-8.6 HB2 ARG 26 - HD2 ARG 27 far 2 44 5 - 3.0-8.0 HB3 ARG 23 - HD2 ARG 27 far 1 22 5 - 3.5-7.5 HB3 ARG 26 - HD3 ARG 27 far 0 44 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 44 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 38 0 - 4.2-9.8 HB2 ARG 66 - HD3 ARG 70 far 0 92 0 - 4.2-8.3 HB3 ARG 23 - HD3 ARG 27 far 0 22 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 21 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 38 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 26 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 21 0 - 4.8-9.7 HB2 ARG 27 - HD2 ARG 26 far 0 33 0 - 5.3-9.0 HB3 ARG 71 - HD3 ARG 70 far 0 66 0 - 5.3-9.6 HB2 ARG 71 - HD3 ARG 70 far 0 64 0 - 5.3-8.6 HB3 ARG 26 - HD2 ARG 23 far 0 38 0 - 5.5-10.6 HB3 ARG 71 - HD2 ARG 70 far 0 63 0 - 5.5-9.4 HB2 ARG 23 - HD2 ARG 26 far 0 25 0 - 5.5-9.4 HB3 PRO 14 - HD3 ARG 17 far 0 27 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 30 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 38 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 39 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 29 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 28 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 28 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 27 0 - 6.1-9.0 HB2 ARG 71 - HD2 ARG 70 far 0 61 0 - 6.2-8.9 HB2 ARG 27 - HD3 ARG 71 far 0 36 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 37 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 34 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 29 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 30 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 30 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 34 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 25 0 - 6.8-9.8 HB3 PRO 14 - HD2 ARG 17 far 0 27 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 24 0 - 6.8-11.8 HB2 ARG 23 - HD3 ARG 71 far 0 27 0 - 6.8-14.5 HB3 ARG 26 - HD2 ARG 17 far 0 29 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 30 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 24 0 - 6.9-10.6 HB3 ARG 23 - HD3 ARG 71 far 0 29 0 - 7.0-12.9 HB3 ARG 71 - HD2 ARG 23 far 0 25 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 25 0 - 7.3-12.6 HB ILE 68 - HD3 ARG 70 far 0 69 0 - 7.5-10.9 HB3 PRO 14 - HD3 ARG 26 far 0 48 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 35 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 29 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 81 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 29 0 - 7.8-18.9 HB ILE 68 - HD2 ARG 70 far 0 65 0 - 8.1-10.9 HB ILE 68 - HD3 ARG 66 far 0 80 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 24 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 25 0 - 8.3-11.9 HB3 ARG 27 - HD2 ARG 23 far 0 25 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 24 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 29 0 - 8.4-20.2 HB3 PRO 14 - HD2 ARG 26 far 0 47 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 40 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 56 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 56 0 - 9.3-12.4 HG12 ILE 40 - HD3 ARG 71 far 0 27 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 60 0 - 9.6-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.82 A increased from 3.40 A): 6 out of 32 assignments used, quality = 1.00: * HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.6-3.8 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 85 100 85 100 2.4-4.2 3.4=100 HB3 ARG 70 + HD3 ARG 70 OK 83 83 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 80 80 100 100 2.5-3.7 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 79 83 95 100 2.2-4.2 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 68 80 85 100 2.3-4.2 3.5=100 HB2 ARG 70 - HD3 ARG 71 far 5 49 10 - 3.6-8.5 HG13 ILE 68 - HD2 ARG 27 far 0 34 0 - 4.2-7.9 HB3 ARG 70 - HD3 ARG 71 far 0 49 0 - 4.2-9.1 HG13 ILE 68 - HD3 ARG 27 far 0 34 0 - 4.3-8.0 HB3 ARG 66 - HD2 ARG 70 far 0 89 0 - 5.0-9.9 HG13 ILE 68 - HD3 ARG 71 far 0 43 0 - 5.2-9.1 HB3 ARG 66 - HD3 ARG 70 far 0 92 0 - 5.3-9.6 HB2 MET 31 - HD3 ARG 27 far 0 43 0 - 5.4-9.3 HB3 ARG 70 - HD2 ARG 66 far 0 95 0 - 6.2-11.3 HB2 MET 31 - HD2 ARG 27 far 0 43 0 - 6.4-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 95 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 94 0 - 7.2-10.2 HG13 ILE 68 - HD3 ARG 70 far 0 75 0 - 7.2-10.8 HB3 ARG 70 - HD3 ARG 66 far 0 94 0 - 7.5-11.0 HB VAL 41 - HD3 ARG 71 far 0 50 0 - 7.8-12.9 HB2 MET 31 - HD3 ARG 17 far 0 29 0 - 7.9-22.5 HG13 ILE 68 - HD2 ARG 70 far 0 71 0 - 8.0-11.2 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 8.8-10.5 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 9.1-10.4 HB VAL 41 - HD2 ARG 70 far 0 81 0 - 9.1-13.4 HB2 MET 31 - HD2 ARG 17 far 0 29 0 - 9.2-21.1 HB3 ARG 66 - HD3 ARG 71 far 0 56 0 - 9.2-12.7 HB3 ARG 70 - HD3 ARG 27 far 0 39 0 - 9.3-15.6 HB2 ARG 70 - HD2 ARG 27 far 0 39 0 - 9.8-15.3 HB3 ARG 66 - HD2 ARG 27 far 0 45 0 - 9.9-13.4 HB3 ARG 66 - HD3 ARG 27 far 0 45 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (2.01, 3.19, 43.48 ppm; 3.63 A): 2 out of 26 assignments used, quality = 1.00: * HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 69 - HD3 ARG 70 far 0 71 0 - 4.2-8.6 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 4.2-9.8 HD2 ARG 69 - HD2 ARG 70 far 0 67 0 - 4.3-10.4 HD3 ARG 69 - HD2 ARG 70 far 0 67 0 - 4.5-9.0 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 4.6-9.1 HD2 ARG 69 - HD3 ARG 70 far 0 71 0 - 4.8-9.9 HD2 ARG 69 - HD3 ARG 66 far 0 83 0 - 4.8-9.6 HD3 ARG 69 - HD3 ARG 66 far 0 83 0 - 5.0-9.1 QE MET 31 - HD3 ARG 27 far 0 30 0 - 5.9-9.2 HB3 GLU 19 - HD3 ARG 26 far 0 27 0 - 6.3-16.2 QE MET 31 - HD2 ARG 27 far 0 30 0 - 6.3-9.3 HG2 ARG 66 - HD2 ARG 70 far 0 89 0 - 6.4-11.5 HG3 PRO 14 - HD3 ARG 26 far 0 30 0 - 6.9-27.8 HG2 ARG 66 - HD3 ARG 70 far 0 92 0 - 7.1-11.0 HB3 GLU 19 - HD2 ARG 26 far 0 26 0 - 7.4-16.7 HG2 PRO 14 - HD3 ARG 26 far 0 30 0 - 7.6-26.2 HD3 ARG 69 - HD3 ARG 71 far 0 40 0 - 8.3-12.3 HG3 PRO 14 - HD2 ARG 26 far 0 29 0 - 8.5-27.8 QE MET 31 - HD2 ARG 66 far 0 81 0 - 8.8-11.3 QE MET 31 - HD3 ARG 66 far 0 80 0 - 8.8-11.2 HD2 ARG 69 - HD3 ARG 71 far 0 40 0 - 9.0-12.9 HG2 PRO 14 - HD2 ARG 26 far 0 29 0 - 9.3-26.2 HG3 PRO 14 - HD3 ARG 27 far 0 24 0 - 9.8-31.9 QE MET 31 - HD2 ARG 26 far 0 36 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (1.70, 3.19, 43.48 ppm; 3.18 A): 6 out of 37 assignments used, quality = 1.00: * HG3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 83 83 100 100 2.3-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 ARG 23 + HD3 ARG 23 OK 22 22 100 100 2.3-3.0 2.9=100 HG2 ARG 23 + HD2 ARG 23 OK 22 22 100 100 2.3-3.0 2.9=100 HG2 ARG 70 - HD3 ARG 71 far 2 49 5 - 3.1-8.9 HG LEU 29 - HD3 ARG 26 far 0 36 0 - 3.7-6.8 HG2 ARG 23 - HD2 ARG 26 far 0 30 0 - 3.8-9.2 HG LEU 29 - HD2 ARG 26 far 0 36 0 - 4.0-7.3 HB3 LEU 64 - HD2 ARG 27 far 0 45 0 - 4.5-7.9 HB3 LEU 64 - HD3 ARG 27 far 0 45 0 - 4.8-8.3 HG2 ARG 23 - HD3 ARG 27 far 0 26 0 - 4.8-10.7 HB2 LEU 29 - HD3 ARG 26 far 0 36 0 - 5.1-8.6 HG2 ARG 70 - HD2 ARG 66 far 0 95 0 - 5.3-11.4 HB2 LEU 29 - HD2 ARG 26 far 0 36 0 - 5.4-9.7 HG2 ARG 70 - HD3 ARG 66 far 0 94 0 - 5.5-10.9 HG2 ARG 23 - HD3 ARG 26 far 0 31 0 - 5.5-8.9 HG3 ARG 66 - HD2 ARG 70 far 0 89 0 - 5.6-10.4 HG2 ARG 23 - HD2 ARG 27 far 0 26 0 - 5.7-9.9 HG LEU 29 - HD2 ARG 27 far 0 30 0 - 6.1-8.8 HG LEU 29 - HD3 ARG 27 far 0 30 0 - 6.1-9.2 HG3 ARG 66 - HD3 ARG 70 far 0 92 0 - 6.5-10.3 HB3 LYS 13 - HD3 ARG 17 far 0 25 0 - 7.6-17.8 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 8.2-10.7 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 8.2-10.4 HG2 ARG 70 - HD3 ARG 27 far 0 39 0 - 8.7-14.9 HB3 LEU 64 - HD3 ARG 71 far 0 56 0 - 8.7-12.8 HB2 LEU 29 - HD3 ARG 27 far 0 30 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 30 0 - 8.7-11.5 HG2 ARG 23 - HD3 ARG 71 far 0 33 0 - 8.8-13.8 HG2 ARG 70 - HD2 ARG 27 far 0 39 0 - 8.8-14.8 HG LEU 29 - HD2 ARG 23 far 0 26 0 - 8.9-13.3 HG LEU 29 - HD3 ARG 23 far 0 26 0 - 9.4-12.7 HB3 LYS 13 - HD2 ARG 17 far 0 25 0 - 9.4-16.8 HB3 LEU 64 - HD3 ARG 70 far 0 92 0 - 9.4-13.9 HB2 LEU 43 - HD2 ARG 66 far 0 60 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 2720 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 11 out of 11 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 HD2 ARG 27 + HD2 ARG 27 OK 31 31 - 100 HD3 ARG 27 + HD3 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 Peak 2721 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 11 out of 11 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 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 HD2 ARG 27 + HD2 ARG 27 OK 34 34 - 100 HD3 ARG 27 + HD3 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 Reference assignment not found: HD3 ARG 66 - HD2 ARG 66 Peak 2723 from cnoeabs.peaks (3.98, 3.19, 43.48 ppm; 5.25 A): 4 out of 43 assignments used, quality = 1.00: * HA ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.6-4.7 5.2=100 HA ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-4.8 5.2=100 HA ARG 70 + HD3 ARG 70 OK 57 57 100 100 2.1-5.5 5.3=97, 2844/3.0=64...(18) HA ARG 70 + HD2 ARG 70 OK 53 53 100 100 2.2-5.0 5.3=97, 2844/3.0=64...(19) HA ARG 66 - HD2 ARG 70 far 13 85 15 - 4.9-9.3 HA2 GLY 72 - HD3 ARG 71 poor 9 46 20 - 3.9-8.5 HA ARG 66 - HD3 ARG 70 far 4 89 5 - 5.3-8.8 HA LYS 32 - HD2 ARG 17 far 3 33 10 - 4.4-19.9 HA LYS 32 - HD3 ARG 17 far 2 33 5 - 3.6-20.3 HA2 GLY 21 - HD3 ARG 26 far 2 32 5 - 5.3-11.5 HA2 GLY 21 - HD2 ARG 26 far 2 32 5 - 4.8-10.9 HA ALA 28 - HD3 ARG 27 far 0 35 0 - 5.6-8.0 HA ARG 70 - HD3 ARG 71 far 0 32 0 - 5.7-8.5 HA3 GLY 21 - HD3 ARG 26 far 0 31 0 - 5.8-11.9 HA3 GLY 21 - HD2 ARG 26 far 0 30 0 - 6.2-10.8 HA ALA 28 - HD2 ARG 27 far 0 35 0 - 6.3-7.9 HA2 GLY 21 - HD2 ARG 23 far 0 24 0 - 7.1-11.2 HA ALA 28 - HD3 ARG 17 far 0 24 0 - 7.2-20.6 HA2 GLY 72 - HD2 ARG 70 far 0 74 0 - 7.2-11.1 HA2 GLY 72 - HD3 ARG 70 far 0 78 0 - 7.2-10.4 HA3 GLY 21 - HD2 ARG 23 far 0 23 0 - 7.3-11.3 HA2 GLY 21 - HD3 ARG 23 far 0 24 0 - 7.3-12.0 HA GLN 61 - HD3 ARG 27 far 0 42 0 - 7.6-11.5 HA ARG 70 - HD2 ARG 66 far 0 71 0 - 7.8-11.3 HA3 GLY 21 - HD3 ARG 23 far 0 23 0 - 7.9-11.4 HA GLN 61 - HD2 ARG 27 far 0 42 0 - 8.0-11.1 HA ARG 70 - HD3 ARG 66 far 0 71 0 - 8.2-11.1 HA GLN 61 - HD2 ARG 66 far 0 95 0 - 8.5-11.5 HA ALA 28 - HD3 ARG 26 far 0 41 0 - 8.5-10.9 HA GLN 61 - HD3 ARG 66 far 0 96 0 - 8.5-11.3 HA2 GLY 72 - HD2 ARG 27 far 0 40 0 - 8.6-14.2 HA ALA 28 - HD2 ARG 26 far 0 40 0 - 8.7-10.8 HA2 GLY 72 - HD3 ARG 27 far 0 40 0 - 8.8-14.0 HA ALA 28 - HD2 ARG 17 far 0 24 0 - 8.8-19.1 HA GLU 50 - HD3 ARG 66 far 0 95 0 - 9.2-12.4 HA ARG 66 - HD3 ARG 71 far 0 54 0 - 9.6-11.7 HA LYS 32 - HD3 ARG 26 far 0 55 0 - 9.7-13.2 HA LYS 32 - HD3 ARG 27 far 0 48 0 - 9.8-12.9 HA VAL 76 - HD3 ARG 71 far 0 51 0 - 9.8-14.6 HA GLU 50 - HD2 ARG 66 far 0 94 0 - 9.8-12.9 HA ALA 28 - HD3 ARG 71 far 0 40 0 - 9.9-15.3 HA2 GLY 72 - HD3 ARG 23 far 0 35 0 - 9.9-14.9 HA2 GLY 21 - HD2 ARG 27 far 0 28 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (1.88, 3.19, 43.48 ppm; 3.49 A increased from 2.94 A): 12 out of 81 assignments used, quality = 1.00: * HB2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.4-3.7 3.4=100 HB2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.1-3.8 3.4=100 HB3 ARG 26 + HD3 ARG 26 OK 54 54 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 51 54 95 100 2.2-4.2 3.5=100 HB3 ARG 26 + HD2 ARG 26 OK 51 53 95 100 2.1-3.8 3.5=100 HB2 ARG 26 + HD3 ARG 26 OK 38 55 70 100 2.2-4.2 3.5=100 HB3 ARG 71 + HD3 ARG 71 OK 30 36 85 100 2.2-4.2 3.5=96, ~2937=28...(34) HB3 ARG 27 + HD3 ARG 27 OK 30 31 95 100 2.0-4.1 3.5=96, 4.1/5382=13...(49) HB2 ARG 27 + HD3 ARG 27 OK 28 30 95 100 2.3-4.2 3.5=96, 4.1/5382=13...(49) HB3 ARG 27 + HD2 ARG 27 OK 26 31 85 100 2.4-4.2 3.5=96, 4.1/5382=12...(49) HB2 ARG 27 + HD2 ARG 27 OK 25 30 85 100 2.2-4.2 3.5=96, 4.1/5382=12...(49) HB3 ARG 23 + HD3 ARG 23 OK 20 20 100 99 2.1-3.8 3.5=96, ~1264=19...(23) HB3 ARG 23 - HD2 ARG 23 poor 15 20 75 - 2.2-4.2 HB2 ARG 71 - HD3 ARG 71 poor 12 35 35 - 2.8-4.2 HB2 ARG 26 - HD3 ARG 27 far 7 47 15 - 3.3-7.3 HB2 ARG 66 - HD2 ARG 70 far 4 85 5 - 3.5-8.6 HB2 ARG 26 - HD2 ARG 27 far 2 47 5 - 3.0-8.0 HB3 ARG 23 - HD2 ARG 27 far 1 24 5 - 3.5-7.5 HB3 ARG 26 - HD3 ARG 27 far 0 47 0 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 47 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.2-9.8 HB2 ARG 66 - HD3 ARG 70 far 0 89 0 - 4.2-8.3 HB3 ARG 23 - HD3 ARG 27 far 0 24 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 23 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 41 0 - 4.5-9.7 HB3 ARG 23 - HD2 ARG 26 far 0 27 0 - 4.7-8.8 HB2 ARG 23 - HD3 ARG 27 far 0 23 0 - 4.8-9.7 HB2 ARG 27 - HD2 ARG 26 far 0 35 0 - 5.3-9.0 HB3 ARG 71 - HD3 ARG 70 far 0 63 0 - 5.3-9.6 HB2 ARG 71 - HD3 ARG 70 far 0 61 0 - 5.3-8.6 HB3 ARG 26 - HD2 ARG 23 far 0 41 0 - 5.5-10.6 HB3 ARG 71 - HD2 ARG 70 far 0 60 0 - 5.5-9.4 HB2 ARG 23 - HD2 ARG 26 far 0 26 0 - 5.5-9.4 HB3 PRO 14 - HD3 ARG 17 far 0 30 0 - 5.6-14.2 HB3 PRO 34 - HD2 ARG 17 far 0 33 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 41 0 - 5.8-10.2 HB ILE 68 - HD3 ARG 71 far 0 37 0 - 5.8-9.7 HB3 ARG 71 - HD2 ARG 27 far 0 31 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 30 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 30 0 - 6.1-11.3 HB3 ARG 23 - HD3 ARG 26 far 0 28 0 - 6.1-9.0 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 6.2-8.9 HB2 ARG 27 - HD3 ARG 71 far 0 35 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 36 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 35 0 - 6.3-9.1 HB3 ARG 71 - HD3 ARG 27 far 0 31 0 - 6.4-11.2 HB ILE 68 - HD2 ARG 27 far 0 33 0 - 6.5-10.3 HB ILE 68 - HD3 ARG 27 far 0 33 0 - 6.6-10.3 HB3 ARG 27 - HD2 ARG 26 far 0 36 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 27 0 - 6.8-9.8 HB3 PRO 14 - HD2 ARG 17 far 0 30 0 - 6.8-15.4 HB2 ARG 27 - HD2 ARG 23 far 0 26 0 - 6.8-11.8 HB2 ARG 23 - HD3 ARG 71 far 0 26 0 - 6.8-14.5 HB3 ARG 26 - HD2 ARG 17 far 0 32 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 33 0 - 6.9-21.1 HB2 ARG 27 - HD3 ARG 23 far 0 26 0 - 6.9-10.6 HB3 ARG 23 - HD3 ARG 71 far 0 27 0 - 7.0-12.9 HB3 ARG 71 - HD2 ARG 23 far 0 27 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 27 0 - 7.3-12.6 HB ILE 68 - HD3 ARG 70 far 0 65 0 - 7.5-10.9 HB3 PRO 14 - HD3 ARG 26 far 0 50 0 - 7.6-28.8 HB3 ARG 27 - HD3 ARG 26 far 0 37 0 - 7.6-9.8 HB3 ARG 26 - HD3 ARG 17 far 0 32 0 - 7.7-20.2 HB ILE 68 - HD2 ARG 66 far 0 80 0 - 7.7-9.9 HB2 ARG 26 - HD2 ARG 17 far 0 33 0 - 7.8-18.9 HB ILE 68 - HD2 ARG 70 far 0 62 0 - 8.1-10.9 HB ILE 68 - HD3 ARG 66 far 0 81 0 - 8.1-9.9 HB2 ARG 71 - HD3 ARG 23 far 0 26 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 27 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 22 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 27 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 26 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 33 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 22 0 - 8.5-24.0 HB3 PRO 14 - HD2 ARG 26 far 0 49 0 - 9.0-28.8 HB3 PRO 14 - HD3 ARG 27 far 0 43 0 - 9.2-31.3 HB2 ARG 26 - HD3 ARG 71 far 0 54 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 54 0 - 9.3-12.4 HG12 ILE 40 - HD3 ARG 71 far 0 26 0 - 9.6-14.2 HG12 ILE 40 - HD2 ARG 66 far 0 60 0 - 9.6-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 76 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (1.94, 3.19, 43.48 ppm; 3.82 A increased from 3.40 A): 6 out of 32 assignments used, quality = 1.00: HB3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.6-3.8 3.4=100 * HB3 ARG 66 + HD3 ARG 66 OK 85 100 85 100 2.4-4.2 3.4=100 HB3 ARG 70 + HD3 ARG 70 OK 80 80 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 76 76 100 100 2.5-3.7 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 76 80 95 100 2.2-4.2 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 64 76 85 100 2.3-4.2 3.5=100 HB2 ARG 70 - HD3 ARG 71 far 5 47 10 - 3.6-8.5 HG13 ILE 68 - HD2 ARG 27 far 0 36 0 - 4.2-7.9 HB3 ARG 70 - HD3 ARG 71 far 0 47 0 - 4.2-9.1 HG13 ILE 68 - HD3 ARG 27 far 0 36 0 - 4.3-8.0 HB3 ARG 66 - HD2 ARG 70 far 0 85 0 - 5.0-9.9 HG13 ILE 68 - HD3 ARG 71 far 0 41 0 - 5.2-9.1 HB3 ARG 66 - HD3 ARG 70 far 0 89 0 - 5.3-9.6 HB2 MET 31 - HD3 ARG 27 far 0 46 0 - 5.4-9.3 HB3 ARG 70 - HD2 ARG 66 far 0 94 0 - 6.2-11.3 HB2 MET 31 - HD2 ARG 27 far 0 46 0 - 6.4-9.5 HB2 ARG 70 - HD2 ARG 66 far 0 94 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 95 0 - 7.2-10.2 HG13 ILE 68 - HD3 ARG 70 far 0 71 0 - 7.2-10.8 HB3 ARG 70 - HD3 ARG 66 far 0 95 0 - 7.5-11.0 HB VAL 41 - HD3 ARG 71 far 0 48 0 - 7.8-12.9 HB2 MET 31 - HD3 ARG 17 far 0 32 0 - 7.9-22.5 HG13 ILE 68 - HD2 ARG 70 far 0 68 0 - 8.0-11.2 HG13 ILE 68 - HD2 ARG 66 far 0 87 0 - 8.8-10.5 HG13 ILE 68 - HD3 ARG 66 far 0 87 0 - 9.1-10.4 HB VAL 41 - HD2 ARG 70 far 0 77 0 - 9.1-13.4 HB2 MET 31 - HD2 ARG 17 far 0 32 0 - 9.2-21.1 HB3 ARG 66 - HD3 ARG 71 far 0 54 0 - 9.2-12.7 HB3 ARG 70 - HD3 ARG 27 far 0 41 0 - 9.3-15.6 HB2 ARG 70 - HD2 ARG 27 far 0 41 0 - 9.8-15.3 HB3 ARG 66 - HD2 ARG 27 far 0 48 0 - 9.9-13.4 HB3 ARG 66 - HD3 ARG 27 far 0 48 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2726 from cnoeabs.peaks (2.01, 3.19, 43.48 ppm; 3.63 A): 2 out of 27 assignments used, quality = 1.00: * HG2 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 69 - HD3 ARG 70 far 0 67 0 - 4.2-8.6 HD3 ARG 69 - HD2 ARG 66 far 0 83 0 - 4.2-9.8 HD2 ARG 69 - HD2 ARG 70 far 0 64 0 - 4.3-10.4 HD3 ARG 69 - HD2 ARG 70 far 0 64 0 - 4.5-9.0 HD2 ARG 69 - HD2 ARG 66 far 0 83 0 - 4.6-9.1 HD2 ARG 69 - HD3 ARG 70 far 0 67 0 - 4.8-9.9 HD2 ARG 69 - HD3 ARG 66 far 0 83 0 - 4.8-9.6 HD3 ARG 69 - HD3 ARG 66 far 0 83 0 - 5.0-9.1 QE MET 31 - HD3 ARG 27 far 0 33 0 - 5.9-9.2 HB3 GLU 19 - HD3 ARG 26 far 0 28 0 - 6.3-16.2 QE MET 31 - HD2 ARG 27 far 0 33 0 - 6.3-9.3 HG2 ARG 66 - HD2 ARG 70 far 0 85 0 - 6.4-11.5 HG3 PRO 14 - HD3 ARG 26 far 0 31 0 - 6.9-27.8 HG2 ARG 66 - HD3 ARG 70 far 0 89 0 - 7.1-11.0 HB3 GLU 19 - HD2 ARG 26 far 0 27 0 - 7.4-16.7 HG2 PRO 14 - HD3 ARG 26 far 0 31 0 - 7.6-26.2 HD3 ARG 69 - HD3 ARG 71 far 0 39 0 - 8.3-12.3 HG3 PRO 14 - HD2 ARG 26 far 0 30 0 - 8.5-27.8 QE MET 31 - HD2 ARG 66 far 0 80 0 - 8.8-11.3 QE MET 31 - HD3 ARG 66 far 0 81 0 - 8.8-11.2 HD2 ARG 69 - HD3 ARG 71 far 0 39 0 - 9.0-12.9 HG2 PRO 14 - HD2 ARG 26 far 0 30 0 - 9.3-26.2 QE MET 31 - HD3 ARG 17 far 0 22 0 - 9.5-22.1 HG3 PRO 14 - HD3 ARG 27 far 0 26 0 - 9.8-31.9 QE MET 31 - HD2 ARG 26 far 0 37 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2727 from cnoeabs.peaks (1.70, 3.19, 43.48 ppm; 3.18 A): 6 out of 41 assignments used, quality = 1.00: * HG3 ARG 66 + HD3 ARG 66 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 76 76 100 100 2.3-3.0 3.0=100 HG2 ARG 23 + HD3 ARG 23 OK 24 24 100 100 2.3-3.0 2.9=100 HG2 ARG 23 + HD2 ARG 23 OK 24 24 100 100 2.3-3.0 2.9=100 HG2 ARG 70 - HD3 ARG 71 far 2 47 5 - 3.1-8.9 HG LEU 29 - HD3 ARG 26 far 0 38 0 - 3.7-6.8 HG2 ARG 23 - HD2 ARG 26 far 0 32 0 - 3.8-9.2 HG LEU 29 - HD2 ARG 26 far 0 37 0 - 4.0-7.3 HB3 LEU 64 - HD2 ARG 27 far 0 48 0 - 4.5-7.9 HB3 LEU 64 - HD3 ARG 27 far 0 48 0 - 4.8-8.3 HG2 ARG 23 - HD3 ARG 27 far 0 28 0 - 4.8-10.7 HB2 LEU 29 - HD3 ARG 26 far 0 38 0 - 5.1-8.6 HB2 LEU 29 - HD3 ARG 17 far 0 22 0 - 5.3-18.8 HG2 ARG 70 - HD2 ARG 66 far 0 94 0 - 5.3-11.4 HB2 LEU 29 - HD2 ARG 26 far 0 37 0 - 5.4-9.7 HG2 ARG 70 - HD3 ARG 66 far 0 95 0 - 5.5-10.9 HG2 ARG 23 - HD3 ARG 26 far 0 32 0 - 5.5-8.9 HG3 ARG 66 - HD2 ARG 70 far 0 85 0 - 5.6-10.4 HB2 LEU 29 - HD2 ARG 17 far 0 22 0 - 5.7-18.1 HG2 ARG 23 - HD2 ARG 27 far 0 28 0 - 5.7-9.9 HG LEU 29 - HD2 ARG 27 far 0 33 0 - 6.1-8.8 HG LEU 29 - HD3 ARG 27 far 0 33 0 - 6.1-9.2 HG3 ARG 66 - HD3 ARG 70 far 0 89 0 - 6.5-10.3 HG LEU 29 - HD3 ARG 17 far 0 22 0 - 6.9-18.2 HG LEU 29 - HD2 ARG 17 far 0 22 0 - 7.5-17.3 HB3 LYS 13 - HD3 ARG 17 far 0 28 0 - 7.6-17.8 HB3 LEU 64 - HD3 ARG 66 far 0 100 0 - 8.2-10.7 HB3 LEU 64 - HD2 ARG 66 far 0 100 0 - 8.2-10.4 HG2 ARG 70 - HD3 ARG 27 far 0 41 0 - 8.7-14.9 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 8.7-12.8 HB2 LEU 29 - HD3 ARG 27 far 0 33 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 33 0 - 8.7-11.5 HG2 ARG 23 - HD3 ARG 71 far 0 32 0 - 8.8-13.8 HG2 ARG 70 - HD2 ARG 27 far 0 41 0 - 8.8-14.8 HG LEU 29 - HD2 ARG 23 far 0 28 0 - 8.9-13.3 HG LEU 29 - HD3 ARG 23 far 0 28 0 - 9.4-12.7 HB3 LYS 13 - HD2 ARG 17 far 0 28 0 - 9.4-16.8 HB3 LEU 64 - HD3 ARG 70 far 0 88 0 - 9.4-13.9 HB2 LEU 43 - HD2 ARG 66 far 0 60 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 2728 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 11 out of 11 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 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 HD2 ARG 27 + HD2 ARG 27 OK 34 34 - 100 HD3 ARG 27 + HD3 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 Reference assignment not found: HD2 ARG 66 - HD3 ARG 66 Peak 2729 from cnoeabs.peaks (3.19, 3.19, 43.48 ppm; diagonal): 11 out of 11 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 HD2 ARG 27 + HD2 ARG 27 OK 36 36 - 100 HD3 ARG 27 + HD3 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 Peak 2730 from cnoeabs.peaks (7.93, 4.48, 57.73 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 67 + HA ASP 67 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 70 + HA ASP 67 OK 70 78 100 89 3.2-3.7 4792=48, 4.9/5049=22...(11) Violated in 0 structures by 0.00 A. 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; 3.16 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 67 + HA ASP 67 OK 100 100 100 100 2.6-2.8 3.0=100 HB2 ASN 49 + HA ASP 46 OK 81 90 100 90 3.0-3.0 4488=39, 647/4489=31...(9) HB3 PHE 48 - HA ASP 46 far 0 76 0 - 6.5-6.7 Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (2.84, 4.48, 57.73 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 67 + HA ASP 67 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 ASN 74 - HA ASP 67 far 0 65 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (7.93, 2.90, 41.70 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 67 + HB2 ASP 67 OK 100 100 100 100 2.1-2.4 749=100, 750/1.8=76...(8) H ARG 70 - HB2 ASP 67 far 0 78 0 - 5.5-6.1 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (4.48, 2.90, 41.70 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 67 + HB2 ASP 67 OK 100 100 100 100 2.6-2.8 3.0=100 HA ASP 24 - HB2 ASP 67 far 0 97 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. 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; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 67 + HB2 ASP 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (7.93, 2.84, 41.70 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 67 + HB3 ASP 67 OK 100 100 100 100 2.7-3.2 750=100, 749/1.8=82...(7) H ARG 70 - HB3 ASP 67 far 0 78 0 - 5.1-5.8 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (4.48, 2.84, 41.70 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 67 + HB3 ASP 67 OK 100 100 100 100 2.9-3.0 3.0=100 HA ASP 24 - HB3 ASP 67 far 0 97 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (2.90, 2.84, 41.70 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 67 + HB3 ASP 67 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H ILE 68 + HA ILE 68 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 68 + HA ILE 68 OK 100 100 100 100 3.0-3.0 3.0=100 HG13 ILE 68 + HA ILE 68 OK 65 65 100 100 2.6-2.9 1.8/2746=72, 4.0=65...(16) HG12 ILE 40 - HA ILE 68 far 0 99 0 - 7.4-7.8 HB2 ARG 66 - HA ILE 68 far 0 81 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (0.81, 3.51, 65.41 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 68 + HA ILE 68 OK 100 100 100 100 2.3-2.4 3.2=100 QD1 ILE 68 - HA ILE 68 far 0 63 0 - 3.8-3.9 QG1 VAL 41 - HA ILE 68 far 0 95 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (0.92, 3.51, 65.41 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.99: * HG12 ILE 68 + HA ILE 68 OK 99 100 100 99 2.5-2.8 2764=66, 755/3.0=51...(16) QG2 VAL 41 - HA ILE 68 far 0 93 0 - 3.9-4.8 QG2 ILE 40 - HA ILE 68 far 0 98 0 - 4.4-4.9 QG2 VAL 76 - HA ILE 68 far 0 100 0 - 7.8-12.6 QG1 VAL 76 - HA ILE 68 far 0 100 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (1.92, 3.51, 65.41 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 68 + HA ILE 68 OK 100 100 100 100 2.6-2.9 1.8/2746=72, 4.0=65...(16) HB ILE 68 + HA ILE 68 OK 65 65 100 100 3.0-3.0 3.0=100 HB VAL 41 - HA ILE 68 far 0 99 0 - 7.1-8.2 HG12 ILE 40 - HA ILE 68 far 0 85 0 - 7.4-7.8 HB3 ARG 66 - HA ILE 68 far 0 87 0 - 7.8-8.0 HB2 MET 31 - HA ILE 68 far 0 96 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (0.78, 3.51, 65.41 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.63: QG2 ILE 68 + HA ILE 68 OK 63 63 100 100 2.3-2.4 3.2=100 ! QD1 ILE 68 - HA ILE 68 far 0 100 0 - 3.8-3.9 QG1 VAL 41 - HA ILE 68 far 0 92 0 - 5.8-6.9 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (8.44, 1.90, 38.07 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HB ILE 68 OK 100 100 100 100 2.5-2.6 3.9=84, 754/3.2=58...(14) Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (3.51, 1.90, 38.07 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + HB ILE 68 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 68 + HB ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 68 + HB ILE 68 OK 63 63 100 100 2.2-2.4 3.2=96, 754/2749=37...(17) QG1 VAL 41 - HB ILE 68 far 0 95 0 - 6.3-7.2 QD1 LEU 43 - HB ILE 68 far 0 81 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (0.92, 1.90, 38.07 ppm; 3.61 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 68 + HB ILE 68 OK 100 100 100 100 3.0-3.0 2.9=100 QG2 ILE 40 + HB ILE 68 OK 98 98 100 100 2.3-3.1 4298/2.1=77, 292/290=53...(19) QG2 VAL 41 - HB ILE 68 far 0 93 0 - 3.9-4.7 QD2 LEU 62 - HB ILE 68 far 0 98 0 - 8.4-10.0 QG2 VAL 76 - HB ILE 68 far 0 100 0 - 8.6-13.4 HG LEU 51 - HB ILE 68 far 0 60 0 - 8.8-10.4 QG1 VAL 76 - HB ILE 68 far 0 100 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. 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; 3.29 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HB ILE 68 OK 100 100 100 100 2.2-2.4 3.2=100 QG2 ILE 68 + HB ILE 68 OK 63 63 100 100 2.1-2.1 2.1=100 QG1 VAL 41 - HB ILE 68 far 0 92 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (8.44, 0.81, 17.06 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 68 + QG2 ILE 68 OK 100 100 100 100 3.8-3.8 4.0=100 H ALA 20 - QG2 ILE 68 far 0 92 0 - 9.3-15.7 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (3.51, 0.81, 17.06 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + QG2 ILE 68 OK 100 100 100 100 2.3-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (1.90, 0.81, 17.06 ppm; 3.16 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 68 + QG2 ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 68 + QG2 ILE 68 OK 65 65 100 100 3.1-3.2 3.2=97, 1.8/2760=30...(13) HG12 ILE 40 - QG2 ILE 68 far 0 99 0 - 3.7-4.2 HB2 GLU 19 - QG2 ILE 68 far 0 95 0 - 7.4-17.0 HB2 ARG 66 - QG2 ILE 68 far 0 81 0 - 7.9-8.1 HB2 ARG 26 - QG2 ILE 68 far 0 89 0 - 8.1-10.1 HB3 ARG 26 - QG2 ILE 68 far 0 90 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HG12 ILE 68 + QG2 ILE 68 OK 94 100 100 94 2.2-2.4 3.2=63, 2746/3.2=30...(14) QG2 ILE 40 + QG2 ILE 68 OK 91 98 95 98 2.4-3.0 4298=64, 3.0/5249=33...(25) QG2 VAL 41 + QG2 ILE 68 OK 72 93 100 77 2.0-2.9 1982=35, 5130/4751=21...(15) QG1 VAL 76 - QG2 ILE 68 far 0 100 0 - 6.1-8.4 QG2 VAL 76 - QG2 ILE 68 far 0 100 0 - 6.1-10.3 QD2 LEU 43 - QG2 ILE 68 far 0 73 0 - 8.1-8.9 HG LEU 51 - QG2 ILE 68 far 0 60 0 - 8.3-9.5 QD2 LEU 62 - QG2 ILE 68 far 0 98 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (1.92, 0.81, 17.06 ppm; 3.23 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 68 + QG2 ILE 68 OK 100 100 100 100 3.1-3.2 3.2=100 HB ILE 68 + QG2 ILE 68 OK 65 65 100 100 2.1-2.1 2.1=100 HG12 ILE 40 - QG2 ILE 68 far 0 85 0 - 3.7-4.2 HB VAL 41 - QG2 ILE 68 far 0 99 0 - 4.3-5.3 HB2 GLU 19 - QG2 ILE 68 far 0 93 0 - 7.4-17.0 HB2 MET 31 - QG2 ILE 68 far 0 96 0 - 7.5-8.3 HB3 ARG 66 - QG2 ILE 68 far 0 87 0 - 7.8-7.9 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H ILE 68 + HG12 ILE 68 OK 100 100 100 100 3.4-3.7 755=100, 754/2.1=91...(11) Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (3.51, 0.92, 28.80 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.5-2.8 2746=100, 3.0/755=66...(16) Violated in 0 structures by 0.00 A. Peak 2765 from cnoeabs.peaks (1.90, 0.92, 28.80 ppm; 3.42 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 68 + HG12 ILE 68 OK 100 100 100 100 3.0-3.0 2.9=100 HG13 ILE 68 + HG12 ILE 68 OK 65 65 100 100 1.8-1.8 1.8=100 HG12 ILE 40 - HG12 ILE 68 far 0 99 0 - 6.3-7.4 HB2 ARG 26 - HG12 ILE 68 far 0 89 0 - 8.3-10.2 HB2 ARG 66 - HG12 ILE 68 far 0 81 0 - 9.2-9.5 HB3 ARG 26 - HG12 ILE 68 far 0 90 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2766 from cnoeabs.peaks (0.81, 0.92, 28.80 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.2-2.4 3.2=100 QD1 ILE 68 + HG12 ILE 68 OK 63 63 100 100 2.1-2.1 2.1=100 QG1 VAL 41 - HG12 ILE 68 far 0 95 0 - 7.2-8.4 QD1 LEU 43 - HG12 ILE 68 far 0 81 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. 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): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 68 + HG12 ILE 68 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 68 + HG12 ILE 68 OK 65 65 100 100 3.0-3.0 2.9=100 HG12 ILE 40 - HG12 ILE 68 far 0 85 0 - 6.3-7.4 HB2 MET 31 - HG12 ILE 68 far 0 96 0 - 7.2-8.4 HB VAL 41 - HG12 ILE 68 far 0 99 0 - 7.9-9.2 HB3 ARG 66 - HG12 ILE 68 far 0 87 0 - 8.6-8.9 Violated in 0 structures by 0.00 A. Peak 2769 from cnoeabs.peaks (0.78, 0.92, 28.80 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HG12 ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 68 + HG12 ILE 68 OK 63 63 100 100 2.2-2.4 3.2=100 QG1 VAL 41 - HG12 ILE 68 far 0 92 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (8.44, 1.92, 28.80 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HG13 ILE 68 OK 100 100 100 100 2.0-2.3 754/2.1=82, 755/1.8=81...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.9 4.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 68 + HG13 ILE 68 OK 100 100 100 100 3.1-3.2 3.2=100 QD1 ILE 68 + HG13 ILE 68 OK 63 63 100 100 2.1-2.1 2.1=100 QG1 VAL 41 - HG13 ILE 68 far 0 95 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (0.92, 1.92, 28.80 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 68 + HG13 ILE 68 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 40 - HG13 ILE 68 far 0 98 0 - 4.5-5.1 QG2 VAL 41 - HG13 ILE 68 far 0 93 0 - 5.4-6.4 QD2 LEU 62 - HG13 ILE 68 far 0 98 0 - 8.9-10.4 QG2 VAL 76 - HG13 ILE 68 far 0 100 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. 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; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 68 + HG13 ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 68 + HG13 ILE 68 OK 63 63 100 100 3.1-3.2 3.2=100 QG1 VAL 41 - HG13 ILE 68 far 0 92 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 2777 from cnoeabs.peaks (8.44, 0.78, 13.95 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 68 + QD1 ILE 68 OK 100 100 100 100 3.0-3.5 757=100, 755/2.1=79...(14) H ALA 20 - QD1 ILE 68 far 0 92 0 - 9.4-15.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 4.1=100 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (1.90, 0.78, 13.95 ppm; 3.04 A): 2 out of 8 assignments used, quality = 0.99: * HB ILE 68 + QD1 ILE 68 OK 98 100 100 98 2.2-2.4 3.2=83, 2749/757=33...(15) HG13 ILE 68 + QD1 ILE 68 OK 65 65 100 100 2.1-2.1 2.1=100 HG12 ILE 40 - QD1 ILE 68 far 0 99 0 - 4.1-4.9 HB2 ARG 26 - QD1 ILE 68 far 0 89 0 - 7.1-8.9 HB2 ARG 66 - QD1 ILE 68 far 0 81 0 - 7.1-8.0 HB3 ARG 26 - QD1 ILE 68 far 0 90 0 - 7.8-9.1 HB2 GLU 19 - QD1 ILE 68 far 0 95 0 - 8.8-16.8 HB3 PRO 34 - QD1 ILE 68 far 0 76 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. 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): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 68 + QD1 ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 40 - QD1 ILE 68 far 5 98 5 - 3.2-4.2 QG2 VAL 41 - QD1 ILE 68 far 0 93 0 - 4.6-5.4 QD2 LEU 62 - QD1 ILE 68 far 0 98 0 - 7.3-8.6 HG LEU 51 - QD1 ILE 68 far 0 60 0 - 7.5-8.9 QG1 VAL 76 - QD1 ILE 68 far 0 100 0 - 8.5-10.8 QG2 VAL 76 - QD1 ILE 68 far 0 100 0 - 8.6-12.8 QD2 LEU 43 - QD1 ILE 68 far 0 73 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.92, 0.78, 13.95 ppm; 3.05 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 68 + QD1 ILE 68 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 68 + QD1 ILE 68 OK 64 65 100 98 2.2-2.4 3.2=84, 3.9/757=31...(15) HG12 ILE 40 - QD1 ILE 68 far 0 85 0 - 4.1-4.9 HB2 MET 31 - QD1 ILE 68 far 0 96 0 - 4.7-5.3 HB3 ARG 66 - QD1 ILE 68 far 0 87 0 - 6.4-7.2 HB VAL 41 - QD1 ILE 68 far 0 99 0 - 7.2-8.1 HB2 GLU 19 - QD1 ILE 68 far 0 93 0 - 8.8-16.8 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * H ARG 69 + HA ARG 69 OK 100 100 100 100 2.8-2.9 2.9=100 H GLY 72 + HA ARG 69 OK 64 99 70 92 3.3-4.3 15492=63, 5055/5130=41...(8) H LYS 73 + HA ARG 69 OK 25 93 35 77 3.5-4.8 5263/5130=36...(7) H VAL 76 - HA ARG 69 far 0 76 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 ARG 69 + HA ARG 69 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 73 - HA ARG 69 poor 8 83 25 39 4.0-5.3 4348/5130=14...(5) HB3 LYS 73 - HA ARG 69 far 0 71 0 - 5.5-7.1 HB3 LYS 75 - HA ARG 69 far 0 92 0 - 7.6-10.0 HB3 LYS 39 - HA ARG 69 far 0 83 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (1.39, 3.63, 59.20 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 69 + HA ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 69 + HA ARG 69 OK 86 87 100 99 2.4-3.6 3.9=79, 3944/3.6=24...(21) HG3 LYS 73 - HA ARG 69 far 0 99 0 - 4.4-7.5 HG3 LYS 75 - HA ARG 69 far 0 100 0 - 8.1-12.0 QB ALA 77 - HA ARG 69 far 0 85 0 - 8.5-10.5 HG3 LYS 39 - HA ARG 69 far 0 97 0 - 9.0-10.1 HG2 LYS 75 - HA ARG 69 far 0 100 0 - 9.3-11.8 QB ALA 20 - HA ARG 69 far 0 89 0 - 9.9-18.7 Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (1.24, 3.63, 59.20 ppm; 4.08 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 69 + HA ARG 69 OK 100 100 100 100 2.4-3.3 3.9=100 QG1 VAL 65 - HA ARG 69 far 0 99 0 - 5.4-6.0 HG13 ILE 40 - HA ARG 69 far 0 98 0 - 5.7-6.5 QG2 VAL 65 - HA ARG 69 far 0 63 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (1.38, 3.63, 59.20 ppm; 3.45 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 69 + HA ARG 69 OK 98 100 100 98 2.4-3.6 3.9=71, 3944/3.6=26...(21) HB3 ARG 69 + HA ARG 69 OK 87 87 100 100 2.4-3.0 3.0=100 HG3 LYS 73 - HA ARG 69 far 0 97 0 - 4.4-7.5 HG3 LYS 75 - HA ARG 69 far 0 95 0 - 8.1-12.0 QB ALA 77 - HA ARG 69 far 0 100 0 - 8.5-10.5 HG3 LYS 39 - HA ARG 69 far 0 63 0 - 9.0-10.1 HG2 LYS 75 - HA ARG 69 far 0 95 0 - 9.3-11.8 QB ALA 20 - HA ARG 69 far 0 100 0 - 9.9-18.7 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (7.98, 1.80, 29.46 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.3-2.5 760=100, 763/1.8=86...(11) H GLY 72 - HB2 ARG 69 far 0 99 0 - 5.3-6.4 H LYS 73 - HB2 ARG 69 far 0 93 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (3.63, 1.80, 29.46 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.5-3.0 3.0=100 HA ILE 40 - HB2 ARG 69 far 0 100 0 - 4.7-6.6 HA VAL 65 - HB2 ARG 69 far 0 100 0 - 5.1-6.2 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 ARG 69 + HB2 ARG 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 69 + HB2 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 LYS 73 - HB2 ARG 69 far 0 99 0 - 5.8-9.2 QB ALA 77 - HB2 ARG 69 far 0 85 0 - 9.2-11.8 HG3 LYS 39 - HB2 ARG 69 far 0 97 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (1.24, 1.80, 29.46 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 QG1 VAL 65 - HB2 ARG 69 far 15 99 15 - 4.0-5.3 HG13 ILE 40 - HB2 ARG 69 far 0 98 0 - 5.0-6.9 QG2 VAL 65 - HB2 ARG 69 far 0 63 0 - 6.2-7.3 HG13 ILE 33 - HB2 ARG 69 far 0 81 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2797 from cnoeabs.peaks (1.38, 1.80, 29.46 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 69 + HB2 ARG 69 OK 87 87 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HB2 ARG 69 far 0 97 0 - 5.8-9.2 QB ALA 77 - HB2 ARG 69 far 0 100 0 - 9.2-11.8 HG3 LYS 39 - HB2 ARG 69 far 0 63 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (2.03, 1.80, 29.46 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.1-3.7 3.9=100 * HD3 ARG 69 + HB2 ARG 69 OK 100 100 100 100 2.2-3.9 3.9=100 HG2 ARG 66 - HB2 ARG 69 far 0 83 0 - 5.6-6.9 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (7.98, 1.39, 29.46 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.5-2.8 761=100, 760/1.8=89...(13) H GLY 72 - HB3 ARG 69 far 0 99 0 - 5.1-6.5 H LYS 73 - HB3 ARG 69 far 0 93 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.63, 1.39, 29.46 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 HA ILE 40 - HB3 ARG 69 far 5 100 5 - 4.4-6.8 HA VAL 65 - HB3 ARG 69 far 0 100 0 - 5.1-6.6 Violated in 0 structures by 0.00 A. Peak 2802 from cnoeabs.peaks (1.80, 1.39, 29.46 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 73 - HB3 ARG 69 far 0 83 0 - 5.2-6.9 HB3 LYS 73 - HB3 ARG 69 far 0 71 0 - 6.6-8.6 HB3 LYS 39 - HB3 ARG 69 far 0 83 0 - 9.8-12.1 HB3 LYS 75 - HB3 ARG 69 far 0 92 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. 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; 3.79 A): 1 out of 5 assignments used, quality = 1.00: * HG2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 QG1 VAL 65 - HB3 ARG 69 far 10 99 10 - 4.0-5.6 HG13 ILE 40 - HB3 ARG 69 far 0 98 0 - 5.0-7.2 QG2 VAL 65 - HB3 ARG 69 far 0 63 0 - 6.3-7.6 HG13 ILE 33 - HB3 ARG 69 far 0 81 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. 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; 4.59 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.1-4.2 3.9=100 HD2 ARG 69 + HB3 ARG 69 OK 100 100 100 100 2.5-3.8 3.9=100 HG2 ARG 66 - HB3 ARG 69 far 0 83 0 - 5.7-6.8 HG2 PRO 44 - HB3 ARG 69 far 0 89 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (7.98, 1.24, 27.02 ppm; 4.48 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 69 + HG2 ARG 69 OK 100 100 100 100 4.3-4.6 4.7=87, 763/3.0=84...(10) H LYS 73 + HG2 ARG 69 OK 41 93 65 68 4.0-5.5 5264/4903=37...(5) H GLY 72 - HG2 ARG 69 far 0 99 0 - 5.0-6.3 H ALA 30 - HG13 ILE 33 far 0 63 0 - 6.1-6.6 H VAL 76 - HG2 ARG 69 far 0 76 0 - 8.4-10.2 H ARG 69 - HG13 ILE 33 far 0 63 0 - 8.8-9.5 H ALA 63 - HG13 ILE 33 far 0 62 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (3.63, 1.24, 27.02 ppm; 4.15 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.4-3.3 3.9=100 HA VAL 65 - HG13 ILE 33 far 0 63 0 - 5.3-5.7 HA ILE 40 - HG2 ARG 69 far 0 100 0 - 5.3-7.3 HA VAL 65 - HG2 ARG 69 far 0 100 0 - 7.8-8.5 HA ILE 40 - HG13 ILE 33 far 0 62 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 2810 from cnoeabs.peaks (1.80, 1.24, 27.02 ppm; 3.55 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 73 - HG2 ARG 69 poor 10 83 45 26 2.9-4.6 5262/4903=12, 4.0/2808=9...(4) HB3 LYS 73 - HG2 ARG 69 far 0 71 0 - 4.0-6.1 HB2 LYS 32 - HG13 ILE 33 far 0 31 0 - 6.9-7.3 HB3 LYS 32 - HG13 ILE 33 far 0 31 0 - 7.6-7.8 HB2 PRO 34 - HG13 ILE 33 far 0 41 0 - 8.3-8.5 HB3 LYS 39 - HG13 ILE 33 far 0 46 0 - 8.6-10.3 HB3 LYS 75 - HG2 ARG 69 far 0 92 0 - 9.2-11.3 HB2 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2811 from cnoeabs.peaks (1.39, 1.24, 27.02 ppm; 2.95 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 69 + HG2 ARG 69 OK 87 87 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HG2 ARG 69 far 0 99 0 - 3.8-6.4 QB ALA 20 - HG13 ILE 33 far 0 50 0 - 7.0-15.5 QB ALA 77 - HG2 ARG 69 far 0 85 0 - 7.7-10.1 HG3 LYS 75 - HG2 ARG 69 far 0 100 0 - 9.1-13.0 HG3 LYS 39 - HG2 ARG 69 far 0 97 0 - 9.5-11.3 HB3 ARG 69 - HG13 ILE 33 far 0 63 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2812 from cnoeabs.peaks (1.24, 1.24, 27.02 ppm; diagonal): 2 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 9 assignments used, quality = 1.00: * HG3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 69 + HG2 ARG 69 OK 87 87 100 100 2.4-3.0 3.0=100 HG3 LYS 73 - HG2 ARG 69 far 0 97 0 - 3.8-6.4 QB ALA 20 - HG13 ILE 33 far 0 63 0 - 7.0-15.5 QB ALA 16 - HG13 ILE 33 far 0 50 0 - 7.5-18.3 QB ALA 77 - HG2 ARG 69 far 0 100 0 - 7.7-10.1 HG3 LYS 75 - HG2 ARG 69 far 0 95 0 - 9.1-13.0 HG3 LYS 39 - HG2 ARG 69 far 0 63 0 - 9.5-11.3 HB3 ARG 69 - HG13 ILE 33 far 0 49 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (2.03, 1.24, 27.02 ppm; 4.03 A): 2 out of 7 assignments used, quality = 1.00: HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 0 83 0 - 8.0-9.3 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 8.0-11.3 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 8.4-9.6 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 8.9-10.4 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2815 from cnoeabs.peaks (2.03, 1.24, 27.02 ppm; 4.03 A): 2 out of 7 assignments used, quality = 1.00: * HD3 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 69 + HG2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG2 ARG 69 far 0 83 0 - 8.0-9.3 HB VAL 76 - HG2 ARG 69 far 0 93 0 - 8.0-11.3 HB3 GLU 25 - HG13 ILE 33 far 0 39 0 - 8.4-9.6 HG2 PRO 44 - HG2 ARG 69 far 0 89 0 - 8.9-10.4 HB2 GLU 25 - HG13 ILE 33 far 0 41 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (7.98, 1.38, 27.02 ppm; 4.71 A increased from 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 69 + HG3 ARG 69 OK 100 100 100 100 4.3-4.7 4.7=100 H LYS 73 - HG3 ARG 69 poor 19 93 20 - 4.1-7.1 H GLY 72 - HG3 ARG 69 far 0 99 0 - 5.3-7.4 H VAL 76 - HG3 ARG 69 far 0 76 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (3.63, 1.38, 27.02 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.4-3.6 3.9=100 HA ILE 40 - HG3 ARG 69 far 5 100 5 - 4.1-5.7 HA VAL 65 - HG3 ARG 69 far 0 100 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (1.80, 1.38, 27.02 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 73 - HG3 ARG 69 far 12 83 15 - 3.3-6.3 HB3 LYS 73 - HG3 ARG 69 far 0 71 0 - 4.9-7.7 HB3 LYS 39 - HG3 ARG 69 far 0 83 0 - 9.3-10.9 HB3 LYS 75 - HG3 ARG 69 far 0 92 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. 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; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 65 - HG3 ARG 69 far 0 99 0 - 4.9-6.3 HG13 ILE 40 - HG3 ARG 69 far 0 98 0 - 5.4-7.2 QG2 VAL 65 - HG3 ARG 69 far 0 63 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. 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; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG3 ARG 69 far 0 83 0 - 6.6-8.6 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 7.9-11.4 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2823 from cnoeabs.peaks (2.03, 1.38, 27.02 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: HD2 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 69 + HG3 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 66 - HG3 ARG 69 far 0 83 0 - 6.6-8.6 HB VAL 76 - HG3 ARG 69 far 0 93 0 - 7.9-11.4 HG2 PRO 44 - HG3 ARG 69 far 0 89 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (3.63, 2.03, 42.48 ppm; 4.86 A increased from 4.32 A): 2 out of 6 assignments used, quality = 1.00: HA ARG 69 + HD3 ARG 69 OK 100 100 100 100 3.8-4.7 4.6=100 * HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 4.0-4.8 4.6=100 HA ILE 40 - HD2 ARG 69 far 10 100 10 - 4.8-7.8 HA ILE 40 - HD3 ARG 69 far 5 100 5 - 5.1-8.0 HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.7-9.2 HA VAL 65 - HD2 ARG 69 far 0 100 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.80, 2.03, 42.48 ppm; 4.30 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.1-3.7 3.9=100 HB2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.9 3.9=100 HB2 LYS 73 - HD3 ARG 69 poor 17 83 20 - 3.3-7.3 HB2 LYS 73 - HD2 ARG 69 far 8 83 10 - 4.3-7.5 HB3 LYS 73 - HD3 ARG 69 far 4 71 5 - 4.5-8.6 HB3 LYS 73 - HD2 ARG 69 far 0 71 0 - 5.7-9.0 HB3 LYS 75 - HD3 ARG 69 far 0 92 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (1.39, 2.03, 42.48 ppm; 3.77 A): 4 out of 11 assignments used, quality = 1.00: * HB3 ARG 69 + HD2 ARG 69 OK 97 100 100 97 2.5-3.8 3.9=92, 2813/3.0=24...(10) HB3 ARG 69 + HD3 ARG 69 OK 93 100 95 98 2.1-4.2 3.9=92, 2813/3.0=24...(11) HG3 ARG 69 + HD2 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD3 ARG 69 OK 87 87 100 100 2.3-3.0 3.0=100 HG3 LYS 73 - HD3 ARG 69 far 0 99 0 - 4.7-8.8 HG3 LYS 73 - HD2 ARG 69 far 0 99 0 - 5.0-8.4 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 6.9-11.7 QB ALA 77 - HD2 ARG 69 far 0 85 0 - 7.9-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 8.9-12.2 HG3 LYS 75 - HD3 ARG 69 far 0 100 0 - 9.2-15.6 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 QG1 VAL 65 - HD3 ARG 69 far 0 99 0 - 4.7-7.4 QG1 VAL 65 - HD2 ARG 69 far 0 99 0 - 4.9-6.9 HG13 ILE 40 - HD2 ARG 69 far 0 98 0 - 5.9-8.7 HG13 ILE 40 - HD3 ARG 69 far 0 98 0 - 5.9-9.1 QG2 VAL 65 - HD3 ARG 69 far 0 63 0 - 7.1-9.6 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 2829 from cnoeabs.peaks (1.38, 2.03, 42.48 ppm; 3.64 A): 4 out of 11 assignments used, quality = 1.00: * HG3 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 69 + HD2 ARG 69 OK 82 87 100 95 2.5-3.8 3.9=83, 2813/3.0=32...(10) HB3 ARG 69 + HD3 ARG 69 OK 78 87 95 95 2.1-4.2 3.9=83, 2813/3.0=32...(11) HG3 LYS 73 - HD3 ARG 69 far 0 97 0 - 4.7-8.8 HG3 LYS 73 - HD2 ARG 69 far 0 97 0 - 5.0-8.4 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 6.9-11.7 QB ALA 77 - HD2 ARG 69 far 0 100 0 - 7.9-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 8.9-12.2 HG3 LYS 75 - HD3 ARG 69 far 0 95 0 - 9.2-15.6 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. 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; 4.86 A increased from 4.32 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 69 + HD3 ARG 69 OK 100 100 100 100 3.8-4.7 4.6=100 HA ARG 69 + HD2 ARG 69 OK 100 100 100 100 4.0-4.8 4.6=100 HA ILE 40 - HD2 ARG 69 far 10 100 10 - 4.8-7.8 HA ILE 40 - HD3 ARG 69 far 5 100 5 - 5.1-8.0 HA VAL 65 - HD3 ARG 69 far 0 100 0 - 6.7-9.2 HA VAL 65 - HD2 ARG 69 far 0 100 0 - 7.0-8.8 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (1.80, 2.03, 42.48 ppm; 4.30 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.1-3.7 3.9=100 * HB2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.9 3.9=100 HB2 LYS 73 - HD3 ARG 69 poor 17 83 20 - 3.3-7.3 HB2 LYS 73 - HD2 ARG 69 far 8 83 10 - 4.3-7.5 HB3 LYS 73 - HD3 ARG 69 far 4 71 5 - 4.5-8.6 HB3 LYS 73 - HD2 ARG 69 far 0 71 0 - 5.7-9.0 HB3 LYS 75 - HD3 ARG 69 far 0 92 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (1.39, 2.03, 42.48 ppm; 3.77 A): 4 out of 11 assignments used, quality = 1.00: HB3 ARG 69 + HD2 ARG 69 OK 97 100 100 97 2.5-3.8 3.9=92, 2813/3.0=24...(10) * HB3 ARG 69 + HD3 ARG 69 OK 93 100 95 98 2.1-4.2 3.9=92, 2813/3.0=24...(11) HG3 ARG 69 + HD2 ARG 69 OK 87 87 100 100 2.2-3.0 3.0=100 HG3 ARG 69 + HD3 ARG 69 OK 87 87 100 100 2.3-3.0 3.0=100 HG3 LYS 73 - HD3 ARG 69 far 0 99 0 - 4.7-8.8 HG3 LYS 73 - HD2 ARG 69 far 0 99 0 - 5.0-8.4 QB ALA 77 - HD3 ARG 69 far 0 85 0 - 6.9-11.7 QB ALA 77 - HD2 ARG 69 far 0 85 0 - 7.9-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 97 0 - 8.9-12.2 HG3 LYS 75 - HD3 ARG 69 far 0 100 0 - 9.2-15.6 HG3 LYS 39 - HD3 ARG 69 far 0 97 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (1.24, 2.03, 42.48 ppm; 3.89 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 QG1 VAL 65 - HD3 ARG 69 far 0 99 0 - 4.7-7.4 QG1 VAL 65 - HD2 ARG 69 far 0 99 0 - 4.9-6.9 HG13 ILE 40 - HD2 ARG 69 far 0 98 0 - 5.9-8.7 HG13 ILE 40 - HD3 ARG 69 far 0 98 0 - 5.9-9.1 QG2 VAL 65 - HD3 ARG 69 far 0 63 0 - 7.1-9.6 QG2 VAL 65 - HD2 ARG 69 far 0 63 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.38, 2.03, 42.48 ppm; 3.64 A): 4 out of 11 assignments used, quality = 1.00: HG3 ARG 69 + HD2 ARG 69 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 69 + HD3 ARG 69 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 69 + HD2 ARG 69 OK 82 87 100 95 2.5-3.8 3.9=83, 2813/3.0=32...(10) HB3 ARG 69 + HD3 ARG 69 OK 78 87 95 95 2.1-4.2 3.9=83, 2813/3.0=32...(11) HG3 LYS 73 - HD3 ARG 69 far 0 97 0 - 4.7-8.8 HG3 LYS 73 - HD2 ARG 69 far 0 97 0 - 5.0-8.4 QB ALA 77 - HD3 ARG 69 far 0 100 0 - 6.9-11.7 QB ALA 77 - HD2 ARG 69 far 0 100 0 - 7.9-12.3 HG3 LYS 39 - HD2 ARG 69 far 0 63 0 - 8.9-12.2 HG3 LYS 75 - HD3 ARG 69 far 0 95 0 - 9.2-15.6 HG3 LYS 39 - HD3 ARG 69 far 0 63 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H ARG 70 + HA ARG 70 OK 100 100 100 100 2.8-2.9 2.9=100 H ASP 67 - HA ARG 70 far 0 78 0 - 7.3-7.9 H VAL 76 - HA ARG 70 far 0 99 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 41 - HA ARG 70 far 0 71 0 - 7.8-8.8 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2843 from cnoeabs.peaks (1.95, 4.00, 58.60 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: HB2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 41 - HA ARG 70 far 0 71 0 - 7.8-8.8 HB3 ARG 66 - HA ARG 70 far 0 95 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (1.71, 4.00, 58.60 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 70 + HA ARG 70 OK 100 100 100 100 3.0-3.8 2865=92, 1.8/2873=73...(17) HG3 ARG 66 - HA ARG 70 far 0 95 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.61, 4.00, 58.60 ppm; 4.09 A increased from 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 70 + HA ARG 70 OK 100 100 100 100 2.5-3.9 4.0=100 HD2 LYS 73 - HA ARG 70 far 10 100 10 - 4.0-7.1 HD3 LYS 73 - HA ARG 70 far 5 100 5 - 2.9-7.9 HG2 ARG 71 - HA ARG 70 far 0 99 0 - 5.1-7.7 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (3.21, 4.00, 58.60 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.2-5.0 5.3=89, 3.0/2844=88...(19) HD3 ARG 70 + HA ARG 70 OK 90 100 90 100 2.1-5.5 5.3=89, 3.0/2844=88...(18) HD3 ARG 71 - HA ARG 70 far 0 99 0 - 5.7-8.5 HD2 ARG 66 - HA ARG 70 far 0 89 0 - 7.8-11.3 HD3 ARG 66 - HA ARG 70 far 0 85 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (3.20, 4.00, 58.60 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: HD2 ARG 70 + HA ARG 70 OK 100 100 100 100 2.2-5.0 5.3=89, 3.0/2844=88...(19) * HD3 ARG 70 + HA ARG 70 OK 90 100 90 100 2.1-5.5 5.3=89, 3.0/2844=88...(18) HD3 ARG 71 - HA ARG 70 far 0 100 0 - 5.7-8.5 HD2 ARG 66 - HA ARG 70 far 0 92 0 - 7.8-11.3 HD3 ARG 66 - HA ARG 70 far 0 89 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 2848 from cnoeabs.peaks (7.95, 1.95, 29.80 ppm; 3.31 A): 3 out of 9 assignments used, quality = 1.00: * H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 769=61, 2864/2.9=34...(17) H ARG 70 + HB3 ARG 70 OK 93 100 95 98 2.3-3.6 4.1=54, 768/1.8=49...(17) H ASP 67 + HB3 ARG 66 OK 59 64 100 93 2.9-3.0 279=41, 278/1.8=41...(13) H ASP 67 - HB3 ARG 70 far 0 78 0 - 5.1-7.8 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.2-5.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 5.8-7.5 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.9-6.8 H VAL 76 - HB3 ARG 70 far 0 99 0 - 8.5-10.4 H VAL 76 - HB2 ARG 70 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.33 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 66 + HB3 ARG 66 OK 57 57 100 100 3.0-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 0 71 0 - 5.1-7.8 HA ARG 66 - HB2 ARG 70 far 0 71 0 - 5.2-7.4 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. 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; 3.33 A): 3 out of 7 assignments used, quality = 1.00: HG2 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 66 + HB3 ARG 66 OK 80 80 100 100 2.2-3.0 2.8=100 HG2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.5-8.7 HG3 ARG 66 - HB3 ARG 70 far 0 95 0 - 6.5-9.8 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 6.5-9.9 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 71 - HB2 ARG 70 far 10 99 10 - 3.0-8.0 HG2 ARG 71 - HB3 ARG 70 far 5 99 5 - 3.2-8.1 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 4.7-10.1 HB3 LEU 62 - HB3 ARG 66 far 0 59 0 - 4.8-5.9 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 5.8-10.6 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.1-9.7 HG3 ARG 70 - HB3 ARG 66 far 0 89 0 - 6.2-9.2 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.3-9.8 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 8.1-11.0 HG3 ARG 27 - HB2 ARG 70 far 0 83 0 - 9.9-14.5 HG2 ARG 27 - HB2 ARG 70 far 0 85 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (3.21, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: * HD2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.6-3.8 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 59 70 85 100 2.4-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 far 10 99 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 99 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 * HD3 ARG 70 + HB2 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.6-3.8 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 63 74 85 100 2.4-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 far 10 100 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 100 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (7.95, 1.95, 29.80 ppm; 3.31 A): 3 out of 9 assignments used, quality = 1.00: H ARG 70 + HB2 ARG 70 OK 98 100 100 98 2.6-3.6 769=61, 2864/2.9=34...(17) * H ARG 70 + HB3 ARG 70 OK 93 100 95 98 2.3-3.6 4.1=54, 768/1.8=49...(17) H ASP 67 + HB3 ARG 66 OK 59 64 100 93 2.9-3.0 279=41, 278/1.8=41...(13) H ASP 67 - HB3 ARG 70 far 0 78 0 - 5.1-7.8 H ALA 63 - HB3 ARG 66 far 0 57 0 - 5.2-5.6 H ASP 67 - HB2 ARG 70 far 0 78 0 - 5.8-7.5 H ARG 70 - HB3 ARG 66 far 0 89 0 - 5.9-6.8 H VAL 76 - HB3 ARG 70 far 0 99 0 - 8.5-10.4 H VAL 76 - HB2 ARG 70 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (4.00, 1.95, 29.80 ppm; 3.33 A): 3 out of 6 assignments used, quality = 1.00: HA ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 * HA ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 66 + HB3 ARG 66 OK 57 57 100 100 3.0-3.0 3.0=100 HA ARG 66 - HB3 ARG 70 far 0 71 0 - 5.1-7.8 HA ARG 66 - HB2 ARG 70 far 0 71 0 - 5.2-7.4 HA ARG 70 - HB3 ARG 66 far 0 89 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. 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; 3.33 A): 3 out of 7 assignments used, quality = 1.00: * HG2 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 66 + HB3 ARG 66 OK 80 80 100 100 2.2-3.0 2.8=100 HG2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.5-8.7 HG3 ARG 66 - HB3 ARG 70 far 0 95 0 - 6.5-9.8 HG3 ARG 66 - HB2 ARG 70 far 0 95 0 - 6.5-9.9 HB3 LEU 64 - HB3 ARG 66 far 0 83 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (1.61, 1.95, 29.80 ppm; 3.61 A): 2 out of 13 assignments used, quality = 1.00: HG3 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 71 - HB2 ARG 70 far 10 99 10 - 3.0-8.0 HG2 ARG 71 - HB3 ARG 70 far 5 99 5 - 3.2-8.1 HD3 LYS 73 - HB3 ARG 70 far 0 100 0 - 4.7-10.1 HB3 LEU 62 - HB3 ARG 66 far 0 59 0 - 4.8-5.9 HD3 LYS 73 - HB2 ARG 70 far 0 100 0 - 5.8-10.6 HD2 LYS 73 - HB3 ARG 70 far 0 100 0 - 6.1-9.7 HG3 ARG 70 - HB3 ARG 66 far 0 89 0 - 6.2-9.2 HD2 LYS 73 - HB2 ARG 70 far 0 100 0 - 6.3-9.8 HG2 ARG 71 - HB3 ARG 66 far 0 86 0 - 8.1-11.0 HG3 ARG 27 - HB2 ARG 70 far 0 83 0 - 9.9-14.5 HG2 ARG 27 - HB2 ARG 70 far 0 85 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2862 from cnoeabs.peaks (3.21, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: HD2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 * HD2 ARG 70 + HB3 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 74 74 100 100 2.6-3.8 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 59 70 85 100 2.4-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 far 10 99 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 99 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 89 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 89 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 85 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 85 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 87 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (3.20, 1.95, 29.80 ppm; 3.68 A): 6 out of 15 assignments used, quality = 1.00: * HD3 ARG 70 + HB3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HD2 ARG 70 + HB2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HD3 ARG 70 + HB2 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HD2 ARG 70 + HB3 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HD2 ARG 66 + HB3 ARG 66 OK 77 77 100 100 2.6-3.8 3.4=100 HD3 ARG 66 + HB3 ARG 66 OK 63 74 85 100 2.4-4.2 3.4=100 HD3 ARG 71 - HB2 ARG 70 far 10 100 10 - 3.6-8.5 HD3 ARG 71 - HB3 ARG 70 far 0 100 0 - 4.2-9.1 HD2 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.0-9.9 HD3 ARG 70 - HB3 ARG 66 far 0 89 0 - 5.3-9.6 HD2 ARG 66 - HB3 ARG 70 far 0 92 0 - 6.2-11.3 HD2 ARG 66 - HB2 ARG 70 far 0 92 0 - 6.9-10.5 HD3 ARG 66 - HB2 ARG 70 far 0 89 0 - 7.2-10.2 HD3 ARG 66 - HB3 ARG 70 far 0 89 0 - 7.5-11.0 HD3 ARG 71 - HB3 ARG 66 far 0 88 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (7.95, 1.71, 27.11 ppm; 4.47 A increased from 4.21 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HG2 ARG 70 OK 100 100 100 100 1.9-4.3 770=99, 2.9/2844=75...(16) H ASP 67 - HG2 ARG 70 far 8 78 10 - 4.6-7.4 H VAL 76 - HG2 ARG 70 far 0 99 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (4.00, 1.71, 27.11 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 70 + HG2 ARG 70 OK 100 100 100 100 3.0-3.8 2844=100, 2873/1.8=76...(17) HA ARG 66 - HG2 ARG 70 far 4 71 5 - 4.2-8.3 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (1.95, 1.71, 27.11 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: HB3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 66 - HG2 ARG 70 far 0 95 0 - 5.5-8.7 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.5-11.4 HB2 LEU 64 - HG2 ARG 70 far 0 89 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (1.95, 1.71, 27.11 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 66 - HG2 ARG 70 far 0 95 0 - 5.5-8.7 HB VAL 41 - HG2 ARG 70 far 0 71 0 - 9.5-11.4 HB2 LEU 64 - HG2 ARG 70 far 0 89 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 71 - HG2 ARG 70 far 0 99 0 - 2.9-7.4 HD3 LYS 73 - HG2 ARG 70 far 0 100 0 - 5.3-10.6 HD2 LYS 73 - HG2 ARG 70 far 0 100 0 - 6.2-10.0 HG2 ARG 27 - HG2 ARG 70 far 0 85 0 - 9.5-14.1 HG3 ARG 27 - HG2 ARG 70 far 0 83 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (3.21, 1.71, 27.11 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 71 - HG2 ARG 70 far 10 99 10 - 3.1-8.9 HD2 ARG 66 - HG2 ARG 70 far 0 89 0 - 5.3-11.4 HD3 ARG 66 - HG2 ARG 70 far 0 85 0 - 5.5-10.9 Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (3.20, 1.71, 27.11 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 70 + HG2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 71 - HG2 ARG 70 far 10 100 10 - 3.1-8.9 HD2 ARG 66 - HG2 ARG 70 far 0 92 0 - 5.3-11.4 HD3 ARG 66 - HG2 ARG 70 far 0 89 0 - 5.5-10.9 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (7.95, 1.61, 27.11 ppm; 4.79 A increased from 4.51 A): 1 out of 19 assignments used, quality = 1.00: * H ARG 70 + HG3 ARG 70 OK 100 100 100 100 3.0-4.6 4.9=92, 2864/1.8=86...(17) H ASP 67 - HG3 ARG 70 far 0 78 0 - 5.9-8.4 H LEU 29 - HG2 ARG 26 far 0 58 0 - 5.9-7.5 H LEU 29 - HG3 ARG 17 far 0 99 0 - 6.3-17.4 H LEU 29 - HG2 ARG 27 far 0 73 0 - 6.4-7.9 H LEU 29 - HG3 ARG 27 far 0 71 0 - 6.5-7.8 H LYS 32 - HG3 ARG 17 far 0 93 0 - 6.6-21.1 H LEU 29 - HG2 ARG 17 far 0 99 0 - 7.3-15.7 H ASP 67 - HG2 ARG 27 far 0 50 0 - 7.6-10.8 H LYS 32 - HG2 ARG 17 far 0 94 0 - 8.0-19.4 H LYS 32 - HG3 ARG 27 far 0 64 0 - 8.0-10.1 H LYS 32 - HG2 ARG 27 far 0 66 0 - 8.1-9.6 H ASP 67 - HG3 ARG 27 far 0 48 0 - 8.3-10.4 H VAL 76 - HG3 ARG 70 far 0 99 0 - 8.8-12.5 H LYS 32 - HG2 ARG 26 far 0 52 0 - 9.1-11.0 H ARG 70 - HG3 ARG 27 far 0 71 0 - 9.5-12.9 H ALA 63 - HG3 ARG 27 far 0 43 0 - 9.9-13.4 H ALA 63 - HG2 ARG 27 far 0 44 0 - 10.0-13.9 H ARG 70 - HG2 ARG 27 far 0 73 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (4.00, 1.61, 27.11 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.5-3.9 4.0=94, 2844/1.8=76...(16) HA LYS 32 - HG3 ARG 17 far 0 68 0 - 5.1-20.6 HA ARG 66 - HG3 ARG 70 far 0 71 0 - 5.7-8.5 HA LYS 32 - HG2 ARG 17 far 0 69 0 - 6.3-18.9 HB2 SER 22 - HG2 ARG 26 far 0 55 0 - 6.9-9.5 HB2 SER 22 - HG3 ARG 27 far 0 67 0 - 7.3-10.8 HB2 SER 22 - HG2 ARG 27 far 0 69 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.95, 1.61, 27.11 ppm; 3.43 A): 2 out of 15 assignments used, quality = 1.00: * HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 4.7-16.7 HB2 LEU 64 - HG2 ARG 27 far 0 59 0 - 5.7-9.2 HB2 LEU 64 - HG3 ARG 27 far 0 57 0 - 5.7-8.8 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 5.8-16.0 HB2 MET 31 - HG3 ARG 27 far 0 53 0 - 6.0-8.5 HB3 ARG 66 - HG3 ARG 70 far 0 95 0 - 6.2-9.2 HB2 MET 31 - HG2 ARG 27 far 0 55 0 - 6.2-8.5 HB2 GLN 79 - HG LEU 86 far 0 81 0 - 7.8-25.7 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 8.5-11.7 HB2 MET 31 - HG3 ARG 17 far 0 82 0 - 9.3-21.2 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.9-12.2 HB2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.9-14.5 HB2 ARG 70 - HG2 ARG 27 far 0 73 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.95, 1.61, 27.11 ppm; 3.43 A): 2 out of 15 assignments used, quality = 1.00: HB2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 * HB3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLN 79 - HG2 ARG 84 far 0 66 0 - 4.7-16.7 HB2 LEU 64 - HG2 ARG 27 far 0 59 0 - 5.7-9.2 HB2 LEU 64 - HG3 ARG 27 far 0 57 0 - 5.7-8.8 HB2 GLN 79 - HG3 ARG 84 far 0 66 0 - 5.8-16.0 HB2 MET 31 - HG3 ARG 27 far 0 53 0 - 6.0-8.5 HB3 ARG 66 - HG3 ARG 70 far 0 95 0 - 6.2-9.2 HB2 MET 31 - HG2 ARG 27 far 0 55 0 - 6.2-8.5 HB2 GLN 79 - HG LEU 86 far 0 81 0 - 7.8-25.7 HB2 MET 31 - HG2 ARG 26 far 0 43 0 - 8.5-11.7 HB2 MET 31 - HG3 ARG 17 far 0 82 0 - 9.3-21.2 HB VAL 41 - HG3 ARG 70 far 0 71 0 - 9.9-12.2 HB2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.9-14.5 HB2 ARG 70 - HG2 ARG 27 far 0 73 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.71, 1.61, 27.11 ppm; 2.40 A): 2 out of 26 assignments used, quality = 1.00: * HG2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 84 + HG3 ARG 84 OK 41 57 85 85 2.3-3.0 3.0=54, 3379/1.8=15...(23) HB2 ARG 84 - HG2 ARG 84 poor 17 57 30 - 2.5-3.0 HB3 LYS 83 - HG2 ARG 84 far 0 69 0 - 3.0-7.2 HB2 ARG 82 - HG2 ARG 84 far 0 63 0 - 3.3-9.0 HB3 LYS 83 - HG3 ARG 84 far 0 69 0 - 3.6-7.8 HB2 ARG 82 - HG3 ARG 84 far 0 63 0 - 4.0-10.4 HB2 LEU 29 - HG3 ARG 17 far 0 97 0 - 4.3-19.5 HB3 LYS 83 - HG LEU 86 far 0 84 0 - 4.4-13.7 HB3 LEU 64 - HG3 ARG 27 far 0 65 0 - 4.6-8.2 HB3 LEU 64 - HG2 ARG 27 far 0 67 0 - 4.7-8.6 HB2 LEU 29 - HG2 ARG 17 far 0 97 0 - 5.0-17.7 HB3 LYS 85 - HG3 ARG 84 far 0 63 0 - 5.2-8.5 HB3 LYS 85 - HG LEU 86 far 0 78 0 - 5.6-8.7 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.8-10.5 HB2 LEU 29 - HG2 ARG 26 far 0 55 0 - 5.9-8.0 HB3 LYS 85 - HG2 ARG 84 far 0 63 0 - 6.2-8.6 HG3 ARG 66 - HG3 ARG 70 far 0 95 0 - 6.8-10.5 HB2 ARG 82 - HG LEU 86 far 0 78 0 - 7.4-16.7 HB3 LYS 13 - HG2 ARG 17 far 0 64 0 - 8.2-16.6 HB3 LYS 13 - HG3 ARG 17 far 0 63 0 - 8.5-16.4 HB2 LEU 29 - HG2 ARG 27 far 0 70 0 - 9.0-10.6 HB2 LEU 29 - HG3 ARG 27 far 0 68 0 - 9.0-10.5 HB3 LEU 64 - HG2 ARG 26 far 0 53 0 - 9.4-13.4 HG2 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.5-14.1 HG2 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. 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; 3.22 A): 2 out of 9 assignments used, quality = 1.00: * HD2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 71 - HG3 ARG 70 far 0 99 0 - 4.3-9.9 HD3 ARG 71 - HG3 ARG 27 far 0 69 0 - 4.9-12.5 HD2 ARG 66 - HG3 ARG 70 far 0 89 0 - 6.1-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 71 0 - 6.2-12.4 HD3 ARG 66 - HG3 ARG 70 far 0 85 0 - 6.4-11.4 HD3 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.8-15.9 HD3 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (3.20, 1.61, 27.11 ppm; 3.22 A): 3 out of 14 assignments used, quality = 1.00: * HD3 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 ARG 70 + HG3 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD3 ARG 71 - HG3 ARG 70 far 0 100 0 - 4.3-9.9 HD3 ARG 71 - HG3 ARG 27 far 0 70 0 - 4.9-12.5 HD3 ARG 26 - HG2 ARG 27 far 0 37 0 - 5.3-10.2 HD2 ARG 66 - HG3 ARG 70 far 0 92 0 - 6.1-11.5 HD3 ARG 71 - HG2 ARG 27 far 0 72 0 - 6.2-12.4 HD3 ARG 66 - HG3 ARG 70 far 0 89 0 - 6.4-11.4 HD3 ARG 26 - HG3 ARG 17 far 0 58 0 - 6.7-19.8 HD3 ARG 26 - HG3 ARG 27 far 0 35 0 - 6.8-10.1 HD3 ARG 26 - HG2 ARG 17 far 0 58 0 - 7.6-18.6 HD3 ARG 70 - HG3 ARG 27 far 0 71 0 - 9.8-15.9 HD3 ARG 70 - HG2 ARG 27 far 0 73 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (4.00, 3.21, 43.49 ppm; 4.90 A increased from 4.62 A): 4 out of 13 assignments used, quality = 1.00: * HA ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-5.0 2844/3.0=85, 2873/3.0=84...(19) HA ARG 70 + HD3 ARG 70 OK 90 100 90 100 2.1-5.5 2844/3.0=85, 2873/3.0=84...(18) HA ARG 66 + HD2 ARG 66 OK 57 57 100 100 2.4-4.8 5.2=85, 2679/3.0=60...(28) HA ARG 66 + HD3 ARG 66 OK 53 53 100 100 2.6-4.7 5.2=85, 2679/3.0=60...(28) HA ARG 66 - HD2 ARG 70 far 4 71 5 - 4.9-9.3 HA ARG 66 - HD3 ARG 70 far 0 71 0 - 5.3-8.8 HA ARG 70 - HD3 ARG 71 far 0 58 0 - 5.7-8.5 HA PHE 48 - HD2 ARG 66 far 0 52 0 - 7.7-11.2 HA ARG 70 - HD2 ARG 66 far 0 89 0 - 7.8-11.3 HA ARG 70 - HD3 ARG 66 far 0 85 0 - 8.2-11.1 HA PHE 48 - HD3 ARG 66 far 0 49 0 - 8.2-11.2 HB2 SER 22 - HD3 ARG 71 far 0 55 0 - 8.5-14.8 HA ARG 66 - HD3 ARG 71 far 0 34 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.72 A increased from 3.50 A): 6 out of 21 assignments used, quality = 1.00: * HB2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.6-3.8 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 64 76 85 100 2.4-4.2 3.4=100 HB2 ARG 70 - HD3 ARG 71 far 6 58 10 - 3.6-8.5 HB3 ARG 70 - HD3 ARG 71 far 0 58 0 - 4.2-9.1 HB3 ARG 66 - HD2 ARG 70 far 0 95 0 - 5.0-9.9 HB3 ARG 66 - HD3 ARG 70 far 0 94 0 - 5.3-9.6 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.2-11.3 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 7.2-10.2 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 7.5-11.0 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.8-9.8 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.8-10.0 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 7.8-12.9 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.1-13.4 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 9.2-12.7 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 9.4-13.3 HB2 LEU 64 - HD3 ARG 70 far 0 88 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (1.95, 3.21, 43.49 ppm; 3.72 A increased from 3.50 A): 6 out of 21 assignments used, quality = 1.00: HB2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 * HB3 ARG 70 + HD2 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.6-3.8 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 64 76 85 100 2.4-4.2 3.4=100 HB2 ARG 70 - HD3 ARG 71 far 6 58 10 - 3.6-8.5 HB3 ARG 70 - HD3 ARG 71 far 0 58 0 - 4.2-9.1 HB3 ARG 66 - HD2 ARG 70 far 0 95 0 - 5.0-9.9 HB3 ARG 66 - HD3 ARG 70 far 0 94 0 - 5.3-9.6 HB3 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.2-11.3 HB2 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 85 0 - 7.2-10.2 HB3 ARG 70 - HD3 ARG 66 far 0 85 0 - 7.5-11.0 HB2 LEU 64 - HD2 ARG 66 far 0 73 0 - 7.8-9.8 HB2 LEU 64 - HD3 ARG 66 far 0 69 0 - 7.8-10.0 HB VAL 41 - HD3 ARG 71 far 0 34 0 - 7.8-12.9 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.1-13.4 HB3 ARG 66 - HD3 ARG 71 far 0 51 0 - 9.2-12.7 HB2 LEU 64 - HD3 ARG 71 far 0 46 0 - 9.4-13.3 HB2 LEU 64 - HD3 ARG 70 far 0 88 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (1.71, 3.21, 43.49 ppm; 3.35 A): 4 out of 14 assignments used, quality = 1.00: * HG2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 80 80 100 100 2.4-3.0 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 76 76 100 100 2.2-3.0 3.0=100 HG2 ARG 70 - HD3 ARG 71 far 6 58 10 - 3.1-8.9 HG2 ARG 70 - HD2 ARG 66 far 0 89 0 - 5.3-11.4 HG2 ARG 70 - HD3 ARG 66 far 0 85 0 - 5.5-10.9 HG3 ARG 66 - HD2 ARG 70 far 0 95 0 - 5.6-10.4 HG3 ARG 66 - HD3 ARG 70 far 0 94 0 - 6.5-10.3 HB3 LEU 64 - HD3 ARG 66 far 0 78 0 - 8.2-10.7 HB3 LEU 64 - HD2 ARG 66 far 0 82 0 - 8.2-10.4 HB3 LEU 64 - HD3 ARG 71 far 0 53 0 - 8.7-12.8 HB3 LEU 64 - HD3 ARG 70 far 0 96 0 - 9.4-13.9 HB2 LEU 43 - HD2 ARG 66 far 0 75 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (1.61, 3.21, 43.49 ppm; 3.16 A): 3 out of 25 assignments used, quality = 1.00: * HG3 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 56 56 100 100 2.3-3.0 3.0=100 HB3 LEU 62 - HD2 ARG 66 far 0 59 0 - 3.9-7.5 HB3 LEU 62 - HD3 ARG 66 far 0 56 0 - 4.1-6.5 HG3 ARG 70 - HD3 ARG 71 far 0 58 0 - 4.3-9.9 HG2 ARG 71 - HD3 ARG 70 far 0 99 0 - 4.8-8.7 HG3 ARG 27 - HD3 ARG 71 far 0 42 0 - 4.9-12.5 HG2 ARG 71 - HD2 ARG 70 far 0 99 0 - 5.1-8.5 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 5.6-10.9 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 5.8-11.4 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 5.8-11.7 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.1-12.2 HG3 ARG 70 - HD2 ARG 66 far 0 89 0 - 6.1-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 43 0 - 6.2-12.4 HG3 ARG 70 - HD3 ARG 66 far 0 85 0 - 6.4-11.4 HB3 LEU 51 - HD2 ARG 66 far 0 80 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 76 0 - 7.9-11.0 HD3 LYS 73 - HD3 ARG 71 far 0 58 0 - 8.7-13.6 HD2 LYS 73 - HD2 ARG 66 far 0 88 0 - 9.0-16.1 HD3 LYS 73 - HD2 ARG 66 far 0 88 0 - 9.8-17.1 HG3 ARG 27 - HD3 ARG 70 far 0 83 0 - 9.8-15.9 HG2 ARG 27 - HD3 ARG 70 far 0 85 0 - 9.9-16.1 HG2 ARG 71 - HD3 ARG 66 far 0 82 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 86 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. 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; 4.90 A increased from 4.62 A): 4 out of 14 assignments used, quality = 1.00: HA ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.2-5.0 2844/3.0=85, 2873/3.0=84...(19) * HA ARG 70 + HD3 ARG 70 OK 90 100 90 100 2.1-5.5 2844/3.0=85, 2873/3.0=84...(18) HA ARG 66 + HD2 ARG 66 OK 60 60 100 100 2.4-4.8 5.2=85, 2679/3.0=60...(28) HA ARG 66 + HD3 ARG 66 OK 57 57 100 100 2.6-4.7 5.2=85, 2679/3.0=60...(28) HA ARG 66 - HD2 ARG 70 far 4 71 5 - 4.9-9.3 HA ARG 66 - HD3 ARG 70 far 0 71 0 - 5.3-8.8 HA ARG 70 - HD3 ARG 71 far 0 59 0 - 5.7-8.5 HB2 SER 22 - HD3 ARG 26 far 0 27 0 - 7.5-11.1 HA PHE 48 - HD2 ARG 66 far 0 55 0 - 7.7-11.2 HA ARG 70 - HD2 ARG 66 far 0 92 0 - 7.8-11.3 HA ARG 70 - HD3 ARG 66 far 0 89 0 - 8.2-11.1 HA PHE 48 - HD3 ARG 66 far 0 52 0 - 8.2-11.2 HB2 SER 22 - HD3 ARG 71 far 0 55 0 - 8.5-14.8 HA ARG 66 - HD3 ARG 71 far 0 35 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 2890 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.72 A increased from 3.50 A): 6 out of 21 assignments used, quality = 1.00: HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 * HB2 ARG 70 + HD3 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.6-3.8 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 68 80 85 100 2.4-4.2 3.4=100 HB2 ARG 70 - HD3 ARG 71 far 6 59 10 - 3.6-8.5 HB3 ARG 70 - HD3 ARG 71 far 0 59 0 - 4.2-9.1 HB3 ARG 66 - HD2 ARG 70 far 0 94 0 - 5.0-9.9 HB3 ARG 66 - HD3 ARG 70 far 0 95 0 - 5.3-9.6 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.2-11.3 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 7.2-10.2 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 7.5-11.0 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.8-9.8 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.8-10.0 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 7.8-12.9 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.1-13.4 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 9.2-12.7 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 9.4-13.3 HB2 LEU 64 - HD3 ARG 70 far 0 89 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (1.95, 3.20, 43.49 ppm; 3.72 A increased from 3.50 A): 6 out of 21 assignments used, quality = 1.00: * HB3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.2-3.8 3.5=100 HB2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.5-3.7 3.5=100 HB2 ARG 70 + HD3 ARG 70 OK 95 100 95 100 2.2-4.2 3.5=100 HB3 ARG 70 + HD2 ARG 70 OK 85 100 85 100 2.3-4.2 3.5=100 HB3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.6-3.8 3.4=100 HB3 ARG 66 + HD3 ARG 66 OK 68 80 85 100 2.4-4.2 3.4=100 HB2 ARG 70 - HD3 ARG 71 far 6 59 10 - 3.6-8.5 HB3 ARG 70 - HD3 ARG 71 far 0 59 0 - 4.2-9.1 HB3 ARG 66 - HD2 ARG 70 far 0 94 0 - 5.0-9.9 HB3 ARG 66 - HD3 ARG 70 far 0 95 0 - 5.3-9.6 HB3 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.2-11.3 HB2 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.9-10.5 HB2 ARG 70 - HD3 ARG 66 far 0 89 0 - 7.2-10.2 HB3 ARG 70 - HD3 ARG 66 far 0 89 0 - 7.5-11.0 HB2 LEU 64 - HD2 ARG 66 far 0 77 0 - 7.8-9.8 HB2 LEU 64 - HD3 ARG 66 far 0 73 0 - 7.8-10.0 HB VAL 41 - HD3 ARG 71 far 0 35 0 - 7.8-12.9 HB VAL 41 - HD2 ARG 70 far 0 71 0 - 9.1-13.4 HB3 ARG 66 - HD3 ARG 71 far 0 52 0 - 9.2-12.7 HB2 LEU 64 - HD3 ARG 71 far 0 47 0 - 9.4-13.3 HB2 LEU 64 - HD3 ARG 70 far 0 89 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (1.71, 3.20, 43.49 ppm; 3.35 A): 4 out of 15 assignments used, quality = 1.00: * HG2 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 66 + HD2 ARG 66 OK 83 83 100 100 2.4-3.0 3.0=100 HG3 ARG 66 + HD3 ARG 66 OK 80 80 100 100 2.2-3.0 3.0=100 HG2 ARG 70 - HD3 ARG 71 far 6 59 10 - 3.1-8.9 HB2 LEU 29 - HD3 ARG 26 far 0 27 0 - 5.1-8.6 HG2 ARG 70 - HD2 ARG 66 far 0 92 0 - 5.3-11.4 HG2 ARG 70 - HD3 ARG 66 far 0 89 0 - 5.5-10.9 HG3 ARG 66 - HD2 ARG 70 far 0 94 0 - 5.6-10.4 HG3 ARG 66 - HD3 ARG 70 far 0 95 0 - 6.5-10.3 HB3 LEU 64 - HD3 ARG 66 far 0 82 0 - 8.2-10.7 HB3 LEU 64 - HD2 ARG 66 far 0 86 0 - 8.2-10.4 HB3 LEU 64 - HD3 ARG 71 far 0 54 0 - 8.7-12.8 HB3 LEU 64 - HD3 ARG 70 far 0 97 0 - 9.4-13.9 HB2 LEU 43 - HD2 ARG 66 far 0 78 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (1.61, 3.20, 43.49 ppm; 3.16 A): 4 out of 30 assignments used, quality = 1.00: * HG3 ARG 70 + HD3 ARG 70 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 70 + HD2 ARG 70 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 71 + HD3 ARG 71 OK 57 57 100 100 2.3-3.0 3.0=100 HG2 ARG 26 + HD3 ARG 26 OK 27 27 100 100 2.3-3.0 3.0=100 HB3 LEU 62 - HD2 ARG 66 far 0 62 0 - 3.9-7.5 HB3 LEU 62 - HD3 ARG 66 far 0 59 0 - 4.1-6.5 HG3 ARG 70 - HD3 ARG 71 far 0 59 0 - 4.3-9.9 HG2 ARG 71 - HD3 ARG 70 far 0 99 0 - 4.8-8.7 HG3 ARG 27 - HD3 ARG 71 far 0 42 0 - 4.9-12.5 HG2 ARG 71 - HD2 ARG 70 far 0 99 0 - 5.1-8.5 HG2 ARG 27 - HD3 ARG 26 far 0 21 0 - 5.3-10.2 HD2 LYS 73 - HD2 ARG 70 far 0 100 0 - 5.6-10.9 HD2 LYS 73 - HD3 ARG 70 far 0 100 0 - 5.8-11.4 HD3 LYS 73 - HD2 ARG 70 far 0 100 0 - 5.8-11.7 HD3 LYS 73 - HD3 ARG 70 far 0 100 0 - 6.1-12.2 HG3 ARG 70 - HD2 ARG 66 far 0 92 0 - 6.1-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 44 0 - 6.2-12.4 HG3 ARG 70 - HD3 ARG 66 far 0 89 0 - 6.4-11.4 HG3 ARG 17 - HD3 ARG 26 far 0 28 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 20 0 - 6.8-10.1 HG2 ARG 17 - HD3 ARG 26 far 0 28 0 - 7.6-18.6 HB3 LEU 51 - HD2 ARG 66 far 0 83 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 80 0 - 7.9-11.0 HD3 LYS 73 - HD3 ARG 71 far 0 59 0 - 8.7-13.6 HD2 LYS 73 - HD2 ARG 66 far 0 92 0 - 9.0-16.1 HD3 LYS 73 - HD2 ARG 66 far 0 92 0 - 9.8-17.1 HG3 ARG 27 - HD3 ARG 70 far 0 83 0 - 9.8-15.9 HG2 ARG 27 - HD3 ARG 70 far 0 85 0 - 9.9-16.1 HG2 ARG 71 - HD3 ARG 66 far 0 86 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 89 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. 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 5 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 Peak 2896 from cnoeabs.peaks (8.11, 4.08, 58.40 ppm; 3.25 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 71 + HA ARG 71 OK 100 100 100 100 2.8-2.9 2.9=100 H ARG 26 + HA ARG 26 OK 58 58 100 100 2.8-2.8 3.0=100 H ARG 26 - HA GLU 25 far 6 61 10 - 3.5-3.6 H LYS 75 - HA ARG 71 far 0 92 0 - 3.9-5.8 Violated in 0 structures by 0.00 A. 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 23 assignments used, quality = 1.00: HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.5-2.9 3.0=90, 3.5/2937=26...(24) * HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.2-3.0 3.0=90, 776/2.9=43...(22) HB2 ARG 26 + HA ARG 26 OK 52 53 100 98 2.5-3.0 3.0=91, 527/3.0=29...(25) HB3 ARG 26 + HA ARG 26 OK 50 51 100 99 2.4-2.6 3.0=91, ~528=22, ~527=22...(28) HB2 ARG 27 - HA GLU 25 far 0 93 0 - 4.7-5.3 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 4.9-7.8 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 5.4-6.6 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-5.9 HB2 ARG 26 - HA GLU 25 far 0 56 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 53 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 6.2-6.6 HB2 ARG 17 - HA ARG 26 far 0 81 0 - 7.0-17.9 HB2 ARG 17 - HA GLU 25 far 0 84 0 - 7.3-15.8 HB2 ARG 23 - HA GLU 25 far 0 91 0 - 7.3-8.4 HB3 ARG 23 - HA GLU 25 far 0 92 0 - 7.3-8.3 HB3 ARG 23 - HA ARG 26 far 0 89 0 - 7.6-8.7 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 7.8-9.1 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 93 0 - 9.1-11.6 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 9.1-14.0 HB2 ARG 66 - HA ARG 71 far 0 76 0 - 9.4-10.6 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.85, 4.08, 58.40 ppm; 2.91 A): 4 out of 23 assignments used, quality = 1.00: * HB3 ARG 71 + HA ARG 71 OK 99 100 100 99 2.5-2.9 3.0=90, 3.5/2937=26...(24) HB2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.2-3.0 3.0=90, 776/2.9=43...(22) HB2 ARG 26 + HA ARG 26 OK 55 56 100 98 2.5-3.0 3.0=91, 527/3.0=30...(25) HB3 ARG 26 + HA ARG 26 OK 53 53 100 99 2.4-2.6 3.0=91, ~528=22, ~527=22...(28) HB2 ARG 27 - HA GLU 25 far 0 93 0 - 4.7-5.3 HB2 LYS 75 - HA ARG 71 far 0 97 0 - 4.9-7.8 HB3 ARG 27 - HA GLU 25 far 0 93 0 - 5.4-6.6 HB2 ARG 27 - HA ARG 26 far 0 90 0 - 5.5-5.9 HB2 ARG 26 - HA GLU 25 far 0 58 0 - 5.7-6.6 HB3 ARG 26 - HA GLU 25 far 0 56 0 - 5.9-6.6 HB3 ARG 27 - HA ARG 26 far 0 90 0 - 6.2-6.6 HB2 ARG 17 - HA ARG 26 far 0 80 0 - 7.0-17.9 HB2 ARG 17 - HA GLU 25 far 0 83 0 - 7.3-15.8 HB2 ARG 23 - HA GLU 25 far 0 90 0 - 7.3-8.4 HB3 ARG 23 - HA GLU 25 far 0 91 0 - 7.3-8.3 HB3 ARG 23 - HA ARG 26 far 0 88 0 - 7.6-8.7 HB2 ARG 23 - HA ARG 26 far 0 88 0 - 7.8-9.1 HB3 ARG 71 - HA GLU 25 far 0 93 0 - 8.9-13.0 HB2 ARG 71 - HA GLU 25 far 0 93 0 - 9.0-12.5 HB2 LYS 39 - HA GLU 25 far 0 93 0 - 9.1-11.6 HB2 ARG 23 - HA ARG 71 far 0 99 0 - 9.1-14.0 HB2 ARG 66 - HA ARG 71 far 0 78 0 - 9.4-10.6 HB2 ARG 27 - HA ARG 71 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.62, 4.08, 58.40 ppm; 3.80 A increased from 3.04 A): 2 out of 17 assignments used, quality = 1.00: * HG2 ARG 71 + HA ARG 71 OK 99 100 100 99 2.2-4.0 3.8=99 HG2 ARG 26 + HA ARG 26 OK 90 90 100 100 2.3-3.8 3.7=100 HG3 ARG 70 - HA ARG 71 poor 20 99 20 - 3.2-6.6 HG3 ARG 27 - HA GLU 25 far 0 84 0 - 5.0-7.7 HG2 ARG 27 - HA GLU 25 far 0 86 0 - 5.0-7.8 HG2 ARG 27 - HA ARG 26 far 0 83 0 - 5.2-7.7 HG2 ARG 26 - HA GLU 25 far 0 93 0 - 5.3-7.0 HG3 ARG 27 - HA ARG 26 far 0 81 0 - 5.3-7.2 HG3 ARG 17 - HA ARG 26 far 0 90 0 - 7.2-18.6 HD3 LYS 73 - HA ARG 71 far 0 98 0 - 7.4-9.9 HD2 LYS 73 - HA ARG 71 far 0 98 0 - 7.8-9.5 HG3 ARG 17 - HA GLU 25 far 0 93 0 - 8.3-17.2 HG2 ARG 17 - HA ARG 26 far 0 90 0 - 8.5-17.0 HG3 ARG 27 - HA ARG 71 far 0 95 0 - 8.5-12.6 HG2 ARG 71 - HA GLU 25 far 0 93 0 - 9.1-13.6 HG2 ARG 27 - HA ARG 71 far 0 96 0 - 9.7-12.6 HG2 ARG 17 - HA GLU 25 far 0 93 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 2901 from cnoeabs.peaks (1.75, 4.08, 58.40 ppm; 3.87 A increased from 3.26 A): 2 out of 9 assignments used, quality = 0.98: HG3 ARG 26 + HA ARG 26 OK 90 90 100 100 2.6-3.9 3.7=100 * HG3 ARG 71 + HA ARG 71 OK 85 100 85 100 2.6-4.2 3.8=100 HG3 ARG 26 - HA GLU 25 far 0 92 0 - 5.3-6.3 HB3 LYS 73 - HA ARG 71 far 0 68 0 - 5.7-6.8 HB ILE 33 - HA GLU 25 far 0 78 0 - 6.9-7.9 HB3 ARG 17 - HA ARG 26 far 0 87 0 - 7.7-16.2 HB3 ARG 17 - HA GLU 25 far 0 90 0 - 7.9-15.3 HB ILE 33 - HA ARG 26 far 0 75 0 - 8.5-9.3 HG3 ARG 71 - HA GLU 25 far 0 93 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (3.14, 4.08, 58.40 ppm; 4.42 A): 1 out of 18 assignments used, quality = 1.00: * HD2 ARG 71 + HA ARG 71 OK 100 100 100 100 2.2-4.1 2937=100, 3.0/2900=39...(34) HD2 ARG 27 - HA ARG 26 far 0 49 0 - 5.1-8.3 HD3 ARG 27 - HA ARG 26 far 0 49 0 - 5.2-8.8 HD2 ARG 27 - HA GLU 25 far 0 51 0 - 5.9-8.8 HD3 ARG 27 - HA GLU 25 far 0 51 0 - 6.3-8.5 HD2 ARG 17 - HA ARG 26 far 0 69 0 - 6.4-17.1 HD3 ARG 17 - HA ARG 26 far 0 69 0 - 6.7-18.1 HD2 ARG 23 - HA ARG 26 far 0 58 0 - 6.9-11.4 HD3 ARG 23 - HA ARG 26 far 0 58 0 - 7.4-10.8 HD2 ARG 27 - HA ARG 71 far 0 60 0 - 7.8-12.9 HD2 ARG 23 - HA GLU 25 far 0 61 0 - 8.3-10.8 HD3 ARG 27 - HA ARG 71 far 0 60 0 - 8.7-13.4 HD3 ARG 23 - HA GLU 25 far 0 61 0 - 8.7-11.1 HD2 ARG 71 - HA GLU 25 far 0 93 0 - 8.8-14.6 HD3 ARG 17 - HA GLU 25 far 0 72 0 - 9.0-18.3 HD2 ARG 17 - HA GLU 25 far 0 72 0 - 9.2-17.0 HD2 ARG 23 - HA ARG 71 far 0 71 0 - 9.4-14.5 HD3 ARG 23 - HA ARG 71 far 0 71 0 - 9.7-15.0 Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (3.20, 4.08, 58.40 ppm; 4.79 A increased from 4.25 A): 4 out of 8 assignments used, quality = 1.00: * HD3 ARG 71 + HA ARG 71 OK 100 100 100 100 2.2-5.0 4.7=100 HD3 ARG 26 + HA ARG 26 OK 58 58 100 100 2.4-4.8 4.8=100 HD2 ARG 26 + HA ARG 26 OK 50 56 90 100 2.4-5.4 4.8=100 HD2 ARG 70 + HA ARG 71 OK 24 99 25 95 3.9-7.8 ~307=40, 2847/4.7=24...(16) HD3 ARG 70 - HA ARG 71 far 15 100 15 - 4.1-7.9 HD2 ARG 26 - HA GLU 25 far 0 58 0 - 6.7-8.2 HD3 ARG 26 - HA GLU 25 far 0 61 0 - 6.8-8.2 HD3 ARG 71 - HA GLU 25 far 0 93 0 - 8.9-15.3 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.74 A): 4 out of 15 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.2-3.6 776=100, 779/2.8=63...(16) H ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-3.6 776/1.8=88, 4.0=82...(14) H ARG 26 + HB2 ARG 26 OK 29 30 100 99 2.4-3.6 3.9=88, 529/3.0=39...(15) H ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.5-3.6 3.9=88, 527/1.8=64...(15) H ARG 26 - HB2 ARG 27 far 0 71 0 - 4.5-5.2 H LYS 75 - HB3 ARG 71 far 0 92 0 - 4.9-7.5 H ARG 26 - HB3 ARG 23 far 0 49 0 - 5.3-6.1 H LYS 75 - HB2 ARG 71 far 0 92 0 - 5.4-7.4 H ARG 26 - HB2 ARG 23 far 0 48 0 - 5.6-6.5 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.7-6.3 H ARG 71 - HB2 ARG 66 far 0 55 0 - 6.8-8.1 H ARG 26 - HB2 ARG 17 far 0 30 0 - 8.6-16.2 H ARG 71 - HB2 ARG 27 far 0 100 0 - 8.9-11.2 H ARG 71 - HB3 ARG 27 far 0 100 0 - 9.2-10.7 H ARG 26 - HB3 ARG 71 far 0 71 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (4.08, 1.85, 30.22 ppm; 3.25 A): 4 out of 22 assignments used, quality = 1.00: * HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-2.9 3.0=100 HA ARG 26 + HB2 ARG 26 OK 49 49 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 47 47 100 100 2.4-2.6 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 47 0 - 4.6-4.7 HA GLU 25 - HB2 ARG 27 far 0 94 0 - 4.7-5.3 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 5.4-6.6 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-5.9 HA GLU 25 - HB2 ARG 26 far 0 44 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 42 0 - 5.9-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 6.2-6.6 HA ARG 26 - HB2 ARG 17 far 0 50 0 - 7.0-17.9 HA GLU 25 - HB2 ARG 17 far 0 45 0 - 7.3-15.8 HA GLU 25 - HB2 ARG 23 far 0 70 0 - 7.3-8.4 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.3-8.3 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 7.6-8.7 HA ARG 26 - HB2 ARG 23 far 0 76 0 - 7.8-9.1 HA GLU 25 - HB3 ARG 71 far 0 94 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 95 0 - 9.0-12.5 HA ARG 71 - HB2 ARG 23 far 0 79 0 - 9.1-14.0 HA ARG 71 - HB2 ARG 66 far 0 55 0 - 9.4-10.6 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 11 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): 11 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): 10 out of 53 assignments used, quality = 1.00: * HG2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HG2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 95 95 100 99 2.4-3.0 2.9=94, 1439/3.0=17...(48) HG2 ARG 27 + HB3 ARG 27 OK 94 95 100 99 2.3-3.0 2.9=94, 1439/3.0=17...(44) HG3 ARG 27 + HB2 ARG 27 OK 93 94 100 99 2.3-3.0 2.9=94, 1439/3.0=16...(48) HG3 ARG 27 + HB3 ARG 27 OK 93 94 100 99 2.4-3.0 2.9=94, 1439/3.0=16...(44) HG3 ARG 17 + HB2 ARG 17 OK 51 52 100 98 2.3-3.0 2.9=90, 1181/1.8=18...(29) HG2 ARG 17 + HB2 ARG 17 OK 51 52 100 98 2.4-3.0 2.9=90, 1181/1.8=24...(29) HG2 ARG 26 + HB2 ARG 26 OK 50 51 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 26 + HB3 ARG 26 OK 47 49 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 45 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 100 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 99 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 44 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 99 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 70 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 43 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 42 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 53 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 70 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 71 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 95 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 94 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.2-10.2 HG2 ARG 26 - HB2 ARG 17 far 0 52 0 - 7.3-19.0 HG3 ARG 17 - HB3 PRO 34 far 0 51 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 51 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.4-10.7 HD2 LYS 32 - HB2 ARG 17 far 0 48 0 - 7.5-25.5 HD3 LYS 32 - HB2 ARG 17 far 0 50 0 - 7.6-25.2 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 55 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 49 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 47 0 - 8.2-11.6 HD3 LYS 32 - HB3 PRO 34 far 0 49 0 - 8.6-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 51 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 49 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 51 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.6-19.8 HB3 LEU 51 - HB3 PRO 34 far 0 36 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 51 0 - 9.9-15.3 HB3 LEU 51 - HB2 ARG 66 far 0 39 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 2909 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 6 out of 36 assignments used, quality = 0.98: * HG3 ARG 71 + HB2 ARG 71 OK 79 100 90 87 2.3-3.0 2.8=63, 779/776=22...(19) HB3 ARG 17 + HB2 ARG 17 OK 49 49 100 100 1.8-1.8 1.8=100 HG3 ARG 26 + HB2 ARG 26 OK 37 51 90 82 2.2-3.0 3.0=53, 1390/3.9=14...(26) HG2 PRO 34 + HB3 PRO 34 OK 36 48 75 100 2.3-3.0 2.3=100 HG3 ARG 71 + HB3 ARG 71 OK 30 100 35 85 2.2-3.0 2.8=63, 779/4.0=17...(16) HB2 PRO 34 + HB3 PRO 34 OK 25 25 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB3 ARG 26 far 5 49 10 - 2.3-3.0 HG3 ARG 26 - HB3 ARG 23 far 0 79 0 - 4.5-7.4 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 4.6-7.3 HG3 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.2-7.6 HB ILE 33 - HB2 ARG 17 far 0 41 0 - 6.0-17.0 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.2-8.1 HB3 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.3-8.2 HB ILE 33 - HB3 PRO 34 far 0 40 0 - 6.6-6.7 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.7-10.6 HG3 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.8-13.9 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.8-10.2 HB3 ARG 17 - HB3 PRO 34 far 0 48 0 - 6.9-19.5 HB2 LYS 32 - HB3 PRO 34 far 0 33 0 - 6.9-8.5 HB3 LYS 32 - HB2 ARG 17 far 0 34 0 - 6.9-22.8 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 7.3-8.7 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.3-12.2 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 7.4-9.5 HG3 ARG 71 - HB2 ARG 66 far 0 55 0 - 7.4-10.8 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 7.4-8.6 HB2 LEU 62 - HB2 ARG 66 far 0 54 0 - 7.5-8.9 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 7.7-8.8 HB3 ARG 17 - HB3 ARG 26 far 0 46 0 - 7.9-18.0 HB2 ARG 54 - HB3 PRO 34 far 0 43 0 - 7.9-9.4 HB2 PRO 34 - HB2 ARG 17 far 0 26 0 - 8.0-20.7 HB2 LYS 32 - HB2 ARG 17 far 0 34 0 - 8.1-23.4 HG3 ARG 26 - HB2 ARG 17 far 0 52 0 - 8.3-17.3 HB2 LEU 57 - HB3 PRO 34 far 0 42 0 - 8.5-9.2 HG2 PRO 34 - HB2 ARG 17 far 0 49 0 - 9.4-21.4 HB3 ARG 17 - HB2 ARG 26 far 0 49 0 - 9.6-17.2 HB3 LYS 73 - HB2 ARG 66 far 0 31 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.64 A): 12 out of 49 assignments used, quality = 1.00: HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-3.6 3.5=100 * HD2 ARG 71 + HB2 ARG 71 OK 95 100 95 100 2.2-4.1 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 57 60 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 57 60 95 100 2.3-4.2 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 57 60 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 51 60 85 100 2.4-4.2 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 49 49 100 100 2.1-3.8 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 46 48 95 100 2.1-4.1 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 44 49 90 100 2.2-4.2 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 43 48 90 100 2.2-4.2 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 35 37 95 100 2.2-4.1 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 31 37 85 100 2.0-4.2 3.6=100 HD3 ARG 27 - HB2 ARG 26 far 4 24 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 2 41 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 1 24 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 1 23 5 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 23 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 30 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 41 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 40 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 30 0 - 4.5-9.7 HD3 ARG 27 - HB2 ARG 23 far 0 40 0 - 4.8-9.7 HD2 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.5-10.6 HD2 ARG 17 - HB3 PRO 34 far 0 36 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 28 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 6.1-11.3 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.4-11.5 HD2 ARG 23 - HB2 ARG 27 far 0 71 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 79 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 35 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 36 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.3-12.6 HD3 ARG 17 - HB3 ARG 26 far 0 35 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 36 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 36 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 51 0 - 8.9-15.2 HB2 PHE 48 - HB2 ARG 66 far 0 44 0 - 8.9-9.5 HD2 ARG 71 - HB2 ARG 66 far 0 55 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (3.20, 1.85, 30.22 ppm; 3.62 A): 8 out of 31 assignments used, quality = 1.00: HD3 ARG 71 + HB3 ARG 71 OK 90 100 90 100 2.2-4.2 3.5=100 * HD3 ARG 71 + HB2 ARG 71 OK 65 100 65 100 2.8-4.2 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.1-3.8 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 48 48 100 100 2.4-3.7 3.4=100 HD3 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.2-3.7 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 27 27 100 100 2.1-3.8 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 27 28 95 100 2.2-4.2 3.5=100 HD3 ARG 26 + HB2 ARG 26 OK 27 30 90 100 2.2-4.2 3.5=100 HD2 ARG 70 - HB2 ARG 66 far 3 53 5 - 3.5-8.6 HD3 ARG 70 - HB2 ARG 66 far 0 54 0 - 4.2-8.3 HD2 ARG 26 - HB3 ARG 23 far 0 47 0 - 4.7-8.8 HD2 ARG 26 - HB2 ARG 27 far 0 68 0 - 5.3-9.0 HD3 ARG 70 - HB3 ARG 71 far 0 100 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.3-8.6 HD2 ARG 70 - HB3 ARG 71 far 0 99 0 - 5.5-9.4 HD2 ARG 26 - HB2 ARG 23 far 0 46 0 - 5.5-9.4 HD3 ARG 26 - HB3 ARG 23 far 0 49 0 - 6.1-9.0 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 6.2-8.9 HD3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 71 0 - 6.3-9.1 HD2 ARG 26 - HB3 ARG 27 far 0 68 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 48 0 - 6.8-9.8 HD3 ARG 71 - HB2 ARG 23 far 0 79 0 - 6.8-14.5 HD3 ARG 26 - HB2 ARG 17 far 0 30 0 - 6.9-19.0 HD3 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.0-12.9 HD3 ARG 26 - HB3 ARG 27 far 0 71 0 - 7.6-9.8 HD2 ARG 26 - HB2 ARG 17 far 0 29 0 - 8.4-18.6 HD3 ARG 71 - HB2 ARG 26 far 0 51 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 55 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (8.11, 1.85, 30.22 ppm; 3.74 A): 4 out of 15 assignments used, quality = 1.00: H ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.2-3.6 776=100, 779/2.8=63...(16) * H ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-3.6 776/1.8=88, 4.0=82...(14) H ARG 26 + HB2 ARG 26 OK 31 31 100 99 2.4-3.6 3.9=88, 529/3.0=39...(15) H ARG 26 + HB3 ARG 26 OK 30 30 100 100 2.5-3.6 3.9=88, 528/1.8=64...(15) H ARG 26 - HB2 ARG 27 far 0 71 0 - 4.5-5.2 H LYS 75 - HB3 ARG 71 far 0 92 0 - 4.9-7.5 H ARG 26 - HB3 ARG 23 far 0 48 0 - 5.3-6.1 H LYS 75 - HB2 ARG 71 far 0 92 0 - 5.4-7.4 H ARG 26 - HB2 ARG 23 far 0 48 0 - 5.6-6.5 H ARG 26 - HB3 ARG 27 far 0 71 0 - 5.7-6.3 H ARG 71 - HB2 ARG 66 far 0 57 0 - 6.8-8.1 H ARG 26 - HB2 ARG 17 far 0 29 0 - 8.6-16.2 H ARG 71 - HB2 ARG 27 far 0 100 0 - 8.9-11.2 H ARG 71 - HB3 ARG 27 far 0 100 0 - 9.2-10.7 H ARG 26 - HB3 ARG 71 far 0 71 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 2913 from cnoeabs.peaks (4.08, 1.85, 30.22 ppm; 3.25 A): 4 out of 22 assignments used, quality = 1.00: * HA ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.5-2.9 3.0=100 HA ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HA ARG 26 + HB2 ARG 26 OK 51 51 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 49 49 100 100 2.4-2.6 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 48 0 - 4.6-4.7 HA GLU 25 - HB2 ARG 27 far 0 94 0 - 4.7-5.3 HA GLU 25 - HB3 ARG 27 far 0 94 0 - 5.4-6.6 HA ARG 26 - HB2 ARG 27 far 0 99 0 - 5.5-5.9 HA GLU 25 - HB2 ARG 26 far 0 47 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 44 0 - 5.9-6.6 HA ARG 26 - HB3 ARG 27 far 0 99 0 - 6.2-6.6 HA ARG 26 - HB2 ARG 17 far 0 49 0 - 7.0-17.9 HA GLU 25 - HB2 ARG 17 far 0 44 0 - 7.3-15.8 HA GLU 25 - HB2 ARG 23 far 0 69 0 - 7.3-8.4 HA GLU 25 - HB3 ARG 23 far 0 70 0 - 7.3-8.3 HA ARG 26 - HB3 ARG 23 far 0 76 0 - 7.6-8.7 HA ARG 26 - HB2 ARG 23 far 0 75 0 - 7.8-9.1 HA GLU 25 - HB3 ARG 71 far 0 95 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 94 0 - 9.0-12.5 HA ARG 71 - HB2 ARG 23 far 0 78 0 - 9.1-14.0 HA ARG 71 - HB2 ARG 66 far 0 57 0 - 9.4-10.6 HA ARG 71 - HB2 ARG 27 far 0 100 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 2914 from cnoeabs.peaks (1.85, 1.85, 30.22 ppm; diagonal): 11 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): 11 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 53 assignments used, quality = 1.00: * HG2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 ARG 71 + HB2 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HG2 ARG 27 + HB2 ARG 27 OK 95 95 100 99 2.4-3.0 2.9=94, 1439/3.0=17...(48) HG2 ARG 27 + HB3 ARG 27 OK 95 95 100 99 2.3-3.0 2.9=94, 1439/3.0=17...(44) HG3 ARG 27 + HB3 ARG 27 OK 93 94 100 99 2.4-3.0 2.9=94, 1439/3.0=16...(44) HG3 ARG 27 + HB2 ARG 27 OK 93 94 100 99 2.3-3.0 2.9=94, 1439/3.0=16...(48) HG2 ARG 26 + HB2 ARG 26 OK 52 53 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG3 ARG 17 + HB2 ARG 17 OK 50 51 100 98 2.3-3.0 2.9=90, 1181/1.8=18...(29) HG2 ARG 17 + HB2 ARG 17 OK 50 51 100 98 2.4-3.0 2.9=90, 1181/1.8=24...(29) HG2 ARG 26 + HB3 ARG 26 OK 50 51 100 97 2.3-3.0 3.0=88, 529/3.9=23...(33) HG2 ARG 27 - HB2 ARG 26 far 0 48 0 - 3.4-7.4 HG2 ARG 26 - HB2 ARG 27 far 0 100 0 - 3.5-7.9 HG3 ARG 70 - HB2 ARG 71 far 0 99 0 - 3.7-8.2 HG3 ARG 27 - HB2 ARG 26 far 0 47 0 - 3.7-6.7 HG3 ARG 70 - HB3 ARG 71 far 0 99 0 - 3.7-8.4 HG2 ARG 27 - HB3 ARG 23 far 0 71 0 - 4.4-8.9 HG3 ARG 27 - HB3 ARG 23 far 0 70 0 - 4.5-8.6 HG2 ARG 27 - HB3 ARG 26 far 0 45 0 - 4.7-8.0 HG3 ARG 27 - HB3 ARG 26 far 0 44 0 - 4.9-7.6 HG2 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.9-8.3 HG3 ARG 70 - HB2 ARG 66 far 0 55 0 - 4.9-8.0 HG2 ARG 26 - HB3 ARG 27 far 0 100 0 - 4.9-8.5 HG3 ARG 27 - HB2 ARG 23 far 0 69 0 - 5.4-8.9 HG2 ARG 27 - HB2 ARG 23 far 0 70 0 - 5.5-10.0 HG2 ARG 26 - HB2 ARG 23 far 0 78 0 - 5.9-8.7 HG3 ARG 27 - HB2 ARG 71 far 0 94 0 - 6.4-10.4 HG2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.5-10.5 HG3 ARG 27 - HB3 ARG 71 far 0 95 0 - 6.5-10.4 HG2 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.6-12.4 HG2 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.8-10.5 HG2 ARG 27 - HB2 ARG 71 far 0 96 0 - 7.2-10.2 HG2 ARG 26 - HB2 ARG 17 far 0 51 0 - 7.3-19.0 HG3 ARG 17 - HB3 PRO 34 far 0 52 0 - 7.3-20.8 HG2 ARG 17 - HB3 PRO 34 far 0 52 0 - 7.3-20.5 HG2 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.4-10.7 HD2 LYS 32 - HB2 ARG 17 far 0 47 0 - 7.5-25.5 HD3 LYS 32 - HB2 ARG 17 far 0 49 0 - 7.6-25.2 HG2 ARG 27 - HB3 ARG 71 far 0 96 0 - 7.6-10.4 HG2 ARG 71 - HB2 ARG 66 far 0 57 0 - 7.7-10.9 HG3 ARG 17 - HB3 ARG 26 far 0 51 0 - 8.1-20.6 HD3 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.1-11.5 HD2 LYS 32 - HB3 PRO 34 far 0 49 0 - 8.2-11.6 HD3 LYS 32 - HB3 PRO 34 far 0 50 0 - 8.6-11.5 HD2 LYS 73 - HB2 ARG 71 far 0 98 0 - 8.9-11.1 HD3 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.0-11.6 HD3 LYS 73 - HB2 ARG 66 far 0 53 0 - 9.1-14.3 HG2 ARG 17 - HB3 ARG 26 far 0 51 0 - 9.3-19.2 HD2 LYS 73 - HB2 ARG 66 far 0 53 0 - 9.4-14.2 HD2 LYS 73 - HB3 ARG 71 far 0 98 0 - 9.6-11.2 HG3 ARG 17 - HB2 ARG 26 far 0 54 0 - 9.6-19.8 HB3 LEU 51 - HB3 PRO 34 far 0 37 0 - 9.7-11.3 HG2 ARG 71 - HB2 ARG 26 far 0 54 0 - 9.9-15.3 HB3 LEU 51 - HB2 ARG 66 far 0 41 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (1.75, 1.85, 30.22 ppm; 2.40 A): 6 out of 36 assignments used, quality = 0.98: HG3 ARG 71 + HB2 ARG 71 OK 79 100 90 87 2.3-3.0 2.8=63, 779/776=22...(19) HB3 ARG 17 + HB2 ARG 17 OK 48 48 100 100 1.8-1.8 1.8=100 HG3 ARG 26 + HB2 ARG 26 OK 39 53 90 82 2.2-3.0 3.0=53, 1390/3.9=14...(26) HG2 PRO 34 + HB3 PRO 34 OK 37 50 75 100 2.3-3.0 2.3=100 * HG3 ARG 71 + HB3 ARG 71 OK 30 100 35 85 2.2-3.0 2.8=63, 779/4.0=17...(16) HB2 PRO 34 + HB3 PRO 34 OK 26 26 100 100 1.8-1.8 1.8=100 HG3 ARG 26 - HB3 ARG 26 far 5 51 10 - 2.3-3.0 HG3 ARG 26 - HB3 ARG 23 far 0 78 0 - 4.5-7.4 HG3 ARG 26 - HB2 ARG 27 far 0 100 0 - 4.6-7.3 HG3 ARG 26 - HB2 ARG 23 far 0 77 0 - 5.2-7.6 HB ILE 33 - HB2 ARG 17 far 0 40 0 - 6.0-17.0 HG3 ARG 26 - HB3 ARG 27 far 0 100 0 - 6.2-8.1 HB3 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.3-8.2 HB ILE 33 - HB3 PRO 34 far 0 41 0 - 6.6-6.7 HG3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.7-10.6 HG3 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.8-13.9 HG3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.8-10.2 HB3 ARG 17 - HB3 PRO 34 far 0 50 0 - 6.9-19.5 HB2 LYS 32 - HB3 PRO 34 far 0 35 0 - 6.9-8.5 HB3 LYS 32 - HB2 ARG 17 far 0 33 0 - 6.9-22.8 HB3 LYS 73 - HB2 ARG 71 far 0 68 0 - 7.3-8.7 HG3 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.3-12.2 HB ILE 33 - HB2 ARG 27 far 0 88 0 - 7.4-9.5 HG3 ARG 71 - HB2 ARG 66 far 0 57 0 - 7.4-10.8 HB ILE 33 - HB3 ARG 27 far 0 88 0 - 7.4-8.6 HB2 LEU 62 - HB2 ARG 66 far 0 56 0 - 7.5-8.9 HB3 LYS 73 - HB3 ARG 71 far 0 68 0 - 7.7-8.8 HB3 ARG 17 - HB3 ARG 26 far 0 49 0 - 7.9-18.0 HB2 ARG 54 - HB3 PRO 34 far 0 44 0 - 7.9-9.4 HB2 PRO 34 - HB2 ARG 17 far 0 25 0 - 8.0-20.7 HB2 LYS 32 - HB2 ARG 17 far 0 33 0 - 8.1-23.4 HG3 ARG 26 - HB2 ARG 17 far 0 50 0 - 8.3-17.3 HB2 LEU 57 - HB3 PRO 34 far 0 43 0 - 8.5-9.2 HG2 PRO 34 - HB2 ARG 17 far 0 48 0 - 9.4-21.4 HB3 ARG 17 - HB2 ARG 26 far 0 51 0 - 9.6-17.2 HB3 LYS 73 - HB2 ARG 66 far 0 32 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (3.14, 1.85, 30.22 ppm; 3.64 A): 12 out of 49 assignments used, quality = 1.00: * HD2 ARG 71 + HB3 ARG 71 OK 100 100 100 100 2.1-3.6 3.5=100 HD2 ARG 71 + HB2 ARG 71 OK 95 100 95 100 2.2-4.1 3.5=100 HD3 ARG 27 + HB3 ARG 27 OK 57 60 95 100 2.0-4.1 3.5=100 HD2 ARG 27 + HB2 ARG 27 OK 57 60 95 100 2.2-4.2 3.5=100 HD3 ARG 27 + HB2 ARG 27 OK 57 60 95 100 2.3-4.2 3.5=100 HD2 ARG 27 + HB3 ARG 27 OK 51 60 85 100 2.4-4.2 3.5=100 HD3 ARG 23 + HB3 ARG 23 OK 48 48 100 100 2.1-3.8 3.5=100 HD2 ARG 23 + HB2 ARG 23 OK 45 48 95 100 2.1-4.1 3.5=100 HD2 ARG 23 + HB3 ARG 23 OK 43 48 90 100 2.2-4.2 3.5=100 HD3 ARG 23 + HB2 ARG 23 OK 43 48 90 100 2.2-4.2 3.5=100 HD2 ARG 17 + HB2 ARG 17 OK 34 36 95 100 2.2-4.1 3.6=100 HD3 ARG 17 + HB2 ARG 17 OK 31 36 85 100 2.0-4.2 3.6=100 HD3 ARG 27 - HB2 ARG 26 far 4 26 15 - 3.3-7.3 HD2 ARG 27 - HB3 ARG 23 far 2 40 5 - 3.5-7.5 HD2 ARG 27 - HB2 ARG 26 far 1 26 5 - 3.0-8.0 HD3 ARG 27 - HB3 ARG 26 far 1 24 5 - 3.9-8.3 HD2 ARG 27 - HB3 ARG 26 far 0 24 0 - 4.2-8.8 HD2 ARG 23 - HB2 ARG 26 far 0 31 0 - 4.2-9.8 HD3 ARG 27 - HB3 ARG 23 far 0 40 0 - 4.3-8.6 HD2 ARG 27 - HB2 ARG 23 far 0 40 0 - 4.3-9.1 HD3 ARG 23 - HB2 ARG 26 far 0 31 0 - 4.5-9.7 HD3 ARG 27 - HB2 ARG 23 far 0 40 0 - 4.8-9.7 HD2 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.5-10.6 HD2 ARG 17 - HB3 PRO 34 far 0 37 0 - 5.7-20.2 HD3 ARG 23 - HB3 ARG 26 far 0 30 0 - 5.8-10.2 HD2 ARG 27 - HB3 ARG 71 far 0 60 0 - 5.8-10.8 HD2 ARG 27 - HB2 ARG 71 far 0 60 0 - 5.9-10.5 HD3 ARG 27 - HB2 ARG 71 far 0 60 0 - 6.1-11.3 HD3 ARG 27 - HB3 ARG 71 far 0 60 0 - 6.4-11.2 HD2 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.4-11.5 HD2 ARG 23 - HB2 ARG 27 far 0 71 0 - 6.8-11.8 HD2 ARG 71 - HB3 ARG 23 far 0 79 0 - 6.9-11.7 HD2 ARG 17 - HB3 ARG 26 far 0 36 0 - 6.9-18.9 HD3 ARG 17 - HB3 PRO 34 far 0 37 0 - 6.9-21.1 HD2 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.9-13.0 HD3 ARG 23 - HB2 ARG 27 far 0 71 0 - 6.9-10.6 HD2 ARG 71 - HB3 ARG 27 far 0 100 0 - 7.0-11.5 HD2 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.2-12.3 HD3 ARG 23 - HB3 ARG 71 far 0 71 0 - 7.3-12.6 HD3 ARG 17 - HB3 ARG 26 far 0 36 0 - 7.7-20.2 HD2 ARG 17 - HB2 ARG 26 far 0 38 0 - 7.8-18.9 HD3 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.1-13.1 HD3 ARG 23 - HB3 ARG 27 far 0 71 0 - 8.3-11.9 HD2 ARG 23 - HB3 ARG 27 far 0 71 0 - 8.3-13.0 HD2 ARG 23 - HB2 ARG 71 far 0 71 0 - 8.4-13.5 HD3 ARG 17 - HB2 ARG 26 far 0 38 0 - 8.4-20.2 HD2 ARG 71 - HB2 ARG 26 far 0 54 0 - 8.9-15.2 HB2 PHE 48 - HB2 ARG 66 far 0 46 0 - 8.9-9.5 HD2 ARG 71 - HB2 ARG 66 far 0 57 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2919 from cnoeabs.peaks (3.20, 1.85, 30.22 ppm; 3.62 A): 8 out of 31 assignments used, quality = 1.00: * HD3 ARG 71 + HB3 ARG 71 OK 90 100 90 100 2.2-4.2 3.5=100 HD3 ARG 71 + HB2 ARG 71 OK 65 100 65 100 2.8-4.2 3.5=100 HD2 ARG 66 + HB2 ARG 66 OK 52 52 100 100 2.1-3.8 3.4=100 HD3 ARG 66 + HB2 ARG 66 OK 50 50 100 100 2.4-3.7 3.4=100 HD3 ARG 26 + HB3 ARG 26 OK 30 30 100 100 2.2-3.7 3.5=100 HD2 ARG 26 + HB3 ARG 26 OK 28 28 100 100 2.1-3.8 3.5=100 HD2 ARG 26 + HB2 ARG 26 OK 28 30 95 100 2.2-4.2 3.5=100 HD3 ARG 26 + HB2 ARG 26 OK 28 31 90 100 2.2-4.2 3.5=100 HD2 ARG 70 - HB2 ARG 66 far 3 55 5 - 3.5-8.6 HD3 ARG 70 - HB2 ARG 66 far 0 56 0 - 4.2-8.3 HD2 ARG 26 - HB3 ARG 23 far 0 46 0 - 4.7-8.8 HD2 ARG 26 - HB2 ARG 27 far 0 68 0 - 5.3-9.0 HD3 ARG 70 - HB3 ARG 71 far 0 100 0 - 5.3-9.6 HD3 ARG 70 - HB2 ARG 71 far 0 100 0 - 5.3-8.6 HD2 ARG 70 - HB3 ARG 71 far 0 99 0 - 5.5-9.4 HD2 ARG 26 - HB2 ARG 23 far 0 46 0 - 5.5-9.4 HD3 ARG 26 - HB3 ARG 23 far 0 48 0 - 6.1-9.0 HD2 ARG 70 - HB2 ARG 71 far 0 99 0 - 6.2-8.9 HD3 ARG 71 - HB2 ARG 27 far 0 100 0 - 6.2-12.4 HD3 ARG 71 - HB3 ARG 27 far 0 100 0 - 6.3-12.2 HD3 ARG 26 - HB2 ARG 27 far 0 71 0 - 6.3-9.1 HD2 ARG 26 - HB3 ARG 27 far 0 68 0 - 6.6-9.7 HD3 ARG 26 - HB2 ARG 23 far 0 48 0 - 6.8-9.8 HD3 ARG 71 - HB2 ARG 23 far 0 78 0 - 6.8-14.5 HD3 ARG 26 - HB2 ARG 17 far 0 29 0 - 6.9-19.0 HD3 ARG 71 - HB3 ARG 23 far 0 79 0 - 7.0-12.9 HD3 ARG 26 - HB3 ARG 27 far 0 71 0 - 7.6-9.8 HD2 ARG 26 - HB2 ARG 17 far 0 28 0 - 8.4-18.6 HD3 ARG 71 - HB2 ARG 26 far 0 54 0 - 9.3-16.2 HD3 ARG 71 - HB2 ARG 66 far 0 57 0 - 9.3-12.4 HD2 ARG 66 - HB2 ARG 71 far 0 97 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2920 from cnoeabs.peaks (8.11, 1.62, 28.82 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * H ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.0-4.4 779/1.8=93, 776/2.8=85...(18) H LYS 75 - HD3 LYS 73 far 0 87 0 - 5.3-8.2 H LYS 75 - HG2 ARG 71 far 0 92 0 - 5.7-9.2 H LYS 75 - HD2 LYS 73 far 0 87 0 - 5.8-8.1 H ARG 71 - HD3 LYS 73 far 0 98 0 - 6.3-9.8 H ARG 71 - HD2 LYS 73 far 0 98 0 - 7.2-9.4 H ARG 26 - HG2 ARG 71 far 0 71 0 - 9.6-13.9 Violated in 1 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (4.08, 1.62, 28.82 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.2-4.0 3.8=100 HA ARG 71 - HD3 LYS 73 far 0 98 0 - 7.4-9.9 HA ARG 71 - HD2 LYS 73 far 0 98 0 - 7.8-9.5 HA GLU 25 - HG2 ARG 71 far 0 95 0 - 9.1-13.6 Violated in 1 structures by 0.00 A. Peak 2922 from cnoeabs.peaks (1.85, 1.62, 28.82 ppm; 3.09 A): 2 out of 21 assignments used, quality = 1.00: * HB2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.5-10.5 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 6.6-10.8 HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 6.6-12.4 HB2 LYS 75 - HD3 LYS 73 far 0 94 0 - 6.7-10.6 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.8-10.5 HB2 LYS 75 - HD2 LYS 73 far 0 94 0 - 7.2-9.9 HB3 ARG 23 - HG2 ARG 71 far 0 100 0 - 7.4-10.7 HB2 ARG 17 - HD2 LYS 32 far 0 90 0 - 7.5-25.5 HB2 ARG 17 - HD3 LYS 32 far 0 92 0 - 7.6-25.2 HB2 ARG 66 - HG2 ARG 71 far 0 76 0 - 7.7-10.9 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.1-11.5 HB3 PRO 34 - HD2 LYS 32 far 0 76 0 - 8.2-11.6 HB3 PRO 34 - HD3 LYS 32 far 0 77 0 - 8.6-11.5 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.9-11.1 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 9.0-11.6 HB2 ARG 66 - HD3 LYS 73 far 0 71 0 - 9.1-14.3 HB2 ARG 66 - HD2 LYS 73 far 0 71 0 - 9.4-14.2 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.6-11.2 HB2 ARG 26 - HG2 ARG 71 far 0 65 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (1.85, 1.62, 28.82 ppm; 3.09 A): 2 out of 21 assignments used, quality = 1.00: * HB3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.4-3.0 2.8=100 HB2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.5-10.5 HB2 LYS 75 - HG2 ARG 71 far 0 97 0 - 6.6-10.8 HB2 ARG 23 - HG2 ARG 71 far 0 99 0 - 6.6-12.4 HB2 LYS 75 - HD3 LYS 73 far 0 93 0 - 6.7-10.6 HB3 ARG 27 - HG2 ARG 71 far 0 100 0 - 6.8-10.5 HB2 LYS 75 - HD2 LYS 73 far 0 93 0 - 7.2-9.9 HB3 ARG 23 - HG2 ARG 71 far 0 99 0 - 7.4-10.7 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-25.5 HB2 ARG 17 - HD3 LYS 32 far 0 90 0 - 7.6-25.2 HB2 ARG 66 - HG2 ARG 71 far 0 78 0 - 7.7-10.9 HB2 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.1-11.5 HB3 PRO 34 - HD2 LYS 32 far 0 78 0 - 8.2-11.6 HB3 PRO 34 - HD3 LYS 32 far 0 80 0 - 8.6-11.5 HB2 ARG 71 - HD2 LYS 73 far 0 98 0 - 8.9-11.1 HB3 ARG 71 - HD3 LYS 73 far 0 98 0 - 9.0-11.6 HB2 ARG 66 - HD3 LYS 73 far 0 73 0 - 9.1-14.3 HB2 ARG 66 - HD2 LYS 73 far 0 73 0 - 9.4-14.2 HB3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.6-11.2 HB2 ARG 26 - HG2 ARG 71 far 0 68 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. 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): 7 out of 20 assignments used, quality = 1.00: * HG3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 32 + HD3 LYS 32 OK 42 75 60 92 2.2-3.7 3.5=51, 1.8/1571=11...(44) HB3 LYS 73 + HD2 LYS 73 OK 41 64 80 80 2.2-4.2 3.5=48, 3.0/3019=11...(22) HB2 LYS 32 + HD2 LYS 32 OK 37 73 55 93 2.0-3.8 3.5=51, 1.8/1581=11...(42) HB2 LYS 32 + HD3 LYS 32 OK 35 75 50 92 2.0-4.0 3.5=51, 1.8/1581=13...(42) HB3 LYS 32 + HD2 LYS 32 OK 34 73 50 92 2.1-3.9 3.5=51, 1.8/1571=11...(44) HB3 LYS 73 + HD3 LYS 73 OK 30 64 60 79 2.1-3.6 3.5=48, 3.0/3019=11...(20) HB3 ARG 17 - HD3 LYS 32 far 0 97 0 - 7.1-23.6 HB3 LYS 73 - HG2 ARG 71 far 0 68 0 - 7.3-10.1 HB2 LEU 43 - HD2 LYS 73 far 0 61 0 - 7.3-12.0 HB2 LEU 43 - HD3 LYS 73 far 0 61 0 - 7.6-11.9 HB2 PRO 34 - HD3 LYS 32 far 0 60 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 58 0 - 8.2-11.7 HB ILE 33 - HD3 LYS 32 far 0 86 0 - 8.5-9.8 HB3 ARG 17 - HD2 LYS 32 far 0 95 0 - 8.5-23.8 HB ILE 33 - HD2 LYS 32 far 0 84 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 95 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 97 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.9-12.2 HG3 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 2926 from cnoeabs.peaks (3.14, 1.62, 28.82 ppm; 4.27 A): 1 out of 13 assignments used, quality = 1.00: * HD2 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 27 - HG2 ARG 71 far 3 60 5 - 4.3-11.1 HD3 ARG 27 - HG2 ARG 71 far 0 60 0 - 5.3-10.5 HD2 ARG 17 - HD2 LYS 32 far 0 78 0 - 5.4-24.6 HD3 ARG 17 - HD2 LYS 32 far 0 78 0 - 5.9-25.0 HB2 PHE 48 - HD2 LYS 73 far 0 86 0 - 6.4-12.6 HD2 ARG 17 - HD3 LYS 32 far 0 80 0 - 6.5-24.4 HD3 ARG 17 - HD3 LYS 32 far 0 80 0 - 6.9-24.8 HB2 PHE 48 - HD3 LYS 73 far 0 86 0 - 7.1-11.9 HD2 ARG 23 - HG2 ARG 71 far 0 71 0 - 8.0-13.5 HD2 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.7-13.5 HD3 ARG 23 - HG2 ARG 71 far 0 71 0 - 9.1-13.5 HD2 ARG 71 - HD2 LYS 73 far 0 98 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2927 from cnoeabs.peaks (3.20, 1.62, 28.82 ppm; 4.04 A): 1 out of 12 assignments used, quality = 1.00: * HD3 ARG 71 + HG2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 70 - HG2 ARG 71 far 0 100 0 - 4.8-8.7 HD2 ARG 70 - HG2 ARG 71 far 0 99 0 - 5.1-8.5 HD2 ARG 70 - HD2 LYS 73 far 0 96 0 - 5.6-10.9 HD3 ARG 70 - HD2 LYS 73 far 0 97 0 - 5.8-11.4 HD2 ARG 70 - HD3 LYS 73 far 0 96 0 - 5.8-11.7 HD3 ARG 70 - HD3 LYS 73 far 0 97 0 - 6.1-12.2 HD3 ARG 71 - HD3 LYS 73 far 0 98 0 - 8.7-13.6 HD2 ARG 66 - HD2 LYS 73 far 0 93 0 - 9.0-16.1 HD2 ARG 66 - HD3 LYS 73 far 0 93 0 - 9.8-17.1 HD3 ARG 66 - HG2 ARG 71 far 0 95 0 - 10.0-13.5 HD2 ARG 66 - HG2 ARG 71 far 0 97 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (8.11, 1.75, 28.82 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.1-3.7 779=100, 776/2.8=80...(15) H LYS 75 - HG3 ARG 71 far 0 92 0 - 5.7-8.4 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (4.08, 1.75, 28.82 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.6-4.2 3.8=100 HA GLU 25 - HG3 ARG 71 far 0 95 0 - 9.4-13.9 HA ALA 63 - HG3 ARG 71 far 0 93 0 - 9.7-13.4 Violated in 3 structures by 0.02 A. Peak 2930 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 6.6-10.3 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.7-10.6 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.8-13.9 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.8-10.2 HB3 ARG 23 - HG3 ARG 71 far 0 100 0 - 7.3-12.2 HB2 ARG 66 - HG3 ARG 71 far 0 76 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (1.85, 1.75, 28.82 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 2.8=100 HB2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 LYS 75 - HG3 ARG 71 far 0 97 0 - 6.6-10.3 HB2 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.7-10.6 HB2 ARG 23 - HG3 ARG 71 far 0 99 0 - 6.8-13.9 HB3 ARG 27 - HG3 ARG 71 far 0 100 0 - 6.8-10.2 HB3 ARG 23 - HG3 ARG 71 far 0 99 0 - 7.3-12.2 HB2 ARG 66 - HG3 ARG 71 far 0 78 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 2932 from cnoeabs.peaks (1.62, 1.75, 28.82 ppm; 2.76 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 70 - HG3 ARG 71 far 5 99 5 - 2.6-8.1 HG3 ARG 27 - HG3 ARG 71 far 0 95 0 - 5.8-10.8 HG2 ARG 27 - HG3 ARG 71 far 0 96 0 - 6.0-10.8 HD3 LYS 73 - HG3 ARG 71 far 0 98 0 - 8.9-12.2 HD2 LYS 73 - HG3 ARG 71 far 0 98 0 - 9.5-11.7 HG2 ARG 26 - HG3 ARG 71 far 0 100 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. 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; 4.17 A): 1 out of 5 assignments used, quality = 1.00: * HD2 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 27 - HG3 ARG 71 far 0 60 0 - 5.6-11.1 HD3 ARG 27 - HG3 ARG 71 far 0 60 0 - 6.0-11.3 HD2 ARG 23 - HG3 ARG 71 far 0 71 0 - 7.7-14.7 HD3 ARG 23 - HG3 ARG 71 far 0 71 0 - 8.5-14.7 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (3.20, 1.75, 28.82 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 71 + HG3 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 70 - HG3 ARG 71 far 5 100 5 - 3.8-9.2 HD2 ARG 70 - HG3 ARG 71 far 0 99 0 - 4.4-8.5 HD2 ARG 66 - HG3 ARG 71 far 0 97 0 - 9.4-14.3 HD3 ARG 66 - HG3 ARG 71 far 0 95 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2937 from cnoeabs.peaks (4.08, 3.14, 43.10 ppm; 4.06 A): 1 out of 20 assignments used, quality = 1.00: * HA ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.2-4.1 2902=77, 2900/3.0=34...(34) HA ARG 26 - HD2 ARG 27 far 0 58 0 - 5.1-8.3 HA ARG 26 - HD3 ARG 27 far 0 58 0 - 5.2-8.8 HA GLU 25 - HD2 ARG 27 far 0 52 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 52 0 - 6.3-8.5 HA ARG 26 - HD2 ARG 17 far 0 80 0 - 6.4-17.1 HA ARG 26 - HD3 ARG 17 far 0 80 0 - 6.7-18.1 HA ARG 26 - HD2 ARG 23 far 0 68 0 - 6.9-11.4 HA ARG 26 - HD3 ARG 23 far 0 68 0 - 7.4-10.8 HA ARG 71 - HD2 ARG 27 far 0 60 0 - 7.8-12.9 HA GLU 25 - HD2 ARG 23 far 0 62 0 - 8.3-10.8 HA ARG 71 - HD3 ARG 27 far 0 60 0 - 8.7-13.4 HA GLU 25 - HD3 ARG 23 far 0 62 0 - 8.7-11.1 HA GLU 25 - HD2 ARG 71 far 0 95 0 - 8.8-14.6 HA GLU 25 - HD3 ARG 17 far 0 74 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 74 0 - 9.2-17.0 HA ARG 71 - HD2 ARG 23 far 0 71 0 - 9.4-14.5 HA ARG 71 - HD3 ARG 23 far 0 71 0 - 9.7-15.0 HA ALA 63 - HD2 ARG 27 far 0 51 0 - 9.8-13.4 HA ALA 63 - HD3 ARG 27 far 0 51 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.69 A increased from 3.28 A): 12 out of 52 assignments used, quality = 1.00: HB3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.1-3.6 3.5=100 * HB2 ARG 71 + HD2 ARG 71 OK 95 100 95 100 2.2-4.1 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 70 74 95 100 2.2-4.1 3.6=100 HB3 ARG 23 + HD3 ARG 23 OK 70 70 100 100 2.1-3.8 3.5=100 HB2 ARG 17 + HD3 ARG 17 OK 66 74 90 100 2.0-4.2 3.6=100 HB2 ARG 23 + HD2 ARG 23 OK 65 69 95 100 2.1-4.1 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 63 70 90 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 62 69 90 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 57 60 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 57 60 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 57 60 95 100 2.0-4.1 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 51 60 85 100 2.4-4.2 3.5=100 HB2 ARG 26 - HD3 ARG 27 far 5 32 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 3 59 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 2 32 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 2 31 5 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 31 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 39 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 59 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 58 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 39 0 - 4.5-9.7 HB2 ARG 23 - HD3 ARG 27 far 0 58 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 97 0 - 5.1-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 37 0 - 5.5-10.6 HB3 PRO 34 - HD2 ARG 17 far 0 60 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 37 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.1-11.3 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 100 0 - 6.4-11.5 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 100 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 45 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 60 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 99 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 6.9-10.6 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.3-12.6 HB3 ARG 26 - HD3 ARG 17 far 0 45 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 47 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 47 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 65 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 66 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 76 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (1.85, 3.14, 43.10 ppm; 3.69 A increased from 3.28 A): 12 out of 52 assignments used, quality = 1.00: * HB3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.1-3.6 3.5=100 HB2 ARG 71 + HD2 ARG 71 OK 95 100 95 100 2.2-4.1 3.5=100 HB3 ARG 23 + HD3 ARG 23 OK 69 69 100 100 2.1-3.8 3.5=100 HB2 ARG 17 + HD2 ARG 17 OK 69 72 95 100 2.2-4.1 3.6=100 HB2 ARG 17 + HD3 ARG 17 OK 65 72 90 100 2.0-4.2 3.6=100 HB2 ARG 23 + HD2 ARG 23 OK 65 68 95 100 2.1-4.1 3.5=100 HB3 ARG 23 + HD2 ARG 23 OK 62 69 90 100 2.2-4.2 3.5=100 HB2 ARG 23 + HD3 ARG 23 OK 61 68 90 100 2.2-4.2 3.5=100 HB3 ARG 27 + HD3 ARG 27 OK 57 60 95 100 2.0-4.1 3.5=100 HB2 ARG 27 + HD2 ARG 27 OK 57 60 95 100 2.2-4.2 3.5=100 HB2 ARG 27 + HD3 ARG 27 OK 57 60 95 100 2.3-4.2 3.5=100 HB3 ARG 27 + HD2 ARG 27 OK 51 60 85 100 2.4-4.2 3.5=100 HB2 ARG 26 - HD3 ARG 27 far 5 34 15 - 3.3-7.3 HB3 ARG 23 - HD2 ARG 27 far 3 58 5 - 3.5-7.5 HB2 ARG 26 - HD2 ARG 27 far 2 34 5 - 3.0-8.0 HB3 ARG 26 - HD3 ARG 27 far 2 32 5 - 3.9-8.3 HB3 ARG 26 - HD2 ARG 27 far 0 32 0 - 4.2-8.8 HB2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.2-9.8 HB3 ARG 23 - HD3 ARG 27 far 0 58 0 - 4.3-8.6 HB2 ARG 23 - HD2 ARG 27 far 0 58 0 - 4.3-9.1 HB2 ARG 26 - HD3 ARG 23 far 0 41 0 - 4.5-9.7 HB2 ARG 23 - HD3 ARG 27 far 0 58 0 - 4.8-9.7 HB2 LYS 75 - HD2 ARG 71 far 0 97 0 - 5.1-10.0 HB3 ARG 26 - HD2 ARG 23 far 0 39 0 - 5.5-10.6 HB3 PRO 34 - HD2 ARG 17 far 0 62 0 - 5.7-20.2 HB3 ARG 26 - HD3 ARG 23 far 0 39 0 - 5.8-10.2 HB3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.8-10.8 HB2 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.9-10.5 HB2 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.1-11.3 HB3 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.4-11.2 HB2 ARG 27 - HD2 ARG 71 far 0 100 0 - 6.4-11.5 HB2 ARG 27 - HD2 ARG 23 far 0 71 0 - 6.8-11.8 HB3 ARG 23 - HD2 ARG 71 far 0 99 0 - 6.9-11.7 HB3 ARG 26 - HD2 ARG 17 far 0 47 0 - 6.9-18.9 HB3 PRO 34 - HD3 ARG 17 far 0 62 0 - 6.9-21.1 HB2 ARG 23 - HD2 ARG 71 far 0 99 0 - 6.9-13.0 HB2 ARG 27 - HD3 ARG 23 far 0 71 0 - 6.9-10.6 HB3 ARG 27 - HD2 ARG 71 far 0 100 0 - 7.0-11.5 HB3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.2-12.3 HB3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.3-12.6 HB3 ARG 26 - HD3 ARG 17 far 0 47 0 - 7.7-20.2 HB2 ARG 26 - HD2 ARG 17 far 0 50 0 - 7.8-18.9 HB2 ARG 71 - HD3 ARG 23 far 0 71 0 - 8.1-13.1 HB3 ARG 27 - HD3 ARG 23 far 0 71 0 - 8.3-11.9 HB2 LYS 39 - HD2 ARG 17 far 0 83 0 - 8.3-23.1 HB3 ARG 27 - HD2 ARG 23 far 0 71 0 - 8.3-13.0 HB2 ARG 71 - HD2 ARG 23 far 0 71 0 - 8.4-13.5 HB2 ARG 26 - HD3 ARG 17 far 0 50 0 - 8.4-20.2 HB2 LYS 39 - HD3 ARG 17 far 0 83 0 - 8.5-24.0 HB2 ARG 26 - HD2 ARG 71 far 0 68 0 - 8.9-15.2 HB2 LYS 75 - HD3 ARG 23 far 0 65 0 - 9.0-17.8 HB2 ARG 66 - HD2 ARG 71 far 0 78 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (1.62, 3.14, 43.10 ppm; 3.02 A): 13 out of 44 assignments used, quality = 1.00: * HG2 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 17 + HD2 ARG 17 OK 83 83 100 100 2.2-3.0 3.0=100 HG3 ARG 17 + HD3 ARG 17 OK 83 83 100 100 2.4-3.0 3.0=100 HG2 ARG 17 + HD3 ARG 17 OK 83 83 100 100 2.3-3.0 3.0=100 HG2 ARG 17 + HD2 ARG 17 OK 83 83 100 100 2.4-3.0 3.0=100 HG3 ARG 84 + HD2 ARG 84 OK 66 66 100 100 2.2-3.0 2.9=100 HG2 ARG 84 + HD2 ARG 84 OK 66 66 100 100 2.4-3.0 2.9=100 HG2 ARG 84 + HD3 ARG 84 OK 64 64 100 100 2.2-3.0 2.9=100 HG3 ARG 84 + HD3 ARG 84 OK 64 64 100 100 2.4-3.0 2.9=100 HG2 ARG 27 + HD3 ARG 27 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 ARG 27 + HD2 ARG 27 OK 53 53 100 100 2.6-3.0 3.0=100 HG3 ARG 27 + HD2 ARG 27 OK 52 52 100 100 2.2-3.0 3.0=100 HG3 ARG 27 + HD3 ARG 27 OK 52 52 100 100 2.6-3.0 3.0=100 HG2 ARG 26 - HD3 ARG 27 far 3 60 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 71 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 60 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 99 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 78 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 60 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 76 0 - 4.3-12.2 HG2 ARG 84 - HD2 ARG 82 far 0 61 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 98 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 71 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 83 0 - 4.8-18.2 HG3 ARG 27 - HD2 ARG 71 far 0 95 0 - 4.9-11.5 HG2 ARG 71 - HD3 ARG 27 far 0 60 0 - 5.3-10.5 HG3 ARG 84 - HD2 ARG 82 far 0 61 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 83 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 78 0 - 5.4-24.6 HG2 ARG 27 - HD3 ARG 23 far 0 63 0 - 5.4-9.6 HG3 ARG 27 - HD2 ARG 23 far 0 62 0 - 5.8-11.0 HD2 LYS 32 - HD3 ARG 17 far 0 78 0 - 5.9-25.0 HG2 ARG 27 - HD2 ARG 23 far 0 63 0 - 6.0-10.1 HG2 ARG 27 - HD2 ARG 71 far 0 96 0 - 6.0-11.9 HB2 LEU 86 - HD3 ARG 84 far 0 97 0 - 6.1-12.0 HG3 ARG 27 - HD3 ARG 23 far 0 62 0 - 6.1-10.4 HD3 LYS 32 - HD2 ARG 17 far 0 80 0 - 6.5-24.4 HD3 LYS 32 - HD3 ARG 17 far 0 80 0 - 6.9-24.8 HG2 ARG 71 - HD2 ARG 23 far 0 71 0 - 8.0-13.5 HB2 LEU 86 - HD2 ARG 82 far 0 95 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 98 0 - 8.7-13.5 HG2 ARG 71 - HD3 ARG 23 far 0 71 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 73 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 98 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (1.75, 3.14, 43.10 ppm; 3.11 A): 6 out of 36 assignments used, quality = 1.00: * HG3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 82 + HD2 ARG 82 OK 51 86 70 85 2.4-4.1 3.6=62, 5479/3.0=49...(4) HB3 ARG 17 + HD2 ARG 17 OK 45 79 60 95 2.1-4.2 3.6=65, 1167/3.0=24...(23) HB2 ARG 84 + HD3 ARG 84 OK 40 67 65 93 2.1-4.2 3.5=69, 3380/2.9=14...(21) HB2 ARG 84 + HD2 ARG 84 OK 38 68 60 93 2.3-3.8 3.5=69, 3380/2.9=14...(21) HB3 ARG 17 + HD3 ARG 17 OK 38 79 50 95 2.2-3.8 3.6=65, 1167/3.0=24...(23) HG3 ARG 26 - HD3 ARG 27 far 0 60 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 70 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 70 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 56 0 - 4.5-9.3 HB3 LYS 32 - HD3 ARG 17 far 0 58 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 58 0 - 4.9-21.8 HB3 ARG 82 - HD2 ARG 84 far 0 91 0 - 5.1-12.1 HG3 ARG 26 - HD2 ARG 27 far 0 60 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 58 0 - 5.2-10.1 HB ILE 33 - HD3 ARG 17 far 0 68 0 - 5.3-19.6 HB3 ARG 82 - HD3 ARG 84 far 0 89 0 - 5.4-12.4 HG3 ARG 71 - HD2 ARG 27 far 0 60 0 - 5.6-11.1 HB ILE 33 - HD2 ARG 17 far 0 68 0 - 5.9-18.0 HG3 ARG 71 - HD3 ARG 27 far 0 60 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 54 0 - 6.1-14.2 HB2 PRO 34 - HD2 ARG 17 far 0 45 0 - 6.1-19.5 HG3 ARG 26 - HD2 ARG 17 far 0 82 0 - 6.1-17.7 HB2 LYS 32 - HD3 ARG 17 far 0 58 0 - 6.2-23.0 HB2 LYS 32 - HD2 ARG 17 far 0 58 0 - 6.5-22.6 HG3 ARG 26 - HD3 ARG 17 far 0 82 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 64 0 - 7.1-12.3 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.5-10.3 HB2 PRO 34 - HD3 ARG 17 far 0 45 0 - 7.7-21.1 HG2 PRO 34 - HD2 ARG 17 far 0 79 0 - 7.7-21.4 HG3 ARG 71 - HD2 ARG 23 far 0 71 0 - 7.7-14.7 HG2 PRO 34 - HD3 ARG 17 far 0 79 0 - 8.3-23.1 HG3 ARG 71 - HD3 ARG 23 far 0 71 0 - 8.5-14.7 HB ILE 33 - HD3 ARG 27 far 0 47 0 - 9.5-11.9 HB ILE 33 - HD2 ARG 27 far 0 47 0 - 9.6-11.6 HG3 ARG 26 - HD2 ARG 71 far 0 100 0 - 9.7-17.0 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (3.14, 3.14, 43.10 ppm; diagonal): 10 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 21 assignments used, quality = 1.00: * HD3 ARG 71 + HD2 ARG 71 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 26 - HD3 ARG 23 far 0 41 0 - 3.1-10.2 HD2 ARG 26 - HD3 ARG 27 far 0 34 0 - 3.4-10.5 HD3 ARG 71 - HD2 ARG 27 far 0 60 0 - 3.8-11.7 HD2 ARG 26 - HD2 ARG 27 far 0 34 0 - 3.8-9.8 HD3 ARG 71 - HD3 ARG 27 far 0 60 0 - 4.2-12.2 HD3 ARG 70 - HD2 ARG 71 far 0 100 0 - 4.6-9.5 HD3 ARG 26 - HD3 ARG 23 far 0 43 0 - 4.6-11.0 HD2 ARG 26 - HD2 ARG 23 far 0 41 0 - 4.7-10.1 HD3 ARG 26 - HD2 ARG 17 far 0 52 0 - 4.7-18.9 HD2 ARG 70 - HD2 ARG 71 far 0 99 0 - 4.7-10.3 HD3 ARG 26 - HD3 ARG 27 far 0 35 0 - 4.8-11.1 HD3 ARG 26 - HD2 ARG 27 far 0 35 0 - 5.4-10.6 HD3 ARG 26 - HD3 ARG 17 far 0 52 0 - 5.8-19.5 HD2 ARG 26 - HD2 ARG 17 far 0 50 0 - 5.9-19.5 HD3 ARG 26 - HD2 ARG 23 far 0 43 0 - 6.1-10.8 HD2 ARG 26 - HD3 ARG 17 far 0 50 0 - 7.1-20.5 HD3 ARG 71 - HD3 ARG 23 far 0 71 0 - 7.8-15.0 HD3 ARG 71 - HD2 ARG 23 far 0 71 0 - 8.0-14.8 HD3 ARG 70 - HD3 ARG 27 far 0 59 0 - 9.3-16.4 HD3 ARG 70 - HD2 ARG 27 far 0 59 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (4.08, 3.20, 43.10 ppm; 4.72 A increased from 4.44 A): 5 out of 12 assignments used, quality = 1.00: * HA ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.2-5.0 4.7=100 HA ARG 26 + HD3 ARG 26 OK 68 68 100 100 2.4-4.8 4.8=95, 1363/3.0=47...(47) HA ARG 26 + HD2 ARG 26 OK 59 66 90 100 2.4-5.4 4.8=95, 1363/3.0=47...(47) HA ALA 63 + HD2 ARG 66 OK 38 48 80 99 2.7-6.1 4684/3.4=67, 5370/3.0=63...(9) HA ALA 63 + HD3 ARG 66 OK 34 46 75 99 2.7-6.4 4684/3.4=67, 5370/3.0=63...(9) HA ARG 71 - HD2 ARG 70 poor 15 58 25 - 3.9-7.8 HA ARG 71 - HD3 ARG 70 far 9 59 15 - 4.1-7.9 HA GLU 25 - HD2 ARG 26 far 0 60 0 - 6.7-8.2 HA GLU 25 - HD3 ARG 26 far 0 62 0 - 6.8-8.2 HA ALA 63 - HD2 ARG 70 far 0 50 0 - 7.7-12.6 HA ALA 63 - HD3 ARG 70 far 0 50 0 - 7.9-12.5 HA GLU 25 - HD3 ARG 71 far 0 95 0 - 8.9-15.3 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.46 A increased from 3.07 A): 8 out of 34 assignments used, quality = 0.99: HB3 ARG 71 + HD3 ARG 71 OK 85 100 85 99 2.2-4.2 3.5=94, ~2937=27...(34) HB3 ARG 26 + HD3 ARG 26 OK 37 37 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 35 37 95 100 2.2-4.2 3.5=100 * HB2 ARG 71 + HD3 ARG 71 OK 35 100 35 99 2.8-4.2 3.5=94, ~2937=27...(32) HB2 ARG 66 + HD3 ARG 66 OK 35 35 100 100 2.4-3.7 3.4=100 HB3 ARG 26 + HD2 ARG 26 OK 34 36 95 100 2.1-3.8 3.5=100 HB2 ARG 66 + HD2 ARG 66 OK 32 36 90 100 2.1-3.8 3.4=100 HB2 ARG 26 + HD3 ARG 26 OK 25 39 65 100 2.2-4.2 3.5=100 HB2 ARG 66 - HD2 ARG 70 far 2 37 5 - 3.5-8.6 HB2 ARG 66 - HD3 ARG 70 far 0 38 0 - 4.2-8.3 HB3 ARG 23 - HD2 ARG 26 far 0 67 0 - 4.7-8.8 HB2 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.3-9.0 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-9.6 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-8.6 HB3 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.5-9.4 HB2 ARG 23 - HD2 ARG 26 far 0 66 0 - 5.5-9.4 HB2 LYS 75 - HD3 ARG 71 far 0 97 0 - 5.9-11.5 HB3 ARG 23 - HD3 ARG 26 far 0 70 0 - 6.1-9.0 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 6.2-8.9 HB2 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 71 0 - 6.3-9.1 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 69 0 - 6.8-9.8 HB2 ARG 23 - HD3 ARG 71 far 0 99 0 - 6.8-14.5 HB2 ARG 17 - HD3 ARG 26 far 0 62 0 - 6.9-19.0 HB3 ARG 23 - HD3 ARG 71 far 0 100 0 - 7.0-12.9 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 7.6-9.8 HB2 ARG 17 - HD2 ARG 26 far 0 60 0 - 8.4-18.6 HB2 LYS 75 - HD3 ARG 70 far 0 55 0 - 9.0-13.3 HB2 LYS 75 - HD2 ARG 70 far 0 54 0 - 9.1-14.3 HB2 ARG 26 - HD3 ARG 71 far 0 65 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 76 0 - 9.3-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.85, 3.20, 43.10 ppm; 3.46 A increased from 3.07 A): 8 out of 34 assignments used, quality = 0.99: * HB3 ARG 71 + HD3 ARG 71 OK 85 100 85 99 2.2-4.2 3.5=94, ~2937=27...(34) HB3 ARG 26 + HD3 ARG 26 OK 39 39 100 100 2.2-3.7 3.5=100 HB2 ARG 26 + HD2 ARG 26 OK 37 39 95 100 2.2-4.2 3.5=100 HB2 ARG 66 + HD3 ARG 66 OK 36 36 100 100 2.4-3.7 3.4=100 HB3 ARG 26 + HD2 ARG 26 OK 35 37 95 100 2.1-3.8 3.5=100 HB2 ARG 71 + HD3 ARG 71 OK 35 100 35 99 2.8-4.2 3.5=94, ~2937=27...(32) HB2 ARG 66 + HD2 ARG 66 OK 34 37 90 100 2.1-3.8 3.4=100 HB2 ARG 26 + HD3 ARG 26 OK 26 41 65 100 2.2-4.2 3.5=100 HB2 ARG 66 - HD2 ARG 70 far 2 39 5 - 3.5-8.6 HB2 ARG 66 - HD3 ARG 70 far 0 39 0 - 4.2-8.3 HB3 ARG 23 - HD2 ARG 26 far 0 66 0 - 4.7-8.8 HB2 ARG 27 - HD2 ARG 26 far 0 68 0 - 5.3-9.0 HB3 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-9.6 HB2 ARG 71 - HD3 ARG 70 far 0 59 0 - 5.3-8.6 HB3 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.5-9.4 HB2 ARG 23 - HD2 ARG 26 far 0 66 0 - 5.5-9.4 HB2 LYS 75 - HD3 ARG 71 far 0 97 0 - 5.9-11.5 HB3 ARG 23 - HD3 ARG 26 far 0 69 0 - 6.1-9.0 HB2 ARG 71 - HD2 ARG 70 far 0 58 0 - 6.2-8.9 HB2 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.2-12.4 HB3 ARG 27 - HD3 ARG 71 far 0 100 0 - 6.3-12.2 HB2 ARG 27 - HD3 ARG 26 far 0 71 0 - 6.3-9.1 HB3 ARG 27 - HD2 ARG 26 far 0 68 0 - 6.6-9.7 HB2 ARG 23 - HD3 ARG 26 far 0 68 0 - 6.8-9.8 HB2 ARG 23 - HD3 ARG 71 far 0 99 0 - 6.8-14.5 HB2 ARG 17 - HD3 ARG 26 far 0 61 0 - 6.9-19.0 HB3 ARG 23 - HD3 ARG 71 far 0 99 0 - 7.0-12.9 HB3 ARG 27 - HD3 ARG 26 far 0 71 0 - 7.6-9.8 HB2 ARG 17 - HD2 ARG 26 far 0 59 0 - 8.4-18.6 HB2 LYS 75 - HD3 ARG 70 far 0 54 0 - 9.0-13.3 HB2 LYS 75 - HD2 ARG 70 far 0 53 0 - 9.1-14.3 HB2 ARG 26 - HD3 ARG 71 far 0 68 0 - 9.3-16.2 HB2 ARG 66 - HD3 ARG 71 far 0 78 0 - 9.3-12.4 HB2 ARG 71 - HD2 ARG 66 far 0 56 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (1.62, 3.20, 43.10 ppm; 2.94 A): 5 out of 33 assignments used, quality = 1.00: * HG2 ARG 71 + HD3 ARG 71 OK 97 100 100 97 2.3-3.0 3.0=95, 2920/5.8=12...(15) HG2 ARG 26 + HD3 ARG 26 OK 70 71 100 99 2.3-3.0 3.0=99, 529/6.1=11...(22) HG2 ARG 26 + HD2 ARG 26 OK 68 68 100 99 2.2-3.0 3.0=99, 529/6.1=11...(21) HG3 ARG 70 + HD3 ARG 70 OK 56 57 100 99 2.4-3.0 3.0=99, 2873/5.3=15...(4) HG3 ARG 70 + HD2 ARG 70 OK 55 56 100 99 2.3-3.0 3.0=99, 2873/5.3=15...(4) HG3 ARG 70 - HD3 ARG 71 far 0 99 0 - 4.3-9.9 HG2 ARG 71 - HD3 ARG 70 far 0 59 0 - 4.8-8.7 HG3 ARG 27 - HD3 ARG 71 far 0 95 0 - 4.9-12.5 HG2 ARG 27 - HD2 ARG 26 far 0 61 0 - 5.0-9.4 HG2 ARG 71 - HD2 ARG 70 far 0 58 0 - 5.1-8.5 HG2 ARG 27 - HD3 ARG 26 far 0 63 0 - 5.3-10.2 HD2 LYS 73 - HD2 ARG 70 far 0 55 0 - 5.6-10.9 HG3 ARG 27 - HD2 ARG 26 far 0 60 0 - 5.7-8.9 HD2 LYS 73 - HD3 ARG 70 far 0 55 0 - 5.8-11.4 HD3 LYS 73 - HD2 ARG 70 far 0 55 0 - 5.8-11.7 HD3 LYS 73 - HD3 ARG 70 far 0 55 0 - 6.1-12.2 HG3 ARG 70 - HD2 ARG 66 far 0 54 0 - 6.1-11.5 HG2 ARG 27 - HD3 ARG 71 far 0 96 0 - 6.2-12.4 HG3 ARG 70 - HD3 ARG 66 far 0 52 0 - 6.4-11.4 HG3 ARG 17 - HD3 ARG 26 far 0 71 0 - 6.7-19.8 HG3 ARG 27 - HD3 ARG 26 far 0 62 0 - 6.8-10.1 HG2 ARG 17 - HD3 ARG 26 far 0 71 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 68 0 - 7.7-19.8 HB3 LEU 51 - HD2 ARG 66 far 0 40 0 - 7.8-11.1 HB3 LEU 51 - HD3 ARG 66 far 0 39 0 - 7.9-11.0 HG2 ARG 17 - HD2 ARG 26 far 0 68 0 - 8.6-19.6 HD3 LYS 73 - HD3 ARG 71 far 0 98 0 - 8.7-13.6 HD2 LYS 73 - HD2 ARG 66 far 0 53 0 - 9.0-16.1 HD3 LYS 73 - HD2 ARG 66 far 0 53 0 - 9.8-17.1 HG3 ARG 27 - HD3 ARG 70 far 0 52 0 - 9.8-15.9 HG2 ARG 27 - HD3 ARG 70 far 0 53 0 - 9.9-16.1 HG2 ARG 71 - HD3 ARG 66 far 0 54 0 - 10.0-13.5 HG2 ARG 71 - HD2 ARG 66 far 0 56 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2949 from cnoeabs.peaks (1.75, 3.20, 43.10 ppm; 3.18 A): 3 out of 17 assignments used, quality = 1.00: * HG3 ARG 71 + HD3 ARG 71 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 70 70 100 100 2.3-3.0 3.0=100 HG3 ARG 26 + HD2 ARG 26 OK 68 68 100 100 2.2-3.0 3.0=100 HG3 ARG 71 - HD3 ARG 70 far 0 59 0 - 3.8-9.2 HB3 LYS 73 - HD2 ARG 70 far 0 33 0 - 4.3-9.1 HB3 LYS 73 - HD3 ARG 70 far 0 33 0 - 4.4-9.6 HG3 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.4-8.5 HB2 LEU 62 - HD2 ARG 66 far 0 55 0 - 5.2-9.0 HB2 LEU 62 - HD3 ARG 66 far 0 53 0 - 5.4-8.1 HB3 ARG 17 - HD3 ARG 26 far 0 68 0 - 7.8-17.3 HB3 LYS 73 - HD3 ARG 71 far 0 68 0 - 7.8-10.6 HB2 LEU 57 - HD2 ARG 66 far 0 47 0 - 8.7-10.8 HB2 LEU 57 - HD3 ARG 66 far 0 45 0 - 8.9-10.5 HB3 ARG 17 - HD2 ARG 26 far 0 65 0 - 9.2-17.6 HG3 ARG 71 - HD2 ARG 66 far 0 56 0 - 9.4-14.3 HB2 LEU 43 - HD2 ARG 66 far 0 30 0 - 9.8-13.5 HG3 ARG 71 - HD3 ARG 66 far 0 54 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (3.14, 3.20, 43.10 ppm; 2.40 A): 1 out of 25 assignments used, quality = 1.00: * HD2 ARG 71 + HD3 ARG 71 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 23 - HD2 ARG 26 far 0 41 0 - 3.1-10.2 HD3 ARG 27 - HD2 ARG 26 far 0 34 0 - 3.4-10.5 HD2 ARG 27 - HD3 ARG 71 far 0 60 0 - 3.8-11.7 HD2 ARG 27 - HD2 ARG 26 far 0 34 0 - 3.8-9.8 HD3 ARG 27 - HD3 ARG 71 far 0 60 0 - 4.2-12.2 HD2 ARG 71 - HD3 ARG 70 far 0 59 0 - 4.6-9.5 HD3 ARG 23 - HD3 ARG 26 far 0 43 0 - 4.6-11.0 HD2 ARG 23 - HD2 ARG 26 far 0 41 0 - 4.7-10.1 HD2 ARG 17 - HD3 ARG 26 far 0 52 0 - 4.7-18.9 HD2 ARG 71 - HD2 ARG 70 far 0 58 0 - 4.7-10.3 HD3 ARG 27 - HD3 ARG 26 far 0 35 0 - 4.8-11.1 HD2 ARG 27 - HD3 ARG 26 far 0 35 0 - 5.4-10.6 HD3 ARG 17 - HD3 ARG 26 far 0 52 0 - 5.8-19.5 HD2 ARG 17 - HD2 ARG 26 far 0 50 0 - 5.9-19.5 HD2 ARG 23 - HD3 ARG 26 far 0 43 0 - 6.1-10.8 HB2 PHE 48 - HD2 ARG 66 far 0 46 0 - 6.6-10.5 HD3 ARG 17 - HD2 ARG 26 far 0 50 0 - 7.1-20.5 HB2 PHE 48 - HD3 ARG 66 far 0 44 0 - 7.3-10.5 HD3 ARG 23 - HD3 ARG 71 far 0 71 0 - 7.8-15.0 HD2 ARG 23 - HD3 ARG 71 far 0 71 0 - 8.0-14.8 HB2 PHE 48 - HD2 ARG 70 far 0 47 0 - 9.0-13.5 HB2 PHE 48 - HD3 ARG 70 far 0 48 0 - 9.2-13.1 HD3 ARG 27 - HD3 ARG 70 far 0 29 0 - 9.3-16.4 HD2 ARG 27 - HD3 ARG 70 far 0 29 0 - 9.5-16.5 Violated in 0 structures by 0.00 A. Peak 2951 from cnoeabs.peaks (3.20, 3.20, 43.10 ppm; diagonal): 7 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; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * H GLY 72 + HA2 GLY 72 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 73 + HA2 GLY 72 OK 99 99 100 99 2.7-3.6 3.6=97, 2955/1.8=36...(5) H ARG 69 - HA2 GLY 72 far 0 99 0 - 5.2-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (7.99, 3.74, 46.02 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * H GLY 72 + HA3 GLY 72 OK 100 100 100 100 2.3-2.9 3.0=100 H LYS 73 + HA3 GLY 72 OK 98 99 100 99 2.7-3.6 3.6=96, 2952/1.8=36...(5) H ARG 69 - HA3 GLY 72 far 0 99 0 - 5.3-8.0 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (3.96, 3.74, 46.02 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 72 + HA3 GLY 72 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 76 - HA3 GLY 72 far 0 100 0 - 6.8-8.8 HA THR 37 - HA3 GLY 72 far 0 65 0 - 7.7-9.9 HA ARG 66 - HA3 GLY 72 far 0 93 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. 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; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 99 99 100 100 2.8-2.9 3.0=100 H ALA 30 + HA LEU 29 OK 60 61 100 100 3.5-3.5 3.6=95, 908/3.0=62...(12) H GLY 72 - HA LYS 73 far 0 98 0 - 4.9-5.5 H ARG 69 - HA LYS 73 far 0 91 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (4.18, 4.18, 56.67 ppm; diagonal): 4 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 8 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 99 99 100 100 2.6-2.9 3.0=99, 787/3.0=45...(13) HB3 ARG 84 + HA ARG 84 OK 77 77 100 100 2.4-3.0 3.0=100 HB2 ARG 17 - HA LEU 29 far 3 56 5 - 3.1-18.7 HB2 LYS 85 - HA ARG 84 far 0 77 0 - 4.3-5.7 HB2 LYS 75 - HA LYS 73 far 0 80 0 - 4.6-6.7 HB3 ARG 84 - HA ARG 82 far 0 38 0 - 6.2-9.6 HB2 LYS 85 - HA ARG 82 far 0 38 0 - 7.1-12.5 HB2 ARG 69 - HA LYS 73 far 0 80 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 2961 from cnoeabs.peaks (1.78, 4.18, 56.67 ppm; 2.97 A): 3 out of 19 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 99 99 100 100 2.8-3.0 3.0=96, 2.9/2963=40...(15) HB3 ARG 84 + HA ARG 84 OK 65 65 100 100 2.4-3.0 3.0=97, 4.6/377=22...(22) HB3 ARG 82 + HA ARG 82 OK 47 48 100 99 2.4-3.0 3.0=98, 5479/3.8=33...(7) HB2 LYS 83 - HA ARG 82 far 0 53 0 - 4.2-5.8 HB2 LYS 85 - HA ARG 84 far 0 65 0 - 4.3-5.7 HB3 LYS 75 - HA LYS 73 far 0 95 0 - 4.5-6.5 HB2 LYS 83 - HA ARG 84 far 0 97 0 - 4.5-6.0 HB ILE 33 - HA LEU 29 far 0 66 0 - 5.0-5.3 HB3 LYS 32 - HA LEU 29 far 0 70 0 - 5.4-5.9 HB3 ARG 82 - HA ARG 84 far 0 91 0 - 5.9-8.7 HB2 LYS 32 - HA LEU 29 far 0 70 0 - 6.0-6.5 HB3 ARG 84 - HA ARG 82 far 0 31 0 - 6.2-9.6 HB2 LYS 85 - HA ARG 82 far 0 31 0 - 7.1-12.5 HG3 ARG 71 - HA LYS 73 far 0 66 0 - 7.2-9.8 HB2 ARG 69 - HA LYS 73 far 0 68 0 - 7.5-8.9 HB2 LYS 13 - HA LEU 29 far 0 63 0 - 7.9-22.7 HG3 ARG 26 - HA LEU 29 far 0 35 0 - 8.1-9.5 HB2 PRO 34 - HA LEU 29 far 0 70 0 - 9.3-10.2 HG2 PRO 34 - HA LEU 29 far 0 55 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (1.48, 4.18, 56.67 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.99: * HG2 LYS 73 + HA LYS 73 OK 99 99 100 100 2.1-3.6 3.8=100 HG3 LYS 85 - HA ARG 84 far 3 65 5 - 3.8-7.0 HG3 LYS 13 - HA LEU 29 far 0 48 0 - 6.9-23.7 HG3 LYS 85 - HA ARG 82 far 0 31 0 - 7.5-13.4 Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (1.39, 4.18, 56.67 ppm; 3.48 A): 1 out of 18 assignments used, quality = 0.99: * HG3 LYS 73 + HA LYS 73 OK 99 99 100 100 2.1-3.5 2999=85, 2998/3.0=36...(34) HG2 LYS 85 - HA ARG 84 far 5 93 5 - 3.6-7.8 HG2 LYS 83 - HA ARG 82 far 4 40 10 - 3.6-7.4 QB ALA 16 - HA LEU 29 far 2 37 5 - 3.8-17.3 HG2 LYS 83 - HA ARG 84 far 0 79 0 - 4.0-6.9 QB ALA 77 - HA LYS 73 far 0 93 0 - 4.2-5.9 HG3 LYS 75 - HA LYS 73 far 0 99 0 - 4.2-7.9 HG2 LYS 75 - HA LYS 73 far 0 99 0 - 4.5-7.8 QB ALA 78 - HA ARG 84 far 0 97 0 - 5.2-14.1 HG3 ARG 69 - HA LYS 73 far 0 94 0 - 5.4-8.1 QB ALA 20 - HA LEU 29 far 0 65 0 - 6.6-13.0 HG2 LYS 85 - HA ARG 82 far 0 50 0 - 6.9-13.7 QB ALA 78 - HA LYS 73 far 0 99 0 - 7.1-8.8 QB ALA 77 - HA ARG 82 far 0 48 0 - 7.2-9.4 QB ALA 78 - HA ARG 82 far 0 54 0 - 7.3-9.2 HB3 ARG 69 - HA LYS 73 far 0 97 0 - 7.3-9.1 QB ALA 77 - HA ARG 84 far 0 91 0 - 7.6-14.0 QB ALA 16 - HA LYS 73 far 0 60 0 - 9.8-28.5 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.86 A increased from 3.43 A): 4 out of 19 assignments used, quality = 0.99: HG3 ARG 84 + HA ARG 84 OK 83 83 100 100 2.2-3.8 3.9=97, 3402/3.0=34...(38) HG2 ARG 84 + HA ARG 84 OK 79 83 95 100 2.2-4.2 3.9=97, 3394/3.0=34...(43) HD3 LYS 73 + HA LYS 73 OK 54 99 55 100 2.4-4.7 2.9/2963=66, 5.2=41...(51) * HD2 LYS 73 + HA LYS 73 OK 54 99 55 100 2.5-4.6 2.9/2963=66, 3020/3.0=42...(50) HB2 LEU 86 - HA ARG 84 far 5 97 5 - 3.9-9.3 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 4.2-18.6 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 4.3-16.2 HG LEU 86 - HA ARG 82 far 0 48 0 - 4.6-16.0 HG3 ARG 84 - HA ARG 82 far 0 42 0 - 5.4-9.5 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 5.6-16.9 HG2 ARG 84 - HA ARG 82 far 0 42 0 - 5.6-8.9 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 6.0-7.8 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 6.2-8.0 HG LEU 86 - HA ARG 84 far 0 91 0 - 6.3-10.0 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.2-10.0 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.2-10.0 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 7.7-9.5 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 8.8-10.2 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (1.61, 4.18, 56.67 ppm; 3.86 A increased from 3.43 A): 4 out of 19 assignments used, quality = 0.99: HG3 ARG 84 + HA ARG 84 OK 83 83 100 100 2.2-3.8 3.9=97, 3402/3.0=34...(38) HG2 ARG 84 + HA ARG 84 OK 79 83 95 100 2.2-4.2 3.9=97, 3394/3.0=34...(43) * HD3 LYS 73 + HA LYS 73 OK 54 99 55 100 2.4-4.7 2.9/2963=66, 5.2=41...(51) HD2 LYS 73 + HA LYS 73 OK 54 99 55 100 2.5-4.6 2.9/2963=66, 3020/3.0=42...(50) HB2 LEU 86 - HA ARG 84 far 5 97 5 - 3.9-9.3 HG3 ARG 17 - HA LEU 29 far 0 66 0 - 4.2-18.6 HB2 LEU 86 - HA ARG 82 far 0 53 0 - 4.3-16.2 HG LEU 86 - HA ARG 82 far 0 48 0 - 4.6-16.0 HG3 ARG 84 - HA ARG 82 far 0 42 0 - 5.4-9.5 HG2 ARG 17 - HA LEU 29 far 0 67 0 - 5.6-16.9 HG2 ARG 84 - HA ARG 82 far 0 42 0 - 5.6-8.9 HD3 LYS 32 - HA LEU 29 far 0 70 0 - 6.0-7.8 HD2 LYS 32 - HA LEU 29 far 0 70 0 - 6.2-8.0 HG LEU 86 - HA ARG 84 far 0 91 0 - 6.3-10.0 HG2 ARG 71 - HA LYS 73 far 0 96 0 - 7.2-10.0 HG3 ARG 70 - HA LYS 73 far 0 99 0 - 7.2-10.0 HG2 ARG 26 - HA LEU 29 far 0 64 0 - 7.7-9.5 HG3 ARG 27 - HA LEU 29 far 0 48 0 - 8.8-10.2 HG2 ARG 27 - HA LEU 29 far 0 50 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (8.00, 1.82, 32.45 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.1-2.2 787=100, 788/1.8=82...(17) H GLY 72 - HB2 LYS 73 far 5 99 5 - 4.1-4.8 H LYS 73 - HB2 LYS 75 far 0 77 0 - 4.9-6.9 H GLY 72 - HB2 LYS 75 far 0 75 0 - 5.0-7.3 H ARG 69 - HB2 LYS 73 far 0 93 0 - 6.3-7.2 H ARG 69 - HB2 LYS 75 far 0 67 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2969 from cnoeabs.peaks (4.18, 1.82, 32.45 ppm; 3.41 A): 1 out of 9 assignments used, quality = 0.99: * HA LYS 73 + HB2 LYS 73 OK 99 99 100 100 2.6-2.9 3.0=100 HA ARG 84 - HB2 LYS 85 far 0 78 0 - 4.3-5.7 HA LYS 73 - HB2 LYS 75 far 0 74 0 - 4.6-6.7 HA GLN 79 - HB2 LYS 85 far 0 70 0 - 5.2-19.0 HA ARG 82 - HB2 LYS 85 far 0 74 0 - 7.1-12.5 HA ALA 78 - HB2 LYS 75 far 0 55 0 - 7.8-10.8 HA ILE 89 - HB2 LYS 85 far 0 65 0 - 8.9-15.8 HA ALA 78 - HB2 LYS 85 far 0 56 0 - 9.2-19.0 HA GLN 79 - HB2 LYS 75 far 0 69 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HB3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 75 + HB2 LYS 75 OK 72 72 100 100 1.8-1.8 1.8=100 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 3.6-7.3 HB2 LYS 83 - HB2 LYS 85 far 0 77 0 - 4.7-10.0 HB2 ARG 69 - HB2 LYS 73 far 0 71 0 - 5.2-6.7 HB3 LYS 75 - HB2 LYS 73 far 0 97 0 - 6.6-7.7 HB3 ARG 82 - HB2 LYS 85 far 0 70 0 - 6.6-12.9 HG3 ARG 71 - HB2 LYS 75 far 0 45 0 - 6.6-10.3 HB3 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.7-8.5 HG3 ARG 71 - HB2 LYS 73 far 0 68 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.48, 1.82, 32.45 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 85 + HB2 LYS 85 OK 48 48 100 100 2.3-3.0 2.9=100 HG2 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.8-10.1 Violated in 0 structures by 0.00 A. Peak 2973 from cnoeabs.peaks (1.39, 1.82, 32.45 ppm; 3.42 A): 4 out of 18 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 75 + HB2 LYS 75 OK 77 77 100 100 2.3-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 77 77 100 100 2.3-3.0 2.7=100 HG2 LYS 85 + HB2 LYS 85 OK 73 73 100 100 2.3-3.0 2.9=100 HG3 ARG 69 - HB2 LYS 73 far 10 97 10 - 3.3-6.3 HG2 LYS 83 - HB2 LYS 85 far 0 60 0 - 4.5-10.8 QB ALA 77 - HB2 LYS 73 far 0 96 0 - 4.7-6.7 QB ALA 78 - HB2 LYS 75 far 0 77 0 - 4.8-8.6 HB3 ARG 69 - HB2 LYS 73 far 0 99 0 - 5.2-6.9 HG3 LYS 75 - HB2 LYS 73 far 0 100 0 - 5.7-9.5 QB ALA 77 - HB2 LYS 75 far 0 69 0 - 5.8-6.7 QB ALA 78 - HB2 LYS 85 far 0 78 0 - 6.7-17.3 HG2 LYS 75 - HB2 LYS 73 far 0 100 0 - 6.7-9.6 HG3 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.7-8.9 QB ALA 78 - HB2 LYS 73 far 0 100 0 - 8.4-10.5 HG3 ARG 69 - HB2 LYS 75 far 0 70 0 - 9.5-13.8 QB ALA 77 - HB2 LYS 85 far 0 70 0 - 9.6-17.8 HB3 ARG 69 - HB2 LYS 75 far 0 74 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 2974 from cnoeabs.peaks (1.61, 1.82, 32.45 ppm; 3.88 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-4.1 3.5=100 HD3 LYS 73 + HB2 LYS 73 OK 85 100 85 100 2.3-4.2 3.5=100 HG3 ARG 70 - HB2 LYS 73 far 0 100 0 - 4.5-7.7 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 4.7-8.2 HB2 LEU 86 - HB2 LYS 85 far 0 77 0 - 5.1-7.5 HG LEU 86 - HB2 LYS 85 far 0 70 0 - 5.3-8.7 HG3 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.3-9.1 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 6.6-10.8 HD3 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.7-10.6 HD2 LYS 73 - HB2 LYS 75 far 0 77 0 - 7.2-9.9 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (1.61, 1.82, 32.45 ppm; 3.88 A): 2 out of 12 assignments used, quality = 1.00: HD2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-4.1 3.5=100 * HD3 LYS 73 + HB2 LYS 73 OK 85 100 85 100 2.3-4.2 3.5=100 HG3 ARG 70 - HB2 LYS 73 far 0 100 0 - 4.5-7.7 HG2 ARG 84 - HB2 LYS 85 far 0 63 0 - 4.7-8.2 HB2 LEU 86 - HB2 LYS 85 far 0 77 0 - 5.1-7.5 HG LEU 86 - HB2 LYS 85 far 0 70 0 - 5.3-8.7 HG3 ARG 84 - HB2 LYS 85 far 0 63 0 - 5.7-8.6 HG2 ARG 71 - HB2 LYS 73 far 0 98 0 - 6.3-9.1 HG2 ARG 71 - HB2 LYS 75 far 0 73 0 - 6.6-10.8 HD3 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.7-10.6 HD2 LYS 73 - HB2 LYS 75 far 0 77 0 - 7.2-9.9 HG3 ARG 70 - HB2 LYS 75 far 0 77 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 95 100 95 100 2.2-5.4 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 90 100 90 100 2.1-5.5 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 73 73 100 100 2.0-4.8 5.0=94, 6.7/803=29...(28) HE3 LYS 75 + HB2 LYS 75 OK 70 74 95 100 2.3-5.4 5.0=94, 6.7/803=29...(33) HE2 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 77 0 - 7.0-11.4 HE2 LYS 75 - HB2 LYS 73 far 0 99 0 - 8.1-11.6 HE3 LYS 75 - HB2 LYS 73 far 0 99 0 - 8.5-12.1 HE3 LYS 73 - HB2 LYS 85 far 0 78 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 46 0 - 9.6-16.5 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (2.95, 1.82, 32.45 ppm; 4.85 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 73 + HB2 LYS 73 OK 95 100 95 100 2.2-5.4 4.7=100 * HE3 LYS 73 + HB2 LYS 73 OK 90 100 90 100 2.1-5.5 4.7=100 HE2 LYS 75 + HB2 LYS 75 OK 72 73 100 100 2.0-4.8 5.0=94, 6.7/803=29...(27) HE3 LYS 75 + HB2 LYS 75 OK 70 73 95 100 2.3-5.4 5.0=94, 6.7/803=29...(33) HE2 LYS 73 - HB2 LYS 75 far 0 77 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 77 0 - 7.0-11.4 HE2 LYS 75 - HB2 LYS 73 far 0 98 0 - 8.1-11.6 HE3 LYS 75 - HB2 LYS 73 far 0 99 0 - 8.5-12.1 HE3 LYS 73 - HB2 LYS 85 far 0 78 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 44 0 - 9.6-16.5 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (8.00, 1.78, 32.45 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.9-3.4 4.0=100 H GLY 72 - HB3 LYS 75 far 0 91 0 - 4.8-6.6 H GLY 72 - HB3 LYS 73 far 0 99 0 - 4.8-6.1 H LYS 73 - HB3 LYS 75 far 0 93 0 - 4.8-6.1 H ARG 69 - HB3 LYS 73 far 0 93 0 - 7.3-8.8 H ARG 69 - HB3 LYS 75 far 0 82 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (4.18, 1.78, 32.45 ppm; 3.35 A): 1 out of 17 assignments used, quality = 0.99: * HA LYS 73 + HB3 LYS 73 OK 99 99 100 100 2.8-3.0 3.0=100 HA GLN 79 - HB2 LYS 83 far 4 90 5 - 3.3-13.5 HA ARG 82 - HB2 LYS 83 far 0 93 0 - 4.2-5.8 HA ARG 84 - HB2 LYS 85 far 0 66 0 - 4.3-5.7 HB THR 15 - HB2 LYS 13 far 0 78 0 - 4.3-8.8 HA LYS 73 - HB3 LYS 75 far 0 90 0 - 4.5-6.5 HA ARG 84 - HB2 LYS 83 far 0 96 0 - 4.5-6.0 HA ALA 78 - HB2 LYS 83 far 0 74 0 - 5.2-12.4 HA GLN 79 - HB2 LYS 85 far 0 59 0 - 5.2-19.0 HA ARG 82 - HB2 LYS 85 far 0 62 0 - 7.1-12.5 HA LEU 29 - HB2 LYS 13 far 0 62 0 - 7.9-22.7 HA ALA 78 - HB3 LYS 75 far 0 69 0 - 7.9-11.8 HA ALA 78 - HB3 LYS 73 far 0 81 0 - 8.6-10.8 HA ILE 89 - HB2 LYS 85 far 0 54 0 - 8.9-15.8 HB THR 15 - HB3 LYS 39 far 0 85 0 - 9.0-27.7 HA ALA 78 - HB2 LYS 85 far 0 46 0 - 9.2-19.0 HA GLN 79 - HB3 LYS 75 far 0 85 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (1.82, 1.78, 32.45 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 75 + HB3 LYS 75 OK 72 72 100 100 1.8-1.8 1.8=100 HB3 ARG 84 - HB2 LYS 85 far 0 48 0 - 3.6-7.3 HB2 LYS 85 - HB2 LYS 83 far 0 76 0 - 4.7-10.0 HB3 ARG 84 - HB2 LYS 83 far 0 76 0 - 5.5-7.7 HB2 ARG 69 - HB3 LYS 73 far 0 83 0 - 6.2-8.4 HB2 LYS 73 - HB3 LYS 75 far 0 93 0 - 6.6-7.7 HB2 LYS 75 - HB3 LYS 73 far 0 83 0 - 6.7-8.5 HB2 ARG 23 - HB3 LYS 75 far 0 63 0 - 8.1-14.8 HB3 ARG 23 - HB3 LYS 75 far 0 60 0 - 9.1-13.8 HB2 ARG 17 - HB2 LYS 13 far 0 80 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 2981 from cnoeabs.peaks (1.78, 1.78, 32.45 ppm; diagonal): 6 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; 3.69 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 69 69 100 100 2.3-3.0 3.0=100 HG3 LYS 85 + HB2 LYS 85 OK 40 40 100 100 2.3-3.0 2.9=100 HG3 LYS 85 - HB2 LYS 83 far 0 64 0 - 5.0-10.8 HG2 LYS 73 - HB3 LYS 75 far 0 93 0 - 6.8-9.6 HG3 LYS 13 - HB3 LYS 39 far 0 77 0 - 7.6-33.9 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (1.39, 1.78, 32.45 ppm; 3.14 A): 6 out of 31 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 75 + HB3 LYS 75 OK 92 92 100 100 2.3-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 92 92 100 100 2.3-3.0 2.7=100 HG3 LYS 39 + HB3 LYS 39 OK 87 87 100 100 2.4-3.0 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 78 78 100 100 2.3-3.0 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 61 61 100 100 2.3-3.0 2.9=100 QB ALA 77 - HB3 LYS 73 far 10 96 10 - 3.3-5.4 HG2 LYS 83 - HB2 LYS 85 far 0 50 0 - 4.5-10.8 HG2 LYS 85 - HB2 LYS 83 far 0 92 0 - 4.5-11.5 QB ALA 78 - HB2 LYS 83 far 0 96 0 - 4.7-12.2 HG3 ARG 69 - HB3 LYS 73 far 0 97 0 - 4.9-7.7 QB ALA 78 - HB3 LYS 75 far 0 93 0 - 5.2-9.4 QB ALA 77 - HB3 LYS 75 far 0 85 0 - 5.4-7.1 QB ALA 16 - HB2 LYS 13 far 0 55 0 - 6.0-9.4 HG3 LYS 75 - HB3 LYS 73 far 0 100 0 - 6.0-9.3 HG3 LYS 73 - HB3 LYS 75 far 0 93 0 - 6.6-8.7 HB3 ARG 69 - HB3 LYS 73 far 0 99 0 - 6.6-8.6 QB ALA 20 - HB3 LYS 39 far 0 96 0 - 6.6-17.4 QB ALA 78 - HB2 LYS 85 far 0 66 0 - 6.7-17.3 HG2 LYS 75 - HB3 LYS 73 far 0 100 0 - 6.8-9.3 QB ALA 78 - HB3 LYS 73 far 0 100 0 - 7.4-9.4 QB ALA 16 - HB3 LYS 39 far 0 61 0 - 7.7-21.7 QB ALA 77 - HB2 LYS 83 far 0 90 0 - 7.8-12.3 HG3 LYS 39 - HB2 LYS 13 far 0 80 0 - 8.5-33.2 QB ALA 16 - HB2 LYS 83 far 0 57 0 - 9.3-44.6 HG3 ARG 69 - HB3 LYS 39 far 0 95 0 - 9.3-10.9 HG3 ARG 69 - HB3 LYS 75 far 0 86 0 - 9.5-12.9 QB ALA 77 - HB2 LYS 85 far 0 59 0 - 9.6-17.8 HB3 ARG 69 - HB3 LYS 39 far 0 98 0 - 9.8-12.1 HG2 LYS 83 - HB3 LYS 73 far 0 85 0 - 9.8-20.6 HB3 ARG 69 - HB3 LYS 75 far 0 90 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (1.61, 1.78, 32.45 ppm; 3.68 A): 4 out of 28 assignments used, quality = 1.00: HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-3.6 3.5=100 * HD2 LYS 73 + HB3 LYS 73 OK 95 100 95 100 2.2-4.2 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.8-3.7 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.1-2.6 3.5=100 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 4.3-12.9 HG2 ARG 84 - HB2 LYS 83 far 0 82 0 - 4.6-8.1 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 4.7-8.2 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 4.9-13.4 HG3 ARG 70 - HB3 LYS 73 far 0 100 0 - 5.1-8.7 HB2 LEU 86 - HB2 LYS 85 far 0 65 0 - 5.1-7.5 HG3 ARG 84 - HB2 LYS 83 far 0 82 0 - 5.2-7.9 HG LEU 86 - HB2 LYS 85 far 0 59 0 - 5.3-8.7 HG2 ARG 71 - HB3 LYS 75 far 0 88 0 - 5.5-9.8 HG3 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.6 HD2 LYS 73 - HB3 LYS 75 far 0 93 0 - 6.7-9.8 HD3 LYS 73 - HB3 LYS 75 far 0 93 0 - 7.2-10.0 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 7.3-10.1 HD3 LYS 32 - HB2 LYS 13 far 0 94 0 - 7.3-26.8 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 7.4-14.9 HB3 LEU 51 - HB3 LYS 39 far 0 95 0 - 7.4-8.9 HD2 LYS 32 - HB2 LYS 13 far 0 95 0 - 7.6-27.9 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 8.1-11.9 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 8.4-30.7 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.8-15.1 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.4-23.2 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.4-22.6 HD3 LYS 73 - HB2 LYS 83 far 0 96 0 - 9.5-20.5 HD2 LYS 39 - HB2 LYS 13 far 0 57 0 - 9.5-31.9 Violated in 0 structures by 0.00 A. Peak 2985 from cnoeabs.peaks (1.61, 1.78, 32.45 ppm; 3.68 A): 4 out of 28 assignments used, quality = 1.00: * HD3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-3.6 3.5=100 HD2 LYS 73 + HB3 LYS 73 OK 95 100 95 100 2.2-4.2 3.5=100 HD2 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.8-3.7 3.5=100 HD3 LYS 39 + HB3 LYS 39 OK 61 61 100 100 2.1-2.6 3.5=100 HB2 LEU 86 - HB2 LYS 83 far 0 96 0 - 4.3-12.9 HG2 ARG 84 - HB2 LYS 83 far 0 82 0 - 4.6-8.1 HG2 ARG 84 - HB2 LYS 85 far 0 53 0 - 4.7-8.2 HG LEU 86 - HB2 LYS 83 far 0 90 0 - 4.9-13.4 HG3 ARG 70 - HB3 LYS 73 far 0 100 0 - 5.1-8.7 HB2 LEU 86 - HB2 LYS 85 far 0 65 0 - 5.1-7.5 HG3 ARG 84 - HB2 LYS 83 far 0 82 0 - 5.2-7.9 HG LEU 86 - HB2 LYS 85 far 0 59 0 - 5.3-8.7 HG2 ARG 71 - HB3 LYS 75 far 0 88 0 - 5.5-9.8 HG3 ARG 84 - HB2 LYS 85 far 0 53 0 - 5.7-8.6 HD2 LYS 73 - HB3 LYS 75 far 0 93 0 - 6.7-9.8 HD3 LYS 73 - HB3 LYS 75 far 0 93 0 - 7.2-10.0 HG2 ARG 71 - HB3 LYS 73 far 0 98 0 - 7.3-10.1 HD3 LYS 32 - HB2 LYS 13 far 0 94 0 - 7.3-26.8 HG2 ARG 17 - HB2 LYS 13 far 0 92 0 - 7.4-14.9 HB3 LEU 51 - HB3 LYS 39 far 0 95 0 - 7.4-8.9 HD2 LYS 32 - HB2 LYS 13 far 0 95 0 - 7.6-27.9 HG3 ARG 70 - HB3 LYS 75 far 0 92 0 - 8.1-11.9 HD3 LYS 39 - HB2 LYS 13 far 0 55 0 - 8.4-30.7 HG3 ARG 17 - HB2 LYS 13 far 0 91 0 - 8.8-15.1 HG2 ARG 17 - HB3 LYS 39 far 0 98 0 - 9.4-23.2 HG3 ARG 17 - HB3 LYS 39 far 0 97 0 - 9.4-22.6 HD3 LYS 73 - HB2 LYS 83 far 0 96 0 - 9.5-20.5 HD2 LYS 39 - HB2 LYS 13 far 0 57 0 - 9.5-31.9 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (2.95, 1.78, 32.45 ppm; 4.62 A): 8 out of 24 assignments used, quality = 1.00: HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.9 4.7=96, ~3020=35...(27) * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-4.9 4.7=96, ~3020=35...(27) HE2 LYS 75 + HB3 LYS 75 OK 84 89 95 99 2.2-5.4 5.0=81, 3030/1.8=27...(23) HE3 LYS 75 + HB3 LYS 75 OK 81 90 90 100 2.1-5.5 5.0=81, 3030/1.8=27...(23) HE3 LYS 13 + HB2 LYS 13 OK 76 86 90 98 2.2-5.5 5.2=69, 1074/3.0=23...(21) HE2 LYS 13 + HB2 LYS 13 OK 75 85 90 98 2.7-5.4 5.2=69, 1073/3.0=23...(21) HE2 LYS 39 + HB3 LYS 39 OK 72 72 100 100 2.3-4.5 4.7=96, ~1884=33...(22) HE3 LYS 39 + HB3 LYS 39 OK 66 67 100 100 2.5-4.5 4.7=96, ~1884=33...(22) HB3 TYR 81 - HB2 LYS 83 far 3 62 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 95 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 95 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 93 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 92 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 65 0 - 8.2-32.6 HB3 TYR 55 - HB2 LYS 13 far 0 85 0 - 8.3-27.7 HE2 LYS 75 - HB3 LYS 73 far 0 99 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 99 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 60 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 92 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 96 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 66 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 38 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 68 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 93 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (2.95, 1.78, 32.45 ppm; 4.62 A): 8 out of 24 assignments used, quality = 1.00: * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.1-4.9 4.7=96, ~3020=35...(27) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.2-4.9 4.7=96, ~3020=35...(27) HE2 LYS 75 + HB3 LYS 75 OK 84 88 95 99 2.2-5.4 5.0=81, 3030/1.8=27...(23) HE3 LYS 75 + HB3 LYS 75 OK 80 89 90 99 2.1-5.5 5.0=81, 3030/1.8=27...(22) HE3 LYS 13 + HB2 LYS 13 OK 75 85 90 98 2.2-5.5 5.2=69, 1074/3.0=23...(21) HE2 LYS 13 + HB2 LYS 13 OK 74 83 90 98 2.7-5.4 5.2=69, 1073/3.0=23...(21) HE2 LYS 39 + HB3 LYS 39 OK 69 69 100 100 2.3-4.5 4.7=96, ~1884=33...(22) HE3 LYS 39 + HB3 LYS 39 OK 64 64 100 100 2.5-4.5 4.7=96, ~1884=33...(22) HB3 TYR 81 - HB2 LYS 83 far 3 59 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 94 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 95 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 92 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 93 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 62 0 - 8.2-32.6 HB3 TYR 55 - HB2 LYS 13 far 0 86 0 - 8.3-27.7 HE2 LYS 75 - HB3 LYS 73 far 0 98 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 99 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 57 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 90 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 96 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 66 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 36 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 65 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 92 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 2988 from cnoeabs.peaks (8.00, 1.48, 24.53 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 3.4-4.1 789=100, 787/2.9=86...(19) H GLY 72 - HG2 LYS 73 far 0 99 0 - 5.5-6.8 H ARG 69 - HG2 LYS 73 far 0 93 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (4.18, 1.48, 24.53 ppm; 4.17 A): 1 out of 10 assignments used, quality = 0.99: * HA LYS 73 + HG2 LYS 73 OK 99 99 100 100 2.1-3.6 3.8=100 HA ARG 84 - HG3 LYS 85 far 4 71 5 - 3.8-7.0 HA GLN 79 - HG3 LYS 85 far 3 63 5 - 4.1-18.8 HB THR 15 - HG3 LYS 13 far 3 60 5 - 3.5-11.2 HA LEU 29 - HG3 LYS 13 far 0 47 0 - 6.9-23.7 HA ALA 78 - HG3 LYS 85 far 0 50 0 - 7.1-19.2 HA ARG 82 - HG3 LYS 85 far 0 66 0 - 7.5-13.4 HA ALA 78 - HG2 LYS 73 far 0 81 0 - 9.7-12.8 HA GLN 79 - HG2 LYS 73 far 0 96 0 - 9.7-15.1 HA ILE 89 - HG3 LYS 85 far 0 58 0 - 9.7-16.6 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.82, 1.48, 24.53 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 85 + HG3 LYS 85 OK 52 52 100 100 2.3-3.0 2.9=100 HB3 ARG 84 - HG3 LYS 85 far 0 52 0 - 4.0-8.3 HB2 ARG 69 - HG2 LYS 73 far 0 83 0 - 5.6-8.5 HB2 LYS 75 - HG2 LYS 73 far 0 83 0 - 6.8-10.1 Violated in 0 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.78, 1.48, 24.53 ppm; 3.34 A): 3 out of 15 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 69 69 100 100 2.3-3.0 3.0=100 HB2 LYS 85 + HG3 LYS 85 OK 43 43 100 100 2.3-3.0 2.9=100 HB3 ARG 84 - HG3 LYS 85 far 0 43 0 - 4.0-8.3 HB3 LYS 32 - HG3 LYS 13 far 0 76 0 - 4.8-24.7 HB2 LYS 83 - HG3 LYS 85 far 0 70 0 - 5.0-10.8 HB3 ARG 82 - HG3 LYS 85 far 0 63 0 - 5.5-13.7 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 5.6-8.5 HB2 LYS 32 - HG3 LYS 13 far 0 76 0 - 6.6-25.2 HB3 LYS 75 - HG2 LYS 73 far 0 97 0 - 6.8-9.6 HB3 LYS 39 - HG3 LYS 13 far 0 75 0 - 7.6-33.9 HB2 PRO 34 - HG3 LYS 13 far 0 77 0 - 7.9-26.8 HB ILE 33 - HG3 LYS 13 far 0 73 0 - 8.7-25.4 HG3 ARG 71 - HG2 LYS 73 far 0 68 0 - 8.7-11.3 HG2 PRO 34 - HG3 LYS 13 far 0 60 0 - 9.2-26.2 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (1.48, 1.48, 24.53 ppm; diagonal): 3 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 14 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 85 + HG3 LYS 85 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 ARG 69 - HG2 LYS 73 far 0 97 0 - 3.9-7.2 QB ALA 77 - HG2 LYS 73 far 0 96 0 - 4.7-7.5 QB ALA 78 - HG3 LYS 85 far 0 71 0 - 4.7-17.5 QB ALA 16 - HG3 LYS 13 far 0 41 0 - 4.7-11.3 HB3 ARG 69 - HG2 LYS 73 far 0 99 0 - 5.1-7.9 HG2 LYS 83 - HG3 LYS 85 far 0 53 0 - 5.3-11.3 HG3 LYS 75 - HG2 LYS 73 far 0 100 0 - 7.4-11.1 HG2 LYS 75 - HG2 LYS 73 far 0 100 0 - 8.0-11.1 QB ALA 78 - HG2 LYS 73 far 0 100 0 - 8.6-10.7 HG2 LYS 83 - HG2 LYS 73 far 0 85 0 - 8.7-22.6 HG3 LYS 39 - HG3 LYS 13 far 0 62 0 - 8.9-35.6 QB ALA 77 - HG3 LYS 85 far 0 63 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (1.61, 1.48, 24.53 ppm; 3.05 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 4.2-9.6 HB2 LEU 86 - HG3 LYS 85 far 0 70 0 - 4.5-8.8 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 4.7-9.1 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 5.2-9.9 HD3 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.8-27.2 HG3 ARG 84 - HG3 LYS 85 far 0 56 0 - 6.3-9.5 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.4-28.3 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 7.1-33.0 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 7.9-11.5 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 8.0-34.3 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 8.8-17.1 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (1.61, 1.48, 24.53 ppm; 3.05 A): 2 out of 14 assignments used, quality = 1.00: HD2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG LEU 86 - HG3 LYS 85 far 0 63 0 - 4.2-9.6 HB2 LEU 86 - HG3 LYS 85 far 0 70 0 - 4.5-8.8 HG2 ARG 84 - HG3 LYS 85 far 0 56 0 - 4.7-9.1 HG3 ARG 70 - HG2 LYS 73 far 0 100 0 - 5.2-9.9 HD3 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.8-27.2 HG3 ARG 84 - HG3 LYS 85 far 0 56 0 - 6.3-9.5 HD2 LYS 32 - HG3 LYS 13 far 0 77 0 - 6.4-28.3 HD3 LYS 39 - HG3 LYS 13 far 0 41 0 - 7.1-33.0 HG2 ARG 71 - HG2 LYS 73 far 0 98 0 - 7.9-11.5 HD2 LYS 39 - HG3 LYS 13 far 0 43 0 - 8.0-34.3 HG3 ARG 17 - HG3 LYS 13 far 0 73 0 - 8.8-17.1 HG2 ARG 17 - HG3 LYS 13 far 0 73 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 2996 from cnoeabs.peaks (2.95, 1.48, 24.53 ppm; 4.16 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-4.0 3.7=100 HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.5-4.2 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 68 68 100 100 2.2-3.9 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.3-4.2 3.8=100 HE2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.5-28.3 HE3 LYS 32 - HG3 LYS 13 far 0 77 0 - 7.3-29.1 HB3 TYR 81 - HG3 LYS 85 far 0 41 0 - 7.8-17.1 HE2 LYS 39 - HG3 LYS 13 far 0 49 0 - 8.1-35.0 HE2 LYS 75 - HG2 LYS 73 far 0 99 0 - 8.5-12.8 HE3 LYS 75 - HG2 LYS 73 far 0 99 0 - 8.8-13.1 HE3 LYS 39 - HG3 LYS 13 far 0 45 0 - 8.9-35.9 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (2.95, 1.48, 24.53 ppm; 4.16 A): 4 out of 11 assignments used, quality = 1.00: HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-4.0 3.7=100 * HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.5-4.2 3.7=100 HE3 LYS 13 + HG3 LYS 13 OK 67 67 100 100 2.2-3.9 3.8=100 HE2 LYS 13 + HG3 LYS 13 OK 65 65 100 100 2.3-4.2 3.8=100 HE2 LYS 32 - HG3 LYS 13 far 0 77 0 - 5.5-28.3 HE3 LYS 32 - HG3 LYS 13 far 0 77 0 - 7.3-29.1 HB3 TYR 81 - HG3 LYS 85 far 0 39 0 - 7.8-17.1 HE2 LYS 39 - HG3 LYS 13 far 0 47 0 - 8.1-35.0 HE2 LYS 75 - HG2 LYS 73 far 0 98 0 - 8.5-12.8 HE3 LYS 75 - HG2 LYS 73 far 0 99 0 - 8.8-13.1 HE3 LYS 39 - HG3 LYS 13 far 0 43 0 - 8.9-35.9 Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (8.00, 1.39, 24.53 ppm; 4.60 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 3.2-4.6 790=91, 787/2.9=89...(24) H LYS 73 - HG3 LYS 75 far 3 61 5 - 3.9-8.3 H GLY 72 - HG3 LYS 75 far 3 59 5 - 4.5-8.9 H LYS 73 - HG2 LYS 75 far 0 61 0 - 5.2-8.4 H GLY 72 - HG3 LYS 73 far 0 99 0 - 5.6-7.2 H GLY 72 - HG2 LYS 75 far 0 59 0 - 6.0-9.2 H ARG 69 - HG3 LYS 73 far 0 93 0 - 7.1-9.7 H ARG 69 - HG3 LYS 75 far 0 52 0 - 9.5-13.6 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (4.18, 1.39, 24.53 ppm; 3.68 A): 1 out of 18 assignments used, quality = 0.99: * HA LYS 73 + HG3 LYS 73 OK 99 99 100 100 2.1-3.5 2963=100, 3.0/2998=41...(34) HA ARG 84 - HG2 LYS 85 far 15 97 15 - 3.6-7.8 HA ARG 82 - HG2 LYS 83 far 11 75 15 - 3.6-7.4 HA ARG 84 - HG2 LYS 83 far 4 79 5 - 4.0-6.9 HA LYS 73 - HG3 LYS 75 far 0 59 0 - 4.2-7.9 HA LYS 73 - HG2 LYS 75 far 0 59 0 - 4.5-7.8 HA ALA 78 - HG2 LYS 83 far 0 57 0 - 5.3-12.1 HA GLN 79 - HG2 LYS 83 far 0 71 0 - 5.4-12.1 HA GLN 79 - HG2 LYS 85 far 0 91 0 - 5.8-19.5 HA ARG 82 - HG2 LYS 85 far 0 94 0 - 6.9-13.7 HA ALA 78 - HG3 LYS 75 far 0 42 0 - 7.1-12.8 HA ALA 78 - HG2 LYS 75 far 0 42 0 - 7.6-11.8 HA GLN 79 - HG2 LYS 75 far 0 55 0 - 7.6-12.1 HA ILE 89 - HG2 LYS 85 far 0 85 0 - 8.2-15.6 HA ALA 78 - HG2 LYS 85 far 0 75 0 - 8.4-19.3 HA GLN 79 - HG3 LYS 75 far 0 55 0 - 8.8-12.8 HA ALA 78 - HG3 LYS 73 far 0 81 0 - 9.4-12.7 HA GLN 79 - HG3 LYS 73 far 0 96 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.82, 1.39, 24.53 ppm; 3.15 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 75 + HG2 LYS 75 OK 44 44 100 100 2.3-3.0 2.7=100 HB2 LYS 75 + HG3 LYS 75 OK 44 44 100 100 2.3-3.0 2.7=100 HB3 ARG 84 - HG2 LYS 85 far 0 77 0 - 3.9-8.7 HB2 LYS 85 - HG2 LYS 83 far 0 59 0 - 4.5-10.8 HB3 ARG 84 - HG2 LYS 83 far 0 59 0 - 5.2-8.2 HB2 LYS 73 - HG3 LYS 75 far 0 61 0 - 5.7-9.5 HB2 ARG 69 - HG3 LYS 73 far 0 83 0 - 5.8-9.2 HB2 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.7-9.6 HB2 LYS 75 - HG3 LYS 73 far 0 83 0 - 6.7-8.9 HB2 ARG 23 - HG3 LYS 75 far 0 38 0 - 7.4-14.4 HB2 ARG 23 - HG2 LYS 75 far 0 38 0 - 8.3-16.1 HB3 ARG 23 - HG3 LYS 75 far 0 36 0 - 8.6-14.8 HB3 ARG 23 - HG2 LYS 75 far 0 36 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (1.78, 1.39, 24.53 ppm; 3.10 A): 5 out of 19 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 83 + HG2 LYS 83 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 66 66 100 100 2.3-3.0 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 56 56 100 100 2.3-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 56 56 100 100 2.3-3.0 2.7=100 HB3 ARG 84 - HG2 LYS 85 far 0 66 0 - 3.9-8.7 HB2 LYS 85 - HG2 LYS 83 far 0 49 0 - 4.5-10.8 HB2 LYS 83 - HG2 LYS 85 far 0 97 0 - 4.5-11.5 HB3 ARG 82 - HG2 LYS 83 far 0 71 0 - 4.5-8.1 HB3 ARG 84 - HG2 LYS 83 far 0 49 0 - 5.2-8.2 HB3 ARG 82 - HG2 LYS 85 far 0 91 0 - 5.4-13.6 HB2 ARG 69 - HG3 LYS 73 far 0 71 0 - 5.8-9.2 HB3 LYS 73 - HG3 LYS 75 far 0 61 0 - 6.0-9.3 HB3 LYS 75 - HG3 LYS 73 far 0 97 0 - 6.6-8.7 HB3 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.8-9.3 HG3 ARG 71 - HG3 LYS 75 far 0 35 0 - 7.0-11.6 HG3 ARG 71 - HG3 LYS 73 far 0 68 0 - 8.1-11.2 HG3 ARG 71 - HG2 LYS 75 far 0 35 0 - 8.2-12.3 HB3 LYS 73 - HG2 LYS 83 far 0 79 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (1.48, 1.39, 24.53 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 85 + HG2 LYS 85 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 85 - HG2 LYS 83 far 0 49 0 - 5.3-11.3 HG2 LYS 73 - HG3 LYS 75 far 0 61 0 - 7.4-11.1 HG2 LYS 73 - HG2 LYS 75 far 0 61 0 - 8.0-11.1 HG2 LYS 73 - HG2 LYS 83 far 0 79 0 - 8.7-22.6 Violated in 0 structures by 0.00 A. 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; 3.02 A): 2 out of 22 assignments used, quality = 1.00: HD3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.5-8.7 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.7-9.2 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.1-9.1 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.3-9.2 HB2 LEU 86 - HG2 LYS 85 far 0 97 0 - 5.4-8.2 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.5-9.7 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 6.0-13.9 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 6.6-14.1 HD2 LYS 73 - HG3 LYS 75 far 0 61 0 - 6.6-12.0 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 6.6-9.9 HD2 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.7-11.7 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 6.9-11.9 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 7.3-12.8 HD3 LYS 73 - HG3 LYS 75 far 0 61 0 - 7.8-12.1 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 7.8-11.5 HD3 LYS 73 - HG2 LYS 75 far 0 61 0 - 7.9-11.9 HD3 LYS 73 - HG2 LYS 83 far 0 79 0 - 8.0-21.2 HD2 LYS 73 - HG2 LYS 83 far 0 79 0 - 9.3-20.5 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 9.8-14.1 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.61, 1.39, 24.53 ppm; 3.02 A): 2 out of 22 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 84 - HG2 LYS 83 far 0 64 0 - 4.5-8.7 HG LEU 86 - HG2 LYS 85 far 0 91 0 - 4.7-9.2 HG3 ARG 84 - HG2 LYS 83 far 0 64 0 - 5.1-9.1 HG2 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.3-9.2 HB2 LEU 86 - HG2 LYS 85 far 0 97 0 - 5.4-8.2 HG3 ARG 84 - HG2 LYS 85 far 0 83 0 - 5.5-9.7 HB2 LEU 86 - HG2 LYS 83 far 0 78 0 - 6.0-13.9 HG LEU 86 - HG2 LYS 83 far 0 71 0 - 6.6-14.1 HD2 LYS 73 - HG3 LYS 75 far 0 61 0 - 6.6-12.0 HG3 ARG 70 - HG3 LYS 73 far 0 100 0 - 6.6-9.9 HD2 LYS 73 - HG2 LYS 75 far 0 61 0 - 6.7-11.7 HG2 ARG 71 - HG3 LYS 75 far 0 57 0 - 6.9-11.9 HG2 ARG 71 - HG2 LYS 75 far 0 57 0 - 7.3-12.8 HD3 LYS 73 - HG3 LYS 75 far 0 61 0 - 7.8-12.1 HG2 ARG 71 - HG3 LYS 73 far 0 98 0 - 7.8-11.5 HD3 LYS 73 - HG2 LYS 75 far 0 61 0 - 7.9-11.9 HD3 LYS 73 - HG2 LYS 83 far 0 79 0 - 8.0-21.2 HD2 LYS 73 - HG2 LYS 83 far 0 79 0 - 9.3-20.5 HG3 ARG 70 - HG3 LYS 75 far 0 61 0 - 9.8-14.1 HG3 ARG 70 - HG2 LYS 75 far 0 61 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 3006 from cnoeabs.peaks (2.95, 1.39, 24.53 ppm; 3.87 A): 6 out of 18 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 90 100 90 100 2.0-4.2 3.7=100 HE3 LYS 75 + HG3 LYS 75 OK 56 59 95 100 2.3-4.2 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 55 58 95 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 55 58 95 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 53 59 90 100 2.1-4.2 3.5=100 HB3 TYR 81 - HG2 LYS 83 far 0 47 0 - 5.0-10.5 HE3 LYS 73 - HG2 LYS 83 far 0 79 0 - 6.8-22.2 HE2 LYS 73 - HG2 LYS 83 far 0 79 0 - 7.8-23.0 HE3 LYS 73 - HG3 LYS 75 far 0 61 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 99 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 61 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 61 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 61 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 99 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 63 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 68 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 35 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3007 from cnoeabs.peaks (2.95, 1.39, 24.53 ppm; 3.87 A): 6 out of 18 assignments used, quality = 1.00: HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.9 3.7=100 * HE3 LYS 73 + HG3 LYS 73 OK 90 100 90 100 2.0-4.2 3.7=100 HE3 LYS 75 + HG3 LYS 75 OK 55 58 95 100 2.3-4.2 3.5=100 HE2 LYS 75 + HG3 LYS 75 OK 54 57 95 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 54 57 95 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 52 58 90 100 2.1-4.2 3.5=100 HB3 TYR 81 - HG2 LYS 83 far 0 45 0 - 5.0-10.5 HE3 LYS 73 - HG2 LYS 83 far 0 79 0 - 6.8-22.2 HE2 LYS 73 - HG2 LYS 83 far 0 79 0 - 7.8-23.0 HE3 LYS 73 - HG3 LYS 75 far 0 61 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 98 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 61 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 61 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 61 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 99 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 60 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 65 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 33 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 5.33 A increased from 4.49 A): 3 out of 11 assignments used, quality = 1.00: H GLY 72 + HG2 ARG 71 OK 96 96 100 100 2.0-5.3 5.0=100 * H LYS 73 + HD2 LYS 73 OK 95 100 95 100 4.5-5.7 787/3.5=93, 788/3.5=89...(20) H LYS 73 + HD3 LYS 73 OK 85 100 85 100 3.3-5.8 787/3.5=93, 788/3.5=89...(18) H ARG 69 - HG2 ARG 71 poor 20 89 25 89 4.4-7.3 5825/2920=60...(6) H LYS 73 - HG2 ARG 71 poor 20 98 20 - 4.5-7.5 H GLY 72 - HD3 LYS 73 far 5 99 5 - 5.6-8.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 6.5-11.1 H GLY 72 - HD2 LYS 73 far 0 99 0 - 6.5-8.3 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.3-8.8 H ARG 69 - HD2 LYS 73 far 0 93 0 - 7.4-10.8 H ALA 30 - HD3 LYS 32 far 0 93 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 4.41 A increased from 3.92 A): 2 out of 13 assignments used, quality = 1.00: HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.4-4.7 2963/2.9=80, 5.2=61...(51) * HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.5-4.6 2963/2.9=80, 5.2=61...(51) HB THR 15 - HD3 LYS 32 far 4 87 5 - 4.5-30.6 HB THR 15 - HD2 LYS 32 far 0 87 0 - 5.2-31.2 HA LEU 29 - HD3 LYS 32 far 0 71 0 - 6.0-7.8 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 6.2-8.0 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.2-10.0 HA ALA 78 - HD2 LYS 73 far 0 81 0 - 8.4-13.4 HA ALA 78 - HD3 LYS 73 far 0 81 0 - 8.4-12.6 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 8.6-14.1 HB THR 15 - HD3 LYS 39 far 0 48 0 - 8.7-27.1 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 9.9-15.0 HB THR 15 - HD2 LYS 39 far 0 50 0 - 9.9-28.0 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 1 out of 14 assignments used, quality = 0.23: * HB2 LYS 73 + HD2 LYS 73 OK 23 100 25 91 2.3-4.1 3.5=56, 3.0/3019=13...(38) HB2 LYS 73 - HD3 LYS 73 poor 18 100 20 90 2.3-4.2 3.5=56, 3.0/3019=13...(36) HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 6.0-8.9 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.3-9.1 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 6.6-10.8 HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 6.6-12.4 HB2 LYS 75 - HD3 LYS 73 far 0 83 0 - 6.7-10.6 HB2 LYS 75 - HD2 LYS 73 far 0 83 0 - 7.2-9.9 HB3 ARG 23 - HG2 ARG 71 far 0 66 0 - 7.4-10.7 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-25.5 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 7.6-25.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 9.8-13.1 Violated in 16 structures by 0.52 A. Peak 3011 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 8 out of 38 assignments used, quality = 1.00: * HB3 LYS 73 + HD2 LYS 73 OK 67 100 80 84 2.2-4.2 3.5=50, 3.0/3009=12...(22) HG3 ARG 71 + HG2 ARG 71 OK 64 64 100 100 1.8-1.8 1.8=100 HB2 LYS 32 + HD2 LYS 32 OK 56 100 60 94 2.0-3.8 3.5=53, 1.8/1571=12...(42) HB3 LYS 32 + HD3 LYS 32 OK 56 100 60 94 2.2-3.7 3.5=53, 1.8/1571=12...(44) HB3 LYS 39 + HD3 LYS 39 OK 54 62 100 87 2.1-2.6 3.5=50, 2.9/1868=14...(20) HB3 LYS 32 + HD2 LYS 32 OK 51 100 55 94 2.1-3.9 3.5=53, 1581/1.8=14...(44) HB2 LYS 32 + HD3 LYS 32 OK 51 100 55 94 2.0-4.0 3.5=53, 1.8/1571=14...(42) HB3 LYS 73 + HD3 LYS 73 OK 49 100 60 82 2.1-3.6 3.5=50, 3.0/3009=12...(20) HB3 LYS 39 - HD2 LYS 39 poor 19 64 30 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 97 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 7.1-11.3 HB3 LYS 75 - HD3 LYS 73 far 0 97 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 96 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 8.1-9.5 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 8.4-30.7 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 8.5-9.8 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 8.5-10.7 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 100 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 58 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.48, 1.61, 28.78 ppm; 3.02 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 13 - HD3 LYS 32 far 0 78 0 - 5.8-27.2 HG3 LYS 13 - HD2 LYS 32 far 0 78 0 - 6.4-28.3 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 7.1-33.0 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-11.5 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 8.0-34.3 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 8.4-11.3 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 8.8-11.3 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 3013 from cnoeabs.peaks (1.39, 1.61, 28.78 ppm; 3.25 A): 4 out of 35 assignments used, quality = 1.00: HG3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HD2 LYS 39 OK 52 52 100 100 2.2-2.9 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 100 100 2.7-3.0 3.0=100 HG3 ARG 69 - HD3 LYS 73 far 5 97 5 - 3.5-8.0 QB ALA 77 - HD3 LYS 73 far 5 96 5 - 2.8-7.4 QB ALA 77 - HD2 LYS 73 far 5 96 5 - 3.0-8.0 HG3 ARG 69 - HD2 LYS 73 far 0 97 0 - 3.7-8.3 HB3 ARG 69 - HD3 LYS 73 far 0 99 0 - 5.2-10.2 QB ALA 16 - HD3 LYS 32 far 0 63 0 - 5.6-22.1 HB3 ARG 69 - HD2 LYS 73 far 0 99 0 - 5.9-10.3 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.2-9.4 HG3 LYS 75 - HD2 LYS 73 far 0 100 0 - 6.6-12.0 HG2 LYS 75 - HD2 LYS 73 far 0 100 0 - 6.7-11.7 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 6.7-22.6 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.9-11.9 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 7.3-12.8 QB ALA 78 - HD2 LYS 73 far 0 100 0 - 7.6-11.6 QB ALA 78 - HD3 LYS 73 far 0 100 0 - 7.6-11.0 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.7-18.4 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 7.8-10.5 HG3 LYS 75 - HD3 LYS 73 far 0 100 0 - 7.8-12.1 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.8-11.5 HG2 LYS 75 - HD3 LYS 73 far 0 100 0 - 7.9-11.9 HG2 LYS 83 - HD3 LYS 73 far 0 85 0 - 8.0-21.2 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 8.1-22.3 QB ALA 77 - HG2 ARG 71 far 0 91 0 - 8.6-11.0 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 8.9-19.8 HG2 LYS 83 - HD2 LYS 73 far 0 85 0 - 9.3-20.5 HG3 ARG 69 - HD2 LYS 39 far 0 60 0 - 9.4-11.7 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 9.5-23.7 HB3 ARG 69 - HD2 LYS 39 far 0 63 0 - 9.6-13.1 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 9.7-13.9 QB ALA 16 - HD3 LYS 73 far 0 63 0 - 10.0-30.1 HG3 ARG 69 - HD3 LYS 39 far 0 57 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3014 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 7 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): 7 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): 12 out of 31 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 * HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 3017 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 12 out of 31 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 92 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 92 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 98 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 52 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (8.00, 1.61, 28.78 ppm; 5.33 A increased from 4.49 A): 3 out of 11 assignments used, quality = 1.00: H GLY 72 + HG2 ARG 71 OK 96 96 100 100 2.0-5.3 5.0=100 H LYS 73 + HD2 LYS 73 OK 95 100 95 100 4.5-5.7 787/3.5=93, 788/3.5=89...(20) * H LYS 73 + HD3 LYS 73 OK 85 100 85 100 3.3-5.8 787/3.5=93, 788/3.5=89...(18) H ARG 69 - HG2 ARG 71 poor 20 89 25 89 4.4-7.3 5825/2920=60...(6) H LYS 73 - HG2 ARG 71 poor 20 98 20 - 4.5-7.5 H GLY 72 - HD3 LYS 73 far 5 99 5 - 5.6-8.4 H ARG 69 - HD3 LYS 73 far 0 93 0 - 6.5-11.1 H GLY 72 - HD2 LYS 73 far 0 99 0 - 6.5-8.3 H ALA 30 - HD2 LYS 32 far 0 93 0 - 7.3-8.8 H ARG 69 - HD2 LYS 73 far 0 93 0 - 7.4-10.8 H ALA 30 - HD3 LYS 32 far 0 93 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (4.18, 1.61, 28.78 ppm; 4.41 A increased from 3.92 A): 2 out of 13 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 99 99 100 100 2.4-4.7 2963/2.9=80, 5.2=61...(51) HA LYS 73 + HD2 LYS 73 OK 99 99 100 100 2.5-4.6 2963/2.9=80, 5.2=61...(51) HB THR 15 - HD3 LYS 32 far 4 87 5 - 4.5-30.6 HB THR 15 - HD2 LYS 32 far 0 87 0 - 5.2-31.2 HA LEU 29 - HD3 LYS 32 far 0 71 0 - 6.0-7.8 HA LEU 29 - HD2 LYS 32 far 0 71 0 - 6.2-8.0 HA LYS 73 - HG2 ARG 71 far 0 96 0 - 7.2-10.0 HA ALA 78 - HD2 LYS 73 far 0 81 0 - 8.4-13.4 HA ALA 78 - HD3 LYS 73 far 0 81 0 - 8.4-12.6 HA GLN 79 - HD3 LYS 73 far 0 96 0 - 8.6-14.1 HB THR 15 - HD3 LYS 39 far 0 48 0 - 8.7-27.1 HA GLN 79 - HD2 LYS 73 far 0 96 0 - 9.9-15.0 HB THR 15 - HD2 LYS 39 far 0 50 0 - 9.9-28.0 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (1.82, 1.61, 28.78 ppm; 2.91 A): 1 out of 14 assignments used, quality = 0.23: HB2 LYS 73 + HD2 LYS 73 OK 23 100 25 91 2.3-4.1 3.5=56, 3.0/3019=13...(38) ! HB2 LYS 73 - HD3 LYS 73 poor 18 100 20 90 2.3-4.2 3.5=56, 3.0/3019=13...(36) HB2 ARG 69 - HD3 LYS 73 far 0 83 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 83 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 78 0 - 6.0-8.9 HB2 LYS 73 - HG2 ARG 71 far 0 98 0 - 6.3-9.1 HB2 LYS 75 - HG2 ARG 71 far 0 78 0 - 6.6-10.8 HB2 ARG 23 - HG2 ARG 71 far 0 69 0 - 6.6-12.4 HB2 LYS 75 - HD3 LYS 73 far 0 83 0 - 6.7-10.6 HB2 LYS 75 - HD2 LYS 73 far 0 83 0 - 7.2-9.9 HB3 ARG 23 - HG2 ARG 71 far 0 66 0 - 7.4-10.7 HB2 ARG 17 - HD2 LYS 32 far 0 89 0 - 7.5-25.5 HB2 ARG 17 - HD3 LYS 32 far 0 88 0 - 7.6-25.2 HB2 ARG 69 - HD2 LYS 39 far 0 47 0 - 9.8-13.1 Violated in 16 structures by 0.52 A. Peak 3021 from cnoeabs.peaks (1.78, 1.61, 28.78 ppm; 2.81 A): 8 out of 38 assignments used, quality = 1.00: HB3 LYS 73 + HD2 LYS 73 OK 67 100 80 84 2.2-4.2 3.5=50, 3.0/3009=12...(22) HG3 ARG 71 + HG2 ARG 71 OK 64 64 100 100 1.8-1.8 1.8=100 HB2 LYS 32 + HD2 LYS 32 OK 56 100 60 94 2.0-3.8 3.5=53, 1.8/1571=12...(42) HB3 LYS 32 + HD3 LYS 32 OK 56 100 60 94 2.2-3.7 3.5=53, 1.8/1571=12...(44) HB3 LYS 39 + HD3 LYS 39 OK 54 62 100 87 2.1-2.6 3.5=50, 2.9/1868=14...(20) HB3 LYS 32 + HD2 LYS 32 OK 51 100 55 94 2.1-3.9 3.5=53, 1581/1.8=14...(44) HB2 LYS 32 + HD3 LYS 32 OK 51 100 55 94 2.0-4.0 3.5=53, 1.8/1571=14...(42) * HB3 LYS 73 + HD3 LYS 73 OK 49 100 60 82 2.1-3.6 3.5=50, 3.0/3009=12...(20) HB3 LYS 39 - HD2 LYS 39 poor 19 64 30 - 2.8-3.7 HB3 LYS 75 - HG2 ARG 71 far 0 94 0 - 5.5-9.8 HB2 ARG 69 - HD3 LYS 73 far 0 71 0 - 5.5-10.0 HB2 ARG 69 - HD2 LYS 73 far 0 71 0 - 5.6-10.0 HB2 ARG 69 - HG2 ARG 71 far 0 66 0 - 6.0-8.9 HB3 LYS 75 - HD2 LYS 73 far 0 97 0 - 6.7-9.8 HG2 PRO 34 - HD3 LYS 39 far 0 48 0 - 7.1-11.3 HB3 LYS 75 - HD3 LYS 73 far 0 97 0 - 7.2-10.0 HB3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.3-10.1 HG2 PRO 34 - HD2 LYS 39 far 0 50 0 - 7.3-12.4 HB2 LYS 13 - HD3 LYS 32 far 0 95 0 - 7.3-26.8 HB2 ARG 54 - HD2 LYS 39 far 0 58 0 - 7.4-10.7 HB2 PRO 34 - HD3 LYS 39 far 0 63 0 - 7.5-10.2 HB2 LYS 13 - HD2 LYS 32 far 0 96 0 - 7.6-27.9 HB2 PRO 34 - HD2 LYS 39 far 0 65 0 - 7.9-11.7 HB ILE 33 - HD3 LYS 39 far 0 59 0 - 8.1-9.5 HB2 PRO 34 - HD3 LYS 32 far 0 100 0 - 8.2-11.7 HB2 PRO 34 - HD2 LYS 32 far 0 100 0 - 8.2-11.7 HB2 LYS 13 - HD3 LYS 39 far 0 56 0 - 8.4-30.7 HB ILE 33 - HD3 LYS 32 far 0 98 0 - 8.5-9.8 HB2 ARG 54 - HD3 LYS 39 far 0 56 0 - 8.5-10.7 HB ILE 33 - HD2 LYS 39 far 0 61 0 - 8.6-10.9 HB ILE 33 - HD2 LYS 32 far 0 98 0 - 8.7-9.8 HG2 PRO 34 - HD2 LYS 32 far 0 87 0 - 8.8-10.6 HG2 PRO 34 - HD3 LYS 32 far 0 87 0 - 8.8-11.6 HG3 ARG 71 - HD3 LYS 73 far 0 68 0 - 8.9-12.2 HB2 LYS 83 - HD3 LYS 73 far 0 100 0 - 9.5-20.5 HG3 ARG 71 - HD2 LYS 73 far 0 68 0 - 9.5-11.7 HB2 LYS 13 - HD2 LYS 39 far 0 58 0 - 9.5-31.9 HB2 ARG 69 - HD2 LYS 39 far 0 39 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 3022 from cnoeabs.peaks (1.48, 1.61, 28.78 ppm; 3.02 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 LYS 13 - HD3 LYS 32 far 0 78 0 - 5.8-27.2 HG3 LYS 13 - HD2 LYS 32 far 0 78 0 - 6.4-28.3 HG3 LYS 13 - HD3 LYS 39 far 0 42 0 - 7.1-33.0 HG2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-11.5 HG3 LYS 13 - HD2 LYS 39 far 0 44 0 - 8.0-34.3 HB3 LEU 57 - HD2 LYS 32 far 0 97 0 - 8.4-11.3 QB ALA 63 - HG2 ARG 71 far 0 95 0 - 8.8-11.3 HB3 LEU 57 - HD3 LYS 32 far 0 97 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 3023 from cnoeabs.peaks (1.39, 1.61, 28.78 ppm; 3.25 A): 4 out of 35 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HD2 LYS 39 OK 52 52 100 100 2.2-2.9 3.0=100 HG3 LYS 39 + HD3 LYS 39 OK 50 50 100 100 2.7-3.0 3.0=100 HG3 ARG 69 - HD3 LYS 73 far 5 97 5 - 3.5-8.0 QB ALA 77 - HD3 LYS 73 far 5 96 5 - 2.8-7.4 QB ALA 77 - HD2 LYS 73 far 5 96 5 - 3.0-8.0 HG3 ARG 69 - HD2 LYS 73 far 0 97 0 - 3.7-8.3 HB3 ARG 69 - HD3 LYS 73 far 0 99 0 - 5.2-10.2 QB ALA 16 - HD3 LYS 32 far 0 63 0 - 5.6-22.1 HB3 ARG 69 - HD2 LYS 73 far 0 99 0 - 5.9-10.3 HB3 ARG 69 - HG2 ARG 71 far 0 96 0 - 6.2-9.4 HG3 LYS 75 - HD2 LYS 73 far 0 100 0 - 6.6-12.0 HG2 LYS 75 - HD2 LYS 73 far 0 100 0 - 6.7-11.7 QB ALA 16 - HD2 LYS 32 far 0 63 0 - 6.7-22.6 HG3 LYS 75 - HG2 ARG 71 far 0 98 0 - 6.9-11.9 HG2 LYS 75 - HG2 ARG 71 far 0 98 0 - 7.3-12.8 QB ALA 78 - HD2 LYS 73 far 0 100 0 - 7.6-11.6 QB ALA 78 - HD3 LYS 73 far 0 100 0 - 7.6-11.0 QB ALA 20 - HD3 LYS 39 far 0 58 0 - 7.7-18.4 HG3 ARG 69 - HG2 ARG 71 far 0 93 0 - 7.8-10.5 HG3 LYS 75 - HD3 LYS 73 far 0 100 0 - 7.8-12.1 HG3 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.8-11.5 HG2 LYS 75 - HD3 LYS 73 far 0 100 0 - 7.9-11.9 HG2 LYS 83 - HD3 LYS 73 far 0 85 0 - 8.0-21.2 QB ALA 16 - HD3 LYS 39 far 0 32 0 - 8.1-22.3 QB ALA 77 - HG2 ARG 71 far 0 91 0 - 8.6-11.0 QB ALA 20 - HD2 LYS 39 far 0 61 0 - 8.9-19.8 HG2 LYS 83 - HD2 LYS 73 far 0 85 0 - 9.3-20.5 HG3 ARG 69 - HD2 LYS 39 far 0 60 0 - 9.4-11.7 QB ALA 16 - HD2 LYS 39 far 0 34 0 - 9.5-23.7 HB3 ARG 69 - HD2 LYS 39 far 0 63 0 - 9.6-13.1 QB ALA 78 - HG2 ARG 71 far 0 98 0 - 9.7-13.9 QB ALA 16 - HD3 LYS 73 far 0 63 0 - 10.0-30.1 HG3 ARG 69 - HD3 LYS 39 far 0 57 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (1.61, 1.61, 28.78 ppm; diagonal): 7 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): 7 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): 12 out of 31 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 41 41 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 93 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 94 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 95 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 95 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 96 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 68 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 68 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 99 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 99 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 56 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 55 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 54 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 54 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 57 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (2.95, 1.61, 28.78 ppm; 2.99 A): 12 out of 31 assignments used, quality = 1.00: HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 32 + HD2 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 32 + HD3 LYS 32 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.3-3.0 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 36 36 100 100 2.3-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 34 34 100 100 2.2-3.0 3.0=100 HE2 LYS 13 - HD3 LYS 32 far 0 92 0 - 4.3-25.9 HE3 LYS 13 - HD3 LYS 32 far 0 93 0 - 5.7-27.5 HE3 LYS 13 - HD2 LYS 32 far 0 93 0 - 5.8-28.7 HE2 LYS 13 - HD2 LYS 32 far 0 92 0 - 5.9-27.0 HE2 LYS 75 - HG2 ARG 71 far 0 94 0 - 7.0-12.2 HE3 LYS 75 - HG2 ARG 71 far 0 95 0 - 7.5-12.8 HB3 TYR 81 - HD2 LYS 73 far 0 65 0 - 7.9-14.1 HE2 LYS 73 - HG2 ARG 71 far 0 98 0 - 7.9-14.0 HB3 TYR 81 - HD3 LYS 73 far 0 65 0 - 8.4-13.2 HE2 LYS 75 - HD3 LYS 73 far 0 98 0 - 8.7-14.0 HE2 LYS 75 - HD2 LYS 73 far 0 98 0 - 9.2-13.9 HB3 TYR 55 - HD2 LYS 39 far 0 57 0 - 9.2-13.1 HE3 LYS 73 - HG2 ARG 71 far 0 98 0 - 9.2-14.2 HE3 LYS 13 - HD3 LYS 39 far 0 54 0 - 9.2-32.9 HE3 LYS 75 - HD3 LYS 73 far 0 99 0 - 9.2-14.1 HB3 TYR 55 - HD3 LYS 39 far 0 55 0 - 9.3-12.3 HE2 LYS 13 - HD3 LYS 39 far 0 52 0 - 9.5-32.2 HE2 LYS 13 - HD2 LYS 39 far 0 55 0 - 9.5-33.1 HE3 LYS 13 - HD2 LYS 39 far 0 56 0 - 9.8-33.3 Violated in 0 structures by 0.00 A. Peak 3030 from cnoeabs.peaks (1.82, 2.95, 41.78 ppm; 3.51 A): 4 out of 17 assignments used, quality = 0.75: HB2 LYS 75 + HE3 LYS 75 OK 33 80 45 90 2.3-5.4 5.0=36, 803/6.7=12...(27) HB2 LYS 75 + HE2 LYS 75 OK 32 79 45 89 2.0-4.8 5.0=36, 3.0/3075=13...(27) * HB2 LYS 73 + HE2 LYS 73 OK 29 100 30 96 2.2-5.4 4.7=42, 3020/3.0=36...(37) HB2 LYS 73 + HE3 LYS 73 OK 24 100 25 96 2.1-5.5 4.7=42, 3020/3.0=36...(37) HB2 ARG 69 - HE2 LYS 73 far 0 83 0 - 5.1-10.8 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 6.4-11.0 HB2 ARG 23 - HE3 LYS 75 far 0 71 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 70 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 83 0 - 6.8-11.5 HB2 LYS 75 - HE3 LYS 73 far 0 83 0 - 7.0-11.4 HB3 ARG 23 - HE3 LYS 75 far 0 68 0 - 7.7-15.5 HB3 ARG 23 - HE2 LYS 75 far 0 68 0 - 8.0-15.2 HB2 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.1-11.6 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.5-12.1 HB2 ARG 17 - HE3 LYS 32 far 0 89 0 - 8.7-26.9 HB2 LYS 85 - HE3 LYS 73 far 0 83 0 - 9.5-27.7 HB2 ARG 17 - HE2 LYS 32 far 0 89 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 8 out of 56 assignments used, quality = 0.95: * HB3 LYS 73 + HE2 LYS 73 OK 40 100 45 88 2.2-4.9 4.7=39, ~3020=18...(24) HB3 LYS 73 + HE3 LYS 73 OK 35 100 40 88 2.1-4.9 4.7=39, ~3020=18...(24) HB3 LYS 32 + HE3 LYS 32 OK 34 100 35 97 2.3-5.1 4.6=42, 2.9/1628=24...(43) HB3 LYS 32 + HE2 LYS 32 OK 34 100 35 97 3.3-5.1 4.6=42, 2.9/1628=26...(43) HB2 LYS 32 + HE3 LYS 32 OK 29 100 30 97 2.6-5.1 4.6=42, 2.9/1628=24...(43) HB3 LYS 75 + HE2 LYS 75 OK 28 95 35 86 2.2-5.4 5.0=33, 3093/2.9=14...(22) HB2 LYS 32 + HE2 LYS 32 OK 24 100 25 97 2.0-4.8 4.6=42, 2.9/1628=26...(43) HB2 LYS 13 + HE2 LYS 13 OK 21 82 30 85 2.7-5.4 5.2=28, 1006/2.9=13...(21) HB3 LYS 39 - HE2 LYS 39 poor 18 72 25 - 2.3-4.5 HB3 LYS 39 - HE3 LYS 39 poor 18 67 30 89 2.5-4.5 4.7=39, ~1884=17...(21) HB2 LYS 13 - HE3 LYS 13 poor 17 84 20 - 2.2-5.5 HB3 LYS 75 - HE3 LYS 75 far 14 95 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 5 90 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 89 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 90 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 89 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 87 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 96 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 61 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 57 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 66 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 73 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 86 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 66 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 65 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 53 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 91 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 96 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 97 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 7.7-13.6 HB ILE 33 - HE2 LYS 39 far 0 69 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 74 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 68 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 97 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 90 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 66 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 68 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 73 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 61 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 89 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 100 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 64 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 71 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 97 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 84 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 90 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.77 A increased from 3.55 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.1-4.0 3.7=100 HG2 LYS 73 + HE3 LYS 73 OK 95 100 95 100 2.5-4.2 3.7=100 HG3 LYS 13 + HE3 LYS 13 OK 66 66 100 100 2.2-3.9 3.8=97, 1037/1.8=17...(48) HG3 LYS 13 + HE2 LYS 13 OK 61 65 95 100 2.3-4.2 3.8=97, 1037/1.8=18...(44) HG3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.5-28.3 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 7.3-29.1 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 7.9-12.5 HG3 LYS 13 - HE2 LYS 39 far 0 50 0 - 8.1-35.0 HG2 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.5-12.8 HG2 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.8-13.1 HG3 LYS 13 - HE3 LYS 39 far 0 46 0 - 8.9-35.9 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 9.0-12.8 HB3 LEU 57 - HE2 LYS 13 far 0 85 0 - 9.3-30.9 HB3 LEU 52 - HE3 LYS 39 far 0 67 0 - 9.8-14.9 QB ALA 63 - HE2 LYS 32 far 0 99 0 - 10.0-14.5 HB3 LEU 57 - HE3 LYS 13 far 0 86 0 - 10.0-31.9 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.65 A increased from 3.25 A): 8 out of 44 assignments used, quality = 1.00: * HG3 LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.3-3.9 3.7=96, 2963/6.1=21...(47) HG2 LYS 75 + HE2 LYS 75 OK 94 99 95 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE2 LYS 75 OK 89 99 90 100 2.0-4.2 3.5=100 HG3 LYS 73 + HE3 LYS 73 OK 85 100 85 100 2.0-4.2 3.7=96, 2963/6.1=21...(47) HG2 LYS 75 + HE3 LYS 75 OK 84 99 85 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE3 LYS 75 OK 79 99 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 54 54 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 47 59 80 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 10 96 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 97 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 96 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 97 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 99 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 99 0 - 4.8-10.6 QB ALA 16 - HE3 LYS 13 far 0 52 0 - 5.1-12.7 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 5.2-11.2 QB ALA 16 - HE2 LYS 32 far 0 63 0 - 5.6-22.8 QB ALA 16 - HE3 LYS 32 far 0 63 0 - 5.8-23.7 QB ALA 16 - HE2 LYS 13 far 0 51 0 - 6.1-12.1 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 85 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 75 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 95 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 100 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 85 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 100 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 95 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 100 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 100 0 - 8.5-11.9 QB ALA 16 - HE3 LYS 39 far 0 36 0 - 8.5-22.9 HG2 LYS 75 - HE2 LYS 73 far 0 100 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 76 0 - 8.8-35.6 QB ALA 16 - HE2 LYS 39 far 0 39 0 - 8.9-22.8 HG3 LYS 75 - HE2 LYS 73 far 0 100 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 68 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 63 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 66 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 67 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 71 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 62 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 42 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) * HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 28 37 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 28 39 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 24 41 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE3 LYS 39 OK 21 36 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 12 out of 42 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) * HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 28 37 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 28 39 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 24 41 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE3 LYS 39 OK 21 36 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 90 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 62 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 91 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 90 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 67 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 96 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 86 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 99 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 87 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 99 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 52 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 88 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 99 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 51 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 53 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 69 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 54 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 75 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 10 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): 10 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; 3.51 A): 4 out of 17 assignments used, quality = 0.75: HB2 LYS 75 + HE3 LYS 75 OK 32 79 45 90 2.3-5.4 5.0=36, 803/6.7=12...(27) HB2 LYS 75 + HE2 LYS 75 OK 32 78 45 89 2.0-4.8 5.0=36, 3.0/3075=13...(27) HB2 LYS 73 + HE2 LYS 73 OK 29 100 30 96 2.2-5.4 4.7=42, 3020/3.0=36...(37) * HB2 LYS 73 + HE3 LYS 73 OK 24 100 25 96 2.1-5.5 4.7=42, 3020/3.0=36...(37) HB2 ARG 69 - HE2 LYS 73 far 0 83 0 - 5.1-10.8 HB2 ARG 69 - HE3 LYS 73 far 0 83 0 - 6.4-11.0 HB2 ARG 23 - HE3 LYS 75 far 0 70 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 69 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 83 0 - 6.8-11.5 HB2 LYS 75 - HE3 LYS 73 far 0 83 0 - 7.0-11.4 HB3 ARG 23 - HE3 LYS 75 far 0 68 0 - 7.7-15.5 HB3 ARG 23 - HE2 LYS 75 far 0 67 0 - 8.0-15.2 HB2 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.1-11.6 HB2 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.5-12.1 HB2 ARG 17 - HE3 LYS 32 far 0 88 0 - 8.7-26.9 HB2 LYS 85 - HE3 LYS 73 far 0 83 0 - 9.5-27.7 HB2 ARG 17 - HE2 LYS 32 far 0 89 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (1.78, 2.95, 41.78 ppm; 3.42 A): 8 out of 56 assignments used, quality = 0.95: HB3 LYS 73 + HE2 LYS 73 OK 40 100 45 88 2.2-4.9 4.7=39, ~3020=18...(24) * HB3 LYS 73 + HE3 LYS 73 OK 35 100 40 88 2.1-4.9 4.7=39, ~3020=18...(24) HB3 LYS 32 + HE2 LYS 32 OK 34 100 35 97 3.3-5.1 4.6=42, 2.9/1628=26...(43) HB3 LYS 32 + HE3 LYS 32 OK 34 100 35 97 2.3-5.1 4.6=42, 2.9/1628=24...(43) HB2 LYS 32 + HE3 LYS 32 OK 29 100 30 97 2.6-5.1 4.6=42, 2.9/1628=24...(43) HB3 LYS 75 + HE2 LYS 75 OK 28 94 35 85 2.2-5.4 5.0=33, 3093/2.9=14...(22) HB2 LYS 32 + HE2 LYS 32 OK 24 100 25 97 2.0-4.8 4.6=42, 2.9/1628=26...(43) HB2 LYS 13 + HE2 LYS 13 OK 21 81 30 85 2.7-5.4 5.2=28, 1006/2.9=13...(21) HB3 LYS 39 - HE3 LYS 39 poor 19 64 30 - 2.5-4.5 HB3 LYS 39 - HE2 LYS 39 poor 17 70 25 - 2.3-4.5 HB2 LYS 13 - HE3 LYS 13 poor 16 82 20 - 2.2-5.5 HB3 LYS 75 - HE3 LYS 75 far 14 95 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 4 89 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 71 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 86 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 95 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 58 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 71 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 55 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 71 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 84 0 - 7.0-26.7 HG3 ARG 71 - HE3 LYS 75 far 0 65 0 - 7.0-13.7 HG3 ARG 71 - HE2 LYS 75 far 0 64 0 - 7.1-13.2 HG2 PRO 34 - HE3 LYS 39 far 0 50 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 90 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 96 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 97 0 - 7.6-11.3 HG3 ARG 71 - HE3 LYS 73 far 0 68 0 - 7.7-13.6 HB ILE 33 - HE2 LYS 39 far 0 67 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 73 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 65 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 97 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 98 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 88 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 100 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 63 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 87 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 98 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.5-11.5 HG3 ARG 71 - HE2 LYS 73 far 0 68 0 - 8.7-13.3 HB3 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 71 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 58 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 100 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 87 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 100 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 61 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 87 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 71 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 97 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 82 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 89 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (1.48, 2.95, 41.78 ppm; 3.77 A increased from 3.55 A): 4 out of 16 assignments used, quality = 1.00: HG2 LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.1-4.0 3.7=100 * HG2 LYS 73 + HE3 LYS 73 OK 95 100 95 100 2.5-4.2 3.7=100 HG3 LYS 13 + HE3 LYS 13 OK 64 65 100 100 2.2-3.9 3.8=97, 1037/1.8=17...(48) HG3 LYS 13 + HE2 LYS 13 OK 60 63 95 100 2.3-4.2 3.8=97, 1037/1.8=18...(44) HG3 LYS 13 - HE2 LYS 32 far 0 78 0 - 5.5-28.3 HG3 LYS 13 - HE3 LYS 32 far 0 78 0 - 7.3-29.1 HB3 LEU 57 - HE2 LYS 32 far 0 97 0 - 7.9-12.5 HG3 LYS 13 - HE2 LYS 39 far 0 48 0 - 8.1-35.0 HG2 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.5-12.8 HG2 LYS 73 - HE3 LYS 75 far 0 99 0 - 8.8-13.1 HG3 LYS 13 - HE3 LYS 39 far 0 44 0 - 8.9-35.9 HB3 LEU 57 - HE3 LYS 32 far 0 97 0 - 9.0-12.8 HB3 LEU 57 - HE2 LYS 13 far 0 83 0 - 9.3-30.9 HB3 LEU 52 - HE3 LYS 39 far 0 64 0 - 9.8-14.9 QB ALA 63 - HE2 LYS 32 far 0 99 0 - 10.0-14.5 HB3 LEU 57 - HE3 LYS 13 far 0 85 0 - 10.0-31.9 Violated in 0 structures by 0.00 A. Peak 3043 from cnoeabs.peaks (1.39, 2.95, 41.78 ppm; 3.65 A increased from 3.25 A): 8 out of 44 assignments used, quality = 1.00: HG3 LYS 73 + HE2 LYS 73 OK 100 100 100 100 2.3-3.9 3.7=96, 2963/6.1=21...(47) HG2 LYS 75 + HE2 LYS 75 OK 93 98 95 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE2 LYS 75 OK 88 98 90 100 2.0-4.2 3.5=100 * HG3 LYS 73 + HE3 LYS 73 OK 85 100 85 100 2.0-4.2 3.7=96, 2963/6.1=21...(47) HG2 LYS 75 + HE3 LYS 75 OK 84 99 85 100 2.1-4.2 3.5=100 HG3 LYS 75 + HE3 LYS 75 OK 79 99 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 52 52 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 45 57 80 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 10 96 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 97 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 96 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 97 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 99 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 98 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 99 0 - 4.8-10.6 QB ALA 16 - HE3 LYS 13 far 0 51 0 - 5.1-12.7 HB3 ARG 69 - HE3 LYS 73 far 0 99 0 - 5.2-11.2 QB ALA 16 - HE2 LYS 32 far 0 63 0 - 5.6-22.8 QB ALA 16 - HE3 LYS 32 far 0 63 0 - 5.8-23.7 QB ALA 16 - HE2 LYS 13 far 0 49 0 - 6.1-12.1 QB ALA 77 - HE2 LYS 75 far 0 92 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 85 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 73 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 95 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 100 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 85 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 100 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 94 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 100 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 100 0 - 8.5-11.9 QB ALA 16 - HE3 LYS 39 far 0 34 0 - 8.5-22.9 HG2 LYS 75 - HE2 LYS 73 far 0 100 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 75 0 - 8.8-35.6 QB ALA 16 - HE2 LYS 39 far 0 37 0 - 8.9-22.8 HG3 LYS 75 - HE2 LYS 73 far 0 100 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 66 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 61 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 63 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 64 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 68 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 60 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3044 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 11 out of 42 assignments used, quality = 1.00: * HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 27 36 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 26 37 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 23 39 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 - HE3 LYS 39 poor 20 34 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 86 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 49 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 74 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 3045 from cnoeabs.peaks (1.61, 2.95, 41.78 ppm; 2.66 A): 11 out of 42 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 76 100 95 80 2.2-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 32 + HE3 LYS 32 OK 68 100 75 90 2.3-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 32 + HE2 LYS 32 OK 63 100 70 91 2.3-3.0 3.0=71, 3.0/1628=15...(25) HD2 LYS 32 + HE2 LYS 32 OK 63 100 70 90 2.4-3.0 3.0=71, 3.0/1628=15...(25) HD3 LYS 32 + HE3 LYS 32 OK 63 100 70 91 2.4-3.0 3.0=71, 3.0/1628=14...(25) HD3 LYS 73 + HE2 LYS 73 OK 60 100 75 80 2.2-3.0 3.0=71, 3.5/3040=6...(13) HD2 LYS 73 + HE2 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=6...(14) * HD3 LYS 73 + HE3 LYS 73 OK 44 100 55 80 2.4-3.0 3.0=71, 3.5/3040=5...(13) HD2 LYS 39 + HE3 LYS 39 OK 27 36 95 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 + HE2 LYS 39 OK 26 37 90 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD2 LYS 39 + HE2 LYS 39 OK 23 39 75 79 2.3-3.0 3.0=71, 1868/3.6=6...(8) HD3 LYS 39 - HE3 LYS 39 poor 20 34 75 79 2.2-3.0 3.0=71, 1884/4.7=6...(7) HD3 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.3-25.9 HG3 ARG 70 - HE3 LYS 73 far 0 100 0 - 4.4-12.4 HG3 ARG 70 - HE2 LYS 73 far 0 100 0 - 4.8-11.7 HB3 LEU 51 - HE3 LYS 39 far 0 60 0 - 5.0-10.0 HD3 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.7-27.5 HD2 LYS 32 - HE3 LYS 13 far 0 90 0 - 5.8-28.7 HD2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.9-27.0 HB3 LEU 51 - HE2 LYS 39 far 0 65 0 - 6.0-9.1 HG2 ARG 71 - HE2 LYS 75 far 0 95 0 - 7.0-12.2 HG2 ARG 71 - HE3 LYS 75 far 0 96 0 - 7.5-12.8 HG2 ARG 17 - HE3 LYS 32 far 0 99 0 - 7.5-24.9 HG2 ARG 71 - HE2 LYS 73 far 0 98 0 - 7.9-14.0 HG3 ARG 17 - HE3 LYS 32 far 0 98 0 - 8.5-26.6 HG3 ARG 17 - HE2 LYS 13 far 0 84 0 - 8.6-16.8 HD3 LYS 73 - HE2 LYS 75 far 0 98 0 - 8.7-14.0 HG3 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.0-25.2 HG2 ARG 17 - HE2 LYS 13 far 0 85 0 - 9.0-18.0 HG3 ARG 17 - HE3 LYS 13 far 0 86 0 - 9.1-17.6 HG2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.2-23.5 HD2 LYS 73 - HE2 LYS 75 far 0 98 0 - 9.2-13.9 HG2 ARG 71 - HE3 LYS 73 far 0 98 0 - 9.2-14.2 HD3 LYS 39 - HE3 LYS 13 far 0 51 0 - 9.2-32.9 HD3 LYS 73 - HE3 LYS 75 far 0 99 0 - 9.2-14.1 HG2 ARG 17 - HE3 LYS 13 far 0 87 0 - 9.3-18.1 HG3 ARG 70 - HE2 LYS 75 far 0 98 0 - 9.4-15.8 HD3 LYS 39 - HE2 LYS 13 far 0 49 0 - 9.5-32.2 HD2 LYS 39 - HE2 LYS 13 far 0 52 0 - 9.5-33.1 HG3 ARG 17 - HE2 LYS 39 far 0 67 0 - 9.8-25.3 HD2 LYS 39 - HE3 LYS 13 far 0 53 0 - 9.8-33.3 HG3 ARG 27 - HE2 LYS 75 far 0 74 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 10 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): 10 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 2 assignments used, quality = 1.00: * HB2 ASN 74 + HA ASN 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 74 + HA ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3051 from cnoeabs.peaks (2.78, 4.62, 53.40 ppm; 3.04 A): 3 out of 4 assignments used, quality = 1.00: * HB3 ASN 74 + HA ASN 74 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 80 + HA ASN 80 OK 68 68 100 100 2.5-3.0 3.0=100 HB2 ASN 74 + HA ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 HB3 ASN 80 - HA ASN 74 far 0 71 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.15, 2.81, 38.52 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 74 + HB2 ASN 74 OK 100 100 100 100 2.2-3.5 4.0=100 H ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.3-3.6 4.0=100 H ALA 78 - HB3 ASN 74 far 3 57 5 - 4.9-8.3 H ALA 78 - HB2 ASN 74 far 0 100 0 - 6.0-9.2 Violated in 0 structures by 0.00 A. Peak 3055 from cnoeabs.peaks (4.62, 2.81, 38.52 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 74 + HB2 ASN 74 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3056 from cnoeabs.peaks (2.81, 2.81, 38.52 ppm; diagonal): 2 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; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 74 + HB2 ASN 74 OK 100 100 100 100 2.1-3.4 3.5=100 HD21 ASN 74 + HB3 ASN 74 OK 57 57 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (6.90, 2.81, 38.52 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 74 + HB2 ASN 74 OK 100 100 100 100 3.4-4.0 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 57 57 100 100 3.4-4.1 3.5=100 HD22 ASN 80 - HB2 ASN 74 far 0 99 0 - 7.7-13.3 HD22 ASN 80 - HB3 ASN 74 far 0 54 0 - 8.5-13.2 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (8.15, 2.78, 38.52 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 74 + HB3 ASN 74 OK 100 100 100 100 2.3-3.6 4.0=100 H ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.2-3.5 4.0=100 H ALA 78 - HB3 ASN 74 far 5 100 5 - 4.9-8.3 H ALA 78 - HB3 ASN 80 far 0 68 0 - 5.5-7.4 H ALA 78 - HB2 ASN 74 far 0 57 0 - 6.0-9.2 H ASN 74 - HB3 ASN 80 far 0 69 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 3061 from cnoeabs.peaks (4.62, 2.78, 38.52 ppm; 3.52 A): 3 out of 4 assignments used, quality = 1.00: * HA ASN 74 + HB3 ASN 74 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASN 80 + HB3 ASN 80 OK 66 66 100 100 2.5-3.0 3.0=100 HA ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.3-3.0 3.0=100 HA ASN 74 - HB3 ASN 80 far 0 69 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. 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): 3 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 3 assignments used, quality = 1.00: * HD21 ASN 74 + HB3 ASN 74 OK 100 100 100 100 2.1-3.6 3.5=100 HD21 ASN 74 + HB2 ASN 74 OK 57 57 100 100 2.1-3.4 3.5=100 HD21 ASN 42 - HB3 ASN 80 far 0 59 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HD22 ASN 80 + HB3 ASN 80 OK 65 65 100 100 3.5-4.1 3.5=100 HD22 ASN 74 + HB2 ASN 74 OK 57 57 100 100 3.4-4.0 3.5=100 HD22 ASN 80 - HB2 ASN 74 far 0 54 0 - 7.7-13.3 HD22 ASN 80 - HB3 ASN 74 far 0 99 0 - 8.5-13.2 HD22 ASN 74 - HB3 ASN 80 far 0 69 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (8.09, 4.24, 56.87 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 75 + HA LYS 75 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 71 - HA LYS 75 far 0 92 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 71 - HA LYS 75 far 0 97 0 - 5.9-9.7 HB2 ARG 71 - HA LYS 75 far 0 97 0 - 6.6-9.6 HB2 LYS 73 - HA LYS 75 far 0 83 0 - 7.7-8.3 HB2 ARG 23 - HA LYS 75 far 0 100 0 - 9.5-15.9 Violated in 0 structures by 0.00 A. Peak 3069 from cnoeabs.peaks (1.79, 4.24, 56.87 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 75 + HA LYS 75 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 73 - HA LYS 75 far 0 97 0 - 7.3-7.8 HB3 ARG 84 - HA LYS 75 far 0 92 0 - 9.9-22.1 Violated in 0 structures by 0.00 A. Peak 3070 from cnoeabs.peaks (1.39, 4.24, 56.87 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.97: * HG2 LYS 75 + HA LYS 75 OK 92 100 95 97 2.2-3.8 3.9=65, ~803=20...(46) HG3 LYS 75 + HA LYS 75 OK 67 100 70 96 2.2-3.8 3.9=65, ~803=20...(44) QB ALA 78 - HA LYS 75 far 5 100 5 - 2.7-7.8 QB ALA 77 - HA LYS 75 far 0 93 0 - 4.2-5.8 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (1.39, 4.24, 56.87 ppm; 3.36 A): 2 out of 5 assignments used, quality = 0.97: HG2 LYS 75 + HA LYS 75 OK 92 100 95 97 2.2-3.8 3.9=65, ~803=20...(46) * HG3 LYS 75 + HA LYS 75 OK 67 100 70 96 2.2-3.8 3.9=65, ~803=20...(44) QB ALA 78 - HA LYS 75 far 5 100 5 - 2.7-7.8 QB ALA 77 - HA LYS 75 far 0 93 0 - 4.2-5.8 HG3 LYS 73 - HA LYS 75 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 4.65 A increased from 3.91 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.0-4.7 4.7=99, 2.9/3071=51...(46) HD3 LYS 75 + HA LYS 75 OK 95 100 95 100 2.0-5.5 4.7=99, 2.9/3070=51...(45) Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (1.66, 4.24, 56.87 ppm; 4.65 A increased from 3.91 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 75 + HA LYS 75 OK 100 100 100 100 2.0-4.7 4.7=99, 2.9/3071=51...(46) * HD3 LYS 75 + HA LYS 75 OK 95 100 95 100 2.0-5.5 4.7=99, 2.9/3070=51...(45) Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (2.96, 4.24, 56.87 ppm; 5.58 A): 2 out of 5 assignments used, quality = 0.98: HE2 LYS 75 + HA LYS 75 OK 90 100 90 100 2.5-6.0 6.4=66, 3.5/3071=55...(41) * HE3 LYS 75 + HA LYS 75 OK 80 100 80 100 3.7-6.0 6.4=66, 3.5/3071=55...(47) HE2 LYS 73 - HA LYS 75 far 0 99 0 - 7.6-11.8 HB3 TYR 81 - HA LYS 75 far 0 85 0 - 8.1-11.5 HE3 LYS 73 - HA LYS 75 far 0 99 0 - 8.4-11.9 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (8.09, 1.84, 32.59 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.2-3.6 4.0=100 H ARG 71 - HB2 LYS 73 far 10 65 15 - 4.5-5.9 H LYS 75 - HB2 LYS 73 far 0 77 0 - 4.9-5.5 H ARG 71 - HB2 LYS 75 far 0 92 0 - 6.8-9.2 Violated in 0 structures by 0.00 A. Peak 3077 from cnoeabs.peaks (4.24, 1.84, 32.59 ppm; 3.33 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 39 + HB2 LYS 39 OK 85 85 100 100 2.9-3.0 3.0=100 HA ALA 77 - HB2 LYS 73 far 0 70 0 - 6.5-8.6 HB THR 37 - HB2 LYS 39 far 0 64 0 - 6.7-7.6 HA ALA 77 - HB2 LYS 75 far 0 97 0 - 7.2-8.1 HA ALA 20 - HB2 LYS 39 far 0 72 0 - 7.3-19.7 HA LYS 75 - HB2 LYS 73 far 0 77 0 - 7.7-8.3 HA GLU 19 - HB2 LYS 39 far 0 78 0 - 9.0-19.7 HB THR 37 - HB2 LYS 75 far 0 81 0 - 9.2-13.2 HA THR 15 - HB2 LYS 39 far 0 87 0 - 9.7-27.6 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 1.00: * HB3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 39 + HB2 LYS 39 OK 86 86 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HB2 LYS 73 OK 72 72 100 100 1.8-1.8 1.8=100 HB2 ARG 69 - HB2 LYS 73 far 0 65 0 - 5.2-6.7 HB3 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.6-7.7 HB3 LYS 73 - HB2 LYS 75 far 0 97 0 - 6.7-8.5 HB ILE 33 - HB2 LYS 39 far 0 68 0 - 7.7-7.9 HG2 PRO 34 - HB2 LYS 39 far 0 48 0 - 8.3-10.3 HB2 ARG 54 - HB2 LYS 39 far 0 62 0 - 8.4-10.8 HB2 PRO 34 - HB2 LYS 39 far 0 84 0 - 8.5-10.6 HB2 ARG 69 - HB2 LYS 39 far 0 75 0 - 8.8-10.8 HB2 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.1-30.4 Violated in 0 structures by 0.00 A. Peak 3080 from cnoeabs.peaks (1.39, 1.84, 32.59 ppm; 3.44 A): 4 out of 18 assignments used, quality = 1.00: * HG2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 HG3 ARG 69 - HB2 LYS 73 far 7 68 10 - 3.3-6.3 QB ALA 77 - HB2 LYS 73 far 0 67 0 - 4.7-6.7 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 4.8-8.6 HB3 ARG 69 - HB2 LYS 73 far 0 75 0 - 5.2-6.9 HG3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.7-9.5 QB ALA 77 - HB2 LYS 75 far 0 93 0 - 5.8-6.7 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 6.3-17.2 HG2 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.7-9.6 HG3 LYS 73 - HB2 LYS 75 far 0 100 0 - 6.7-8.9 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 8.2-9.9 QB ALA 78 - HB2 LYS 73 far 0 77 0 - 8.4-10.5 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 8.5-10.9 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 9.5-13.8 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (1.39, 1.84, 32.59 ppm; 3.44 A): 4 out of 18 assignments used, quality = 1.00: HG2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 * HG3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG3 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 75 75 100 100 2.5-3.0 2.9=100 HG3 ARG 69 - HB2 LYS 73 far 7 68 10 - 3.3-6.3 QB ALA 77 - HB2 LYS 73 far 0 67 0 - 4.7-6.7 QB ALA 78 - HB2 LYS 75 far 0 100 0 - 4.8-8.6 HB3 ARG 69 - HB2 LYS 73 far 0 75 0 - 5.2-6.9 HG3 LYS 75 - HB2 LYS 73 far 0 77 0 - 5.7-9.5 QB ALA 77 - HB2 LYS 75 far 0 93 0 - 5.8-6.7 QB ALA 20 - HB2 LYS 39 far 0 79 0 - 6.3-17.2 HG2 LYS 75 - HB2 LYS 73 far 0 77 0 - 6.7-9.6 HG3 LYS 73 - HB2 LYS 75 far 0 100 0 - 6.7-8.9 HG3 ARG 69 - HB2 LYS 39 far 0 78 0 - 8.2-9.9 QB ALA 78 - HB2 LYS 73 far 0 77 0 - 8.4-10.5 HB3 ARG 69 - HB2 LYS 39 far 0 86 0 - 8.5-10.9 HG3 ARG 69 - HB2 LYS 75 far 0 95 0 - 9.5-13.8 HB3 ARG 69 - HB2 LYS 75 far 0 100 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (1.66, 1.84, 32.59 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 HD3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.8 3.5=100 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 7.0-10.4 HD2 LYS 75 - HB2 LYS 73 far 0 77 0 - 7.9-11.0 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 8.4-31.9 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.6-30.6 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (1.66, 1.84, 32.59 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.1-4.2 3.5=100 * HD3 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.3-3.8 3.5=100 HD3 LYS 75 - HB2 LYS 73 far 0 77 0 - 7.0-10.4 HD2 LYS 75 - HB2 LYS 73 far 0 77 0 - 7.9-11.0 HB3 LYS 13 - HB2 LYS 39 far 0 72 0 - 8.4-31.9 HD2 LYS 13 - HB2 LYS 39 far 0 87 0 - 9.6-30.6 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (2.96, 1.84, 32.59 ppm; 4.69 A): 6 out of 10 assignments used, quality = 1.00: * HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-4.8 5.0=84, 6.7/803=32...(27) HE3 LYS 75 + HB2 LYS 75 OK 95 100 95 100 2.3-5.4 5.0=84, 6.7/803=32...(33) HE2 LYS 39 + HB2 LYS 39 OK 73 73 100 100 2.7-4.8 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 70 73 95 100 2.2-5.4 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 66 70 95 100 3.8-5.4 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 65 73 90 100 2.1-5.5 4.7=100 HE2 LYS 73 - HB2 LYS 75 far 0 99 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 98 0 - 7.0-11.4 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 8.1-11.6 HE3 LYS 75 - HB2 LYS 73 far 0 77 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (2.96, 1.84, 32.59 ppm; 4.69 A): 6 out of 10 assignments used, quality = 1.00: HE2 LYS 75 + HB2 LYS 75 OK 100 100 100 100 2.0-4.8 5.0=84, 6.7/803=32...(27) * HE3 LYS 75 + HB2 LYS 75 OK 95 100 95 100 2.3-5.4 5.0=84, 6.7/803=32...(33) HE2 LYS 39 + HB2 LYS 39 OK 72 72 100 100 2.7-4.8 4.7=100 HE2 LYS 73 + HB2 LYS 73 OK 70 74 95 100 2.2-5.4 4.7=100 HE3 LYS 73 + HB2 LYS 73 OK 66 73 90 100 2.1-5.5 4.7=100 HE3 LYS 39 + HB2 LYS 39 OK 65 68 95 100 3.8-5.4 4.7=100 HE2 LYS 73 - HB2 LYS 75 far 0 99 0 - 6.8-11.5 HE3 LYS 73 - HB2 LYS 75 far 0 99 0 - 7.0-11.4 HE2 LYS 75 - HB2 LYS 73 far 0 77 0 - 8.1-11.6 HE3 LYS 75 - HB2 LYS 73 far 0 77 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (8.09, 1.79, 32.59 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.2-3.0 4.0=100 H LYS 85 + HB2 LYS 85 OK 82 82 100 100 2.2-3.8 4.0=100 H LYS 75 - HB3 LYS 73 far 0 93 0 - 4.7-5.4 H LYS 85 - HB2 LYS 83 far 0 92 0 - 5.4-7.7 H ARG 71 - HB3 LYS 73 far 0 81 0 - 5.6-7.2 H ARG 71 - HB3 LYS 75 far 0 92 0 - 6.6-8.7 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (4.24, 1.79, 32.59 ppm; 3.23 A): 4 out of 18 assignments used, quality = 1.00: * HA LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 83 + HB2 LYS 83 OK 99 99 100 100 2.4-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.4-2.8 3.0=100 HA LYS 85 + HB2 LYS 85 OK 80 80 100 100 2.4-3.0 3.0=100 HA ALA 12 - HB2 LYS 13 far 0 81 0 - 4.7-5.9 HA ALA 77 - HB3 LYS 73 far 0 86 0 - 4.9-7.5 HA THR 15 - HB2 LYS 13 far 0 91 0 - 5.4-9.3 HA LYS 85 - HB2 LYS 83 far 0 90 0 - 5.5-8.4 HA LYS 83 - HB2 LYS 85 far 0 92 0 - 5.5-9.3 HA ALA 77 - HB3 LYS 75 far 0 97 0 - 7.1-8.5 HA ALA 20 - HB3 LYS 39 far 0 78 0 - 7.1-19.9 HB THR 37 - HB3 LYS 39 far 0 70 0 - 7.2-8.1 HA LYS 75 - HB3 LYS 73 far 0 93 0 - 7.3-7.8 HA ALA 77 - HB2 LYS 83 far 0 95 0 - 7.9-14.5 HA GLU 19 - HB3 LYS 39 far 0 85 0 - 8.7-19.9 HA LYS 39 - HB2 LYS 13 far 0 89 0 - 8.9-32.9 HA THR 15 - HB3 LYS 39 far 0 93 0 - 9.2-28.5 HB THR 37 - HB3 LYS 75 far 0 81 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 3088 from cnoeabs.peaks (1.84, 1.79, 32.59 ppm; 2.40 A): 3 out of 13 assignments used, quality = 1.00: * HB2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 39 + HB3 LYS 39 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 LYS 73 + HB3 LYS 73 OK 72 72 100 100 1.8-1.8 1.8=100 HB3 ARG 71 - HB3 LYS 75 far 0 97 0 - 4.4-9.0 HB2 ARG 71 - HB3 LYS 75 far 0 97 0 - 4.9-7.9 HB2 LYS 73 - HB3 LYS 75 far 0 83 0 - 6.6-7.7 HB2 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.7-8.5 HB2 ARG 71 - HB3 LYS 73 far 0 87 0 - 7.3-8.7 HB3 ARG 71 - HB3 LYS 73 far 0 86 0 - 7.7-8.8 HB2 ARG 23 - HB3 LYS 75 far 0 100 0 - 8.1-14.8 HB2 LYS 39 - HB2 LYS 13 far 0 84 0 - 9.1-30.4 HB3 ARG 23 - HB3 LYS 75 far 0 100 0 - 9.1-13.8 HB2 ARG 17 - HB2 LYS 13 far 0 91 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. 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): 6 out of 28 assignments used, quality = 1.00: HG3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 * HG2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 100 100 2.2-3.0 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 100 100 2.4-3.0 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 100 100 2.3-3.0 2.9=100 QB ALA 77 - HB3 LYS 73 far 4 82 5 - 3.3-5.4 HG2 LYS 83 - HB2 LYS 85 far 0 69 0 - 4.5-10.8 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 4.5-11.5 QB ALA 78 - HB2 LYS 83 far 0 99 0 - 4.7-12.2 HG3 ARG 69 - HB3 LYS 73 far 0 84 0 - 4.9-7.7 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 5.2-9.4 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 5.4-7.1 HG3 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.0-9.3 HG3 LYS 73 - HB3 LYS 75 far 0 100 0 - 6.6-8.7 HB3 ARG 69 - HB3 LYS 73 far 0 91 0 - 6.6-8.6 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 6.6-17.4 QB ALA 78 - HB2 LYS 85 far 0 92 0 - 6.7-17.3 HG2 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.8-9.3 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 7.4-9.4 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 7.8-12.3 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 8.5-33.2 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 9.3-10.9 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 9.5-12.9 QB ALA 77 - HB2 LYS 85 far 0 82 0 - 9.6-17.8 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 9.8-12.1 HG2 LYS 83 - HB3 LYS 73 far 0 69 0 - 9.8-20.6 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (1.39, 1.79, 32.59 ppm; 3.07 A): 6 out of 28 assignments used, quality = 1.00: * HG3 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HG3 LYS 73 + HB3 LYS 73 OK 92 92 100 100 2.2-3.0 2.9=100 HG2 LYS 85 + HB2 LYS 85 OK 84 84 100 100 2.3-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 82 82 100 100 2.4-3.0 2.9=100 HG2 LYS 83 + HB2 LYS 83 OK 79 79 100 100 2.3-3.0 2.9=100 QB ALA 77 - HB3 LYS 73 far 4 82 5 - 3.3-5.4 HG2 LYS 83 - HB2 LYS 85 far 0 69 0 - 4.5-10.8 HG2 LYS 85 - HB2 LYS 83 far 0 94 0 - 4.5-11.5 QB ALA 78 - HB2 LYS 83 far 0 99 0 - 4.7-12.2 HG3 ARG 69 - HB3 LYS 73 far 0 84 0 - 4.9-7.7 QB ALA 78 - HB3 LYS 75 far 0 100 0 - 5.2-9.4 QB ALA 77 - HB3 LYS 75 far 0 93 0 - 5.4-7.1 HG3 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.0-9.3 HG3 LYS 73 - HB3 LYS 75 far 0 100 0 - 6.6-8.7 HB3 ARG 69 - HB3 LYS 73 far 0 91 0 - 6.6-8.6 QB ALA 20 - HB3 LYS 39 far 0 86 0 - 6.6-17.4 QB ALA 78 - HB2 LYS 85 far 0 92 0 - 6.7-17.3 HG2 LYS 75 - HB3 LYS 73 far 0 93 0 - 6.8-9.3 QB ALA 78 - HB3 LYS 73 far 0 92 0 - 7.4-9.4 QB ALA 77 - HB2 LYS 83 far 0 92 0 - 7.8-12.3 HG3 LYS 39 - HB2 LYS 13 far 0 79 0 - 8.5-33.2 HG3 ARG 69 - HB3 LYS 39 far 0 85 0 - 9.3-10.9 HG3 ARG 69 - HB3 LYS 75 far 0 95 0 - 9.5-12.9 QB ALA 77 - HB2 LYS 85 far 0 82 0 - 9.6-17.8 HB3 ARG 69 - HB3 LYS 39 far 0 92 0 - 9.8-12.1 HG2 LYS 83 - HB3 LYS 73 far 0 69 0 - 9.8-20.6 HB3 ARG 69 - HB3 LYS 75 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (1.66, 1.79, 32.59 ppm; 2.54 A): 5 out of 10 assignments used, quality = 0.95: HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 HD3 LYS 75 + HB3 LYS 75 OK 40 100 55 73 2.2-4.0 3.5=38, 3072/3.0=8...(24) HD2 LYS 13 + HB2 LYS 13 OK 39 91 65 66 2.1-4.2 3.5=38, 1050/3.0=7...(19) * HD2 LYS 75 + HB3 LYS 75 OK 22 100 30 72 2.3-4.2 3.5=38, 3072/3.0=8...(24) HD3 LYS 13 + HB2 LYS 13 OK 21 91 35 66 2.1-3.8 3.5=38, 1050/3.0=7...(19) HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 7.7-10.5 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 8.0-32.9 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.3-31.5 HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 8.5-10.7 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (1.66, 1.79, 32.59 ppm; 2.54 A): 5 out of 10 assignments used, quality = 0.95: HB3 LYS 13 + HB2 LYS 13 OK 76 76 100 100 1.8-1.8 1.8=100 * HD3 LYS 75 + HB3 LYS 75 OK 40 100 55 73 2.2-4.0 3.5=38, 3072/3.0=8...(24) HD2 LYS 13 + HB2 LYS 13 OK 39 91 65 66 2.1-4.2 3.5=38, 1050/3.0=7...(19) HD2 LYS 75 + HB3 LYS 75 OK 22 100 30 72 2.3-4.2 3.5=38, 3072/3.0=8...(24) HD3 LYS 13 + HB2 LYS 13 OK 21 91 35 66 2.1-3.8 3.5=38, 1050/3.0=7...(19) HD3 LYS 75 - HB3 LYS 73 far 0 93 0 - 7.7-10.5 HB3 LYS 13 - HB3 LYS 39 far 0 78 0 - 8.0-32.9 HD2 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.3-31.5 HD2 LYS 75 - HB3 LYS 73 far 0 93 0 - 8.5-10.7 HD3 LYS 13 - HB3 LYS 39 far 0 93 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.57 A increased from 4.30 A): 8 out of 24 assignments used, quality = 1.00: * HE2 LYS 75 + HB3 LYS 75 OK 94 100 95 99 2.2-5.4 5.0=78, 3030/1.8=26...(23) HE3 LYS 75 + HB3 LYS 75 OK 89 100 90 99 2.1-5.5 5.0=78, 3030/1.8=27...(23) HE3 LYS 73 + HB3 LYS 73 OK 88 88 100 100 2.1-4.9 4.7=93, ~3020=34...(27) HE2 LYS 73 + HB3 LYS 73 OK 85 89 95 100 2.2-4.9 4.7=93, ~3020=34...(27) HE2 LYS 39 + HB3 LYS 39 OK 80 80 100 100 2.3-4.5 4.7=93, ~1884=32...(22) HE3 LYS 13 + HB2 LYS 13 OK 79 90 90 98 2.2-5.5 5.2=67, 1064/3.0=24...(21) HE2 LYS 13 + HB2 LYS 13 OK 79 89 90 98 2.7-5.4 5.2=67, 1073/3.0=24...(21) HE3 LYS 39 + HB3 LYS 39 OK 76 76 100 100 2.5-4.5 4.7=93, ~1884=32...(22) HB3 TYR 81 - HB2 LYS 83 far 4 85 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 89 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 88 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 99 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 98 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 78 0 - 8.2-32.6 HB3 TYR 55 - HB2 LYS 13 far 0 66 0 - 8.3-27.7 HE2 LYS 75 - HB3 LYS 73 far 0 93 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 92 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 74 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 91 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 97 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 88 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 75 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 76 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 92 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (2.96, 1.79, 32.59 ppm; 4.57 A increased from 4.30 A): 8 out of 24 assignments used, quality = 1.00: HE2 LYS 75 + HB3 LYS 75 OK 94 100 95 99 2.2-5.4 5.0=78, 3030/1.8=26...(23) * HE3 LYS 75 + HB3 LYS 75 OK 89 100 90 99 2.1-5.5 5.0=78, 3030/1.8=27...(23) HE3 LYS 73 + HB3 LYS 73 OK 89 89 100 100 2.1-4.9 4.7=93, ~3020=34...(27) HE2 LYS 73 + HB3 LYS 73 OK 85 90 95 100 2.2-4.9 4.7=93, ~3020=34...(27) HE3 LYS 13 + HB2 LYS 13 OK 79 89 90 98 2.2-5.5 5.2=67, 1064/3.0=24...(21) HE2 LYS 13 + HB2 LYS 13 OK 78 89 90 98 2.7-5.4 5.2=67, 1073/3.0=24...(21) HE2 LYS 39 + HB3 LYS 39 OK 78 78 100 100 2.3-4.5 4.7=93, ~1884=32...(22) HE3 LYS 39 + HB3 LYS 39 OK 74 74 100 100 2.5-4.5 4.7=93, ~1884=32...(22) HB3 TYR 81 - HB2 LYS 83 far 4 83 5 - 4.1-10.0 HE3 LYS 32 - HB2 LYS 13 far 0 89 0 - 6.2-28.7 HE2 LYS 32 - HB2 LYS 13 far 0 89 0 - 7.6-27.9 HE2 LYS 73 - HB3 LYS 75 far 0 99 0 - 7.6-11.3 HE3 LYS 73 - HB3 LYS 75 far 0 99 0 - 7.9-11.4 HE2 LYS 39 - HB2 LYS 13 far 0 76 0 - 8.2-32.6 HB3 TYR 55 - HB2 LYS 13 far 0 68 0 - 8.3-27.7 HE2 LYS 75 - HB3 LYS 73 far 0 92 0 - 8.5-11.5 HE3 LYS 75 - HB3 LYS 73 far 0 93 0 - 8.7-11.5 HE3 LYS 39 - HB2 LYS 13 far 0 72 0 - 8.9-33.0 HE2 LYS 13 - HB3 LYS 39 far 0 91 0 - 9.2-33.4 HE3 LYS 73 - HB2 LYS 83 far 0 97 0 - 9.2-21.8 HE3 LYS 73 - HB2 LYS 85 far 0 89 0 - 9.5-27.7 HB3 TYR 81 - HB2 LYS 85 far 0 73 0 - 9.6-16.5 HB3 TYR 81 - HB3 LYS 73 far 0 74 0 - 9.8-12.0 HE3 LYS 13 - HB3 LYS 39 far 0 91 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (4.24, 1.39, 24.91 ppm; 4.06 A): 3 out of 12 assignments used, quality = 1.00: HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 * HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.2-4.2 3.8=100 HA ALA 77 - HG3 LYS 73 far 0 56 0 - 4.9-8.7 HA LYS 83 - HG2 LYS 85 far 0 59 0 - 5.9-10.4 HA ALA 77 - HG2 LYS 75 far 0 97 0 - 6.9-9.2 HA LYS 75 - HG3 LYS 73 far 0 61 0 - 7.4-9.4 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 7.5-9.9 HA LYS 39 - HG3 LYS 73 far 0 59 0 - 9.3-12.3 HA LYS 83 - HG3 LYS 73 far 0 61 0 - 9.3-19.4 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 9.5-23.3 HB THR 37 - HG3 LYS 75 far 0 81 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 3098 from cnoeabs.peaks (1.84, 1.39, 24.91 ppm; 3.71 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB2 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.3-3.0 2.9=100 HB3 ARG 71 - HG3 LYS 75 far 0 97 0 - 5.2-10.8 HB2 LYS 73 - HG3 LYS 75 far 0 83 0 - 5.7-9.5 HB2 ARG 71 - HG3 LYS 75 far 0 97 0 - 6.2-9.9 HB3 ARG 71 - HG2 LYS 75 far 0 97 0 - 6.2-11.4 HB2 LYS 73 - HG2 LYS 75 far 0 83 0 - 6.7-9.6 HB2 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.7-8.9 HB2 ARG 23 - HG3 LYS 75 far 0 100 0 - 7.4-14.4 HB2 ARG 71 - HG2 LYS 75 far 0 97 0 - 7.6-10.9 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 7.7-10.0 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 8.2-10.3 HB2 ARG 23 - HG2 LYS 75 far 0 100 0 - 8.3-16.1 HB3 ARG 23 - HG3 LYS 75 far 0 100 0 - 8.6-14.8 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 3099 from cnoeabs.peaks (1.79, 1.39, 24.91 ppm; 3.40 A): 4 out of 11 assignments used, quality = 1.00: HB3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 * HB3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB3 LYS 73 + HG3 LYS 73 OK 56 56 100 100 2.2-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.3-3.0 2.9=100 HB3 ARG 84 - HG2 LYS 85 far 0 49 0 - 3.9-8.7 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 4.5-11.5 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 5.4-13.6 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 5.8-9.2 HB3 LYS 73 - HG3 LYS 75 far 0 97 0 - 6.0-9.3 HB3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.6-8.7 HB3 LYS 73 - HG2 LYS 75 far 0 97 0 - 6.8-9.3 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.9-10.9 HD2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-11.9 HG2 ARG 23 - HG3 LYS 75 far 0 99 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 7 assignments used, quality = 1.00: * HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.9-10.9 HD2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-11.9 HG2 ARG 23 - HG3 LYS 75 far 0 99 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 75 + HG3 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 * HE2 LYS 75 + HG2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 85 100 85 100 2.3-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 52 57 90 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG3 LYS 75 far 0 98 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 98 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 61 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 45 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 87 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3105 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 75 + HG3 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 * HE3 LYS 75 + HG2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 85 100 85 100 2.3-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 52 58 90 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG3 LYS 75 far 0 99 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 61 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 44 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 45 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 85 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3107 from cnoeabs.peaks (4.24, 1.39, 24.91 ppm; 4.06 A): 3 out of 12 assignments used, quality = 1.00: * HA LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 HA LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.2-3.8 3.9=100 HA LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.2-4.2 3.8=100 HA ALA 77 - HG3 LYS 73 far 0 56 0 - 4.9-8.7 HA LYS 83 - HG2 LYS 85 far 0 59 0 - 5.9-10.4 HA ALA 77 - HG2 LYS 75 far 0 97 0 - 6.9-9.2 HA LYS 75 - HG3 LYS 73 far 0 61 0 - 7.4-9.4 HA ALA 77 - HG3 LYS 75 far 0 97 0 - 7.5-9.9 HA LYS 39 - HG3 LYS 73 far 0 59 0 - 9.3-12.3 HA LYS 83 - HG3 LYS 73 far 0 61 0 - 9.3-19.4 HA GLU 19 - HG3 LYS 75 far 0 95 0 - 9.5-23.3 HB THR 37 - HG3 LYS 75 far 0 81 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (1.84, 1.39, 24.91 ppm; 3.71 A): 3 out of 16 assignments used, quality = 1.00: HB2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 * HB2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB2 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.3-3.0 2.9=100 HB3 ARG 71 - HG3 LYS 75 far 0 97 0 - 5.2-10.8 HB2 LYS 73 - HG3 LYS 75 far 0 83 0 - 5.7-9.5 HB2 ARG 71 - HG3 LYS 75 far 0 97 0 - 6.2-9.9 HB3 ARG 71 - HG2 LYS 75 far 0 97 0 - 6.2-11.4 HB2 LYS 73 - HG2 LYS 75 far 0 83 0 - 6.7-9.6 HB2 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.7-8.9 HB2 ARG 23 - HG3 LYS 75 far 0 100 0 - 7.4-14.4 HB2 ARG 71 - HG2 LYS 75 far 0 97 0 - 7.6-10.9 HB2 ARG 71 - HG3 LYS 73 far 0 56 0 - 7.7-10.0 HB3 ARG 71 - HG3 LYS 73 far 0 56 0 - 8.2-10.3 HB2 ARG 23 - HG2 LYS 75 far 0 100 0 - 8.3-16.1 HB3 ARG 23 - HG3 LYS 75 far 0 100 0 - 8.6-14.8 HB3 ARG 23 - HG2 LYS 75 far 0 100 0 - 9.6-16.2 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (1.79, 1.39, 24.91 ppm; 3.40 A): 4 out of 11 assignments used, quality = 1.00: * HB3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.7=100 HB3 LYS 73 + HG3 LYS 73 OK 56 56 100 100 2.2-3.0 2.9=100 HB2 LYS 85 + HG2 LYS 85 OK 49 49 100 100 2.3-3.0 2.9=100 HB3 ARG 84 - HG2 LYS 85 far 0 49 0 - 3.9-8.7 HB2 LYS 83 - HG2 LYS 85 far 0 58 0 - 4.5-11.5 HB3 ARG 82 - HG2 LYS 85 far 0 40 0 - 5.4-13.6 HB2 ARG 69 - HG3 LYS 73 far 0 51 0 - 5.8-9.2 HB3 LYS 73 - HG3 LYS 75 far 0 97 0 - 6.0-9.3 HB3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.6-8.7 HB3 LYS 73 - HG2 LYS 75 far 0 97 0 - 6.8-9.3 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.9-10.9 HD2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-11.9 HG2 ARG 23 - HG3 LYS 75 far 0 99 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 3113 from cnoeabs.peaks (1.66, 1.39, 24.91 ppm; 3.27 A): 4 out of 7 assignments used, quality = 1.00: HD3 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 75 + HG2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HD3 LYS 75 + HG3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HD3 LYS 75 - HG3 LYS 73 far 0 61 0 - 6.9-10.9 HD2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-11.9 HG2 ARG 23 - HG3 LYS 75 far 0 99 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 3114 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 15 assignments used, quality = 1.00: * HE2 LYS 75 + HG3 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG3 LYS 75 OK 85 100 85 100 2.3-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 52 57 90 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG3 LYS 75 far 0 98 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 98 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 61 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 45 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 87 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3115 from cnoeabs.peaks (2.96, 1.39, 24.91 ppm; 3.80 A): 6 out of 15 assignments used, quality = 1.00: HE2 LYS 75 + HG3 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HE2 LYS 75 + HG2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HE3 LYS 75 + HG2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 * HE3 LYS 75 + HG3 LYS 75 OK 85 100 85 100 2.3-4.2 3.5=100 HE2 LYS 73 + HG3 LYS 73 OK 59 59 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 52 58 90 100 2.0-4.2 3.7=100 HE3 LYS 73 - HG3 LYS 75 far 0 99 0 - 7.9-13.5 HE2 LYS 75 - HG3 LYS 73 far 0 61 0 - 8.2-12.5 HE3 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.4-13.1 HE2 LYS 73 - HG2 LYS 75 far 0 99 0 - 8.7-13.3 HE2 LYS 73 - HG3 LYS 75 far 0 99 0 - 9.0-13.5 HE3 LYS 75 - HG3 LYS 73 far 0 61 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 44 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 45 0 - 9.5-13.8 HB3 TYR 81 - HG2 LYS 75 far 0 85 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3117 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 4.72 A increased from 3.77 A): 2 out of 13 assignments used, quality = 1.00: * HA LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.0-4.7 4.7=100 HA LYS 75 + HD3 LYS 75 OK 95 100 95 100 2.0-5.5 4.7=100 HA ALA 12 - HD3 LYS 13 poor 10 93 25 43 2.8-7.3 8/6.1=39, 3147/2.9=2, 3147/2.9=2 HA ALA 12 - HD2 LYS 13 poor 10 93 25 43 3.3-8.0 8/6.1=39, 3147/2.9=2, 3147/2.9=2 HA THR 15 - HD2 LYS 13 far 5 100 5 - 4.8-10.4 HA THR 15 - HD3 LYS 13 far 0 100 0 - 6.5-9.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 7.3-10.9 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 7.4-10.4 HA LYS 39 - HD2 LYS 13 far 0 99 0 - 7.8-33.4 HA LYS 39 - HD3 LYS 13 far 0 99 0 - 8.0-34.6 HB THR 37 - HD3 LYS 75 far 0 81 0 - 8.1-14.3 HB THR 37 - HD2 LYS 75 far 0 81 0 - 9.0-15.2 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 9.2-26.0 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.71 A increased from 3.30 A): 2 out of 15 assignments used, quality = 1.00: HB2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.8 3.5=100 * HB2 LYS 75 + HD2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 ARG 71 - HD3 LYS 75 far 0 97 0 - 4.9-10.8 HB3 ARG 71 - HD2 LYS 75 far 0 97 0 - 5.2-11.8 HB2 ARG 71 - HD3 LYS 75 far 0 97 0 - 5.3-10.2 HB2 ARG 23 - HD2 LYS 75 far 0 100 0 - 5.7-16.4 HB2 ARG 71 - HD2 LYS 75 far 0 97 0 - 5.8-11.1 HB2 ARG 23 - HD3 LYS 75 far 0 100 0 - 6.3-14.7 HB3 ARG 23 - HD2 LYS 75 far 0 100 0 - 7.0-15.6 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 7.0-10.4 HB3 ARG 23 - HD3 LYS 75 far 0 100 0 - 7.4-14.9 HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 7.9-11.0 HB2 ARG 27 - HD3 LYS 75 far 0 97 0 - 9.3-16.9 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.6-30.6 HB2 ARG 27 - HD2 LYS 75 far 0 97 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.73 A increased from 3.51 A): 4 out of 18 assignments used, quality = 1.00: HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-4.0 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-3.8 3.5=100 * HB3 LYS 75 + HD2 LYS 75 OK 95 100 95 100 2.3-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 LYS 32 - HD3 LYS 13 far 5 93 5 - 2.6-25.4 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 4.1-27.2 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 4.3-24.6 HB2 PRO 34 - HD2 LYS 13 far 0 99 0 - 5.7-24.9 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.8-26.4 HB2 PRO 34 - HD3 LYS 13 far 0 99 0 - 6.2-26.5 HB ILE 33 - HD2 LYS 13 far 0 85 0 - 6.2-25.8 HB ILE 33 - HD3 LYS 13 far 0 85 0 - 6.4-26.6 HG2 PRO 34 - HD2 LYS 13 far 0 63 0 - 6.7-26.3 HG2 PRO 34 - HD3 LYS 13 far 0 63 0 - 6.9-27.4 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 7.7-10.5 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 8.3-31.5 HB3 LYS 73 - HD2 LYS 75 far 0 97 0 - 8.5-10.7 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 78 - HD2 LYS 75 far 5 100 5 - 3.3-8.5 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 3.4-8.6 QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.7-8.5 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.0-8.8 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 6.7-33.2 HG3 LYS 73 - HD3 LYS 75 far 0 100 0 - 6.9-10.9 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 7.5-34.7 HG3 LYS 73 - HD2 LYS 75 far 0 100 0 - 8.2-11.9 QB ALA 20 - HD2 LYS 75 far 0 96 0 - 8.9-20.6 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 9.2-19.5 Violated in 0 structures by 0.00 A. Peak 3121 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 78 - HD2 LYS 75 far 5 100 5 - 3.3-8.5 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 3.4-8.6 QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.7-8.5 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.0-8.8 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 6.7-33.2 HG3 LYS 73 - HD3 LYS 75 far 0 100 0 - 6.9-10.9 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 7.5-34.7 HG3 LYS 73 - HD2 LYS 75 far 0 100 0 - 8.2-11.9 QB ALA 20 - HD2 LYS 75 far 0 96 0 - 8.9-20.6 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 9.2-19.5 Violated in 0 structures by 0.00 A. 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; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.4-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) * HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 90 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 78 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 78 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 87 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 87 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.4-3.0 2.9=81, 3153/1.8=8...(17) HE2 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) * HE3 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 89 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 81 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 81 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 85 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 85 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (4.24, 1.66, 28.78 ppm; 4.72 A increased from 3.77 A): 2 out of 13 assignments used, quality = 1.00: HA LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.0-4.7 4.7=100 * HA LYS 75 + HD3 LYS 75 OK 95 100 95 100 2.0-5.5 4.7=100 HA ALA 12 - HD3 LYS 13 poor 10 93 25 43 2.8-7.3 8/6.1=39, 3147/2.9=2, 3147/2.9=2 HA ALA 12 - HD2 LYS 13 poor 10 93 25 43 3.3-8.0 8/6.1=39, 3147/2.9=2, 3147/2.9=2 HA THR 15 - HD2 LYS 13 far 5 100 5 - 4.8-10.4 HA THR 15 - HD3 LYS 13 far 0 100 0 - 6.5-9.8 HA ALA 77 - HD2 LYS 75 far 0 97 0 - 7.3-10.9 HA ALA 77 - HD3 LYS 75 far 0 97 0 - 7.4-10.4 HA LYS 39 - HD2 LYS 13 far 0 99 0 - 7.8-33.4 HA LYS 39 - HD3 LYS 13 far 0 99 0 - 8.0-34.6 HB THR 37 - HD3 LYS 75 far 0 81 0 - 8.1-14.3 HB THR 37 - HD2 LYS 75 far 0 81 0 - 9.0-15.2 HA GLU 19 - HD2 LYS 75 far 0 95 0 - 9.2-26.0 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (1.84, 1.66, 28.78 ppm; 3.71 A increased from 3.30 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.8 3.5=100 HB2 LYS 75 + HD2 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 ARG 71 - HD3 LYS 75 far 0 97 0 - 4.9-10.8 HB3 ARG 71 - HD2 LYS 75 far 0 97 0 - 5.2-11.8 HB2 ARG 71 - HD3 LYS 75 far 0 97 0 - 5.3-10.2 HB2 ARG 23 - HD2 LYS 75 far 0 100 0 - 5.7-16.4 HB2 ARG 71 - HD2 LYS 75 far 0 97 0 - 5.8-11.1 HB2 ARG 23 - HD3 LYS 75 far 0 100 0 - 6.3-14.7 HB3 ARG 23 - HD2 LYS 75 far 0 100 0 - 7.0-15.6 HB2 LYS 73 - HD3 LYS 75 far 0 83 0 - 7.0-10.4 HB3 ARG 23 - HD3 LYS 75 far 0 100 0 - 7.4-14.9 HB2 LYS 73 - HD2 LYS 75 far 0 83 0 - 7.9-11.0 HB2 ARG 27 - HD3 LYS 75 far 0 97 0 - 9.3-16.9 HB2 LYS 39 - HD2 LYS 13 far 0 96 0 - 9.6-30.6 HB2 ARG 27 - HD2 LYS 75 far 0 97 0 - 9.7-18.3 Violated in 0 structures by 0.00 A. Peak 3129 from cnoeabs.peaks (1.79, 1.66, 28.78 ppm; 3.73 A increased from 3.51 A): 4 out of 18 assignments used, quality = 1.00: * HB3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.2-4.0 3.5=100 HB2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.1-3.8 3.5=100 HB3 LYS 75 + HD2 LYS 75 OK 95 100 95 100 2.3-4.2 3.5=100 HB2 LYS 13 + HD2 LYS 13 OK 90 100 90 100 2.1-4.2 3.5=100 HB3 LYS 32 - HD3 LYS 13 far 5 93 5 - 2.6-25.4 HB2 LYS 32 - HD3 LYS 13 far 0 93 0 - 4.1-27.2 HB3 LYS 32 - HD2 LYS 13 far 0 93 0 - 4.3-24.6 HB2 PRO 34 - HD2 LYS 13 far 0 99 0 - 5.7-24.9 HB2 LYS 32 - HD2 LYS 13 far 0 93 0 - 5.8-26.4 HB2 PRO 34 - HD3 LYS 13 far 0 99 0 - 6.2-26.5 HB ILE 33 - HD2 LYS 13 far 0 85 0 - 6.2-25.8 HB ILE 33 - HD3 LYS 13 far 0 85 0 - 6.4-26.6 HG2 PRO 34 - HD2 LYS 13 far 0 63 0 - 6.7-26.3 HG2 PRO 34 - HD3 LYS 13 far 0 63 0 - 6.9-27.4 HB3 LYS 73 - HD3 LYS 75 far 0 97 0 - 7.7-10.5 HB3 LYS 39 - HD2 LYS 13 far 0 100 0 - 8.3-31.5 HB3 LYS 73 - HD2 LYS 75 far 0 97 0 - 8.5-10.7 HB3 LYS 39 - HD3 LYS 13 far 0 100 0 - 8.9-33.1 Violated in 0 structures by 0.00 A. Peak 3130 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 78 - HD2 LYS 75 far 5 100 5 - 3.3-8.5 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 3.4-8.6 QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.7-8.5 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.0-8.8 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 6.7-33.2 HG3 LYS 73 - HD3 LYS 75 far 0 100 0 - 6.9-10.9 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 7.5-34.7 HG3 LYS 73 - HD2 LYS 75 far 0 100 0 - 8.2-11.9 QB ALA 20 - HD2 LYS 75 far 0 96 0 - 8.9-20.6 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 9.2-19.5 Violated in 0 structures by 0.00 A. Peak 3131 from cnoeabs.peaks (1.39, 1.66, 28.78 ppm; 3.58 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 75 + HD2 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 75 + HD3 LYS 75 OK 100 100 100 100 2.3-3.0 2.9=100 QB ALA 78 - HD2 LYS 75 far 5 100 5 - 3.3-8.5 QB ALA 78 - HD3 LYS 75 far 5 100 5 - 3.4-8.6 QB ALA 77 - HD3 LYS 75 far 0 93 0 - 5.7-8.5 QB ALA 77 - HD2 LYS 75 far 0 93 0 - 6.0-8.8 HG3 LYS 39 - HD2 LYS 13 far 0 92 0 - 6.7-33.2 HG3 LYS 73 - HD3 LYS 75 far 0 100 0 - 6.9-10.9 HG3 LYS 39 - HD3 LYS 13 far 0 92 0 - 7.5-34.7 HG3 LYS 73 - HD2 LYS 75 far 0 100 0 - 8.2-11.9 QB ALA 20 - HD2 LYS 75 far 0 96 0 - 8.9-20.6 QB ALA 20 - HD3 LYS 75 far 0 96 0 - 9.2-19.5 Violated in 0 structures by 0.00 A. 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; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 95 100 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 95 100 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) HE3 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.4-3.0 2.9=81, 3152/1.8=8...(17) * HE2 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 90 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 87 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 90 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 78 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 78 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 87 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 87 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 87 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 98 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3135 from cnoeabs.peaks (2.96, 1.66, 28.78 ppm; 2.74 A): 8 out of 22 assignments used, quality = 1.00: HE3 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1064/2.9=9...(27) HE3 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.3-3.0 2.9=81, 1064/2.9=9...(27) HE2 LYS 13 + HD3 LYS 13 OK 94 99 100 95 2.2-3.0 2.9=81, 1073/2.9=9...(27) HE2 LYS 13 + HD2 LYS 13 OK 94 99 100 95 2.4-3.0 2.9=81, 1073/2.9=9...(27) * HE3 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.4-3.0 2.9=81, 3153/1.8=8...(17) HE2 LYS 75 + HD3 LYS 75 OK 92 100 100 92 2.3-3.0 2.9=81, 3152/1.8=8...(17) HE2 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.4-3.0 2.9=81, 1.8/3152=8...(16) HE3 LYS 75 + HD2 LYS 75 OK 91 100 100 91 2.2-3.0 2.9=81, 1.8/3152=8...(16) HE2 LYS 32 - HD3 LYS 13 far 0 99 0 - 5.0-27.9 HE2 LYS 39 - HD2 LYS 13 far 0 89 0 - 6.2-32.7 HE3 LYS 32 - HD3 LYS 13 far 0 99 0 - 6.5-28.4 HE2 LYS 32 - HD2 LYS 13 far 0 99 0 - 6.6-27.2 HE3 LYS 39 - HD2 LYS 13 far 0 85 0 - 7.2-33.5 HE2 LYS 39 - HD3 LYS 13 far 0 89 0 - 7.4-34.3 HB3 TYR 55 - HD3 LYS 13 far 0 81 0 - 8.0-28.5 HE3 LYS 32 - HD2 LYS 13 far 0 99 0 - 8.1-27.3 HB3 TYR 55 - HD2 LYS 13 far 0 81 0 - 8.3-27.3 HE3 LYS 39 - HD3 LYS 13 far 0 85 0 - 8.5-35.2 HB3 TYR 81 - HD2 LYS 75 far 0 85 0 - 8.7-13.9 HB3 TYR 81 - HD3 LYS 75 far 0 85 0 - 9.0-13.8 HE2 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-13.3 HE3 LYS 73 - HD3 LYS 75 far 0 99 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3137 from cnoeabs.peaks (4.24, 2.96, 41.78 ppm; 5.32 A increased from 4.48 A): 4 out of 31 assignments used, quality = 1.00: * HA LYS 75 + HE2 LYS 75 OK 90 100 90 100 2.5-6.0 6.4=57, 3071/3.5=53...(41) HA LYS 39 + HE3 LYS 39 OK 76 85 90 100 3.9-5.8 1837/3.6=89, 1836/3.6=83...(34) HA LYS 75 + HE3 LYS 75 OK 65 100 65 100 3.7-6.0 6.4=57, 3071/3.5=53...(47) HA LYS 39 + HE2 LYS 39 OK 53 89 60 100 3.9-6.1 1837/3.6=89, 1836/3.6=83...(35) HA ALA 77 - HE2 LYS 73 far 14 94 15 - 4.3-9.4 HA ALA 77 - HE3 LYS 73 far 14 93 15 - 4.3-9.3 HA ALA 12 - HE3 LYS 13 poor 13 89 30 48 3.1-8.2 8/6.7=43, 3127/2.9=4, 3127/2.9=4 HA ALA 12 - HE2 LYS 13 poor 11 88 25 48 3.3-8.3 8/6.7=43, 3127/2.9=4, 3127/2.9=4 HA THR 15 - HE2 LYS 13 far 10 97 10 - 4.7-10.4 HA THR 15 - HE3 LYS 13 far 5 98 5 - 5.2-10.8 HA ALA 12 - HE3 LYS 32 far 0 91 0 - 6.7-33.8 HA THR 15 - HE2 LYS 32 far 0 99 0 - 6.7-28.6 HA THR 15 - HE3 LYS 32 far 0 99 0 - 7.2-29.8 HB THR 37 - HE2 LYS 75 far 0 81 0 - 7.3-14.9 HA LYS 75 - HE2 LYS 73 far 0 99 0 - 7.6-11.8 HB THR 37 - HE3 LYS 75 far 0 81 0 - 8.0-16.1 HA ALA 12 - HE2 LYS 32 far 0 90 0 - 8.0-33.1 HA LYS 83 - HE3 LYS 73 far 0 98 0 - 8.1-20.7 HA LYS 39 - HE2 LYS 13 far 0 96 0 - 8.1-35.6 HA LYS 75 - HE3 LYS 73 far 0 98 0 - 8.4-11.9 HA GLU 19 - HE2 LYS 75 far 0 95 0 - 8.5-24.7 HB THR 37 - HE2 LYS 39 far 0 67 0 - 8.7-11.6 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 8.9-11.7 HA LYS 85 - HE3 LYS 73 far 0 88 0 - 9.1-26.1 HA GLU 19 - HE3 LYS 75 far 0 94 0 - 9.1-25.8 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 9.1-12.0 HA THR 15 - HE3 LYS 39 far 0 87 0 - 9.2-29.6 HA LYS 83 - HE2 LYS 73 far 0 99 0 - 9.3-20.1 HA LYS 39 - HE3 LYS 13 far 0 96 0 - 9.7-36.1 HA LYS 39 - HE2 LYS 73 far 0 97 0 - 9.7-13.7 HA LYS 85 - HE2 LYS 73 far 0 89 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3138 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 4.75 A increased from 3.80 A): 6 out of 26 assignments used, quality = 1.00: * HB2 LYS 75 + HE2 LYS 75 OK 100 100 100 100 2.0-4.8 5.0=88, 803/6.7=33...(28) HB2 LYS 75 + HE3 LYS 75 OK 95 100 95 100 2.3-5.4 5.0=88, 803/6.7=33...(28) HB2 LYS 39 + HE2 LYS 39 OK 83 83 100 100 2.7-4.8 4.7=100 HB2 LYS 73 + HE2 LYS 73 OK 75 79 95 100 2.2-5.4 4.7=100 HB2 LYS 39 + HE3 LYS 39 OK 75 79 95 100 3.8-5.4 4.7=100 HB2 LYS 73 + HE3 LYS 73 OK 71 78 90 100 2.1-5.5 4.7=100 HB3 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.1-13.1 HB3 ARG 71 - HE3 LYS 75 far 0 97 0 - 5.5-13.4 HB2 ARG 71 - HE2 LYS 75 far 0 97 0 - 6.3-11.6 HB2 ARG 23 - HE3 LYS 75 far 0 100 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 100 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-11.5 HB2 LYS 75 - HE3 LYS 73 far 0 98 0 - 7.0-11.4 HB2 ARG 71 - HE3 LYS 75 far 0 97 0 - 7.2-11.9 HB3 ARG 23 - HE3 LYS 75 far 0 100 0 - 7.7-15.5 HB2 ARG 71 - HE3 LYS 73 far 0 94 0 - 7.8-12.3 HB3 ARG 23 - HE2 LYS 75 far 0 100 0 - 8.0-15.2 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 8.1-11.6 HB3 ARG 71 - HE3 LYS 73 far 0 93 0 - 8.4-12.6 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 8.5-12.1 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 8.7-12.3 HB3 ARG 71 - HE2 LYS 73 far 0 94 0 - 8.7-12.6 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.7-26.9 HB2 ARG 27 - HE2 LYS 75 far 0 97 0 - 9.3-18.2 HB2 ARG 27 - HE3 LYS 75 far 0 97 0 - 9.6-19.0 HB2 ARG 17 - HE2 LYS 32 far 0 98 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 10 out of 52 assignments used, quality = 0.97: HB3 LYS 73 + HE2 LYS 73 OK 38 95 45 89 2.2-4.9 4.7=41, ~3020=19...(24) HB2 LYS 32 + HE3 LYS 32 OK 36 91 40 98 2.6-5.1 4.6=44, 2.9/1638=24...(43) HB3 LYS 32 + HE2 LYS 32 OK 35 90 40 98 3.3-5.1 4.6=44, 2.9/1638=26...(43) HB3 LYS 73 + HE3 LYS 73 OK 33 94 40 89 2.1-4.9 4.7=41, ~3020=19...(24) HB3 LYS 32 + HE3 LYS 32 OK 31 91 35 98 2.3-5.1 4.6=44, 2.9/1638=24...(43) * HB3 LYS 75 + HE2 LYS 75 OK 30 100 35 87 2.2-5.4 5.0=34, 3093/2.9=14...(22) HB2 LYS 13 + HE2 LYS 13 OK 25 97 30 87 2.7-5.4 5.2=29, 3.0/1073=15...(21) HB3 LYS 39 + HE3 LYS 39 OK 23 86 30 91 2.5-4.5 4.7=41, ~1884=18...(22) HB2 LYS 32 + HE2 LYS 32 OK 22 90 25 98 2.0-4.8 4.6=44, 2.9/1638=26...(43) HB3 LYS 39 + HE2 LYS 39 OK 20 89 25 91 2.3-4.5 4.7=41, ~1884=18...(22) HB2 LYS 13 - HE3 LYS 13 poor 20 98 20 - 2.2-5.5 HB3 LYS 75 - HE3 LYS 75 far 15 100 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 4 89 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 88 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 89 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 89 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 88 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 80 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 62 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 88 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 51 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 65 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 87 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 79 0 - 7.0-26.7 HG2 PRO 34 - HE3 LYS 39 far 0 48 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 95 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 99 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 71 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 58 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 83 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 98 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 82 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 95 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 90 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 60 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 81 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 97 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 58 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 96 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 96 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 97 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 68 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 88 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 77 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 75 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 97 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.70 A increased from 3.11 A): 8 out of 38 assignments used, quality = 1.00: HG3 LYS 73 + HE2 LYS 73 OK 98 99 100 100 2.3-3.9 3.7=100 HG3 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 * HG2 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HG2 LYS 75 + HE3 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HG3 LYS 73 + HE3 LYS 73 OK 88 98 90 100 2.0-4.2 3.7=100 HG3 LYS 75 + HE3 LYS 75 OK 80 100 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 75 75 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 75 78 95 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 9 89 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 91 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 90 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 91 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 5.2-11.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 76 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 87 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 77 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 98 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 100 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 98 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 98 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 100 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3141 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.70 A increased from 3.11 A): 8 out of 38 assignments used, quality = 1.00: HG3 LYS 73 + HE2 LYS 73 OK 98 99 100 100 2.3-3.9 3.7=100 * HG3 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HG2 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HG2 LYS 75 + HE3 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HG3 LYS 73 + HE3 LYS 73 OK 88 98 90 100 2.0-4.2 3.7=100 HG3 LYS 75 + HE3 LYS 75 OK 80 100 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 75 75 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 75 78 95 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 9 89 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 91 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 90 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 91 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 97 0 - 5.2-11.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 76 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 87 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 77 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 98 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 100 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 98 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 98 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 83 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 100 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 79 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 86 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 86 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 89 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 78 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3142 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 91 97 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) * HD2 LYS 75 + HE2 LYS 75 OK 89 100 100 89 2.4-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 89 100 100 89 2.2-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 13 + HE3 LYS 13 OK 87 98 95 93 2.3-3.0 2.9=79, 2.9/1037=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 86 97 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 85 100 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HD3 LYS 13 + HE3 LYS 13 OK 82 98 90 93 2.4-3.0 2.9=79, 2.9/1037=9...(25) HB3 LYS 13 - HE2 LYS 13 poor 17 83 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 8 84 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 90 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 99 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 93 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 99 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 75 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 97 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 91 97 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 89 100 100 89 2.4-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 89 100 100 89 2.2-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 13 + HE3 LYS 13 OK 87 98 95 93 2.3-3.0 2.9=79, 2.9/1037=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 86 97 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) * HD3 LYS 75 + HE2 LYS 75 OK 85 100 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 85 100 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HD3 LYS 13 + HE3 LYS 13 OK 82 98 90 93 2.4-3.0 2.9=79, 2.9/1037=9...(25) HB3 LYS 13 - HE2 LYS 13 poor 17 83 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 8 84 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 90 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 86 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 98 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 87 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 85 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 90 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 99 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 93 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 99 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 95 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 87 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 75 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 97 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 98 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. 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; 5.32 A increased from 4.48 A): 4 out of 31 assignments used, quality = 1.00: HA LYS 75 + HE2 LYS 75 OK 90 100 90 100 2.5-6.0 6.4=57, 3071/3.5=53...(41) HA LYS 39 + HE3 LYS 39 OK 75 83 90 100 3.9-5.8 1837/3.6=89, 1836/3.6=83...(34) * HA LYS 75 + HE3 LYS 75 OK 65 100 65 100 3.7-6.0 6.4=57, 3071/3.5=53...(47) HA LYS 39 + HE2 LYS 39 OK 52 87 60 100 3.9-6.1 1837/3.6=89, 1836/3.6=83...(35) HA ALA 77 - HE2 LYS 73 far 14 94 15 - 4.3-9.4 HA ALA 77 - HE3 LYS 73 far 14 94 15 - 4.3-9.3 HA ALA 12 - HE3 LYS 13 poor 13 88 30 48 3.1-8.2 8/6.7=43, 3127/2.9=4, 3127/2.9=4 HA ALA 12 - HE2 LYS 13 poor 11 87 25 48 3.3-8.3 8/6.7=43, 3127/2.9=4, 3127/2.9=4 HA THR 15 - HE2 LYS 13 far 10 97 10 - 4.7-10.4 HA THR 15 - HE3 LYS 13 far 5 97 5 - 5.2-10.8 HA ALA 12 - HE3 LYS 32 far 0 92 0 - 6.7-33.8 HA THR 15 - HE2 LYS 32 far 0 99 0 - 6.7-28.6 HA THR 15 - HE3 LYS 32 far 0 99 0 - 7.2-29.8 HB THR 37 - HE2 LYS 75 far 0 81 0 - 7.3-14.9 HA LYS 75 - HE2 LYS 73 far 0 99 0 - 7.6-11.8 HB THR 37 - HE3 LYS 75 far 0 81 0 - 8.0-16.1 HA ALA 12 - HE2 LYS 32 far 0 91 0 - 8.0-33.1 HA LYS 83 - HE3 LYS 73 far 0 99 0 - 8.1-20.7 HA LYS 39 - HE2 LYS 13 far 0 95 0 - 8.1-35.6 HA LYS 75 - HE3 LYS 73 far 0 99 0 - 8.4-11.9 HA GLU 19 - HE2 LYS 75 far 0 94 0 - 8.5-24.7 HB THR 37 - HE2 LYS 39 far 0 65 0 - 8.7-11.6 HA ALA 77 - HE2 LYS 75 far 0 97 0 - 8.9-11.7 HA LYS 85 - HE3 LYS 73 far 0 89 0 - 9.1-26.1 HA GLU 19 - HE3 LYS 75 far 0 95 0 - 9.1-25.8 HA ALA 77 - HE3 LYS 75 far 0 97 0 - 9.1-12.0 HA THR 15 - HE3 LYS 39 far 0 85 0 - 9.2-29.6 HA LYS 83 - HE2 LYS 73 far 0 99 0 - 9.3-20.1 HA LYS 39 - HE3 LYS 13 far 0 96 0 - 9.7-36.1 HA LYS 39 - HE2 LYS 73 far 0 98 0 - 9.7-13.7 HA LYS 85 - HE2 LYS 73 far 0 89 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (1.84, 2.96, 41.78 ppm; 4.75 A increased from 3.80 A): 6 out of 26 assignments used, quality = 1.00: HB2 LYS 75 + HE2 LYS 75 OK 100 100 100 100 2.0-4.8 5.0=88, 803/6.7=33...(28) * HB2 LYS 75 + HE3 LYS 75 OK 95 100 95 100 2.3-5.4 5.0=88, 803/6.7=33...(27) HB2 LYS 39 + HE2 LYS 39 OK 81 81 100 100 2.7-4.8 4.7=100 HB2 LYS 73 + HE2 LYS 73 OK 76 80 95 100 2.2-5.4 4.7=100 HB2 LYS 39 + HE3 LYS 39 OK 73 77 95 100 3.8-5.4 4.7=100 HB2 LYS 73 + HE3 LYS 73 OK 71 79 90 100 2.1-5.5 4.7=100 HB3 ARG 71 - HE2 LYS 75 far 0 97 0 - 5.1-13.1 HB3 ARG 71 - HE3 LYS 75 far 0 97 0 - 5.5-13.4 HB2 ARG 71 - HE2 LYS 75 far 0 97 0 - 6.3-11.6 HB2 ARG 23 - HE3 LYS 75 far 0 100 0 - 6.5-16.2 HB2 ARG 23 - HE2 LYS 75 far 0 100 0 - 6.6-15.8 HB2 LYS 75 - HE2 LYS 73 far 0 99 0 - 6.8-11.5 HB2 LYS 75 - HE3 LYS 73 far 0 99 0 - 7.0-11.4 HB2 ARG 71 - HE3 LYS 75 far 0 97 0 - 7.2-11.9 HB3 ARG 23 - HE3 LYS 75 far 0 100 0 - 7.7-15.5 HB2 ARG 71 - HE3 LYS 73 far 0 95 0 - 7.8-12.3 HB3 ARG 23 - HE2 LYS 75 far 0 100 0 - 8.0-15.2 HB2 LYS 73 - HE2 LYS 75 far 0 83 0 - 8.1-11.6 HB3 ARG 71 - HE3 LYS 73 far 0 94 0 - 8.4-12.6 HB2 LYS 73 - HE3 LYS 75 far 0 83 0 - 8.5-12.1 HB2 ARG 71 - HE2 LYS 73 far 0 95 0 - 8.7-12.3 HB3 ARG 71 - HE2 LYS 73 far 0 94 0 - 8.7-12.6 HB2 ARG 17 - HE3 LYS 32 far 0 99 0 - 8.7-26.9 HB2 ARG 27 - HE2 LYS 75 far 0 97 0 - 9.3-18.2 HB2 ARG 27 - HE3 LYS 75 far 0 97 0 - 9.6-19.0 HB2 ARG 17 - HE2 LYS 32 far 0 99 0 - 9.8-25.6 Violated in 0 structures by 0.00 A. Peak 3149 from cnoeabs.peaks (1.79, 2.96, 41.78 ppm; 3.47 A): 9 out of 52 assignments used, quality = 0.96: HB3 LYS 73 + HE2 LYS 73 OK 38 95 45 89 2.2-4.9 4.7=41, ~3020=19...(24) HB2 LYS 32 + HE3 LYS 32 OK 36 92 40 98 2.6-5.1 4.6=44, 2.9/1638=25...(43) HB3 LYS 32 + HE2 LYS 32 OK 36 91 40 98 3.3-5.1 4.6=44, 2.9/1638=26...(43) HB3 LYS 73 + HE3 LYS 73 OK 34 95 40 89 2.1-4.9 4.7=41, ~3020=19...(24) HB3 LYS 32 + HE3 LYS 32 OK 31 92 35 98 2.3-5.1 4.6=44, 2.9/1638=25...(43) HB3 LYS 75 + HE2 LYS 75 OK 30 100 35 87 2.2-5.4 5.0=34, 3093/2.9=14...(22) HB2 LYS 13 + HE2 LYS 13 OK 25 97 30 87 2.7-5.4 5.2=29, 1006/2.9=14...(21) HB3 LYS 39 + HE3 LYS 39 OK 23 84 30 91 2.5-4.5 4.7=41, ~1884=18...(22) HB2 LYS 32 + HE2 LYS 32 OK 22 91 25 98 2.0-4.8 4.6=44, 2.9/1638=26...(43) HB3 LYS 39 - HE2 LYS 39 poor 20 87 25 91 2.3-4.5 4.7=41, ~1884=18...(22) HB2 LYS 13 - HE3 LYS 13 poor 19 97 20 - 2.2-5.5 ! HB3 LYS 75 - HE3 LYS 75 far 15 100 15 - 2.1-5.5 HB3 LYS 32 - HE3 LYS 13 far 4 88 5 - 3.4-25.3 HB3 LYS 32 - HE2 LYS 13 far 0 87 0 - 4.0-23.8 HB2 LYS 32 - HE3 LYS 13 far 0 88 0 - 4.8-26.4 HB2 ARG 69 - HE2 LYS 73 far 0 89 0 - 5.1-10.8 HB2 LYS 32 - HE2 LYS 13 far 0 87 0 - 5.5-25.6 HB ILE 33 - HE3 LYS 13 far 0 79 0 - 5.5-26.9 HB2 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.2-28.7 HB2 ARG 54 - HE3 LYS 39 far 0 60 0 - 6.3-11.1 HB2 ARG 69 - HE3 LYS 73 far 0 89 0 - 6.4-11.0 HG2 PRO 34 - HE2 LYS 39 far 0 50 0 - 6.7-11.7 HB2 ARG 54 - HE2 LYS 39 far 0 63 0 - 6.8-10.6 HB2 PRO 34 - HE2 LYS 39 far 0 85 0 - 6.8-11.8 HB ILE 33 - HE2 LYS 13 far 0 79 0 - 7.0-26.7 HG2 PRO 34 - HE3 LYS 39 far 0 47 0 - 7.3-12.3 HB2 PRO 34 - HE3 LYS 13 far 0 95 0 - 7.5-27.1 HB2 LYS 13 - HE2 LYS 32 far 0 99 0 - 7.6-27.9 HB3 LYS 75 - HE2 LYS 73 far 0 99 0 - 7.6-11.3 HB ILE 33 - HE2 LYS 39 far 0 70 0 - 7.9-11.6 HG2 PRO 34 - HE3 LYS 13 far 0 58 0 - 7.9-26.9 HB2 PRO 34 - HE3 LYS 39 far 0 81 0 - 7.9-11.8 HB3 LYS 75 - HE3 LYS 73 far 0 99 0 - 7.9-11.4 HB ILE 33 - HE3 LYS 32 far 0 83 0 - 8.0-10.9 HB2 PRO 34 - HE2 LYS 13 far 0 94 0 - 8.0-26.0 HB2 PRO 34 - HE3 LYS 32 far 0 97 0 - 8.1-12.7 HB2 LYS 13 - HE2 LYS 39 far 0 88 0 - 8.2-32.6 HG2 PRO 34 - HE3 LYS 32 far 0 61 0 - 8.2-12.4 HB ILE 33 - HE2 LYS 32 far 0 82 0 - 8.3-11.1 HB3 LYS 73 - HE2 LYS 75 far 0 97 0 - 8.5-11.5 HB3 LYS 73 - HE3 LYS 75 far 0 97 0 - 8.7-11.5 HG2 PRO 34 - HE2 LYS 13 far 0 57 0 - 8.9-25.7 HB2 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.9-33.0 HB2 PRO 34 - HE2 LYS 32 far 0 97 0 - 8.9-12.8 HB3 LYS 39 - HE2 LYS 13 far 0 96 0 - 9.2-33.4 HB2 LYS 83 - HE3 LYS 73 far 0 97 0 - 9.2-21.8 HB ILE 33 - HE3 LYS 39 far 0 66 0 - 9.4-11.5 HG2 PRO 34 - HE2 LYS 32 far 0 60 0 - 9.4-12.6 HB2 LYS 85 - HE3 LYS 73 far 0 89 0 - 9.5-27.7 HB2 LEU 57 - HE2 LYS 32 far 0 78 0 - 9.6-14.0 HB2 LEU 57 - HE2 LYS 13 far 0 74 0 - 9.9-31.6 HB3 LYS 39 - HE3 LYS 13 far 0 96 0 - 10.0-34.0 Violated in 0 structures by 0.00 A. Peak 3150 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.70 A increased from 3.11 A): 8 out of 38 assignments used, quality = 1.00: HG3 LYS 73 + HE2 LYS 73 OK 99 99 100 100 2.3-3.9 3.7=100 HG3 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HG2 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 * HG2 LYS 75 + HE3 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HG3 LYS 73 + HE3 LYS 73 OK 88 99 90 100 2.0-4.2 3.7=100 HG3 LYS 75 + HE3 LYS 75 OK 80 100 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 73 73 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 73 77 95 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 9 90 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 92 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 91 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 91 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 5.2-11.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 77 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 86 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 78 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 99 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 100 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 99 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 99 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 100 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (1.39, 2.96, 41.78 ppm; 3.70 A increased from 3.11 A): 8 out of 38 assignments used, quality = 1.00: HG3 LYS 73 + HE2 LYS 73 OK 99 99 100 100 2.3-3.9 3.7=100 HG3 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.0-4.2 3.5=100 HG2 LYS 75 + HE2 LYS 75 OK 95 100 95 100 2.1-4.2 3.5=100 HG2 LYS 75 + HE3 LYS 75 OK 90 100 90 100 2.1-4.2 3.5=100 HG3 LYS 73 + HE3 LYS 73 OK 88 99 90 100 2.0-4.2 3.7=100 * HG3 LYS 75 + HE3 LYS 75 OK 80 100 80 100 2.3-4.2 3.5=100 HG3 LYS 39 + HE3 LYS 39 OK 73 73 100 100 2.1-3.9 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 73 77 95 100 2.0-4.0 3.6=100 QB ALA 77 - HE3 LYS 73 far 9 90 10 - 3.7-7.5 HG3 ARG 69 - HE2 LYS 73 far 0 92 0 - 4.1-8.4 QB ALA 77 - HE2 LYS 73 far 0 91 0 - 4.2-8.3 HG3 ARG 69 - HE3 LYS 73 far 0 91 0 - 4.6-9.1 QB ALA 78 - HE3 LYS 75 far 0 100 0 - 4.7-9.8 QB ALA 78 - HE2 LYS 75 far 0 100 0 - 4.8-9.4 HB3 ARG 69 - HE2 LYS 73 far 0 98 0 - 4.8-10.6 HB3 ARG 69 - HE3 LYS 73 far 0 98 0 - 5.2-11.2 QB ALA 77 - HE2 LYS 75 far 0 93 0 - 6.5-9.3 HG2 LYS 83 - HE3 LYS 73 far 0 77 0 - 6.8-22.2 HG3 LYS 39 - HE2 LYS 13 far 0 86 0 - 7.2-35.0 QB ALA 20 - HE3 LYS 75 far 0 96 0 - 7.2-20.2 QB ALA 77 - HE3 LYS 75 far 0 93 0 - 7.5-9.5 QB ALA 78 - HE2 LYS 73 far 0 99 0 - 7.8-12.0 HG2 LYS 83 - HE2 LYS 73 far 0 78 0 - 7.8-23.0 HG3 LYS 75 - HE3 LYS 73 far 0 99 0 - 7.9-13.5 QB ALA 20 - HE2 LYS 75 far 0 96 0 - 8.1-19.5 HG3 LYS 73 - HE2 LYS 75 far 0 100 0 - 8.2-12.5 HG2 LYS 75 - HE3 LYS 73 far 0 99 0 - 8.4-13.1 QB ALA 78 - HE3 LYS 73 far 0 99 0 - 8.5-11.9 HG2 LYS 75 - HE2 LYS 73 far 0 99 0 - 8.7-13.3 HG3 LYS 39 - HE3 LYS 13 far 0 87 0 - 8.8-35.6 HG3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.0-13.5 QB ALA 20 - HE2 LYS 39 far 0 81 0 - 9.0-20.0 HG3 LYS 73 - HE3 LYS 75 far 0 100 0 - 9.1-13.0 QB ALA 20 - HE3 LYS 39 far 0 77 0 - 9.2-19.8 HB3 ARG 69 - HE3 LYS 39 far 0 84 0 - 9.4-15.4 QB ALA 53 - HE3 LYS 39 far 0 84 0 - 9.5-13.7 HB3 ARG 69 - HE2 LYS 39 far 0 87 0 - 9.6-14.7 HG3 ARG 69 - HE3 LYS 39 far 0 76 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 90 97 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 89 100 100 89 2.4-3.0 2.9=79, 1.8/3125=8...(14) * HD2 LYS 75 + HE3 LYS 75 OK 89 100 100 89 2.2-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 13 + HE3 LYS 13 OK 86 97 95 93 2.3-3.0 2.9=79, 2.9/1037=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 86 97 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) HD3 LYS 75 + HE3 LYS 75 OK 85 100 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HD3 LYS 13 + HE3 LYS 13 OK 82 97 90 93 2.4-3.0 2.9=79, 2.9/1037=9...(25) HB3 LYS 13 - HE2 LYS 13 poor 16 82 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 8 83 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 89 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 99 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 92 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 99 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 73 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 96 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (1.66, 2.96, 41.78 ppm; 2.72 A increased from 2.56 A): 8 out of 32 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 90 97 100 93 2.4-3.0 2.9=79, 2.9/1073=9...(25) HD2 LYS 75 + HE2 LYS 75 OK 89 100 100 89 2.4-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 75 + HE3 LYS 75 OK 89 100 100 89 2.2-3.0 2.9=79, 1.8/3125=8...(14) HD2 LYS 13 + HE3 LYS 13 OK 86 97 95 93 2.3-3.0 2.9=79, 2.9/1037=9...(25) HD3 LYS 13 + HE2 LYS 13 OK 86 97 95 93 2.2-3.0 2.9=79, 2.9/1073=9...(25) HD3 LYS 75 + HE2 LYS 75 OK 85 100 95 89 2.3-3.0 2.9=79, 3135/1.8=8...(15) * HD3 LYS 75 + HE3 LYS 75 OK 85 100 95 89 2.4-3.0 2.9=79, 3125/1.8=8...(15) HD3 LYS 13 + HE3 LYS 13 OK 82 97 90 93 2.4-3.0 2.9=79, 2.9/1037=9...(25) HB3 LYS 13 - HE2 LYS 13 poor 16 82 20 - 2.1-5.5 HB3 LYS 13 - HE3 LYS 13 far 8 83 10 - 2.6-5.1 HD3 LYS 13 - HE2 LYS 32 far 0 99 0 - 5.0-27.9 HB3 GLN 61 - HE2 LYS 32 far 0 98 0 - 5.9-11.1 HD2 LYS 13 - HE2 LYS 39 far 0 89 0 - 6.2-32.7 HB3 LYS 13 - HE3 LYS 32 far 0 87 0 - 6.3-30.2 HD3 LYS 13 - HE3 LYS 32 far 0 99 0 - 6.5-28.4 HD2 LYS 13 - HE2 LYS 32 far 0 99 0 - 6.6-27.2 HG LEU 29 - HE3 LYS 13 far 0 93 0 - 7.1-25.4 HB3 GLN 61 - HE3 LYS 32 far 0 99 0 - 7.2-11.2 HD2 LYS 13 - HE3 LYS 39 far 0 85 0 - 7.2-33.5 HB3 LYS 13 - HE2 LYS 32 far 0 86 0 - 7.3-29.4 HD3 LYS 13 - HE2 LYS 39 far 0 89 0 - 7.4-34.3 HG2 ARG 23 - HE3 LYS 75 far 0 99 0 - 7.5-17.6 HG LEU 29 - HE2 LYS 13 far 0 92 0 - 8.0-25.5 HG2 ARG 23 - HE2 LYS 75 far 0 99 0 - 8.1-17.3 HD2 LYS 13 - HE3 LYS 32 far 0 99 0 - 8.1-27.3 HG LEU 29 - HE3 LYS 32 far 0 96 0 - 8.1-11.0 HG LEU 29 - HE2 LYS 32 far 0 95 0 - 8.3-11.2 HD3 LYS 13 - HE3 LYS 39 far 0 85 0 - 8.5-35.2 HB3 LYS 13 - HE2 LYS 39 far 0 73 0 - 8.6-34.1 HB3 GLN 61 - HE3 LYS 13 far 0 96 0 - 9.4-30.9 HD3 LYS 75 - HE2 LYS 73 far 0 99 0 - 9.5-13.3 HD3 LYS 75 - HE3 LYS 73 far 0 99 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. 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; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HA VAL 76 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 76 + HA VAL 76 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (0.92, 3.97, 62.83 ppm; 2.91 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 76 + HA VAL 76 OK 95 100 100 95 2.1-3.2 3.2=75, 4.3/349=25...(11) * QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.2-3.2 3.2=75, 815/3.0=44...(8) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (0.92, 3.97, 62.83 ppm; 2.91 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 76 + HA VAL 76 OK 95 100 100 95 2.1-3.2 3.2=75, 4.3/349=25...(11) QG1 VAL 76 + HA VAL 76 OK 94 100 100 94 2.2-3.2 3.2=75, 815/3.0=44...(8) QG2 VAL 41 - HA VAL 76 far 0 93 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (7.96, 2.04, 32.56 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 76 + HB VAL 76 OK 100 100 100 100 2.6-3.6 813=100, 815/2.1=82...(8) H LYS 32 - HB3 MET 31 far 0 48 0 - 4.1-4.3 H ALA 30 - HB3 MET 31 far 0 42 0 - 6.1-6.4 H ALA 63 - HB3 MET 31 far 0 50 0 - 6.8-7.5 H LEU 29 - HB3 MET 31 far 0 62 0 - 7.2-7.6 H ASP 67 - HB3 MET 31 far 0 32 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (3.97, 2.04, 32.56 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 76 + HB VAL 76 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 61 + HB3 MET 31 OK 55 64 100 86 2.6-3.4 5079/4.3=41, 4203/1.8=22...(9) HA ALA 28 - HB3 MET 31 far 0 60 0 - 4.6-5.1 HA LYS 32 - HB3 MET 31 far 0 61 0 - 5.6-5.9 HA2 GLY 72 - HB VAL 76 far 0 100 0 - 6.2-7.7 Violated in 0 structures by 0.00 A. Peak 3163 from cnoeabs.peaks (2.04, 2.04, 32.56 ppm; diagonal): 3 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 9 assignments used, quality = 1.00: QG2 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 * QG1 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 100 100 2.1-2.1 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 VAL 41 - HB VAL 76 far 0 93 0 - 5.6-7.6 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 8.3-9.5 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 8.9-9.4 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 9.1-9.8 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 3165 from cnoeabs.peaks (0.92, 2.04, 32.56 ppm; 2.95 A): 4 out of 9 assignments used, quality = 1.00: * QG2 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + HB VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 90 + HB VAL 90 OK 48 48 100 100 2.1-2.1 2.1=100 QG2 VAL 90 + HB VAL 90 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 VAL 41 - HB VAL 76 far 0 93 0 - 5.6-7.6 HG12 ILE 68 - HB3 MET 31 far 0 65 0 - 8.3-9.5 QD2 LEU 62 - HB3 MET 31 far 0 61 0 - 8.9-9.4 QG2 ILE 40 - HB3 MET 31 far 0 61 0 - 9.1-9.8 QG2 ILE 40 - HB VAL 76 far 0 98 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (7.96, 0.92, 20.62 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 76 + QG1 VAL 76 OK 100 100 100 100 1.9-3.0 814=100, 813/2.1=74...(13) H VAL 76 + QG2 VAL 76 OK 25 100 25 100 1.9-4.0 814/2.1=77, 813/2.1=74...(9) H ARG 70 - QG2 VAL 76 far 0 99 0 - 7.6-11.7 H ARG 69 - QG2 VAL 76 far 0 75 0 - 7.9-12.7 H ARG 70 - QG1 VAL 76 far 0 99 0 - 8.0-10.5 H ARG 69 - QG1 VAL 76 far 0 76 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (3.97, 0.92, 20.62 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.2-3.2 3.2=100 HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA2 GLY 72 - QG2 VAL 76 far 0 99 0 - 4.1-7.9 HA2 GLY 72 - QG1 VAL 76 far 0 100 0 - 4.1-5.3 Violated in 0 structures by 0.00 A. Peak 3168 from cnoeabs.peaks (2.04, 0.92, 20.62 ppm; 3.00 A): 4 out of 19 assignments used, quality = 1.00: * HB VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG1 VAL 90 OK 46 46 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG2 VAL 90 OK 44 44 100 100 2.1-2.1 2.1=100 HB3 GLN 91 - QG2 VAL 90 far 0 75 0 - 3.5-6.5 HB3 GLN 91 - QG1 VAL 90 far 0 77 0 - 3.5-6.6 HB2 GLU 87 - QG2 VAL 90 far 0 67 0 - 6.6-11.3 HD3 ARG 69 - QG1 VAL 76 far 0 93 0 - 6.7-12.7 HD3 ARG 69 - QG2 VAL 76 far 0 92 0 - 6.9-13.3 HB2 GLU 87 - QG1 VAL 90 far 0 69 0 - 7.6-11.8 HD2 ARG 69 - QG1 VAL 76 far 0 93 0 - 7.7-12.7 HD2 ARG 69 - QG2 VAL 76 far 0 92 0 - 8.2-13.3 HG2 PRO 44 - QG1 VAL 90 far 0 78 0 - 8.2-40.1 HB VAL 45 - QG1 VAL 76 far 0 81 0 - 8.4-14.5 HB VAL 45 - QG2 VAL 76 far 0 80 0 - 8.4-14.1 HB3 GLU 19 - QG1 VAL 76 far 0 99 0 - 8.9-21.7 HG2 PRO 44 - QG2 VAL 90 far 0 75 0 - 9.1-40.8 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 9.7-15.5 HG2 PRO 44 - QG1 VAL 76 far 0 100 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: H VAL 76 + QG1 VAL 76 OK 100 100 100 100 1.9-3.0 814=100, 813/2.1=74...(13) * H VAL 76 + QG2 VAL 76 OK 25 100 25 100 1.9-4.0 814/2.1=77, 813/2.1=74...(9) H ARG 70 - QG2 VAL 76 far 0 99 0 - 7.6-11.7 H ARG 69 - QG2 VAL 76 far 0 76 0 - 7.9-12.7 H ARG 70 - QG1 VAL 76 far 0 99 0 - 8.0-10.5 H ARG 69 - QG1 VAL 76 far 0 75 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 3172 from cnoeabs.peaks (3.97, 0.92, 20.67 ppm; 3.21 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.2-3.2 3.2=100 HA2 GLY 72 - QG2 VAL 76 far 0 100 0 - 4.1-7.9 HA2 GLY 72 - QG1 VAL 76 far 0 99 0 - 4.1-5.3 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (2.04, 0.92, 20.67 ppm; 3.00 A): 4 out of 19 assignments used, quality = 1.00: * HB VAL 76 + QG2 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG1 VAL 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG1 VAL 90 OK 43 43 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG2 VAL 90 OK 42 42 100 100 2.1-2.1 2.1=100 HB3 GLN 91 - QG2 VAL 90 far 0 71 0 - 3.5-6.5 HB3 GLN 91 - QG1 VAL 90 far 0 74 0 - 3.5-6.6 HB2 GLU 87 - QG2 VAL 90 far 0 63 0 - 6.6-11.3 HD3 ARG 69 - QG1 VAL 76 far 0 92 0 - 6.7-12.7 HD3 ARG 69 - QG2 VAL 76 far 0 93 0 - 6.9-13.3 HB2 GLU 87 - QG1 VAL 90 far 0 66 0 - 7.6-11.8 HD2 ARG 69 - QG1 VAL 76 far 0 92 0 - 7.7-12.7 HD2 ARG 69 - QG2 VAL 76 far 0 93 0 - 8.2-13.3 HG2 PRO 44 - QG1 VAL 90 far 0 74 0 - 8.2-40.1 HB VAL 45 - QG1 VAL 76 far 0 80 0 - 8.4-14.5 HB VAL 45 - QG2 VAL 76 far 0 81 0 - 8.4-14.1 HB3 GLU 19 - QG1 VAL 76 far 0 99 0 - 8.9-21.7 HG2 PRO 44 - QG2 VAL 90 far 0 72 0 - 9.1-40.8 HG2 PRO 44 - QG2 VAL 76 far 0 100 0 - 9.7-15.5 HG2 PRO 44 - QG1 VAL 76 far 0 100 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. 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; 3.73 A): 3 out of 9 assignments used, quality = 1.00: * H ALA 77 + HA ALA 77 OK 100 100 100 100 2.8-2.9 3.0=100 H GLN 79 + HA ALA 78 OK 50 50 100 100 3.4-3.6 3.6=100 H GLN 79 + HA ALA 77 OK 28 97 50 58 3.5-5.2 4.6/6154=35, 4.6/3988=24...(5) H SER 22 - HA ALA 20 far 4 42 10 - 3.8-7.1 H ALA 77 - HA ALA 78 far 0 54 0 - 4.6-5.3 H GLU 25 - HA ALA 20 far 0 30 0 - 6.4-10.3 H ARG 84 - HA ALA 78 far 0 29 0 - 6.8-13.5 H ALA 28 - HA ALA 20 far 0 45 0 - 8.0-13.9 H ARG 84 - HA ALA 77 far 0 65 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (4.23, 4.23, 52.70 ppm; diagonal): 3 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 16 assignments used, quality = 1.00: * QB ALA 77 + HA ALA 77 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 20 + HA ALA 20 OK 51 51 100 100 2.1-2.1 2.1=100 QB ALA 78 + HA ALA 78 OK 48 48 100 100 2.1-2.1 2.1=100 QB ALA 77 - HA ALA 78 far 0 54 0 - 3.7-3.9 HG3 LYS 73 - HA ALA 77 far 0 96 0 - 4.9-8.7 QB ALA 78 - HA ALA 77 far 0 96 0 - 4.9-5.0 HG2 LYS 83 - HA ALA 78 far 0 52 0 - 5.3-12.1 HG2 LYS 75 - HA ALA 77 far 0 93 0 - 6.9-9.2 HG2 LYS 83 - HA ALA 77 far 0 99 0 - 7.1-14.8 HG3 LYS 75 - HA ALA 78 far 0 46 0 - 7.1-12.8 QB ALA 16 - HA ALA 20 far 0 41 0 - 7.3-12.1 HG3 LYS 75 - HA ALA 77 far 0 93 0 - 7.5-9.9 HG2 LYS 75 - HA ALA 78 far 0 46 0 - 7.6-11.8 HG2 LYS 85 - HA ALA 78 far 0 54 0 - 8.4-19.3 HG3 LYS 73 - HA ALA 78 far 0 48 0 - 9.4-12.7 HG3 LYS 39 - HA ALA 20 far 0 24 0 - 9.6-22.3 Violated in 0 structures by 0.00 A. Peak 3180 from cnoeabs.peaks (4.23, 1.38, 18.78 ppm; 2.60 A): 3 out of 22 assignments used, quality = 1.00: * HA ALA 77 + QB ALA 77 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 20 + QB ALA 20 OK 65 65 100 100 2.1-2.1 2.1=100 HA ALA 78 + QB ALA 78 OK 53 53 100 100 2.1-2.1 2.1=100 HA LYS 75 - QB ALA 78 far 4 87 5 - 2.7-7.8 HA ALA 78 - QB ALA 77 far 0 63 0 - 3.7-3.9 HA THR 15 - QB ALA 16 far 0 56 0 - 3.7-5.0 HA GLU 19 - QB ALA 20 far 0 75 0 - 3.8-5.0 HA LYS 75 - QB ALA 77 far 0 97 0 - 4.2-5.8 HA GLU 19 - QB ALA 16 far 0 41 0 - 4.2-9.6 HB THR 37 - QB ALA 20 far 0 96 0 - 4.7-13.6 HA ALA 77 - QB ALA 78 far 0 92 0 - 4.9-5.0 HA LYS 83 - QB ALA 78 far 0 88 0 - 6.1-11.2 HA LYS 85 - QB ALA 78 far 0 91 0 - 6.7-16.5 HA LYS 39 - QB ALA 16 far 0 52 0 - 7.0-22.6 HA ALA 20 - QB ALA 16 far 0 34 0 - 7.3-12.1 HA LYS 39 - QB ALA 20 far 0 90 0 - 7.4-17.9 HA ALA 12 - QB ALA 16 far 0 39 0 - 7.4-12.2 HA LYS 83 - QB ALA 77 far 0 98 0 - 8.3-10.8 HA THR 15 - QB ALA 20 far 0 95 0 - 8.6-15.6 HA LYS 85 - QB ALA 77 far 0 100 0 - 8.9-16.5 HA LYS 83 - QB ALA 16 far 0 59 0 - 9.6-43.5 HB THR 37 - QB ALA 16 far 0 58 0 - 10.0-19.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H ALA 78 + HA ALA 78 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 78 + HA ALA 77 OK 57 57 100 100 3.4-3.6 3.6=100 H ASN 74 - HA ALA 77 far 0 56 0 - 6.1-7.3 H ASN 74 - HA ALA 78 far 0 100 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 3183 from cnoeabs.peaks (4.21, 4.21, 52.88 ppm; diagonal): 2 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 13 assignments used, quality = 1.00: * QB ALA 78 + HA ALA 78 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 77 + HA ALA 77 OK 50 50 100 100 2.1-2.1 2.1=100 QB ALA 77 - HA ALA 78 far 0 96 0 - 3.7-3.9 HG3 LYS 73 - HA ALA 77 far 0 57 0 - 4.9-8.7 QB ALA 78 - HA ALA 77 far 0 57 0 - 4.9-5.0 HG2 LYS 83 - HA ALA 78 far 0 85 0 - 5.3-12.1 HG2 LYS 75 - HA ALA 77 far 0 57 0 - 6.9-9.2 HG2 LYS 83 - HA ALA 77 far 0 42 0 - 7.1-14.8 HG3 LYS 75 - HA ALA 78 far 0 100 0 - 7.1-12.8 HG3 LYS 75 - HA ALA 77 far 0 57 0 - 7.5-9.9 HG2 LYS 75 - HA ALA 78 far 0 100 0 - 7.6-11.8 HG2 LYS 85 - HA ALA 78 far 0 97 0 - 8.4-19.3 HG3 LYS 73 - HA ALA 78 far 0 100 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (8.15, 1.39, 18.67 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 78 + QB ALA 78 OK 100 100 100 100 2.0-2.3 2.9=100 H ALA 78 + QB ALA 77 OK 90 92 100 98 2.5-3.1 3.6=94, 3988/2.1=42...(5) H ASN 74 - QB ALA 77 far 0 91 0 - 4.1-5.3 H ARG 26 - QB ALA 20 far 0 81 0 - 4.4-9.0 H LEU 57 - QB ALA 53 far 0 59 0 - 6.3-7.0 H ASN 74 - QB ALA 78 far 0 100 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (4.21, 1.39, 18.67 ppm; 2.82 A): 2 out of 13 assignments used, quality = 1.00: * HA ALA 78 + QB ALA 78 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 77 + QB ALA 77 OK 55 55 100 100 2.1-2.1 2.1=100 HA GLN 79 - QB ALA 78 far 0 98 0 - 3.6-3.9 HA ALA 78 - QB ALA 77 far 0 92 0 - 3.7-3.9 HA LYS 73 - QB ALA 77 far 0 58 0 - 4.2-5.9 HB THR 37 - QB ALA 20 far 0 81 0 - 4.7-13.6 HA ALA 77 - QB ALA 78 far 0 65 0 - 4.9-5.0 HA ARG 84 - QB ALA 78 far 0 78 0 - 5.2-14.1 HA GLN 79 - QB ALA 77 far 0 88 0 - 6.4-7.0 HA LYS 85 - QB ALA 78 far 0 76 0 - 6.7-16.5 HA LYS 73 - QB ALA 78 far 0 69 0 - 7.1-8.8 HA ARG 84 - QB ALA 77 far 0 67 0 - 7.6-14.0 HA LYS 85 - QB ALA 77 far 0 65 0 - 8.9-16.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 GLN 79 + HA GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 79 + HA GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 GLN 79 - HA ARG 82 far 0 39 0 - 8.1-11.3 HB2 GLN 79 - HA ARG 82 far 0 74 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 3191 from cnoeabs.peaks (1.99, 4.20, 56.12 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 79 + HA GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 79 + HA GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 GLN 79 - HA ARG 82 far 0 74 0 - 8.1-11.3 HB2 GLN 79 - HA ARG 82 far 0 39 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 3192 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.82 A increased from 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 79 + HA GLN 79 OK 100 100 100 100 2.1-3.8 3.7=100 HG3 GLN 79 + HA GLN 79 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 7.5-12.6 HG2 GLN 79 - HA ARG 82 far 0 74 0 - 7.8-12.6 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (2.33, 4.20, 56.12 ppm; 3.82 A increased from 3.59 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 79 + HA GLN 79 OK 100 100 100 100 2.1-3.8 3.7=100 * HG3 GLN 79 + HA GLN 79 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLN 79 - HA ARG 82 far 0 74 0 - 7.5-12.6 HG2 GLN 79 - HA ARG 82 far 0 74 0 - 7.8-12.6 Violated in 0 structures by 0.00 A. Peak 3197 from cnoeabs.peaks (4.20, 1.97, 28.98 ppm; 3.55 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HA ARG 84 - HB3 GLN 79 far 0 55 0 - 4.9-16.0 HA ALA 78 - HB2 GLN 79 far 0 98 0 - 5.5-5.9 HA ARG 84 - HB2 GLN 79 far 0 95 0 - 5.7-17.0 HA ALA 78 - HB3 GLN 79 far 0 59 0 - 5.8-6.6 HA LYS 73 - HB3 GLN 79 far 0 48 0 - 7.0-11.5 HA ARG 82 - HB3 GLN 79 far 0 44 0 - 8.1-11.3 HA LYS 73 - HB2 GLN 79 far 0 87 0 - 8.2-10.7 HA ARG 82 - HB2 GLN 79 far 0 81 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 3198 from cnoeabs.peaks (1.97, 1.97, 28.98 ppm; diagonal): 2 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 4 assignments used, quality = 1.00: HG3 GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (2.33, 1.97, 28.98 ppm; 3.48 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (8.22, 1.99, 28.98 ppm; 4.56 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.5-3.6 4.0=100 H GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.2-2.7 4.0=100 H ALA 77 - HB2 GLN 79 far 0 59 0 - 5.0-6.5 H ALA 77 - HB3 GLN 79 far 0 98 0 - 5.5-7.5 H ARG 84 - HB3 GLN 79 far 0 87 0 - 7.4-15.7 H ARG 84 - HB2 GLN 79 far 0 48 0 - 8.3-16.5 Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (4.20, 1.99, 28.98 ppm; 3.60 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 HA ARG 84 - HB3 GLN 79 far 0 95 0 - 4.9-16.0 HA ALA 78 - HB2 GLN 79 far 0 59 0 - 5.5-5.9 HA ARG 84 - HB2 GLN 79 far 0 55 0 - 5.7-17.0 HA ALA 78 - HB3 GLN 79 far 0 98 0 - 5.8-6.6 HA LYS 73 - HB3 GLN 79 far 0 87 0 - 7.0-11.5 HA ARG 82 - HB3 GLN 79 far 0 81 0 - 8.1-11.3 HA LYS 73 - HB2 GLN 79 far 0 48 0 - 8.2-10.7 HA ARG 82 - HB2 GLN 79 far 0 44 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. 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): 3 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 5 assignments used, quality = 1.00: * HG2 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG2 GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 GLU 59 - HG2 ARG 66 far 0 89 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (2.33, 1.99, 28.98 ppm; 3.45 A): 4 out of 5 assignments used, quality = 1.00: HG2 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLN 79 + HB3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HG2 GLN 79 + HB2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HG3 GLU 59 - HG2 ARG 66 far 0 89 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (1.97, 2.33, 33.49 ppm; 3.32 A): 4 out of 4 assignments used, quality = 1.00: HB2 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (1.99, 2.33, 33.49 ppm; 3.15 A): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 HB3 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3223 from cnoeabs.peaks (1.99, 2.33, 33.49 ppm; 3.15 A): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 79 + HG3 GLN 79 OK 63 63 100 100 2.2-3.0 3.0=100 HB2 GLN 79 + HG2 GLN 79 OK 63 63 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.29 A): 1 out of 10 assignments used, quality = 1.00: * HB2 ARG 82 + HA ARG 82 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 83 - HA ARG 84 far 0 54 0 - 4.2-5.8 HB3 LYS 85 - HA ARG 84 far 0 44 0 - 4.3-6.5 HB3 LYS 83 - HA ARG 82 far 0 76 0 - 4.4-6.6 HB3 LYS 83 - HA GLN 79 far 0 50 0 - 4.5-14.0 HB2 ARG 82 - HA ARG 84 far 0 81 0 - 5.1-8.4 HB2 ARG 82 - HA GLN 79 far 0 76 0 - 6.5-10.7 HB3 LYS 85 - HA GLN 79 far 0 41 0 - 6.6-17.6 HG2 ARG 70 - HA LYS 73 far 0 49 0 - 7.8-9.1 HB3 LYS 85 - HA ARG 82 far 0 63 0 - 7.8-12.4 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.76, 4.18, 56.27 ppm; 3.15 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ARG 82 + HA ARG 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 73 + HA LYS 73 OK 51 51 100 100 2.8-3.0 3.0=100 HB2 LYS 83 - HA GLN 79 far 3 63 5 - 3.3-13.5 HB2 LYS 83 - HA ARG 82 far 0 90 0 - 4.2-5.8 HB3 LYS 75 - HA LYS 73 far 0 38 0 - 4.5-6.5 HB2 LYS 83 - HA ARG 84 far 0 67 0 - 4.5-6.0 HB3 ARG 82 - HA GLN 79 far 0 76 0 - 5.7-10.0 HB3 ARG 82 - HA ARG 84 far 0 81 0 - 5.9-8.7 HG3 ARG 71 - HA LYS 73 far 0 49 0 - 7.2-9.8 HB3 LYS 75 - HA GLN 79 far 0 52 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 3235 from cnoeabs.peaks (4.18, 1.69, 30.45 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 82 + HB2 ARG 82 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 84 - HB2 ARG 82 far 0 99 0 - 5.1-8.4 HA GLN 79 - HB2 ARG 82 far 0 83 0 - 6.5-10.7 HA ALA 78 - HB2 ARG 82 far 0 60 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 ARG 82 + HB2 ARG 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 83 - HB2 ARG 82 far 0 90 0 - 4.0-6.4 Violated in 0 structures by 0.00 A. Peak 3242 from cnoeabs.peaks (4.18, 1.76, 30.45 ppm; 3.78 A): 1 out of 12 assignments used, quality = 1.00: * HA ARG 82 + HB3 ARG 82 OK 100 100 100 100 2.4-3.0 3.0=100 HB THR 15 - HB3 LYS 32 far 4 75 5 - 3.3-27.9 HA LEU 29 - HB3 ARG 17 far 0 57 0 - 4.3-16.9 HB THR 15 - HB2 LYS 32 far 0 75 0 - 4.4-28.6 HB THR 15 - HB3 ARG 17 far 0 66 0 - 5.1-9.7 HA LEU 29 - HB3 LYS 32 far 0 65 0 - 5.4-5.9 HA GLN 79 - HB3 ARG 82 far 0 83 0 - 5.7-10.0 HA ARG 84 - HB3 ARG 82 far 0 99 0 - 5.9-8.7 HA LEU 29 - HB2 LYS 32 far 0 65 0 - 6.0-6.5 HB THR 15 - HB2 PRO 34 far 0 86 0 - 6.1-23.1 HA ALA 78 - HB3 ARG 82 far 0 60 0 - 6.7-9.5 HA LEU 29 - HB2 PRO 34 far 0 76 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 3243 from cnoeabs.peaks (1.69, 1.76, 30.45 ppm; 2.40 A): 1 out of 22 assignments used, quality = 1.00: * HB2 ARG 82 + HB3 ARG 82 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 13 - HB3 LYS 32 far 2 41 5 - 2.6-25.4 HD3 LYS 13 - HB2 LYS 32 far 0 41 0 - 4.1-27.2 HB3 LYS 83 - HB3 ARG 82 far 0 76 0 - 4.2-7.7 HD2 LYS 13 - HB3 LYS 32 far 0 41 0 - 4.3-24.6 HB3 LYS 13 - HB3 LYS 32 far 0 71 0 - 5.2-25.8 HB2 LEU 29 - HB3 ARG 17 far 0 48 0 - 5.2-17.6 HD2 LYS 13 - HB2 PRO 34 far 0 49 0 - 5.7-24.9 HD2 LYS 13 - HB2 LYS 32 far 0 41 0 - 5.8-26.4 HB3 LYS 13 - HB2 PRO 34 far 0 82 0 - 6.0-27.4 HD3 LYS 13 - HB2 PRO 34 far 0 49 0 - 6.2-26.5 HB3 LYS 13 - HB2 LYS 32 far 0 71 0 - 6.6-26.4 HG LEU 29 - HB3 ARG 17 far 0 52 0 - 6.9-16.5 HB2 LEU 29 - HB3 LYS 32 far 0 56 0 - 7.0-7.6 HB3 LYS 85 - HB3 ARG 82 far 0 63 0 - 7.4-13.1 HB2 LEU 29 - HB2 LYS 32 far 0 56 0 - 7.6-8.3 HG LEU 29 - HB3 LYS 32 far 0 60 0 - 8.7-9.0 HG LEU 29 - HB2 LYS 32 far 0 60 0 - 8.8-9.2 HD3 LYS 13 - HB3 ARG 17 far 0 36 0 - 8.9-17.4 HB3 LYS 13 - HB3 ARG 17 far 0 63 0 - 8.9-16.5 HD2 LYS 13 - HB3 ARG 17 far 0 36 0 - 9.3-18.0 HB3 LEU 64 - HB2 LYS 32 far 0 80 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H LYS 83 + HA LYS 83 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 19 + HA GLU 19 OK 87 87 100 100 2.3-2.9 3.0=100 H LYS 83 - HA LYS 85 far 0 73 0 - 6.3-9.1 H ASP 24 - HA GLU 19 far 0 62 0 - 9.0-14.3 Violated in 0 structures by 0.00 A. 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; 3.41 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 85 + HA LYS 85 OK 52 52 100 100 2.4-3.0 3.0=100 HB3 ARG 84 - HA LYS 85 far 0 52 0 - 4.1-5.9 HB3 ARG 84 - HA LYS 83 far 0 81 0 - 4.3-5.9 HB3 ARG 82 - HA LYS 83 far 0 90 0 - 4.6-6.0 HB2 LYS 83 - HA LYS 85 far 0 73 0 - 5.5-8.4 HB2 LYS 85 - HA LYS 83 far 0 81 0 - 5.5-9.3 HB3 ARG 82 - HA LYS 85 far 0 60 0 - 7.7-12.0 HB3 LYS 39 - HA GLU 19 far 0 92 0 - 8.7-19.9 HB ILE 33 - HA GLU 19 far 0 83 0 - 9.0-17.9 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (1.72, 4.24, 56.21 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LYS 83 + HA LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 85 + HA LYS 85 OK 72 72 100 100 2.4-3.0 3.0=100 HB3 ARG 17 - HA GLU 19 far 0 57 0 - 3.9-8.8 HB2 ARG 84 - HA LYS 83 far 0 98 0 - 4.2-6.0 HB2 ARG 82 - HA LYS 83 far 0 76 0 - 4.3-5.9 HB2 ARG 84 - HA LYS 85 far 0 69 0 - 4.5-6.0 HB3 LYS 83 - HA LYS 85 far 0 73 0 - 5.3-8.1 HB3 LYS 85 - HA LYS 83 far 0 100 0 - 5.6-9.3 HB2 LEU 29 - HA GLU 19 far 0 92 0 - 5.9-15.2 HB2 ARG 82 - HA LYS 85 far 0 48 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (8.31, 1.78, 32.59 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.2-3.8 4.0=100 H LYS 83 - HB2 LYS 85 far 0 81 0 - 5.3-10.5 H GLU 19 - HB3 LYS 39 far 0 89 0 - 6.1-19.2 H ASP 24 - HB3 LYS 75 far 0 71 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (4.24, 1.78, 32.59 ppm; 3.20 A): 4 out of 18 assignments used, quality = 1.00: * HA LYS 83 + HB2 LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 99 99 100 100 2.4-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 92 92 100 100 2.4-2.8 3.0=100 HA LYS 85 + HB2 LYS 85 OK 70 70 100 100 2.4-3.0 3.0=100 HA ALA 12 - HB2 LYS 13 far 0 76 0 - 4.7-5.9 HA ALA 77 - HB3 LYS 73 far 0 92 0 - 4.9-7.5 HA THR 15 - HB2 LYS 13 far 0 87 0 - 5.4-9.3 HA LYS 85 - HB2 LYS 83 far 0 93 0 - 5.5-8.4 HA LYS 83 - HB2 LYS 85 far 0 81 0 - 5.5-9.3 HA ALA 77 - HB3 LYS 75 far 0 96 0 - 7.1-8.5 HA ALA 20 - HB3 LYS 39 far 0 77 0 - 7.1-19.9 HB THR 37 - HB3 LYS 39 far 0 73 0 - 7.2-8.1 HA LYS 75 - HB3 LYS 73 far 0 96 0 - 7.3-7.8 HA ALA 77 - HB2 LYS 83 far 0 97 0 - 7.9-14.5 HA GLU 19 - HB3 LYS 39 far 0 84 0 - 8.7-19.9 HA LYS 39 - HB2 LYS 13 far 0 85 0 - 8.9-32.9 HA THR 15 - HB3 LYS 39 far 0 94 0 - 9.2-28.5 HB THR 37 - HB3 LYS 75 far 0 81 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HB3 LYS 83 + HB2 LYS 83 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 85 + HB2 LYS 85 OK 79 79 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB2 LYS 85 far 0 76 0 - 3.5-7.2 HB2 ARG 82 - HB2 LYS 83 far 0 76 0 - 4.0-6.4 HB3 LYS 83 - HB2 LYS 85 far 0 81 0 - 4.8-9.4 HB2 ARG 84 - HB2 LYS 83 far 0 98 0 - 5.2-7.6 HB3 LYS 85 - HB2 LYS 83 far 0 100 0 - 5.6-10.0 HB2 LEU 43 - HB3 LYS 39 far 0 92 0 - 5.9-6.3 HG2 ARG 70 - HB3 LYS 73 far 0 93 0 - 6.1-7.9 HB2 ARG 82 - HB2 LYS 85 far 0 54 0 - 6.7-12.9 HG2 ARG 70 - HB3 LYS 75 far 0 97 0 - 8.0-11.5 HB3 ARG 17 - HB2 LYS 13 far 0 54 0 - 8.2-14.8 HB2 LEU 29 - HB2 LYS 13 far 0 88 0 - 8.4-24.6 HB3 ARG 17 - HB3 LYS 39 far 0 60 0 - 9.8-21.7 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (8.31, 1.72, 32.59 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 83 + HB3 LYS 83 OK 100 100 100 100 2.5-3.9 4.0=100 H LYS 83 - HB3 LYS 85 far 0 100 0 - 6.3-10.5 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (4.24, 1.72, 32.59 ppm; 3.96 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 83 + HB3 LYS 83 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 85 + HB3 LYS 85 OK 92 92 100 100 2.4-3.0 3.0=100 HA LYS 85 - HB3 LYS 83 far 0 93 0 - 5.3-8.1 HA LYS 83 - HB3 LYS 85 far 0 100 0 - 5.6-9.3 HA ALA 77 - HB3 LYS 83 far 0 97 0 - 7.0-14.0 Violated in 0 structures by 0.00 A. Peak 3299 from cnoeabs.peaks (1.78, 1.72, 32.59 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 83 + HB3 LYS 83 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 85 + HB3 LYS 85 OK 79 79 100 100 1.8-1.8 1.8=100 HB3 ARG 82 - HB3 LYS 83 far 0 90 0 - 4.2-7.7 HB3 ARG 84 - HB3 LYS 83 far 0 81 0 - 4.6-7.6 HB3 ARG 84 - HB3 LYS 85 far 0 79 0 - 4.6-6.8 HB2 LYS 85 - HB3 LYS 83 far 0 81 0 - 4.8-9.4 HB2 LYS 83 - HB3 LYS 85 far 0 100 0 - 5.6-10.0 HB3 ARG 82 - HB3 LYS 85 far 0 89 0 - 7.4-13.1 Violated in 0 structures by 0.00 A. 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; 3.82 A): 1 out of 12 assignments used, quality = 1.00: * H ARG 84 + HA ARG 84 OK 100 100 100 100 2.8-2.9 3.0=100 H ALA 77 - HA LYS 73 far 9 58 15 - 4.0-6.3 H THR 15 - HA LEU 29 far 0 63 0 - 4.7-25.2 H ARG 84 - HA ARG 82 far 0 80 0 - 5.2-6.6 H ALA 28 - HA LEU 29 far 0 55 0 - 5.2-5.3 H GLN 79 - HA ARG 84 far 0 89 0 - 5.6-16.4 H ARG 27 - HA LEU 29 far 0 45 0 - 7.2-7.4 H GLN 79 - HA LYS 73 far 0 81 0 - 7.3-9.7 H GLN 79 - HA ARG 82 far 0 65 0 - 8.2-10.5 H GLU 25 - HA LEU 29 far 0 64 0 - 9.3-9.4 H SER 22 - HA LEU 29 far 0 57 0 - 9.8-11.3 H ALA 77 - HA ARG 84 far 0 65 0 - 9.9-18.5 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 4 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 12 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 29 + HA LEU 29 OK 59 59 100 100 2.6-2.6 3.0=100 HB3 LYS 83 - HA ARG 84 far 0 98 0 - 4.2-5.8 HB3 LYS 85 - HA ARG 84 far 0 100 0 - 4.3-6.5 HB3 ARG 17 - HA LEU 29 far 0 51 0 - 4.3-16.9 HB3 LYS 83 - HA ARG 82 far 0 76 0 - 4.4-6.6 HB2 ARG 84 - HA ARG 82 far 0 80 0 - 5.2-9.1 HG3 ARG 71 - HA LYS 73 far 0 63 0 - 7.2-9.8 HG2 ARG 70 - HA LYS 73 far 0 79 0 - 7.8-9.1 HB3 LYS 85 - HA ARG 82 far 0 79 0 - 7.8-12.4 HG3 ARG 26 - HA LEU 29 far 0 43 0 - 8.1-9.5 HB2 LEU 43 - HA LYS 73 far 0 95 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (1.80, 4.18, 56.53 ppm; 2.97 A): 3 out of 14 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 100 100 2.4-3.0 3.0=97, 843/3.0=24...(22) HB2 LYS 73 + HA LYS 73 OK 75 75 100 100 2.6-2.9 3.0=96, 2.9/2963=37...(13) HB3 LYS 73 + HA LYS 73 OK 63 63 100 100 2.8-3.0 3.0=96, 2.9/2963=37...(15) HB2 LYS 83 - HA ARG 82 far 0 58 0 - 4.2-5.8 HB2 LYS 85 - HA ARG 84 far 0 100 0 - 4.3-5.7 HB3 LYS 75 - HA LYS 73 far 0 84 0 - 4.5-6.5 HB2 LYS 83 - HA ARG 84 far 0 81 0 - 4.5-6.0 HB3 LYS 32 - HA LEU 29 far 0 32 0 - 5.4-5.9 HB2 LYS 32 - HA LEU 29 far 0 32 0 - 6.0-6.5 HB3 ARG 84 - HA ARG 82 far 0 80 0 - 6.2-9.6 HB2 LYS 85 - HA ARG 82 far 0 80 0 - 7.1-12.5 HB2 ARG 69 - HA LYS 73 far 0 96 0 - 7.5-8.9 HB2 LYS 13 - HA LEU 29 far 0 56 0 - 7.9-22.7 HB2 PRO 34 - HA LEU 29 far 0 42 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.43 A): 4 out of 18 assignments used, quality = 0.99: HG3 ARG 84 + HA ARG 84 OK 89 100 90 99 2.2-3.8 3.9=68, 3402/3.0=32...(38) * HG2 ARG 84 + HA ARG 84 OK 75 100 75 99 2.2-4.2 3.9=68, 3394/3.0=33...(42) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.3-2.3 3.0=100 HD3 LYS 73 + HA LYS 73 OK 44 81 55 99 2.4-4.7 2.9/2963=50, 5.2=29...(51) HD2 LYS 73 - HA LYS 73 poor 16 81 20 - 2.5-4.6 HB2 LEU 86 - HA ARG 84 far 0 81 0 - 3.9-9.3 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 4.2-18.6 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 4.3-16.2 HG LEU 86 - HA ARG 82 far 0 79 0 - 4.6-16.0 HG3 ARG 84 - HA ARG 82 far 0 80 0 - 5.4-9.5 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 5.6-16.9 HG2 ARG 84 - HA ARG 82 far 0 80 0 - 5.6-8.9 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 6.0-7.8 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 6.2-8.0 HG LEU 86 - HA ARG 84 far 0 100 0 - 6.3-10.0 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.2-10.0 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.2-10.0 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (1.59, 4.18, 56.53 ppm; 3.43 A): 4 out of 18 assignments used, quality = 0.99: * HG3 ARG 84 + HA ARG 84 OK 89 100 90 99 2.2-3.8 3.9=68, 3402/3.0=32...(38) HG2 ARG 84 + HA ARG 84 OK 75 100 75 99 2.2-4.2 3.9=68, 3394/3.0=33...(42) HB3 LEU 29 + HA LEU 29 OK 56 56 100 100 2.3-2.3 3.0=100 HD3 LYS 73 + HA LYS 73 OK 44 81 55 99 2.4-4.7 2.9/2963=50, 5.2=29...(51) HD2 LYS 73 - HA LYS 73 poor 16 81 20 - 2.5-4.6 HB2 LEU 86 - HA ARG 84 far 0 81 0 - 3.9-9.3 HG3 ARG 17 - HA LEU 29 far 0 37 0 - 4.2-18.6 HB2 LEU 86 - HA ARG 82 far 0 58 0 - 4.3-16.2 HG LEU 86 - HA ARG 82 far 0 79 0 - 4.6-16.0 HG3 ARG 84 - HA ARG 82 far 0 80 0 - 5.4-9.5 HG2 ARG 17 - HA LEU 29 far 0 38 0 - 5.6-16.9 HG2 ARG 84 - HA ARG 82 far 0 80 0 - 5.6-8.9 HD3 LYS 32 - HA LEU 29 far 0 48 0 - 6.0-7.8 HD2 LYS 32 - HA LEU 29 far 0 51 0 - 6.2-8.0 HG LEU 86 - HA ARG 84 far 0 100 0 - 6.3-10.0 HG2 ARG 71 - HA LYS 73 far 0 61 0 - 7.2-10.0 HG3 ARG 70 - HA LYS 73 far 0 77 0 - 7.2-10.0 HG2 ARG 26 - HA LEU 29 far 0 33 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 3376 from cnoeabs.peaks (4.18, 1.73, 30.41 ppm; 5.34 A): 1 out of 6 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 82 - HB2 ARG 84 far 5 99 5 - 5.2-9.1 HA LEU 29 - HB3 ARG 17 far 5 49 10 - 4.3-16.9 HA GLN 79 - HB2 ARG 84 far 5 95 5 - 4.7-15.8 HA ALA 78 - HB2 ARG 84 far 4 78 5 - 5.3-16.1 HB THR 15 - HB3 ARG 17 far 3 62 5 - 5.1-9.7 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 85 - HB2 ARG 84 far 0 100 0 - 3.5-7.2 HB2 LYS 83 - HB2 ARG 84 far 0 81 0 - 5.2-7.6 HB3 LYS 32 - HB3 ARG 17 far 0 39 0 - 6.2-21.2 HB2 LYS 32 - HB3 ARG 17 far 0 39 0 - 7.4-21.8 HB2 PRO 34 - HB3 ARG 17 far 0 51 0 - 7.5-19.5 HB2 LYS 13 - HB3 ARG 17 far 0 68 0 - 8.2-14.8 HB3 LYS 39 - HB3 ARG 17 far 0 56 0 - 9.8-21.7 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (1.59, 1.73, 30.41 ppm; 2.72 A): 4 out of 11 assignments used, quality = 1.00: * HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.5-3.0 3.0=78, 3402/1.8=32...(26) HG3 ARG 84 + HB2 ARG 84 OK 96 100 100 96 2.3-3.0 3.0=78, 3402/1.8=32...(25) HG2 ARG 17 + HB3 ARG 17 OK 44 47 100 95 2.2-3.0 2.9=79, 1.8/1181=15...(24) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 95 2.5-3.0 2.9=79, 1.8/1181=20...(24) HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 4.3-15.9 HB2 LEU 86 - HB2 ARG 84 far 0 81 0 - 4.8-10.2 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.8-10.5 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 7.1-23.6 HG2 ARG 26 - HB3 ARG 17 far 0 41 0 - 7.7-17.4 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 8.5-23.8 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 9.7-21.4 Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (1.59, 1.73, 30.41 ppm; 2.72 A): 4 out of 11 assignments used, quality = 1.00: HG2 ARG 84 + HB2 ARG 84 OK 97 100 100 97 2.5-3.0 3.0=78, 3402/1.8=32...(26) * HG3 ARG 84 + HB2 ARG 84 OK 96 100 100 96 2.3-3.0 3.0=78, 3402/1.8=32...(25) HG2 ARG 17 + HB3 ARG 17 OK 44 47 100 95 2.2-3.0 2.9=79, 1.8/1181=15...(24) HG3 ARG 17 + HB3 ARG 17 OK 43 45 100 95 2.5-3.0 2.9=79, 1.8/1181=20...(24) HB3 LEU 29 - HB3 ARG 17 far 0 68 0 - 4.3-15.9 HB2 LEU 86 - HB2 ARG 84 far 0 81 0 - 4.8-10.2 HG LEU 86 - HB2 ARG 84 far 0 100 0 - 5.8-10.5 HD3 LYS 32 - HB3 ARG 17 far 0 58 0 - 7.1-23.6 HG2 ARG 26 - HB3 ARG 17 far 0 41 0 - 7.7-17.4 HD2 LYS 32 - HB3 ARG 17 far 0 62 0 - 8.5-23.8 HD3 LYS 39 - HB3 ARG 17 far 0 70 0 - 9.7-21.4 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (3.15, 1.73, 30.41 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.8 3.5=100 HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.1-4.2 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 68 68 100 100 2.2-3.8 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 0 100 0 - 7.1-12.3 HD3 ARG 26 - HB3 ARG 17 far 0 41 0 - 7.8-17.3 HD2 ARG 26 - HB3 ARG 17 far 0 43 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (3.15, 1.73, 30.41 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 84 + HB2 ARG 84 OK 100 100 100 100 2.3-3.8 3.5=100 HD2 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.1-4.2 3.6=100 HD3 ARG 17 + HB3 ARG 17 OK 70 70 100 100 2.2-3.8 3.6=100 HD2 ARG 82 - HB2 ARG 84 far 0 100 0 - 7.1-12.3 HD3 ARG 26 - HB3 ARG 17 far 0 45 0 - 7.8-17.3 HD2 ARG 26 - HB3 ARG 17 far 0 47 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 3384 from cnoeabs.peaks (4.18, 1.80, 30.41 ppm; 4.10 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 78 - HB3 ARG 84 far 4 78 5 - 4.3-16.5 HB THR 15 - HB3 LYS 32 far 2 38 5 - 3.3-27.9 HB THR 15 - HB2 LYS 32 far 0 38 0 - 4.4-28.6 HA GLN 79 - HB3 ARG 84 far 0 95 0 - 5.3-16.6 HA LEU 29 - HB3 LYS 32 far 0 29 0 - 5.4-5.9 HA LEU 29 - HB2 LYS 32 far 0 29 0 - 6.0-6.5 HB THR 15 - HB2 PRO 34 far 0 56 0 - 6.1-23.1 HA ARG 82 - HB3 ARG 84 far 0 99 0 - 6.2-9.6 HA LEU 29 - HB2 PRO 34 far 0 44 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (1.73, 1.80, 30.41 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 83 - HB3 ARG 84 far 0 98 0 - 4.6-7.6 HB3 LYS 85 - HB3 ARG 84 far 0 100 0 - 4.6-6.8 HB3 ARG 17 - HB3 LYS 32 far 0 38 0 - 6.2-21.2 HB2 LEU 29 - HB3 LYS 32 far 0 45 0 - 7.0-7.6 HB3 ARG 17 - HB2 LYS 32 far 0 38 0 - 7.4-21.8 HB3 ARG 17 - HB2 PRO 34 far 0 56 0 - 7.5-19.5 HB2 LEU 29 - HB2 LYS 32 far 0 45 0 - 7.6-8.3 HB3 LEU 64 - HB2 LYS 32 far 0 23 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (1.80, 1.80, 30.41 ppm; diagonal): 4 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): 6 out of 22 assignments used, quality = 1.00: * HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3402=35...(38) HG3 ARG 84 + HB3 ARG 84 OK 99 100 100 99 2.5-3.0 3.0=95, 1.8/3402=36...(35) HD3 LYS 32 + HB3 LYS 32 OK 24 36 70 95 2.2-3.7 3.5=58, ~1558=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 21 38 60 94 2.0-3.8 3.5=58, ~1558=12...(46) HD2 LYS 32 + HB3 LYS 32 OK 21 38 60 94 2.1-3.9 3.5=58, ~1558=12...(46) HD3 LYS 32 + HB2 LYS 32 OK 20 36 60 94 2.0-4.0 3.5=58, ~1558=12...(47) HB2 LEU 86 - HB3 ARG 84 far 0 81 0 - 5.3-9.6 HG LEU 86 - HB3 ARG 84 far 0 100 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 6.3-22.4 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.4-20.6 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 7.4-8.0 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 7.5-10.2 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 7.9-11.7 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 8.1-8.7 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.7-21.5 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 9.3-11.2 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (1.59, 1.80, 30.41 ppm; 2.90 A): 6 out of 22 assignments used, quality = 1.00: HG2 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.0 3.0=95, 1.8/3402=35...(38) * HG3 ARG 84 + HB3 ARG 84 OK 99 100 100 99 2.5-3.0 3.0=95, 1.8/3402=36...(35) HD3 LYS 32 + HB3 LYS 32 OK 24 36 70 95 2.2-3.7 3.5=58, ~1558=12...(47) HD2 LYS 32 + HB2 LYS 32 OK 21 38 60 94 2.0-3.8 3.5=58, ~1558=12...(46) HD2 LYS 32 + HB3 LYS 32 OK 21 38 60 94 2.1-3.9 3.5=58, ~1558=12...(46) HD3 LYS 32 + HB2 LYS 32 OK 20 36 60 94 2.0-4.0 3.5=58, ~1558=12...(47) HB2 LEU 86 - HB3 ARG 84 far 0 81 0 - 5.3-9.6 HG LEU 86 - HB3 ARG 84 far 0 100 0 - 6.0-10.1 HG3 ARG 17 - HB3 LYS 32 far 0 27 0 - 6.3-22.4 HG2 ARG 17 - HB2 PRO 34 far 0 42 0 - 7.1-20.4 HG2 ARG 17 - HB3 LYS 32 far 0 28 0 - 7.3-20.7 HG3 ARG 17 - HB2 PRO 34 far 0 40 0 - 7.4-20.6 HB3 LEU 29 - HB3 LYS 32 far 0 42 0 - 7.4-8.0 HD3 LYS 39 - HB2 PRO 34 far 0 64 0 - 7.5-10.2 HG3 ARG 17 - HB2 LYS 32 far 0 27 0 - 7.7-23.1 HD2 LYS 39 - HB2 PRO 34 far 0 65 0 - 7.9-11.7 HB3 LEU 29 - HB2 LYS 32 far 0 42 0 - 8.1-8.7 HD3 LYS 32 - HB2 PRO 34 far 0 53 0 - 8.2-11.7 HD2 LYS 32 - HB2 PRO 34 far 0 56 0 - 8.2-11.7 HG2 ARG 17 - HB2 LYS 32 far 0 28 0 - 8.7-21.5 HG3 ARG 54 - HB2 PRO 34 far 0 56 0 - 9.3-11.2 HB3 LEU 51 - HB2 PRO 34 far 0 68 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (3.15, 1.80, 30.41 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.7 3.5=100 * HD2 ARG 84 + HB3 ARG 84 OK 90 100 90 100 2.1-4.2 3.5=100 HD3 ARG 17 - HB3 LYS 32 far 0 42 0 - 4.9-22.1 HD2 ARG 17 - HB3 LYS 32 far 0 42 0 - 4.9-21.8 HD2 ARG 17 - HB2 PRO 34 far 0 62 0 - 6.1-19.5 HD3 ARG 17 - HB2 LYS 32 far 0 42 0 - 6.2-23.0 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 6.4-11.6 HD2 ARG 17 - HB2 LYS 32 far 0 42 0 - 6.5-22.6 HD3 ARG 17 - HB2 PRO 34 far 0 62 0 - 7.7-21.1 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (3.15, 1.80, 30.41 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 100 100 100 100 2.3-3.7 3.5=100 HD2 ARG 84 + HB3 ARG 84 OK 90 100 90 100 2.1-4.2 3.5=100 HD3 ARG 17 - HB3 LYS 32 far 0 44 0 - 4.9-22.1 HD2 ARG 17 - HB3 LYS 32 far 0 44 0 - 4.9-21.8 HD2 ARG 17 - HB2 PRO 34 far 0 64 0 - 6.1-19.5 HD3 ARG 17 - HB2 LYS 32 far 0 44 0 - 6.2-23.0 HD2 ARG 82 - HB3 ARG 84 far 0 100 0 - 6.4-11.6 HD2 ARG 17 - HB2 LYS 32 far 0 44 0 - 6.5-22.6 HD3 ARG 17 - HB2 PRO 34 far 0 64 0 - 7.7-21.1 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.92 A): 2 out of 22 assignments used, quality = 1.00: * HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.2 3.9=100 HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.8 3.9=100 HB THR 15 - HG2 ARG 17 poor 12 46 25 - 4.1-8.8 HA GLN 79 - HG2 ARG 84 far 5 95 5 - 2.7-14.8 HA GLN 79 - HG3 ARG 84 far 5 95 5 - 4.3-14.2 HA ARG 82 - HG LEU 86 far 3 67 5 - 4.6-16.0 HB THR 15 - HG3 ARG 17 far 2 44 5 - 3.8-9.9 HA LEU 29 - HG3 ARG 17 far 2 34 5 - 4.2-18.6 HA ARG 82 - HG3 ARG 84 far 0 99 0 - 5.4-9.5 HA LEU 29 - HG2 ARG 17 far 0 36 0 - 5.6-16.9 HA ARG 82 - HG2 ARG 84 far 0 99 0 - 5.6-8.9 HA ALA 53 - HG3 ARG 54 far 0 59 0 - 5.8-6.6 HA ALA 53 - HG LEU 62 far 0 27 0 - 6.0-8.2 HA ARG 84 - HG LEU 86 far 0 71 0 - 6.3-10.0 HA ALA 78 - HG2 ARG 84 far 0 78 0 - 6.4-15.2 HA ILE 89 - HG LEU 86 far 0 60 0 - 6.5-12.8 HA ALA 78 - HG3 ARG 84 far 0 78 0 - 7.1-14.5 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.2-10.0 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 7.7-9.5 HA GLN 79 - HG LEU 86 far 0 62 0 - 7.9-23.5 HB THR 15 - HG LEU 86 far 0 57 0 - 8.1-65.0 HA ALA 78 - HG LEU 86 far 0 48 0 - 9.0-23.2 Violated in 0 structures by 0.00 A. Peak 3393 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 5 out of 24 assignments used, quality = 0.97: HB2 ARG 84 + HG3 ARG 84 OK 76 100 85 89 2.3-3.0 3.0=59, 3379/1.8=19...(26) HG2 ARG 70 + HG3 ARG 70 OK 57 57 100 100 1.8-1.8 1.8=100 HG3 ARG 26 + HG2 ARG 26 OK 36 36 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG2 ARG 17 OK 28 46 70 88 2.2-3.0 2.9=59, 1167/1.8=12...(21) * HB2 ARG 84 + HG2 ARG 84 OK 27 100 30 89 2.5-3.0 3.0=59, 3379/1.8=18...(25) HB3 ARG 17 - HG3 ARG 17 poor 20 44 50 89 2.5-3.0 2.9=59, 1167/1.8=21...(21) HG3 ARG 71 - HG3 ARG 70 far 2 44 5 - 2.6-8.1 HB2 LEU 62 - HG LEU 62 far 1 28 5 - 2.8-2.9 HB3 LYS 83 - HG2 ARG 84 far 0 98 0 - 3.0-7.2 HB3 LYS 83 - HG3 ARG 84 far 0 98 0 - 3.6-7.8 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 4.3-19.5 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 4.4-13.7 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 5.0-17.7 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.2-8.5 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.6-8.7 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.8-10.5 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 5.9-8.0 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 6.2-8.6 HB3 ARG 17 - HG2 ARG 26 far 0 43 0 - 7.7-17.4 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 8.4-18.4 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 8.9-18.2 HB3 LEU 64 - HG2 ARG 26 far 0 26 0 - 9.4-13.4 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.5-13.2 HG3 ARG 71 - HG2 ARG 26 far 0 32 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (1.80, 1.59, 27.31 ppm; 2.75 A): 2 out of 26 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 97 100 100 97 2.3-3.0 3.0=81, 1.8/3379=23...(35) HB3 ARG 84 + HG3 ARG 84 OK 97 100 100 97 2.5-3.0 3.0=81, 1.8/3379=23...(34) HB2 ARG 69 - HG3 ARG 70 far 0 73 0 - 4.0-8.1 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 4.5-7.7 HB2 LYS 83 - HG2 ARG 84 far 0 81 0 - 4.6-8.1 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 4.7-8.2 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 4.9-13.4 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.1-8.7 HB2 LYS 83 - HG3 ARG 84 far 0 81 0 - 5.2-7.9 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 5.3-8.7 HB2 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB3 ARG 84 - HG LEU 86 far 0 71 0 - 6.0-10.1 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 6.3-22.4 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 7.1-20.4 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 7.3-20.7 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.4-20.6 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 7.4-14.9 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 7.7-23.1 HB ILE 89 - HG LEU 86 far 0 50 0 - 7.8-13.6 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 8.1-11.9 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.7-21.5 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.8-15.1 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 9.3-11.2 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.4-23.2 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.4-22.6 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 9 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): 9 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): 10 out of 28 assignments used, quality = 1.00: HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 29 29 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 2 36 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 70 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 47 0 - 4.8-18.2 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 47 0 - 5.4-19.5 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 6.7-19.8 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 8.6-19.6 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 8.9-12.9 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.2-13.0 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 3398 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 10 out of 28 assignments used, quality = 1.00: * HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 32 32 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 2 39 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 69 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 49 0 - 4.8-18.2 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 49 0 - 5.4-19.5 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 6.7-19.8 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 8.6-19.6 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 8.9-12.9 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.2-13.0 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (4.18, 1.59, 27.31 ppm; 4.92 A): 2 out of 22 assignments used, quality = 1.00: HA ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-4.2 3.9=100 * HA ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.8 3.9=100 HB THR 15 - HG2 ARG 17 poor 12 46 25 - 4.1-8.8 HA GLN 79 - HG2 ARG 84 far 5 95 5 - 2.7-14.8 HA GLN 79 - HG3 ARG 84 far 5 95 5 - 4.3-14.2 HA ARG 82 - HG LEU 86 far 3 67 5 - 4.6-16.0 HB THR 15 - HG3 ARG 17 far 2 44 5 - 3.8-9.9 HA LEU 29 - HG3 ARG 17 far 2 34 5 - 4.2-18.6 HA ARG 82 - HG3 ARG 84 far 0 99 0 - 5.4-9.5 HA LEU 29 - HG2 ARG 17 far 0 36 0 - 5.6-16.9 HA ARG 82 - HG2 ARG 84 far 0 99 0 - 5.6-8.9 HA ALA 53 - HG3 ARG 54 far 0 59 0 - 5.8-6.6 HA ALA 53 - HG LEU 62 far 0 27 0 - 6.0-8.2 HA ARG 84 - HG LEU 86 far 0 71 0 - 6.3-10.0 HA ALA 78 - HG2 ARG 84 far 0 78 0 - 6.4-15.2 HA ILE 89 - HG LEU 86 far 0 60 0 - 6.5-12.8 HA ALA 78 - HG3 ARG 84 far 0 78 0 - 7.1-14.5 HA LYS 73 - HG3 ARG 70 far 0 71 0 - 7.2-10.0 HA LEU 29 - HG2 ARG 26 far 0 33 0 - 7.7-9.5 HA GLN 79 - HG LEU 86 far 0 62 0 - 7.9-23.5 HB THR 15 - HG LEU 86 far 0 57 0 - 8.1-65.0 HA ALA 78 - HG LEU 86 far 0 48 0 - 9.0-23.2 Violated in 0 structures by 0.00 A. Peak 3401 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 2.47 A): 5 out of 24 assignments used, quality = 0.97: * HB2 ARG 84 + HG3 ARG 84 OK 76 100 85 89 2.3-3.0 3.0=59, 3379/1.8=19...(26) HG2 ARG 70 + HG3 ARG 70 OK 57 57 100 100 1.8-1.8 1.8=100 HG3 ARG 26 + HG2 ARG 26 OK 36 36 100 100 1.8-1.8 1.8=100 HB3 ARG 17 + HG2 ARG 17 OK 28 46 70 88 2.2-3.0 2.9=59, 1167/1.8=12...(21) HB2 ARG 84 + HG2 ARG 84 OK 27 100 30 89 2.5-3.0 3.0=59, 3379/1.8=18...(25) HB3 ARG 17 - HG3 ARG 17 poor 20 44 50 89 2.5-3.0 2.9=59, 1167/1.8=21...(21) HG3 ARG 71 - HG3 ARG 70 far 2 44 5 - 2.6-8.1 HB2 LEU 62 - HG LEU 62 far 1 28 5 - 2.8-2.9 HB3 LYS 83 - HG2 ARG 84 far 0 98 0 - 3.0-7.2 HB3 LYS 83 - HG3 ARG 84 far 0 98 0 - 3.6-7.8 HB2 LEU 29 - HG3 ARG 17 far 0 52 0 - 4.3-19.5 HB3 LYS 83 - HG LEU 86 far 0 67 0 - 4.4-13.7 HB2 LEU 29 - HG2 ARG 17 far 0 54 0 - 5.0-17.7 HB3 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.2-8.5 HB3 LYS 85 - HG LEU 86 far 0 70 0 - 5.6-8.7 HB2 ARG 84 - HG LEU 86 far 0 71 0 - 5.8-10.5 HB2 LEU 29 - HG2 ARG 26 far 0 50 0 - 5.9-8.0 HB3 LYS 85 - HG2 ARG 84 far 0 100 0 - 6.2-8.6 HB3 ARG 17 - HG2 ARG 26 far 0 43 0 - 7.7-17.4 HG3 ARG 26 - HG3 ARG 17 far 0 37 0 - 8.4-18.4 HG3 ARG 26 - HG2 ARG 17 far 0 39 0 - 8.9-18.2 HB3 LEU 64 - HG2 ARG 26 far 0 26 0 - 9.4-13.4 HB2 LEU 43 - HG3 ARG 54 far 0 81 0 - 9.5-13.2 HG3 ARG 71 - HG2 ARG 26 far 0 32 0 - 9.6-17.2 Violated in 0 structures by 0.00 A. Peak 3402 from cnoeabs.peaks (1.80, 1.59, 27.31 ppm; 2.75 A): 2 out of 26 assignments used, quality = 1.00: HB3 ARG 84 + HG2 ARG 84 OK 97 100 100 97 2.3-3.0 3.0=81, 1.8/3379=23...(35) * HB3 ARG 84 + HG3 ARG 84 OK 97 100 100 97 2.5-3.0 3.0=81, 1.8/3379=23...(34) HB2 ARG 69 - HG3 ARG 70 far 0 73 0 - 4.0-8.1 HB2 LYS 73 - HG3 ARG 70 far 0 53 0 - 4.5-7.7 HB2 LYS 83 - HG2 ARG 84 far 0 81 0 - 4.6-8.1 HB2 LYS 85 - HG2 ARG 84 far 0 100 0 - 4.7-8.2 HB2 LYS 83 - HG LEU 86 far 0 50 0 - 4.9-13.4 HB3 LYS 73 - HG3 ARG 70 far 0 44 0 - 5.1-8.7 HB2 LYS 83 - HG3 ARG 84 far 0 81 0 - 5.2-7.9 HB2 LYS 85 - HG LEU 86 far 0 71 0 - 5.3-8.7 HB2 LYS 85 - HG3 ARG 84 far 0 100 0 - 5.7-8.6 HB3 ARG 84 - HG LEU 86 far 0 71 0 - 6.0-10.1 HB3 LYS 32 - HG3 ARG 17 far 0 27 0 - 6.3-22.4 HB2 PRO 34 - HG2 ARG 17 far 0 37 0 - 7.1-20.4 HB3 LYS 32 - HG2 ARG 17 far 0 28 0 - 7.3-20.7 HB2 PRO 34 - HG3 ARG 17 far 0 36 0 - 7.4-20.6 HB2 LYS 13 - HG2 ARG 17 far 0 51 0 - 7.4-14.9 HB2 LYS 32 - HG3 ARG 17 far 0 27 0 - 7.7-23.1 HB ILE 89 - HG LEU 86 far 0 50 0 - 7.8-13.6 HB3 LYS 75 - HG3 ARG 70 far 0 62 0 - 8.1-11.9 HB2 LYS 32 - HG2 ARG 17 far 0 28 0 - 8.7-21.5 HB2 LYS 13 - HG3 ARG 17 far 0 49 0 - 8.8-15.1 HB2 PRO 34 - HG3 ARG 54 far 0 55 0 - 9.3-11.2 HB3 LYS 39 - HG2 ARG 17 far 0 42 0 - 9.4-23.2 HB3 LYS 39 - HG3 ARG 17 far 0 40 0 - 9.4-22.6 HB2 ARG 69 - HG LEU 62 far 0 40 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 9 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): 9 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): 10 out of 28 assignments used, quality = 1.00: * HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 29 29 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 28 28 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 2 36 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 41 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 36 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 70 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 41 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 47 0 - 4.8-18.2 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 47 0 - 5.4-19.5 HD3 ARG 26 - HG3 ARG 17 far 0 28 0 - 6.7-19.8 HD3 ARG 26 - HG2 ARG 17 far 0 30 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 30 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 31 0 - 8.6-19.6 HB2 PHE 48 - HG3 ARG 70 far 0 48 0 - 8.9-12.9 HB2 PHE 48 - HG3 ARG 54 far 0 55 0 - 9.2-13.0 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 3406 from cnoeabs.peaks (3.15, 1.59, 27.31 ppm; 3.30 A): 10 out of 28 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 * HD3 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.3-3.0 3.0=100 HD2 ARG 17 + HG2 ARG 17 OK 53 53 100 100 2.4-3.0 3.0=100 HD2 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.2-3.0 3.0=100 HD3 ARG 17 + HG3 ARG 17 OK 51 51 100 100 2.4-3.0 3.0=100 HD2 ARG 26 + HG2 ARG 26 OK 32 32 100 100 2.2-3.0 3.0=100 HD3 ARG 26 + HG2 ARG 26 OK 30 30 100 100 2.3-3.0 3.0=100 HD3 ARG 27 - HG2 ARG 26 far 2 39 5 - 2.5-10.1 HD2 ARG 23 - HG2 ARG 26 far 0 44 0 - 3.6-11.0 HD2 ARG 27 - HG2 ARG 26 far 0 39 0 - 3.7-9.6 HD2 ARG 71 - HG3 ARG 70 far 0 69 0 - 4.2-9.7 HD2 ARG 84 - HG LEU 86 far 0 71 0 - 4.2-12.5 HD3 ARG 84 - HG LEU 86 far 0 71 0 - 4.3-12.2 HD2 ARG 82 - HG2 ARG 84 far 0 100 0 - 4.6-12.0 HD3 ARG 23 - HG2 ARG 26 far 0 44 0 - 4.8-10.4 HD2 ARG 17 - HG2 ARG 26 far 0 49 0 - 4.8-18.2 HD2 ARG 82 - HG3 ARG 84 far 0 100 0 - 5.4-13.3 HD3 ARG 17 - HG2 ARG 26 far 0 49 0 - 5.4-19.5 HD3 ARG 26 - HG3 ARG 17 far 0 31 0 - 6.7-19.8 HD3 ARG 26 - HG2 ARG 17 far 0 33 0 - 7.6-18.6 HD2 ARG 26 - HG3 ARG 17 far 0 33 0 - 7.7-19.8 HD2 ARG 26 - HG2 ARG 17 far 0 34 0 - 8.6-19.6 HB2 PHE 48 - HG3 ARG 70 far 0 44 0 - 8.9-12.9 HB2 PHE 48 - HG3 ARG 54 far 0 50 0 - 9.2-13.0 HD2 ARG 82 - HG LEU 86 far 0 71 0 - 9.3-19.3 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (1.73, 3.15, 43.10 ppm; 3.01 A): 7 out of 39 assignments used, quality = 0.99: HG3 ARG 71 + HD2 ARG 71 OK 68 68 100 100 2.3-3.0 3.0=100 * HB2 ARG 84 + HD2 ARG 84 OK 55 100 60 92 2.3-3.8 3.5=63, 3380/2.9=19...(21) HB2 ARG 84 + HD3 ARG 84 OK 50 100 55 92 2.1-4.2 3.5=63, 3380/2.9=19...(21) HG3 ARG 26 + HD2 ARG 26 OK 44 44 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 42 42 100 100 2.3-3.0 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 41 80 55 93 2.1-4.2 3.6=59, 1167/3.0=21...(23) HB3 ARG 17 + HD3 ARG 17 OK 37 80 50 93 2.2-3.8 3.6=59, 1167/3.0=21...(23) HG2 ARG 70 - HD2 ARG 71 far 4 84 5 - 2.9-8.7 HG3 ARG 26 - HD3 ARG 27 far 0 54 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 62 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 62 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 100 0 - 4.5-9.3 HB3 LEU 64 - HD2 ARG 27 far 0 40 0 - 4.5-7.9 HB3 LYS 83 - HD3 ARG 84 far 0 98 0 - 4.8-9.0 HB3 LEU 64 - HD3 ARG 27 far 0 40 0 - 4.8-8.3 HB2 LEU 29 - HD3 ARG 26 far 0 58 0 - 5.1-8.6 HG3 ARG 26 - HD2 ARG 27 far 0 54 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 100 0 - 5.2-10.1 HB3 LYS 83 - HD2 ARG 84 far 0 98 0 - 5.2-8.9 HB2 LEU 29 - HD3 ARG 17 far 0 90 0 - 5.3-18.8 HB2 LEU 29 - HD2 ARG 26 far 0 61 0 - 5.4-9.7 HG3 ARG 71 - HD2 ARG 27 far 0 48 0 - 5.6-11.1 HB2 LEU 29 - HD2 ARG 17 far 0 90 0 - 5.7-18.1 HG3 ARG 71 - HD3 ARG 27 far 0 48 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 69 0 - 6.1-17.7 HG3 ARG 26 - HD3 ARG 17 far 0 69 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 98 0 - 7.1-12.3 HB3 LYS 83 - HD2 ARG 82 far 0 95 0 - 7.2-9.8 HG3 ARG 71 - HD2 ARG 23 far 0 55 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 50 0 - 7.8-17.3 HG3 ARG 71 - HD3 ARG 23 far 0 55 0 - 8.5-14.7 HG2 ARG 70 - HD3 ARG 27 far 0 62 0 - 8.7-14.9 HB2 LEU 29 - HD3 ARG 27 far 0 73 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 73 0 - 8.7-11.5 HG2 ARG 70 - HD2 ARG 27 far 0 62 0 - 8.8-14.8 HB3 ARG 17 - HD2 ARG 26 far 0 52 0 - 9.2-17.6 HG3 ARG 26 - HD2 ARG 71 far 0 76 0 - 9.7-17.0 HB3 LEU 64 - HD2 ARG 71 far 0 58 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.60 A increased from 3.03 A): 2 out of 26 assignments used, quality = 1.00: HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.7 3.5=100 * HB3 ARG 84 + HD2 ARG 84 OK 90 100 90 100 2.1-4.2 3.5=100 HB2 LYS 85 - HD3 ARG 84 far 5 100 5 - 2.9-9.5 HB3 LYS 75 - HD2 ARG 71 far 4 89 5 - 3.7-9.1 HB2 LYS 85 - HD2 ARG 84 far 0 100 0 - 4.2-9.0 HB3 LYS 32 - HD3 ARG 17 far 0 52 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 52 0 - 4.9-21.8 HB2 LYS 83 - HD3 ARG 84 far 0 80 0 - 5.3-9.2 HB2 PRO 34 - HD2 ARG 17 far 0 67 0 - 6.1-19.5 HB2 LYS 32 - HD3 ARG 17 far 0 52 0 - 6.2-23.0 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.4-14.1 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 6.4-9.0 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 6.4-11.6 HB2 LYS 13 - HD3 ARG 17 far 0 86 0 - 6.5-16.1 HB2 LYS 32 - HD2 ARG 17 far 0 52 0 - 6.5-22.6 HB2 LYS 83 - HD2 ARG 84 far 0 81 0 - 6.7-9.1 HB2 LYS 73 - HD2 ARG 71 far 0 80 0 - 6.8-9.8 HB3 LYS 73 - HD2 ARG 71 far 0 68 0 - 7.5-10.3 HB2 PRO 34 - HD3 ARG 17 far 0 67 0 - 7.7-21.1 HB2 LYS 13 - HD2 ARG 17 far 0 86 0 - 8.1-15.1 HB3 LYS 75 - HD3 ARG 23 far 0 75 0 - 8.4-16.4 HB3 LYS 39 - HD3 ARG 17 far 0 74 0 - 8.5-24.6 HB2 ARG 69 - HD2 ARG 71 far 0 99 0 - 8.6-10.6 HB3 LYS 39 - HD2 ARG 17 far 0 74 0 - 8.7-23.7 HB3 LYS 75 - HD2 ARG 23 far 0 75 0 - 9.2-16.3 HB3 LYS 75 - HD2 ARG 27 far 0 66 0 - 9.3-17.4 Violated in 0 structures by 0.00 A. Peak 3411 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 11 out of 50 assignments used, quality = 1.00: HG3 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) * HG2 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG3 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 71 + HD2 ARG 71 OK 62 66 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(16) HG2 ARG 17 + HD3 ARG 17 OK 59 62 100 95 2.3-3.0 3.0=88, 2.9/1160=11...(22) HG2 ARG 17 + HD2 ARG 17 OK 59 62 100 95 2.4-3.0 3.0=88, 2.9/1160=13...(22) HG3 ARG 17 + HD3 ARG 17 OK 57 60 100 95 2.4-3.0 3.0=88, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 57 60 100 95 2.2-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 94 2.2-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 - HD3 ARG 27 far 2 42 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 82 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 4.3-12.2 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 4.4-17.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 81 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 55 0 - 4.8-18.2 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 5.3-10.5 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 55 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 5.4-24.6 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.6-16.4 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.7-8.9 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 5.8-10.0 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 5.9-25.0 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 6.1-12.0 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 6.7-19.8 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 7.7-19.8 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 7.9-23.4 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 8.0-13.5 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 8.1-24.3 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 8.7-13.5 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.9-11.4 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 9.0-11.7 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.4-12.5 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 9.4-24.0 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 3412 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 11 out of 50 assignments used, quality = 1.00: * HG3 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG3 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 71 + HD2 ARG 71 OK 62 66 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(16) HG2 ARG 17 + HD3 ARG 17 OK 59 62 100 95 2.3-3.0 3.0=88, 2.9/1160=11...(22) HG2 ARG 17 + HD2 ARG 17 OK 59 62 100 95 2.4-3.0 3.0=88, 2.9/1160=13...(22) HG3 ARG 17 + HD3 ARG 17 OK 57 60 100 95 2.4-3.0 3.0=88, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 57 60 100 95 2.2-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 26 + HD2 ARG 26 OK 32 34 100 94 2.2-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 + HD3 ARG 26 OK 31 32 100 95 2.3-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 - HD3 ARG 27 far 2 42 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 48 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 42 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 82 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 46 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 4.3-12.2 HB3 LEU 29 - HD3 ARG 17 far 0 86 0 - 4.4-17.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 81 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 48 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 55 0 - 4.8-18.2 HG2 ARG 71 - HD3 ARG 27 far 0 46 0 - 5.3-10.5 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 55 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 80 0 - 5.4-24.6 HB3 LEU 29 - HD2 ARG 17 far 0 86 0 - 5.6-16.4 HB3 LEU 29 - HD3 ARG 26 far 0 55 0 - 5.7-8.9 HB3 LEU 29 - HD2 ARG 26 far 0 57 0 - 5.8-10.0 HD2 LYS 32 - HD3 ARG 17 far 0 80 0 - 5.9-25.0 HB2 LEU 86 - HD3 ARG 84 far 0 80 0 - 6.1-12.0 HD3 LYS 32 - HD2 ARG 17 far 0 76 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 36 0 - 6.7-19.8 HD3 LYS 32 - HD3 ARG 17 far 0 76 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 37 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 37 0 - 7.7-19.8 HD3 LYS 39 - HD2 ARG 17 far 0 89 0 - 7.9-23.4 HG2 ARG 71 - HD2 ARG 23 far 0 53 0 - 8.0-13.5 HD3 LYS 39 - HD3 ARG 17 far 0 89 0 - 8.1-24.3 HG2 ARG 17 - HD2 ARG 26 far 0 39 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 86 0 - 8.7-13.5 HB3 LEU 29 - HD2 ARG 27 far 0 69 0 - 8.9-11.4 HB3 LEU 29 - HD3 ARG 27 far 0 69 0 - 9.0-11.7 HG2 ARG 71 - HD3 ARG 23 far 0 53 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 86 0 - 9.4-12.5 HD2 LYS 39 - HD2 ARG 17 far 0 90 0 - 9.4-24.0 HD2 LYS 39 - HD3 ARG 17 far 0 90 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 12 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): 12 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; 3.01 A): 7 out of 39 assignments used, quality = 0.99: HG3 ARG 71 + HD2 ARG 71 OK 67 67 100 100 2.3-3.0 3.0=100 HB2 ARG 84 + HD2 ARG 84 OK 55 100 60 92 2.3-3.8 3.5=63, 3380/2.9=19...(21) * HB2 ARG 84 + HD3 ARG 84 OK 51 100 55 92 2.1-4.2 3.5=63, 3380/2.9=19...(21) HG3 ARG 26 + HD2 ARG 26 OK 48 48 100 100 2.2-3.0 3.0=100 HG3 ARG 26 + HD3 ARG 26 OK 46 46 100 100 2.3-3.0 3.0=100 HB3 ARG 17 + HD2 ARG 17 OK 42 82 55 93 2.1-4.2 3.6=59, 1167/3.0=21...(23) HB3 ARG 17 + HD3 ARG 17 OK 38 82 50 93 2.2-3.8 3.6=59, 1167/3.0=21...(23) HG2 ARG 70 - HD2 ARG 71 far 4 83 5 - 2.9-8.7 HG3 ARG 26 - HD3 ARG 27 far 0 58 0 - 3.8-9.2 HG3 ARG 26 - HD3 ARG 23 far 0 65 0 - 3.9-9.4 HG3 ARG 26 - HD2 ARG 23 far 0 65 0 - 4.4-9.5 HB3 LYS 85 - HD3 ARG 84 far 0 100 0 - 4.5-9.3 HB3 LEU 64 - HD2 ARG 27 far 0 43 0 - 4.5-7.9 HB3 LYS 83 - HD3 ARG 84 far 0 98 0 - 4.8-9.0 HB3 LEU 64 - HD3 ARG 27 far 0 43 0 - 4.8-8.3 HB2 LEU 29 - HD3 ARG 26 far 0 63 0 - 5.1-8.6 HG3 ARG 26 - HD2 ARG 27 far 0 58 0 - 5.2-9.2 HB3 LYS 85 - HD2 ARG 84 far 0 100 0 - 5.2-10.1 HB3 LYS 83 - HD2 ARG 84 far 0 98 0 - 5.2-8.9 HB2 LEU 29 - HD3 ARG 17 far 0 92 0 - 5.3-18.8 HB2 LEU 29 - HD2 ARG 26 far 0 66 0 - 5.4-9.7 HG3 ARG 71 - HD2 ARG 27 far 0 52 0 - 5.6-11.1 HB2 LEU 29 - HD2 ARG 17 far 0 92 0 - 5.7-18.1 HG3 ARG 71 - HD3 ARG 27 far 0 52 0 - 6.0-11.3 HB3 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.1-14.2 HG3 ARG 26 - HD2 ARG 17 far 0 72 0 - 6.1-17.7 HG3 ARG 26 - HD3 ARG 17 far 0 72 0 - 6.7-18.9 HB2 ARG 84 - HD2 ARG 82 far 0 98 0 - 7.1-12.3 HB3 LYS 83 - HD2 ARG 82 far 0 95 0 - 7.2-9.8 HG3 ARG 71 - HD2 ARG 23 far 0 58 0 - 7.7-14.7 HB3 ARG 17 - HD3 ARG 26 far 0 54 0 - 7.8-17.3 HG3 ARG 71 - HD3 ARG 23 far 0 58 0 - 8.5-14.7 HG2 ARG 70 - HD3 ARG 27 far 0 66 0 - 8.7-14.9 HB2 LEU 29 - HD3 ARG 27 far 0 77 0 - 8.7-11.7 HB2 LEU 29 - HD2 ARG 27 far 0 77 0 - 8.7-11.5 HG2 ARG 70 - HD2 ARG 27 far 0 66 0 - 8.8-14.8 HB3 ARG 17 - HD2 ARG 26 far 0 57 0 - 9.2-17.6 HG3 ARG 26 - HD2 ARG 71 far 0 74 0 - 9.7-17.0 HB3 LEU 64 - HD2 ARG 71 far 0 56 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3418 from cnoeabs.peaks (1.80, 3.15, 43.10 ppm; 3.60 A increased from 3.03 A): 2 out of 26 assignments used, quality = 1.00: * HB3 ARG 84 + HD3 ARG 84 OK 100 100 100 100 2.3-3.7 3.5=100 HB3 ARG 84 + HD2 ARG 84 OK 90 100 90 100 2.1-4.2 3.5=100 HB2 LYS 85 - HD3 ARG 84 far 5 100 5 - 2.9-9.5 HB3 LYS 75 - HD2 ARG 71 far 4 88 5 - 3.7-9.1 HB2 LYS 85 - HD2 ARG 84 far 0 100 0 - 4.2-9.0 HB3 LYS 32 - HD3 ARG 17 far 0 54 0 - 4.9-22.1 HB3 LYS 32 - HD2 ARG 17 far 0 54 0 - 4.9-21.8 HB2 LYS 83 - HD3 ARG 84 far 0 81 0 - 5.3-9.2 HB2 PRO 34 - HD2 ARG 17 far 0 70 0 - 6.1-19.5 HB2 LYS 32 - HD3 ARG 17 far 0 54 0 - 6.2-23.0 HB2 LYS 85 - HD2 ARG 82 far 0 98 0 - 6.4-14.1 HB2 LYS 83 - HD2 ARG 82 far 0 76 0 - 6.4-9.0 HB3 ARG 84 - HD2 ARG 82 far 0 98 0 - 6.4-11.6 HB2 LYS 13 - HD3 ARG 17 far 0 89 0 - 6.5-16.1 HB2 LYS 32 - HD2 ARG 17 far 0 54 0 - 6.5-22.6 HB2 LYS 83 - HD2 ARG 84 far 0 80 0 - 6.7-9.1 HB2 LYS 73 - HD2 ARG 71 far 0 78 0 - 6.8-9.8 HB3 LYS 73 - HD2 ARG 71 far 0 67 0 - 7.5-10.3 HB2 PRO 34 - HD3 ARG 17 far 0 70 0 - 7.7-21.1 HB2 LYS 13 - HD2 ARG 17 far 0 89 0 - 8.1-15.1 HB3 LYS 75 - HD3 ARG 23 far 0 78 0 - 8.4-16.4 HB3 LYS 39 - HD3 ARG 17 far 0 76 0 - 8.5-24.6 HB2 ARG 69 - HD2 ARG 71 far 0 98 0 - 8.6-10.6 HB3 LYS 39 - HD2 ARG 17 far 0 76 0 - 8.7-23.7 HB3 LYS 75 - HD2 ARG 23 far 0 78 0 - 9.2-16.3 HB3 LYS 75 - HD2 ARG 27 far 0 71 0 - 9.3-17.4 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 11 out of 50 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG3 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG3 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 17 + HD3 ARG 17 OK 61 65 100 95 2.3-3.0 3.0=88, 2.9/1160=11...(22) HG2 ARG 17 + HD2 ARG 17 OK 61 65 100 95 2.4-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 71 + HD2 ARG 71 OK 60 64 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(16) HG3 ARG 17 + HD3 ARG 17 OK 59 62 100 95 2.4-3.0 3.0=88, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 59 62 100 95 2.2-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.2-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 - HD3 ARG 27 far 2 45 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 81 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 4.3-12.2 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 4.4-17.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 80 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 57 0 - 4.8-18.2 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 5.3-10.5 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 57 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 5.4-24.6 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.6-16.4 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.7-8.9 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 5.8-10.0 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 5.9-25.0 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 6.1-12.0 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 6.7-19.8 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 7.7-19.8 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 7.9-23.4 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 8.0-13.5 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 8.1-24.3 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 8.7-13.5 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.9-11.4 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 9.0-11.7 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.4-12.5 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 9.4-24.0 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (1.59, 3.15, 43.10 ppm; 2.85 A): 11 out of 50 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) * HG3 ARG 84 + HD3 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG3 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.2-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 84 + HD2 ARG 84 OK 98 100 100 98 2.4-3.0 2.9=96, 3394/3.5=19...(15) HG2 ARG 17 + HD3 ARG 17 OK 61 65 100 95 2.3-3.0 3.0=88, 2.9/1160=11...(22) HG2 ARG 17 + HD2 ARG 17 OK 61 65 100 95 2.4-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 71 + HD2 ARG 71 OK 60 64 100 94 2.3-3.0 3.0=87, 3.8/2937=22...(16) HG3 ARG 17 + HD3 ARG 17 OK 59 62 100 95 2.4-3.0 3.0=88, 2.9/1160=11...(22) HG3 ARG 17 + HD2 ARG 17 OK 59 62 100 95 2.2-3.0 3.0=88, 2.9/1160=13...(22) HG2 ARG 26 + HD2 ARG 26 OK 35 37 100 95 2.2-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 + HD3 ARG 26 OK 34 36 100 95 2.3-3.0 3.0=90, 529/6.1=6...(19) HG2 ARG 26 - HD3 ARG 27 far 2 45 5 - 2.5-10.1 HG2 ARG 26 - HD2 ARG 23 far 0 51 0 - 3.6-11.0 HG2 ARG 26 - HD2 ARG 27 far 0 45 0 - 3.7-9.6 HG3 ARG 70 - HD2 ARG 71 far 0 81 0 - 4.2-9.7 HG LEU 86 - HD2 ARG 84 far 0 100 0 - 4.2-12.5 HG2 ARG 71 - HD2 ARG 27 far 0 50 0 - 4.3-11.1 HG LEU 86 - HD3 ARG 84 far 0 100 0 - 4.3-12.2 HB3 LEU 29 - HD3 ARG 17 far 0 89 0 - 4.4-17.1 HG2 ARG 84 - HD2 ARG 82 far 0 98 0 - 4.6-12.0 HB2 LEU 86 - HD2 ARG 84 far 0 80 0 - 4.7-12.8 HG2 ARG 26 - HD3 ARG 23 far 0 51 0 - 4.8-10.4 HG2 ARG 26 - HD2 ARG 17 far 0 57 0 - 4.8-18.2 HG2 ARG 71 - HD3 ARG 27 far 0 50 0 - 5.3-10.5 HG3 ARG 84 - HD2 ARG 82 far 0 98 0 - 5.4-13.3 HG2 ARG 26 - HD3 ARG 17 far 0 57 0 - 5.4-19.5 HD2 LYS 32 - HD2 ARG 17 far 0 82 0 - 5.4-24.6 HB3 LEU 29 - HD2 ARG 17 far 0 89 0 - 5.6-16.4 HB3 LEU 29 - HD3 ARG 26 far 0 60 0 - 5.7-8.9 HB3 LEU 29 - HD2 ARG 26 far 0 62 0 - 5.8-10.0 HD2 LYS 32 - HD3 ARG 17 far 0 82 0 - 5.9-25.0 HB2 LEU 86 - HD3 ARG 84 far 0 81 0 - 6.1-12.0 HD3 LYS 32 - HD2 ARG 17 far 0 78 0 - 6.5-24.4 HG3 ARG 17 - HD3 ARG 26 far 0 39 0 - 6.7-19.8 HD3 LYS 32 - HD3 ARG 17 far 0 78 0 - 6.9-24.8 HG2 ARG 17 - HD3 ARG 26 far 0 41 0 - 7.6-18.6 HG3 ARG 17 - HD2 ARG 26 far 0 41 0 - 7.7-19.8 HD3 LYS 39 - HD2 ARG 17 far 0 91 0 - 7.9-23.4 HG2 ARG 71 - HD2 ARG 23 far 0 56 0 - 8.0-13.5 HD3 LYS 39 - HD3 ARG 17 far 0 91 0 - 8.1-24.3 HG2 ARG 17 - HD2 ARG 26 far 0 43 0 - 8.6-19.6 HB2 LEU 86 - HD2 ARG 82 far 0 76 0 - 8.6-17.9 HD3 LYS 73 - HD2 ARG 71 far 0 84 0 - 8.7-13.5 HB3 LEU 29 - HD2 ARG 27 far 0 74 0 - 8.9-11.4 HB3 LEU 29 - HD3 ARG 27 far 0 74 0 - 9.0-11.7 HG2 ARG 71 - HD3 ARG 23 far 0 56 0 - 9.1-13.5 HG LEU 86 - HD2 ARG 82 far 0 97 0 - 9.3-19.3 HD2 LYS 73 - HD2 ARG 71 far 0 84 0 - 9.4-12.5 HD2 LYS 39 - HD2 ARG 17 far 0 92 0 - 9.4-24.0 HD2 LYS 39 - HD3 ARG 17 far 0 92 0 - 9.5-25.0 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (3.15, 3.15, 43.10 ppm; diagonal): 12 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): 12 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 5 assignments used, quality = 1.00: * H LYS 85 + HA LYS 85 OK 100 100 100 100 2.3-2.9 2.9=100 H LYS 85 - HA LYS 83 far 7 73 10 - 3.5-6.5 H THR 88 - HA LYS 85 far 3 68 5 - 3.7-9.6 H ARG 26 - HA GLU 19 far 0 30 0 - 7.7-13.1 H THR 88 - HA LYS 83 far 0 43 0 - 9.0-16.3 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (4.23, 4.23, 56.47 ppm; diagonal): 3 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 7 assignments used, quality = 1.00: * HB2 LYS 85 + HA LYS 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 83 + HA LYS 83 OK 52 52 100 100 2.4-3.0 3.0=100 HB3 ARG 84 - HA LYS 85 far 0 100 0 - 4.1-5.9 HB3 ARG 84 - HA LYS 83 far 0 73 0 - 4.3-5.9 HB2 LYS 83 - HA LYS 85 far 0 81 0 - 5.5-8.4 HB2 LYS 85 - HA LYS 83 far 0 73 0 - 5.5-9.3 HB3 LYS 39 - HA GLU 19 far 0 38 0 - 8.7-19.9 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (1.72, 4.23, 56.47 ppm; 3.63 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 85 + HA LYS 85 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 83 + HA LYS 83 OK 72 72 100 100 2.4-3.0 3.0=100 HB3 ARG 17 - HA GLU 19 far 2 37 5 - 3.9-8.8 HB2 ARG 84 - HA LYS 83 far 0 72 0 - 4.2-6.0 HB2 ARG 82 - HA LYS 83 far 0 39 0 - 4.3-5.9 HB2 ARG 84 - HA LYS 85 far 0 100 0 - 4.5-6.0 HB3 LYS 83 - HA LYS 85 far 0 100 0 - 5.3-8.1 HB3 LYS 85 - HA LYS 83 far 0 73 0 - 5.6-9.3 HB2 LEU 29 - HA GLU 19 far 0 52 0 - 5.9-15.2 HG3 ARG 26 - HA GLU 19 far 0 30 0 - 6.4-12.7 HB2 ARG 82 - HA LYS 85 far 0 63 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (1.38, 4.23, 56.47 ppm; 3.97 A increased from 3.53 A): 3 out of 13 assignments used, quality = 1.00: * HG2 LYS 85 + HA LYS 85 OK 100 100 100 100 2.2-4.2 3.8=100 HG2 LYS 83 + HA LYS 83 OK 69 69 100 100 2.2-3.9 3.7=100 QB ALA 20 + HA GLU 19 OK 29 54 65 84 3.8-5.0 4.5=67, ~29=25...(6) QB ALA 16 - HA GLU 19 far 2 41 5 - 4.2-9.6 HG2 LYS 83 - HA LYS 85 far 0 98 0 - 4.7-9.7 HG2 LYS 85 - HA LYS 83 far 0 73 0 - 5.9-10.4 QB ALA 78 - HA LYS 83 far 0 68 0 - 6.1-11.2 QB ALA 78 - HA LYS 85 far 0 97 0 - 6.7-16.5 QB ALA 77 - HA LYS 83 far 0 73 0 - 8.3-10.8 QB ALA 77 - HA LYS 85 far 0 100 0 - 8.9-16.5 HG3 LYS 73 - HA LYS 83 far 0 68 0 - 9.3-19.4 HG3 LYS 75 - HA GLU 19 far 0 48 0 - 9.5-23.3 QB ALA 16 - HA LYS 83 far 0 57 0 - 9.6-43.5 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (1.45, 4.23, 56.47 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 85 + HA LYS 85 OK 100 100 100 100 2.3-3.8 3.8=100 HG3 LYS 85 - HA LYS 83 far 0 73 0 - 5.5-10.2 QB ALA 30 - HA GLU 19 far 0 51 0 - 8.4-15.9 HG2 LYS 73 - HA LYS 83 far 0 44 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (8.11, 1.80, 32.58 ppm; 4.08 A): 2 out of 10 assignments used, quality = 1.00: * H LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.2-3.8 4.0=100 H LYS 75 + HB3 LYS 75 OK 82 82 100 100 2.2-3.0 4.0=100 H ARG 71 - HB2 LYS 73 far 0 78 0 - 4.5-5.9 H LYS 75 - HB3 LYS 73 far 0 57 0 - 4.7-5.4 H LYS 75 - HB2 LYS 73 far 0 68 0 - 4.9-5.5 H LYS 85 - HB2 LYS 83 far 0 81 0 - 5.4-7.7 H THR 88 - HB2 LYS 85 far 0 68 0 - 5.4-11.3 H ARG 71 - HB3 LYS 73 far 0 66 0 - 5.6-7.2 H ARG 71 - HB3 LYS 75 far 0 92 0 - 6.6-8.7 H THR 88 - HB2 LYS 83 far 0 48 0 - 7.0-17.1 Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (4.23, 1.80, 32.58 ppm; 3.20 A): 4 out of 23 assignments used, quality = 1.00: * HA LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 75 + HB3 LYS 75 OK 80 80 100 100 2.4-3.0 3.0=100 HA LYS 83 + HB2 LYS 83 OK 70 70 100 100 2.4-3.0 3.0=100 HA LYS 39 + HB3 LYS 39 OK 53 53 100 100 2.4-2.8 3.0=100 HA ALA 12 - HB2 LYS 13 far 0 44 0 - 4.7-5.9 HA ALA 77 - HB3 LYS 73 far 0 65 0 - 4.9-7.5 HA ALA 78 - HB2 LYS 83 far 0 54 0 - 5.2-12.4 HA THR 15 - HB2 LYS 13 far 0 69 0 - 5.4-9.3 HA LYS 85 - HB2 LYS 83 far 0 81 0 - 5.5-8.4 HA LYS 83 - HB2 LYS 85 far 0 93 0 - 5.5-9.3 HA ALA 77 - HB2 LYS 73 far 0 77 0 - 6.5-8.6 HA ALA 77 - HB3 LYS 75 far 0 91 0 - 7.1-8.5 HB THR 37 - HB3 LYS 39 far 0 73 0 - 7.2-8.1 HA LYS 75 - HB3 LYS 73 far 0 55 0 - 7.3-7.8 HA LYS 75 - HB2 LYS 73 far 0 66 0 - 7.7-8.3 HA ALA 77 - HB2 LYS 83 far 0 80 0 - 7.9-14.5 HA ALA 78 - HB3 LYS 75 far 0 64 0 - 7.9-11.8 HA ALA 78 - HB3 LYS 73 far 0 43 0 - 8.6-10.8 HA GLU 19 - HB3 LYS 39 far 0 40 0 - 8.7-19.9 HA LYS 39 - HB2 LYS 13 far 0 61 0 - 8.9-32.9 HA ALA 78 - HB2 LYS 85 far 0 76 0 - 9.2-19.0 HA THR 15 - HB3 LYS 39 far 0 60 0 - 9.2-28.5 HB THR 37 - HB3 LYS 75 far 0 90 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (1.80, 1.80, 32.58 ppm; diagonal): 7 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 20 assignments used, quality = 1.00: * HB3 LYS 85 + HB2 LYS 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 83 + HB2 LYS 83 OK 79 79 100 100 1.8-1.8 1.8=100 HB2 ARG 84 - HB2 LYS 85 far 0 100 0 - 3.5-7.2 HB2 ARG 82 - HB2 LYS 83 far 0 44 0 - 4.0-6.4 HB3 LYS 83 - HB2 LYS 85 far 0 100 0 - 4.8-9.4 HB2 ARG 84 - HB2 LYS 83 far 0 80 0 - 5.2-7.6 HG2 ARG 70 - HB2 LYS 73 far 0 68 0 - 5.2-7.0 HG3 ARG 71 - HB3 LYS 75 far 0 50 0 - 5.3-9.3 HB3 LYS 85 - HB2 LYS 83 far 0 81 0 - 5.6-10.0 HB2 LEU 43 - HB3 LYS 39 far 0 75 0 - 5.9-6.3 HG2 ARG 70 - HB3 LYS 73 far 0 57 0 - 6.1-7.9 HB2 ARG 82 - HB2 LYS 85 far 0 63 0 - 6.7-12.9 HG3 ARG 71 - HB2 LYS 73 far 0 40 0 - 6.8-8.9 HG3 ARG 71 - HB3 LYS 73 far 0 33 0 - 7.8-9.3 HG2 ARG 70 - HB3 LYS 75 far 0 82 0 - 8.0-11.5 HB3 ARG 17 - HB2 LYS 13 far 0 61 0 - 8.2-14.8 HB2 LEU 43 - HB2 LYS 73 far 0 78 0 - 8.4-10.5 HB2 LEU 29 - HB2 LYS 13 far 0 82 0 - 8.4-24.6 HB3 ARG 17 - HB3 LYS 39 far 0 53 0 - 9.8-21.7 HG3 ARG 66 - HB2 LYS 73 far 0 44 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 3437 from cnoeabs.peaks (1.38, 1.80, 32.58 ppm; 3.15 A): 7 out of 38 assignments used, quality = 1.00: * HG2 LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 75 + HB3 LYS 75 OK 84 84 100 100 2.3-3.0 2.7=100 HG2 LYS 75 + HB3 LYS 75 OK 84 84 100 100 2.3-3.0 2.7=100 HG2 LYS 83 + HB2 LYS 83 OK 76 76 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 73 73 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 61 61 100 100 2.2-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 42 42 100 100 2.4-3.0 2.9=100 QB ALA 77 - HB3 LYS 73 far 7 66 10 - 3.3-5.4 HG3 ARG 69 - HB2 LYS 73 far 4 78 5 - 3.3-6.3 HG2 LYS 83 - HB2 LYS 85 far 0 98 0 - 4.5-10.8 HG2 LYS 85 - HB2 LYS 83 far 0 81 0 - 4.5-11.5 QB ALA 78 - HB2 LYS 83 far 0 75 0 - 4.7-12.2 QB ALA 77 - HB2 LYS 73 far 0 78 0 - 4.7-6.7 HG3 ARG 69 - HB3 LYS 73 far 0 66 0 - 4.9-7.7 HB3 ARG 69 - HB2 LYS 73 far 0 63 0 - 5.2-6.9 QB ALA 78 - HB3 LYS 75 far 0 87 0 - 5.2-9.4 QB ALA 77 - HB3 LYS 75 far 0 92 0 - 5.4-7.1 HG3 LYS 75 - HB2 LYS 73 far 0 70 0 - 5.7-9.5 QB ALA 16 - HB2 LYS 13 far 0 67 0 - 6.0-9.4 HG3 LYS 75 - HB3 LYS 73 far 0 59 0 - 6.0-9.3 HG3 LYS 73 - HB3 LYS 75 far 0 87 0 - 6.6-8.7 HB3 ARG 69 - HB3 LYS 73 far 0 53 0 - 6.6-8.6 QB ALA 20 - HB3 LYS 39 far 0 75 0 - 6.6-17.4 QB ALA 78 - HB2 LYS 85 far 0 97 0 - 6.7-17.3 HG2 LYS 75 - HB2 LYS 73 far 0 70 0 - 6.7-9.6 HG2 LYS 75 - HB3 LYS 73 far 0 59 0 - 6.8-9.3 QB ALA 78 - HB3 LYS 73 far 0 61 0 - 7.4-9.4 QB ALA 16 - HB3 LYS 39 far 0 59 0 - 7.7-21.7 QB ALA 77 - HB2 LYS 83 far 0 80 0 - 7.8-12.3 QB ALA 78 - HB2 LYS 73 far 0 73 0 - 8.4-10.5 HG3 LYS 39 - HB2 LYS 13 far 0 48 0 - 8.5-33.2 QB ALA 16 - HB2 LYS 83 far 0 64 0 - 9.3-44.6 HG3 ARG 69 - HB3 LYS 39 far 0 75 0 - 9.3-10.9 HG3 ARG 69 - HB3 LYS 75 far 0 92 0 - 9.5-12.9 QB ALA 77 - HB2 LYS 85 far 0 100 0 - 9.6-17.8 HB3 ARG 69 - HB3 LYS 39 far 0 60 0 - 9.8-12.1 HG2 LYS 83 - HB3 LYS 73 far 0 62 0 - 9.8-20.6 HB3 ARG 69 - HB3 LYS 75 far 0 77 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3438 from cnoeabs.peaks (1.45, 1.80, 32.58 ppm; 3.28 A): 4 out of 12 assignments used, quality = 1.00: * HG3 LYS 85 + HB2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 13 + HB2 LYS 13 OK 84 84 100 100 2.3-3.0 3.0=100 HG2 LYS 73 + HB2 LYS 73 OK 48 48 100 100 2.2-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 40 40 100 100 2.5-3.0 2.9=100 HG3 LYS 85 - HB2 LYS 83 far 0 81 0 - 5.0-10.8 HG2 LYS 73 - HB3 LYS 75 far 0 60 0 - 6.8-9.6 HB3 LEU 43 - HB3 LYS 39 far 0 62 0 - 7.1-7.5 HG3 LYS 13 - HB3 LYS 39 far 0 75 0 - 7.6-33.9 HG12 ILE 33 - HB2 LYS 13 far 0 80 0 - 9.0-25.5 HB3 LEU 43 - HB2 LYS 73 far 0 65 0 - 9.2-11.5 QB ALA 30 - HB2 LYS 13 far 0 81 0 - 9.5-22.7 HG12 ILE 33 - HB3 LYS 39 far 0 71 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (8.11, 1.72, 32.58 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.2-4.0 4.0=100 H LYS 85 - HB3 LYS 83 far 10 100 10 - 4.0-7.7 H THR 88 - HB3 LYS 85 far 3 68 5 - 4.1-10.5 H THR 88 - HB3 LYS 83 far 0 67 0 - 6.7-16.1 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (4.23, 1.72, 32.58 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 83 + HB3 LYS 83 OK 92 92 100 100 2.4-3.0 3.0=100 HA LYS 85 - HB3 LYS 83 far 0 100 0 - 5.3-8.1 HA LYS 83 - HB3 LYS 85 far 0 93 0 - 5.6-9.3 HA ALA 78 - HB3 LYS 83 far 0 74 0 - 6.5-13.3 HA ALA 77 - HB3 LYS 83 far 0 99 0 - 7.0-14.0 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (1.80, 1.72, 32.58 ppm; 2.40 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 85 + HB3 LYS 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 83 + HB3 LYS 83 OK 79 79 100 100 1.8-1.8 1.8=100 HB3 ARG 84 - HB3 LYS 83 far 0 100 0 - 4.6-7.6 HB3 ARG 84 - HB3 LYS 85 far 0 100 0 - 4.6-6.8 HB2 LYS 85 - HB3 LYS 83 far 0 100 0 - 4.8-9.4 HB2 LYS 83 - HB3 LYS 85 far 0 81 0 - 5.6-10.0 HB ILE 89 - HB3 LYS 85 far 0 81 0 - 9.3-16.4 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HG2 LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 83 + HB3 LYS 83 OK 97 97 100 100 2.3-3.0 2.9=100 HG2 LYS 85 - HB3 LYS 83 far 0 100 0 - 4.8-10.5 QB ALA 78 - HB3 LYS 83 far 0 96 0 - 4.8-12.8 HG2 LYS 83 - HB3 LYS 85 far 0 98 0 - 5.9-10.3 QB ALA 77 - HB3 LYS 83 far 0 100 0 - 7.0-12.4 QB ALA 78 - HB3 LYS 85 far 0 97 0 - 7.2-16.7 QB ALA 16 - HB3 LYS 83 far 0 85 0 - 9.0-43.2 QB ALA 77 - HB3 LYS 85 far 0 100 0 - 9.2-17.7 HG3 LYS 73 - HB3 LYS 83 far 0 96 0 - 9.9-21.5 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (1.45, 1.72, 32.58 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 85 + HB3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 85 - HB3 LYS 83 far 5 100 5 - 3.3-10.0 HG13 ILE 89 - HB3 LYS 85 far 0 93 0 - 8.9-17.3 Violated in 0 structures by 0.00 A. Peak 3454 from cnoeabs.peaks (4.23, 1.38, 24.55 ppm; 3.72 A): 4 out of 20 assignments used, quality = 0.99: * HA LYS 85 + HG2 LYS 85 OK 88 100 90 98 2.2-4.2 3.8=91, 385/4.7=40...(9) HA LYS 83 + HG2 LYS 83 OK 80 81 100 99 2.2-3.9 3.7=99, ~833=14, ~832=14 HA LYS 75 + HG2 LYS 75 OK 49 49 100 100 2.2-3.8 3.9=88, 3071/1.8=32...(52) HA LYS 75 + HG3 LYS 75 OK 49 49 100 100 2.2-3.8 3.9=88, 3071/1.8=44...(50) HA LYS 85 - HG2 LYS 83 far 0 91 0 - 4.7-9.7 HA ALA 77 - HG3 LYS 73 far 0 97 0 - 4.9-8.7 HA ALA 78 - HG2 LYS 83 far 0 64 0 - 5.3-12.1 HA LYS 83 - HG2 LYS 85 far 0 93 0 - 5.9-10.4 HA ALA 77 - HG2 LYS 75 far 0 59 0 - 6.9-9.2 HA ALA 77 - HG2 LYS 83 far 0 91 0 - 7.1-14.8 HA ALA 78 - HG3 LYS 75 far 0 38 0 - 7.1-12.8 HA LYS 75 - HG3 LYS 73 far 0 87 0 - 7.4-9.4 HA ALA 77 - HG3 LYS 75 far 0 59 0 - 7.5-9.9 HA ALA 78 - HG2 LYS 75 far 0 38 0 - 7.6-11.8 HA ALA 78 - HG2 LYS 85 far 0 76 0 - 8.4-19.3 HA LYS 39 - HG3 LYS 73 far 0 75 0 - 9.3-12.3 HA LYS 83 - HG3 LYS 73 far 0 88 0 - 9.3-19.4 HA ALA 78 - HG3 LYS 73 far 0 70 0 - 9.4-12.7 HA GLU 19 - HG3 LYS 75 far 0 30 0 - 9.5-23.3 HB THR 37 - HG3 LYS 75 far 0 58 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (1.80, 1.38, 24.55 ppm; 3.16 A): 6 out of 17 assignments used, quality = 1.00: * HB2 LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 LYS 83 + HG2 LYS 83 OK 68 68 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 66 66 100 100 2.2-3.0 2.9=100 HB3 LYS 75 + HG3 LYS 75 OK 49 49 100 100 2.3-3.0 2.7=100 HB3 LYS 75 + HG2 LYS 75 OK 49 49 100 100 2.3-3.0 2.7=100 HB3 ARG 84 - HG2 LYS 85 far 0 100 0 - 3.9-8.7 HB2 LYS 85 - HG2 LYS 83 far 0 91 0 - 4.5-10.8 HB2 LYS 83 - HG2 LYS 85 far 0 81 0 - 4.5-11.5 HB3 ARG 84 - HG2 LYS 83 far 0 91 0 - 5.2-8.2 HB2 LYS 73 - HG3 LYS 75 far 0 43 0 - 5.7-9.5 HB2 ARG 69 - HG3 LYS 73 far 0 97 0 - 5.8-9.2 HB3 LYS 73 - HG3 LYS 75 far 0 35 0 - 6.0-9.3 HB3 LYS 75 - HG3 LYS 73 far 0 87 0 - 6.6-8.7 HB2 LYS 73 - HG2 LYS 75 far 0 43 0 - 6.7-9.6 HB3 LYS 73 - HG2 LYS 75 far 0 35 0 - 6.8-9.3 HB3 LYS 73 - HG2 LYS 83 far 0 59 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 3456 from cnoeabs.peaks (1.72, 1.38, 24.55 ppm; 3.69 A): 2 out of 15 assignments used, quality = 1.00: * HB3 LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 83 + HG2 LYS 83 OK 90 90 100 100 2.3-3.0 2.9=100 HB2 ARG 82 - HG2 LYS 83 far 5 52 10 - 3.5-8.3 HB3 LYS 83 - HG2 LYS 85 far 0 100 0 - 4.8-10.5 HB2 ARG 82 - HG2 LYS 85 far 0 63 0 - 4.9-12.9 HB2 ARG 84 - HG2 LYS 85 far 0 100 0 - 5.3-8.0 HB2 ARG 84 - HG2 LYS 83 far 0 91 0 - 5.6-8.4 HB3 LYS 85 - HG2 LYS 83 far 0 91 0 - 5.9-10.3 HG3 ARG 71 - HG3 LYS 75 far 0 29 0 - 7.0-11.6 HG2 ARG 70 - HG3 LYS 73 far 0 88 0 - 7.2-9.4 HB2 LEU 43 - HG3 LYS 73 far 0 97 0 - 7.3-10.6 HG3 ARG 71 - HG3 LYS 73 far 0 55 0 - 8.1-11.2 HG3 ARG 71 - HG2 LYS 75 far 0 29 0 - 8.2-12.3 HG2 ARG 70 - HG3 LYS 75 far 0 51 0 - 9.8-14.1 HB3 LYS 83 - HG3 LYS 73 far 0 96 0 - 9.9-21.5 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HG3 LYS 85 + HG2 LYS 85 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 73 + HG3 LYS 73 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 LYS 85 - HG2 LYS 83 far 0 91 0 - 5.3-11.3 HG2 LYS 73 - HG3 LYS 75 far 0 35 0 - 7.4-11.1 HG2 LYS 73 - HG2 LYS 75 far 0 35 0 - 8.0-11.1 HB3 LEU 43 - HG3 LYS 73 far 0 85 0 - 8.1-11.3 HG2 LYS 73 - HG2 LYS 83 far 0 59 0 - 8.7-22.6 HG13 ILE 89 - HG2 LYS 85 far 0 93 0 - 9.0-18.8 Violated in 0 structures by 0.00 A. Peak 3464 from cnoeabs.peaks (4.23, 1.45, 24.55 ppm; 4.12 A): 1 out of 12 assignments used, quality = 1.00: * HA LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.3-3.8 3.8=100 HA ALA 12 - HG3 LYS 13 far 9 57 15 - 3.9-7.0 HA THR 15 - HG3 LYS 13 far 0 86 0 - 4.9-8.9 HA ALA 77 - HG2 LYS 73 far 0 70 0 - 5.0-9.1 HA LYS 83 - HG3 LYS 85 far 0 93 0 - 5.5-10.2 HA ALA 78 - HG3 LYS 85 far 0 76 0 - 7.1-19.2 HA LYS 75 - HG2 LYS 73 far 0 59 0 - 8.1-9.8 HA ALA 78 - HG2 LYS 73 far 0 46 0 - 9.7-12.8 HA ALA 77 - HG3 LYS 85 far 0 100 0 - 9.7-20.8 HA LYS 39 - HG3 LYS 13 far 0 77 0 - 9.8-35.5 HA LYS 39 - HG2 LYS 73 far 0 50 0 - 9.8-11.2 HA LYS 83 - HG2 LYS 73 far 0 61 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 3465 from cnoeabs.peaks (1.80, 1.45, 24.55 ppm; 3.37 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 13 + HG3 LYS 13 OK 92 92 100 100 2.3-3.0 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 52 52 100 100 2.2-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 43 43 100 100 2.5-3.0 2.9=100 HB3 ARG 84 - HG3 LYS 85 far 0 100 0 - 4.0-8.3 HB3 LYS 32 - HG3 LYS 13 far 0 57 0 - 4.8-24.7 HB2 LYS 83 - HG3 LYS 85 far 0 81 0 - 5.0-10.8 HB2 ARG 69 - HG2 LYS 73 far 0 71 0 - 5.6-8.5 HB2 LYS 32 - HG3 LYS 13 far 0 57 0 - 6.6-25.2 HB3 LYS 75 - HG2 LYS 73 far 0 59 0 - 6.8-9.6 HB3 LYS 39 - HG3 LYS 13 far 0 80 0 - 7.6-33.9 HB2 PRO 34 - HG3 LYS 13 far 0 73 0 - 7.9-26.8 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (1.72, 1.45, 24.55 ppm; 4.39 A): 1 out of 9 assignments used, quality = 1.00: * HB3 LYS 85 + HG3 LYS 85 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 84 - HG3 LYS 85 far 10 100 10 - 4.5-7.7 HB3 LYS 83 - HG3 LYS 85 far 5 100 5 - 3.3-10.0 HB2 ARG 82 - HG3 LYS 85 far 0 63 0 - 5.1-13.6 HG2 ARG 70 - HG2 LYS 73 far 0 61 0 - 6.1-9.6 HB2 LEU 43 - HG2 LYS 73 far 0 70 0 - 7.7-9.5 HB2 LEU 29 - HG3 LYS 13 far 0 98 0 - 8.0-25.7 HG3 ARG 71 - HG2 LYS 73 far 0 35 0 - 8.7-11.3 HG3 ARG 66 - HG2 LYS 73 far 0 39 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (1.38, 1.45, 24.55 ppm; 2.40 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 85 + HG3 LYS 85 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HG2 LYS 73 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 ARG 69 - HG2 LYS 73 far 0 71 0 - 3.9-7.2 QB ALA 77 - HG2 LYS 73 far 0 70 0 - 4.7-7.5 QB ALA 78 - HG3 LYS 85 far 0 97 0 - 4.7-17.5 QB ALA 16 - HG3 LYS 13 far 0 84 0 - 4.7-11.3 HB3 ARG 69 - HG2 LYS 73 far 0 56 0 - 5.1-7.9 HG2 LYS 83 - HG3 LYS 85 far 0 98 0 - 5.3-11.3 HG3 LYS 75 - HG2 LYS 73 far 0 63 0 - 7.4-11.1 HG2 LYS 75 - HG2 LYS 73 far 0 63 0 - 8.0-11.1 QB ALA 78 - HG2 LYS 73 far 0 66 0 - 8.6-10.7 HG2 LYS 83 - HG2 LYS 73 far 0 66 0 - 8.7-22.6 HG3 LYS 39 - HG3 LYS 13 far 0 63 0 - 8.9-35.6 QB ALA 77 - HG3 LYS 85 far 0 100 0 - 9.2-17.9 Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (1.45, 1.45, 24.55 ppm; diagonal): 3 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; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 86 + HA LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 H VAL 90 - HA LEU 86 far 0 100 0 - 7.1-13.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB2 LEU 86 + HA LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 HG LEU 86 + HA LEU 86 OK 89 90 100 99 2.2-3.7 2.1/3519=71, 4.3=59...(17) HG3 ARG 84 - HA LEU 86 far 4 81 5 - 3.1-9.8 HG2 ARG 84 - HA LEU 86 far 0 81 0 - 4.7-9.1 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (1.56, 4.30, 55.05 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 86 + HA LEU 86 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (1.60, 4.30, 55.05 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.96: HB2 LEU 86 + HA LEU 86 OK 90 90 100 100 2.3-2.9 3.0=100 * HG LEU 86 + HA LEU 86 OK 54 100 55 98 2.2-3.7 2.1/3519=62, 4.3=47...(17) HG3 ARG 84 - HA LEU 86 far 5 100 5 - 3.1-9.8 HG2 ARG 84 - HA LEU 86 far 0 100 0 - 4.7-9.1 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (0.89, 4.30, 55.05 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 86 + HA LEU 86 OK 100 100 100 100 2.0-4.1 4.0=100 QG1 VAL 90 - HA LEU 86 far 0 96 0 - 5.0-13.4 QG2 VAL 90 - HA LEU 86 far 0 97 0 - 5.9-13.3 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (0.83, 4.30, 55.05 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 86 + HA LEU 86 OK 100 100 100 100 2.0-3.4 3549=94, 3551/3.0=35...(19) QG2 ILE 89 - HA LEU 86 far 0 98 0 - 5.1-11.2 QD1 ILE 89 - HA LEU 86 far 0 78 0 - 6.3-10.5 Violated in 1 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (8.27, 1.61, 42.08 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.3-3.9 4.0=100 H VAL 90 - HB2 LEU 86 far 0 100 0 - 6.1-14.4 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (4.30, 1.61, 42.08 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 87 - HB2 LEU 86 far 0 93 0 - 4.2-6.1 HA THR 88 - HB2 LEU 86 far 0 78 0 - 4.7-8.4 HA SER 60 - HB3 LEU 62 far 0 35 0 - 5.9-7.0 HA ALA 16 - HB2 LEU 86 far 0 99 0 - 9.0-61.2 Violated in 0 structures by 0.00 A. Peak 3522 from cnoeabs.peaks (1.61, 1.61, 42.08 ppm; diagonal): 2 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 3 assignments used, quality = 1.00: * HB3 LEU 86 + HB2 LEU 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 62 - HB3 LEU 62 far 0 57 0 - 2.7-2.9 HG LEU 64 - HB3 LEU 62 far 0 37 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 49 49 100 100 2.8-3.1 3.1=100 QG1 VAL 90 - HB2 LEU 86 far 0 96 0 - 5.0-14.1 QG2 VAL 90 - HB2 LEU 86 far 0 97 0 - 7.6-14.6 HG LEU 51 - HB3 LEU 62 far 0 57 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (0.83, 1.61, 42.08 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 86 + HB2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 89 - HB2 LEU 86 far 0 98 0 - 4.8-12.0 QD1 ILE 89 - HB2 LEU 86 far 0 78 0 - 4.9-11.1 QD2 LEU 64 - HB3 LEU 62 far 0 51 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (8.27, 1.56, 42.08 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.2-3.1 4.0=100 H VAL 90 - HB3 LEU 86 far 0 100 0 - 7.3-13.7 H ASN 80 - HB3 LEU 86 far 0 87 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (4.30, 1.56, 42.08 ppm; 3.93 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.6-3.0 3.0=100 HA GLU 87 - HB3 LEU 86 far 5 93 5 - 4.1-6.1 HA ALA 16 - HB3 LEU 29 far 4 74 5 - 3.2-20.7 HA ARG 17 - HB3 LEU 29 far 0 50 0 - 4.8-16.2 HA THR 88 - HB3 LEU 86 far 0 78 0 - 5.0-8.4 HA SER 60 - HB3 LEU 62 far 0 37 0 - 5.9-7.0 HA PRO 34 - HB3 LEU 29 far 0 67 0 - 8.6-9.3 HA ALA 16 - HB3 LEU 86 far 0 99 0 - 9.1-62.6 Violated in 0 structures by 0.00 A. Peak 3529 from cnoeabs.peaks (1.61, 1.56, 42.08 ppm; 2.40 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 86 + HB3 LEU 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 86 + HB3 LEU 86 OK 54 90 70 85 2.4-3.0 3.0=53, 2.1/3551=22...(15) HG3 ARG 17 - HB3 LEU 29 far 0 76 0 - 3.9-17.7 HG3 ARG 84 - HB3 LEU 86 far 0 81 0 - 4.3-11.3 HG2 ARG 17 - HB3 LEU 29 far 0 77 0 - 5.2-16.0 HG2 ARG 84 - HB3 LEU 86 far 0 81 0 - 5.9-10.9 HG2 ARG 26 - HB3 LEU 29 far 0 75 0 - 6.2-8.2 HD3 LYS 32 - HB3 LEU 29 far 0 78 0 - 7.7-9.8 HD2 LYS 32 - HB3 LEU 29 far 0 77 0 - 7.7-10.0 HG2 ARG 27 - HB3 LEU 29 far 0 63 0 - 8.8-10.6 HG3 ARG 27 - HB3 LEU 29 far 0 61 0 - 8.9-10.4 HB3 LEU 51 - HB3 LEU 62 far 0 50 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (1.56, 1.56, 42.08 ppm; diagonal): 3 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 10 assignments used, quality = 0.96: HB2 LEU 86 + HB3 LEU 86 OK 90 90 100 100 1.8-1.8 1.8=100 * HG LEU 86 + HB3 LEU 86 OK 59 100 70 85 2.4-3.0 3.0=53, 2.1/3551=22...(15) HG3 ARG 17 - HB3 LEU 29 far 0 56 0 - 3.9-17.7 HG3 ARG 84 - HB3 LEU 86 far 0 100 0 - 4.3-11.3 HG2 ARG 17 - HB3 LEU 29 far 0 58 0 - 5.2-16.0 HG2 ARG 84 - HB3 LEU 86 far 0 100 0 - 5.9-10.9 HG2 ARG 26 - HB3 LEU 29 far 0 52 0 - 6.2-8.2 HD3 LYS 32 - HB3 LEU 29 far 0 67 0 - 7.7-9.8 HD2 LYS 32 - HB3 LEU 29 far 0 70 0 - 7.7-10.0 HB3 LEU 51 - HB3 LEU 62 far 0 60 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (0.89, 1.56, 42.08 ppm; 3.14 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 74 74 100 100 2.8-2.9 3.1=100 QD1 LEU 62 + HB3 LEU 62 OK 51 51 100 100 2.8-3.1 3.1=100 QG1 VAL 90 - HB3 LEU 86 far 0 96 0 - 6.1-13.6 QG2 VAL 90 - HB3 LEU 86 far 0 97 0 - 8.2-13.6 HG LEU 51 - HB3 LEU 62 far 0 60 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (0.83, 1.56, 42.08 ppm; 3.40 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 86 + HB3 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 70 70 100 100 2.1-2.1 3.1=100 QD1 ILE 89 - HB3 LEU 86 far 0 78 0 - 6.1-12.0 QG2 ILE 89 - HB3 LEU 86 far 0 98 0 - 6.2-11.4 QD2 LEU 64 - HB3 LEU 29 far 0 70 0 - 7.4-8.0 QD2 LEU 64 - HB3 LEU 62 far 0 54 0 - 7.5-7.8 QG2 ILE 68 - HB3 LEU 29 far 0 50 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (4.30, 1.60, 26.98 ppm; 4.27 A): 3 out of 17 assignments used, quality = 1.00: * HA LEU 86 + HG LEU 86 OK 100 100 100 100 2.2-3.7 4.3=100 HA ARG 17 + HG2 ARG 17 OK 50 50 100 100 2.2-3.9 4.0=100 HA ARG 17 + HG3 ARG 17 OK 49 49 100 100 2.3-4.2 4.0=100 HA ALA 16 - HG3 ARG 17 poor 18 73 25 - 3.8-6.5 HA ALA 16 - HG2 ARG 17 poor 12 75 35 46 3.5-6.6 22/5.0=46 HA GLU 87 - HG LEU 86 far 9 93 10 - 4.0-6.9 HA THR 88 - HG LEU 86 far 8 78 10 - 4.4-8.9 HA LEU 86 - HG3 ARG 84 far 7 71 10 - 3.1-9.8 HA LEU 86 - HG2 ARG 84 far 0 71 0 - 4.7-9.1 HA PRO 34 - HG2 ARG 17 far 0 68 0 - 4.9-18.3 HA PRO 34 - HG3 ARG 17 far 0 66 0 - 5.1-18.5 HA GLU 87 - HG3 ARG 84 far 0 61 0 - 7.0-13.1 HA ALA 16 - HG LEU 86 far 0 99 0 - 8.1-63.0 HA GLU 87 - HG2 ARG 84 far 0 61 0 - 8.6-12.7 HA ASP 38 - HG2 ARG 17 far 0 52 0 - 8.8-22.9 HA THR 88 - HG3 ARG 84 far 0 48 0 - 9.1-16.4 HA ASP 38 - HG3 ARG 17 far 0 51 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. 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; 2.70 A increased from 2.40 A): 2 out of 12 assignments used, quality = 0.98: * HB3 LEU 86 + HG LEU 86 OK 95 100 100 95 2.4-3.0 3.0=76, 3551/2.1=29...(19) HB3 ARG 54 + HG3 ARG 54 OK 56 59 100 96 2.5-3.0 3.0=77, 2326/1.8=31...(16) HB3 LEU 29 - HG3 ARG 17 far 0 62 0 - 3.9-17.7 HB3 LEU 86 - HG3 ARG 84 far 0 71 0 - 4.3-11.3 HB3 LEU 29 - HG2 ARG 17 far 0 64 0 - 5.2-16.0 HB3 LEU 86 - HG2 ARG 84 far 0 71 0 - 5.9-10.9 HD2 LYS 39 - HG3 ARG 54 far 0 51 0 - 8.6-12.2 HG2 LYS 39 - HG3 ARG 54 far 0 59 0 - 8.7-11.9 HD3 LYS 39 - HG3 ARG 17 far 0 58 0 - 9.1-22.5 HG LEU 64 - HG3 ARG 70 far 0 61 0 - 9.4-11.9 HG LEU 62 - HG3 ARG 54 far 0 69 0 - 9.4-12.9 HD3 LYS 39 - HG3 ARG 54 far 0 53 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. 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; 4.01 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 86 + HG LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HG3 ARG 84 far 7 71 10 - 3.8-10.4 QD1 LEU 29 - HG3 ARG 17 far 4 73 5 - 3.4-16.5 QD1 LEU 29 - HG2 ARG 17 far 0 75 0 - 4.6-15.1 QD1 LEU 86 - HG2 ARG 84 far 0 71 0 - 4.8-10.0 HG LEU 51 - HG3 ARG 54 far 0 69 0 - 5.2-7.4 QG1 VAL 90 - HG LEU 86 far 0 96 0 - 5.3-13.8 QG2 VAL 90 - HG LEU 86 far 0 97 0 - 6.4-14.3 QD1 LEU 62 - HG3 ARG 54 far 0 60 0 - 8.1-11.2 QG1 VAL 90 - HG3 ARG 84 far 0 63 0 - 9.6-19.7 Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (0.83, 1.60, 26.98 ppm; 4.20 A): 1 out of 14 assignments used, quality = 1.00: * QD2 LEU 86 + HG LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 86 - HG3 ARG 84 far 7 71 10 - 3.1-9.1 QD2 LEU 86 - HG2 ARG 84 far 4 71 5 - 4.1-9.7 QG2 ILE 89 - HG LEU 86 far 0 98 0 - 4.6-12.7 QD2 LEU 29 - HG3 ARG 17 far 0 69 0 - 5.1-13.9 QD1 ILE 89 - HG LEU 86 far 0 78 0 - 5.1-11.2 QD2 LEU 29 - HG2 ARG 17 far 0 71 0 - 5.9-12.5 QD1 LEU 43 - HG3 ARG 54 far 0 69 0 - 6.0-8.9 QG2 ILE 68 - HG3 ARG 70 far 0 59 0 - 6.8-8.7 QG2 ILE 89 - HG3 ARG 84 far 0 67 0 - 8.7-18.3 QD2 LEU 64 - HG3 ARG 17 far 0 69 0 - 8.7-19.1 QG2 ILE 89 - HG2 ARG 84 far 0 67 0 - 9.5-18.0 QD2 LEU 64 - HG2 ARG 17 far 0 71 0 - 9.7-18.6 QD2 LEU 64 - HG3 ARG 70 far 0 81 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (4.30, 0.89, 24.55 ppm; 4.34 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.0-4.1 4.0=100 HA GLU 87 - QD1 LEU 86 poor 19 93 20 - 3.1-6.4 HA THR 88 - QD1 LEU 86 poor 16 78 20 - 3.2-8.4 HA ALA 16 - QD1 LEU 29 far 5 95 5 - 2.7-18.9 HA ARG 17 - QD1 LEU 29 far 0 68 0 - 5.0-15.2 HA SER 60 - QD1 LEU 62 far 0 60 0 - 5.8-6.8 HA ALA 16 - QD1 LEU 86 far 0 99 0 - 8.3-54.0 HA PRO 34 - QD1 LEU 29 far 0 89 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (1.61, 0.89, 24.55 ppm; 3.18 A): 4 out of 17 assignments used, quality = 1.00: * HB2 LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 86 + QD1 LEU 86 OK 90 90 100 100 2.1-2.1 2.1=100 HB3 LEU 62 + QD1 LEU 62 OK 55 55 100 100 2.8-3.1 3.1=100 HG2 ARG 26 + QD1 LEU 29 OK 45 96 75 63 2.4-4.9 3.0/5832=26, 3.7/4187=16...(10) HG3 ARG 17 - QD1 LEU 29 far 5 97 5 - 3.4-16.5 HG3 ARG 84 - QD1 LEU 86 far 0 81 0 - 3.8-10.4 HG2 ARG 17 - QD1 LEU 29 far 0 97 0 - 4.6-15.1 HG2 ARG 84 - QD1 LEU 86 far 0 81 0 - 4.8-10.0 HG2 ARG 27 - QD1 LEU 29 far 0 84 0 - 6.4-8.3 HG3 ARG 27 - QD1 LEU 29 far 0 82 0 - 6.5-7.9 HB3 LEU 51 - QD1 LEU 62 far 0 78 0 - 7.4-8.8 HD3 LYS 32 - QD1 LEU 29 far 0 97 0 - 7.4-9.3 HD2 LYS 32 - QD1 LEU 29 far 0 97 0 - 7.6-9.2 HD2 LYS 32 - QD1 LEU 62 far 0 89 0 - 8.9-11.6 HD3 LYS 73 - QD1 LEU 86 far 0 100 0 - 9.1-24.8 HD3 LYS 32 - QD1 LEU 62 far 0 90 0 - 9.4-12.3 HD2 LYS 73 - QD1 LEU 86 far 0 100 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (1.56, 0.89, 24.55 ppm; 2.76 A): 3 out of 9 assignments used, quality = 1.00: HG LEU 62 + QD1 LEU 62 OK 90 90 100 100 2.1-2.1 2.1=100 HB3 LEU 29 + QD1 LEU 29 OK 83 84 100 99 2.8-2.9 3.1=70, 1.8/1506=55...(18) * HB3 LEU 86 + QD1 LEU 86 OK 77 100 80 97 2.0-3.2 3.1=71, 3537/2.1=37...(19) HB3 LEU 62 - QD1 LEU 62 far 6 58 10 - 2.8-3.1 HG3 ARG 23 - QD1 LEU 29 far 0 73 0 - 8.0-10.6 HG3 ARG 54 - QD1 LEU 62 far 0 81 0 - 8.1-11.2 HB3 ARG 54 - QD1 LEU 62 far 0 78 0 - 8.5-10.0 HG LEU 64 - QD1 LEU 62 far 0 62 0 - 8.7-9.3 HG LEU 64 - QD1 LEU 29 far 0 71 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (1.60, 0.89, 24.55 ppm; 2.87 A): 5 out of 17 assignments used, quality = 1.00: * HG LEU 86 + QD1 LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 62 + QD1 LEU 62 OK 83 85 100 98 2.8-3.1 3.1=79, 3.0/2570=29...(17) HB3 LEU 29 + QD1 LEU 29 OK 81 82 100 100 2.8-2.9 3.1=79, 1.8/1506=59...(18) HB2 LEU 86 + QD1 LEU 86 OK 70 90 80 97 2.0-3.2 3.1=80, ~3537=21...(18) HG2 ARG 26 + QD1 LEU 29 OK 23 71 65 50 2.4-4.9 3.0/5832=20, 3.7/4187=13...(8) HG3 ARG 17 - QD1 LEU 29 far 0 76 0 - 3.4-16.5 HG3 ARG 84 - QD1 LEU 86 far 0 100 0 - 3.8-10.4 HG2 ARG 17 - QD1 LEU 29 far 0 78 0 - 4.6-15.1 HG2 ARG 84 - QD1 LEU 86 far 0 100 0 - 4.8-10.0 HB3 LEU 51 - QD1 LEU 62 far 0 90 0 - 7.4-8.8 HD3 LYS 32 - QD1 LEU 29 far 0 89 0 - 7.4-9.3 HD2 LYS 32 - QD1 LEU 29 far 0 91 0 - 7.6-9.2 HG3 ARG 54 - QD1 LEU 62 far 0 65 0 - 8.1-11.2 HD2 LYS 32 - QD1 LEU 62 far 0 82 0 - 8.9-11.6 HD3 LYS 73 - QD1 LEU 86 far 0 96 0 - 9.1-24.8 HD3 LYS 32 - QD1 LEU 62 far 0 80 0 - 9.4-12.3 HD2 LYS 73 - QD1 LEU 86 far 0 96 0 - 9.7-25.1 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * QD2 LEU 86 + QD1 LEU 86 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 29 + QD1 LEU 29 OK 91 91 100 100 2.0-2.1 2.1=100 QG2 ILE 89 - QD1 LEU 86 far 0 98 0 - 3.9-10.2 QD1 ILE 89 - QD1 LEU 86 far 0 78 0 - 4.2-10.7 QD2 LEU 64 - QD1 LEU 29 far 0 91 0 - 6.7-7.3 QD2 LEU 64 - QD1 LEU 62 far 0 82 0 - 6.8-7.4 QG2 ILE 68 - QD1 LEU 29 far 0 68 0 - 8.7-9.6 QD1 LEU 43 - QD1 LEU 62 far 0 90 0 - 9.3-10.2 QG2 ILE 68 - QD1 LEU 62 far 0 60 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 3549 from cnoeabs.peaks (4.30, 0.83, 23.40 ppm; 3.50 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.0-3.4 3519=100, 3.0/3551=36...(19) HA GLU 87 - QD2 LEU 86 far 14 93 15 - 3.3-6.1 HA THR 88 - QD2 LEU 86 far 12 78 15 - 2.5-8.1 HA ALA 16 - QD2 LEU 29 far 8 84 10 - 3.0-16.3 HA ARG 17 - QD2 LEU 29 far 0 58 0 - 4.6-12.6 HA ALA 16 - QD2 LEU 86 far 0 99 0 - 8.3-51.8 HA PRO 34 - QD2 LEU 29 far 0 77 0 - 8.6-9.4 HA ASP 38 - QD2 LEU 29 far 0 60 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (1.61, 0.83, 23.40 ppm; 3.40 A): 3 out of 12 assignments used, quality = 1.00: * HB2 LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 86 + QD2 LEU 86 OK 90 90 100 100 2.1-2.1 2.1=100 HG2 ARG 26 + QD2 LEU 29 OK 44 85 75 69 3.1-5.0 ~5832=21, 3.7/5349=14...(11) HG3 ARG 84 - QD2 LEU 86 far 4 81 5 - 3.1-9.1 HG2 ARG 84 - QD2 LEU 86 far 0 81 0 - 4.1-9.7 HG3 ARG 17 - QD2 LEU 29 far 0 86 0 - 5.1-13.9 HG2 ARG 27 - QD2 LEU 29 far 0 72 0 - 5.8-7.8 HG3 ARG 27 - QD2 LEU 29 far 0 70 0 - 5.8-7.5 HG2 ARG 17 - QD2 LEU 29 far 0 86 0 - 5.9-12.5 HD3 LYS 32 - QD2 LEU 29 far 0 87 0 - 8.4-10.0 HD2 LYS 32 - QD2 LEU 29 far 0 86 0 - 8.5-10.0 HG2 ARG 71 - QD2 LEU 86 far 0 100 0 - 9.4-29.4 Violated in 0 structures by 0.00 A. Peak 3551 from cnoeabs.peaks (1.56, 0.83, 23.40 ppm; 3.02 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.0-3.2 3.1=93, 3537/2.1=44...(21) HB3 LEU 29 + QD2 LEU 29 OK 72 72 100 100 2.1-2.1 3.1=92, 1500/2.1=48...(20) HG3 ARG 23 - QD2 LEU 29 far 0 62 0 - 7.8-9.9 HG LEU 64 - QD2 LEU 29 far 0 60 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 3552 from cnoeabs.peaks (1.60, 0.83, 23.40 ppm; 3.09 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 86 + QD2 LEU 86 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 86 + QD2 LEU 86 OK 90 90 100 100 2.0-3.2 3.1=100 HB3 LEU 29 + QD2 LEU 29 OK 70 70 100 100 2.1-2.1 3.1=98, 1500/2.1=48...(18) HG2 ARG 26 - QD2 LEU 29 poor 16 60 55 47 3.1-5.0 3.7/5349=11, ~5961=11...(8) HG3 ARG 84 - QD2 LEU 86 far 5 100 5 - 3.1-9.1 HG2 ARG 84 - QD2 LEU 86 far 0 100 0 - 4.1-9.7 HG3 ARG 17 - QD2 LEU 29 far 0 64 0 - 5.1-13.9 HG2 ARG 17 - QD2 LEU 29 far 0 66 0 - 5.9-12.5 HD3 LYS 32 - QD2 LEU 29 far 0 77 0 - 8.4-10.0 HD2 LYS 32 - QD2 LEU 29 far 0 80 0 - 8.5-10.0 HG2 ARG 71 - QD2 LEU 86 far 0 81 0 - 9.4-29.4 Violated in 0 structures by 0.00 A. Peak 3553 from cnoeabs.peaks (0.89, 0.83, 23.40 ppm; 2.40 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 86 + QD2 LEU 86 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 29 + QD2 LEU 29 OK 84 84 100 100 2.0-2.1 2.1=100 QG1 VAL 90 - QD2 LEU 86 far 0 96 0 - 4.9-12.6 QG2 VAL 90 - QD2 LEU 86 far 0 97 0 - 6.1-12.6 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 90 - HA GLU 87 far 0 95 0 - 7.9-12.1 HG2 PRO 44 - HA GLU 87 far 0 90 0 - 9.3-40.6 Violated in 0 structures by 0.00 A. Peak 3558 from cnoeabs.peaks (1.91, 4.32, 56.44 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 PRO 14 - HA GLU 87 far 0 81 0 - 9.7-72.6 Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.8 4.0=100 HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 3560 from cnoeabs.peaks (2.21, 4.32, 56.44 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 87 + HA GLU 87 OK 100 100 100 100 2.3-4.2 4.0=100 HG2 GLU 87 + HA GLU 87 OK 100 100 100 100 2.4-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (8.42, 2.03, 30.25 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.3-3.8 4.0=100 H ALA 20 + HB3 GLU 19 OK 48 48 100 100 2.0-4.5 4.6=100 H GLY 18 - HB3 GLU 19 far 3 68 5 - 4.6-7.0 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (4.32, 2.03, 30.25 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 87 + HB2 GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 86 - HB2 GLU 87 far 0 93 0 - 4.3-6.6 HA ALA 16 - HB3 GLU 19 far 0 87 0 - 5.8-12.4 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 GLU 87 + HB2 GLU 87 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 19 + HB3 GLU 19 OK 89 89 100 100 1.8-1.8 1.8=100 HB2 GLN 91 + HB3 GLN 91 OK 84 84 100 100 1.8-1.8 1.8=100 HB3 ARG 26 - HB3 GLU 19 far 0 53 0 - 6.3-17.2 HB2 ARG 26 - HB3 GLU 19 far 0 50 0 - 7.3-16.4 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (2.21, 2.03, 30.25 ppm; 2.68 A): 4 out of 5 assignments used, quality = 0.92: HG3 GLU 87 + HB2 GLU 87 OK 65 100 80 81 2.2-3.0 3.0=73, 1.8/3575=9...(10) HG2 GLU 19 + HB3 GLU 19 OK 47 76 80 78 2.3-3.0 3.0=71, 1.8/3581=8...(8) * HG2 GLU 87 + HB2 GLU 87 OK 37 100 45 82 2.4-3.0 3.0=73, 1.8/3575=16...(10) HG3 GLU 19 + HB3 GLU 19 OK 33 76 55 79 2.3-3.0 3.0=71, 1.8/3581=12...(8) HG3 GLU 50 - HB3 GLN 91 far 0 87 0 - 9.3-57.3 Violated in 0 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (2.21, 2.03, 30.25 ppm; 2.65 A): 4 out of 5 assignments used, quality = 0.90: * HG3 GLU 87 + HB2 GLU 87 OK 63 100 80 79 2.2-3.0 3.0=71, 1.8/3575=9...(10) HG2 GLU 19 + HB3 GLU 19 OK 41 77 70 76 2.3-3.0 3.0=68, 1.8/3581=8...(8) HG2 GLU 87 + HB2 GLU 87 OK 36 100 45 80 2.4-3.0 3.0=71, 1.8/3575=16...(10) HG3 GLU 19 + HB3 GLU 19 OK 27 77 45 77 2.3-3.0 3.0=68, 1.8/3581=12...(8) HG3 GLU 50 - HB3 GLN 91 far 0 86 0 - 9.3-57.3 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (8.42, 1.91, 30.25 ppm; 4.55 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.5-3.7 4.0=100 H ALA 20 + HB2 GLU 19 OK 50 50 100 100 2.7-4.6 4.6=97, 4.6/493=53...(10) H GLY 18 - HB2 GLU 19 poor 13 70 30 60 3.8-7.2 4.6/493=53, ~4800=6...(6) H ALA 20 - HB3 ARG 26 far 0 23 0 - 6.8-13.5 H GLY 18 - HB3 ARG 26 far 0 34 0 - 7.9-16.5 H ALA 20 - HB2 ARG 26 far 0 22 0 - 8.1-12.9 H GLY 18 - HB2 ARG 26 far 0 33 0 - 9.1-16.2 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (4.32, 1.91, 30.25 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 16 - HB2 GLU 19 far 0 90 0 - 4.2-12.5 HA LEU 86 - HB3 GLU 87 far 0 93 0 - 4.3-5.8 HA ALA 16 - HB3 ARG 26 far 0 47 0 - 7.6-23.0 HA ALA 16 - HB2 ARG 26 far 0 45 0 - 8.7-22.0 Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (2.03, 1.91, 30.25 ppm; 2.40 A): 3 out of 16 assignments used, quality = 1.00: * HB2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 19 + HB2 GLU 19 OK 89 89 100 100 1.8-1.8 1.8=100 HB3 GLN 91 + HB2 GLN 91 OK 84 84 100 100 1.8-1.8 1.8=100 HB VAL 90 - HB2 GLN 91 far 0 80 0 - 3.4-7.5 HB2 GLU 25 - HB3 ARG 26 far 0 32 0 - 4.5-7.2 HB3 GLU 25 - HB3 ARG 26 far 0 30 0 - 4.5-7.0 HB2 GLU 25 - HB2 ARG 26 far 0 30 0 - 4.6-6.4 HB3 GLU 25 - HB2 GLU 19 far 0 64 0 - 4.9-11.7 HB3 GLU 25 - HB2 ARG 26 far 0 29 0 - 5.1-6.5 HB2 GLU 25 - HB2 GLU 19 far 0 66 0 - 5.9-12.0 HB3 GLU 19 - HB3 ARG 26 far 0 46 0 - 6.3-17.2 HG2 PRO 44 - HB2 GLN 91 far 0 75 0 - 6.8-49.6 HB VAL 90 - HB3 GLU 87 far 0 95 0 - 7.1-12.7 HB3 GLU 19 - HB2 ARG 26 far 0 44 0 - 7.3-16.4 HB2 GLU 50 - HB2 GLN 91 far 0 84 0 - 9.1-54.9 HG2 PRO 44 - HB3 GLU 87 far 0 90 0 - 9.9-40.8 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (1.91, 1.91, 30.25 ppm; diagonal): 5 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 11 assignments used, quality = 1.00: * HG2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 19 + HB2 GLU 19 OK 78 78 100 100 2.3-3.0 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 78 78 100 100 2.4-3.0 3.0=100 HG3 GLU 19 - HB3 ARG 26 far 0 39 0 - 6.8-19.1 HG2 GLU 19 - HB3 ARG 26 far 0 39 0 - 7.4-18.0 HG3 GLU 19 - HB2 ARG 26 far 0 37 0 - 7.8-18.4 HG2 GLU 19 - HB2 ARG 26 far 0 37 0 - 8.1-17.4 HG3 GLU 50 - HB2 GLN 91 far 0 85 0 - 9.3-56.4 HG2 GLU 87 - HB2 GLN 91 far 0 89 0 - 9.5-17.6 HG3 GLU 87 - HB2 GLN 91 far 0 88 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 3572 from cnoeabs.peaks (2.21, 1.91, 30.25 ppm; 3.14 A): 4 out of 11 assignments used, quality = 1.00: * HG3 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 87 + HB3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 19 + HB2 GLU 19 OK 80 80 100 100 2.3-3.0 3.0=100 HG2 GLU 19 + HB2 GLU 19 OK 80 80 100 100 2.4-3.0 3.0=100 HG3 GLU 19 - HB3 ARG 26 far 0 40 0 - 6.8-19.1 HG2 GLU 19 - HB3 ARG 26 far 0 40 0 - 7.4-18.0 HG3 GLU 19 - HB2 ARG 26 far 0 38 0 - 7.8-18.4 HG2 GLU 19 - HB2 ARG 26 far 0 38 0 - 8.1-17.4 HG3 GLU 50 - HB2 GLN 91 far 0 84 0 - 9.3-56.4 HG2 GLU 87 - HB2 GLN 91 far 0 88 0 - 9.5-17.6 HG3 GLU 87 - HB2 GLN 91 far 0 89 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 5 out of 16 assignments used, quality = 0.98: HB2 GLU 50 + HG3 GLU 50 OK 82 96 100 86 2.3-2.9 3.0=66, 1.8/2196=27...(7) HB2 GLU 87 + HG3 GLU 87 OK 61 100 80 77 2.2-3.0 3.0=66, 3566/1.8=13...(8) HB3 GLU 19 + HG2 GLU 19 OK 46 88 70 74 2.3-3.0 3.0=64, 1223/1.8=13...(7) * HB2 GLU 87 + HG2 GLU 87 OK 36 100 45 79 2.4-3.0 3.0=66, 3566/1.8=23...(8) HB3 GLU 19 + HG3 GLU 19 OK 30 88 45 76 2.3-3.0 3.0=64, 1223/1.8=20...(7) HB3 GLU 50 - HG3 GLU 50 far 10 96 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 63 0 - 3.0-13.8 HB3 GLU 25 - HG2 GLU 19 far 0 63 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 65 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 65 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 87 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 94 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 95 0 - 8.0-13.2 HB3 GLN 91 - HG3 GLU 50 far 0 96 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 81 0 - 9.4-29.3 HB VAL 76 - HG3 GLU 19 far 0 81 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (1.91, 2.21, 36.01 ppm; 3.72 A): 4 out of 13 assignments used, quality = 1.00: * HB3 GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG3 GLU 19 OK 90 90 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 90 90 100 100 2.4-3.0 3.0=100 HB3 ARG 26 - HG3 GLU 19 far 0 53 0 - 6.8-19.1 HB3 ARG 26 - HG2 GLU 19 far 0 53 0 - 7.4-18.0 HB2 ARG 26 - HG3 GLU 19 far 0 51 0 - 7.8-18.4 HB2 ARG 26 - HG2 GLU 19 far 0 51 0 - 8.1-17.4 HB2 GLN 91 - HG3 GLU 50 far 0 94 0 - 9.3-56.4 HB VAL 41 - HG2 GLU 19 far 0 65 0 - 9.3-22.8 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.5-17.6 HG12 ILE 40 - HG3 GLU 19 far 0 90 0 - 9.6-21.8 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. 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; 5.27 A): 4 out of 6 assignments used, quality = 1.00: H GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.1-5.2 4.8=100 * H GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.7-4.8 4.8=100 H ALA 20 + HG2 GLU 19 OK 44 50 95 93 3.0-5.9 29/3.0=49, 30=28...(9) H ALA 20 + HG3 GLU 19 OK 42 50 90 93 2.2-5.9 29/3.0=49, 4.6/495=30...(9) H GLY 18 - HG2 GLU 19 poor 9 71 35 38 3.3-8.2 4.6/496=27, 3567/3.0=6...(5) H GLY 18 - HG3 GLU 19 poor 9 71 30 41 3.6-7.8 4.6/496=29, 3567/3.0=6...(5) Violated in 0 structures by 0.00 A. Peak 3581 from cnoeabs.peaks (2.03, 2.21, 36.01 ppm; 2.60 A): 5 out of 16 assignments used, quality = 0.98: HB2 GLU 50 + HG3 GLU 50 OK 81 95 100 86 2.3-2.9 3.0=66, 1.8/2196=26...(7) * HB2 GLU 87 + HG3 GLU 87 OK 61 100 80 77 2.2-3.0 3.0=66, 3566/1.8=13...(8) HB3 GLU 19 + HG2 GLU 19 OK 47 89 70 74 2.3-3.0 3.0=64, 1223/1.8=13...(7) HB2 GLU 87 + HG2 GLU 87 OK 36 100 45 79 2.4-3.0 3.0=66, 3566/1.8=23...(8) HB3 GLU 19 + HG3 GLU 19 OK 31 89 45 77 2.3-3.0 3.0=64, 1223/1.8=20...(7) HB3 GLU 50 - HG3 GLU 50 far 9 95 10 - 2.8-3.0 HB3 GLU 25 - HG3 GLU 19 far 0 64 0 - 3.0-13.8 HB3 GLU 25 - HG2 GLU 19 far 0 64 0 - 4.3-13.0 HB2 GLU 25 - HG3 GLU 19 far 0 66 0 - 4.3-14.1 HB2 GLU 25 - HG2 GLU 19 far 0 66 0 - 5.7-13.4 HG2 PRO 44 - HG3 GLU 50 far 0 86 0 - 6.7-8.6 HB VAL 90 - HG3 GLU 87 far 0 95 0 - 7.0-13.1 HB VAL 90 - HG2 GLU 87 far 0 94 0 - 8.0-13.2 HB3 GLN 91 - HG3 GLU 50 far 0 95 0 - 9.3-57.3 HB VAL 76 - HG2 GLU 19 far 0 83 0 - 9.4-29.3 HB VAL 76 - HG3 GLU 19 far 0 83 0 - 10.0-29.8 Violated in 0 structures by 0.00 A. Peak 3582 from cnoeabs.peaks (1.91, 2.21, 36.01 ppm; 3.72 A): 4 out of 13 assignments used, quality = 1.00: * HB3 GLU 87 + HG3 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 87 + HG2 GLU 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG3 GLU 19 OK 92 92 100 100 2.3-3.0 3.0=100 HB2 GLU 19 + HG2 GLU 19 OK 92 92 100 100 2.4-3.0 3.0=100 HB3 ARG 26 - HG3 GLU 19 far 0 55 0 - 6.8-19.1 HB3 ARG 26 - HG2 GLU 19 far 0 55 0 - 7.4-18.0 HB2 ARG 26 - HG3 GLU 19 far 0 52 0 - 7.8-18.4 HB2 ARG 26 - HG2 GLU 19 far 0 52 0 - 8.1-17.4 HB2 GLN 91 - HG3 GLU 50 far 0 93 0 - 9.3-56.4 HB VAL 41 - HG2 GLU 19 far 0 66 0 - 9.3-22.8 HB2 GLN 91 - HG2 GLU 87 far 0 97 0 - 9.5-17.6 HG12 ILE 40 - HG3 GLU 19 far 0 91 0 - 9.6-21.8 HB2 GLN 91 - HG3 GLU 87 far 0 97 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB THR 88 + HA THR 88 OK 100 100 100 100 2.4-2.9 3.0=100 HA GLN 91 - HA THR 88 far 0 93 0 - 7.5-11.6 Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (1.15, 4.28, 61.88 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 88 + HA THR 88 OK 100 100 100 100 2.0-3.2 3.2=100 HG12 ILE 89 + HA THR 88 OK 43 100 60 72 3.4-6.0 4.5/408=51, 2.1/5904=36...(4) Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (8.13, 4.12, 69.75 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * H THR 88 + HB THR 88 OK 100 100 100 100 2.5-3.8 3.9=100 H LYS 85 - HB THR 88 far 0 68 0 - 6.7-13.9 Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (4.28, 4.12, 69.75 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.95: * HA THR 88 + HB THR 88 OK 95 100 100 95 2.4-2.9 3.0=93, 408/409=29 HA LEU 86 - HB THR 88 far 0 78 0 - 5.4-9.4 HA ALA 16 - HB THR 88 far 0 57 0 - 9.8-69.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG2 THR 88 + HB THR 88 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 89 - HB THR 88 far 0 100 0 - 4.6-7.1 Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (4.28, 1.15, 21.44 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 88 + QG2 THR 88 OK 100 100 100 100 2.0-3.2 3.2=100 HA LEU 86 - QG2 THR 88 far 4 78 5 - 3.7-7.6 HA ALA 16 - QG2 THR 88 far 0 57 0 - 7.2-56.5 Violated in 0 structures by 0.00 A. Peak 3595 from cnoeabs.peaks (4.12, 1.15, 21.44 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 88 + QG2 THR 88 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLN 91 - QG2 THR 88 far 0 93 0 - 5.8-10.4 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H ILE 89 + HA ILE 89 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 89 + HA ILE 89 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 85 - HA ILE 89 far 0 81 0 - 8.9-15.8 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (0.84, 4.17, 60.86 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 89 + HA ILE 89 OK 100 100 100 100 2.1-2.5 3.2=100 QD2 LEU 86 - HA ILE 89 far 0 98 0 - 5.6-11.5 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (1.14, 4.17, 60.86 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 89 + HA ILE 89 OK 100 100 100 100 2.6-3.8 4.0=100 QG2 THR 88 + HA ILE 89 OK 49 100 60 81 3.7-5.6 ~409=45, 410/3.0=38...(4) Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (1.44, 4.17, 60.86 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 89 + HA ILE 89 OK 100 100 100 100 2.9-4.2 4.0=100 HG3 LYS 85 - HA ILE 89 far 0 93 0 - 9.7-16.6 Violated in 0 structures by 0.00 A. Peak 3603 from cnoeabs.peaks (0.81, 4.17, 60.86 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 89 + HA ILE 89 OK 100 100 100 100 2.0-4.2 4.2=100 QD2 LEU 86 - HA ILE 89 far 0 78 0 - 5.6-11.5 Violated in 0 structures by 0.00 A. Peak 3604 from cnoeabs.peaks (8.17, 1.82, 38.45 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + HB ILE 89 OK 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3605 from cnoeabs.peaks (4.17, 1.82, 38.45 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG2 ILE 89 + HB ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 86 - HB ILE 89 far 0 98 0 - 5.9-12.7 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (1.44, 1.82, 38.45 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (0.81, 1.82, 38.45 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 89 + HB ILE 89 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 86 - HB ILE 89 far 0 78 0 - 5.9-12.7 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (4.17, 0.84, 17.06 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.1-2.5 3.2=100 HB THR 15 - QG2 ILE 89 far 0 100 0 - 8.7-62.7 Violated in 0 structures by 0.00 A. Peak 3613 from cnoeabs.peaks (1.82, 0.84, 17.06 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 85 - QG2 ILE 89 far 0 81 0 - 8.6-15.5 HB3 ARG 84 - QG2 ILE 89 far 0 81 0 - 8.7-16.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG12 ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 THR 88 - QG2 ILE 89 far 5 100 5 - 3.5-6.3 Violated in 0 structures by 0.00 A. Peak 3616 from cnoeabs.peaks (1.44, 0.84, 17.06 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 89 + QG2 ILE 89 OK 100 100 100 100 2.3-3.2 3.2=100 HG3 LYS 85 - QG2 ILE 89 far 0 93 0 - 7.8-16.2 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (0.81, 0.84, 17.06 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 89 + QG2 ILE 89 OK 100 100 100 100 1.9-2.2 3635=100, ~3635=8, 5268/4.0=4 QD2 LEU 86 - QG2 ILE 89 far 0 78 0 - 3.6-10.7 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (8.17, 1.14, 27.16 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.0-4.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 3619 from cnoeabs.peaks (4.17, 1.14, 27.16 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.6-3.8 4.0=100 HB THR 15 - HG12 ILE 89 far 0 100 0 - 9.4-77.0 Violated in 0 structures by 0.00 A. Peak 3620 from cnoeabs.peaks (1.82, 1.14, 27.16 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3621 from cnoeabs.peaks (0.84, 1.14, 27.16 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.2-3.2 3.2=100 QD2 LEU 86 - HG12 ILE 89 far 0 98 0 - 4.6-12.8 Violated in 0 structures by 0.00 A. 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; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 89 + HG12 ILE 89 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3624 from cnoeabs.peaks (0.81, 1.14, 27.16 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * QD1 ILE 89 + HG12 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 86 - HG12 ILE 89 far 8 78 10 - 4.6-12.8 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.17, 1.44, 27.16 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.3-4.0 4.5=100 H ARG 27 - HG12 ILE 33 far 0 97 0 - 7.2-7.6 H GLU 25 - HG12 ILE 33 far 0 58 0 - 9.4-9.8 Violated in 0 structures by 0.00 A. Peak 3626 from cnoeabs.peaks (4.17, 1.44, 27.16 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.9-4.2 4.0=100 HA LEU 29 + HG12 ILE 33 OK 77 94 100 82 4.3-4.7 5179/574=63, 3.0/5534=28...(4) HB THR 15 - HG12 ILE 33 far 0 98 0 - 7.9-24.1 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (1.82, 1.44, 27.16 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.3-2.6 2.9=100 HB2 ARG 27 - HG12 ILE 33 far 0 56 0 - 6.2-7.9 HB2 ARG 17 - HG12 ILE 33 far 0 86 0 - 6.5-18.5 Violated in 0 structures by 0.00 A. Peak 3628 from cnoeabs.peaks (0.84, 1.44, 27.16 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 64 + HG12 ILE 33 OK 97 97 100 99 3.1-3.5 6122/2.1=72, 5029=54...(16) QD2 LEU 86 - HG13 ILE 89 far 0 98 0 - 5.2-12.9 QD2 LEU 29 - HG12 ILE 33 far 0 97 0 - 5.9-6.3 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (1.14, 1.44, 27.16 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 89 + HG13 ILE 89 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 88 - HG13 ILE 89 far 0 100 0 - 3.7-6.9 QG2 THR 37 - HG12 ILE 33 far 0 56 0 - 4.3-7.0 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 89 + HG13 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 86 - HG13 ILE 89 far 0 78 0 - 5.2-12.9 QG2 ILE 68 - HG12 ILE 33 far 0 98 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 3633 from cnoeabs.peaks (4.17, 0.81, 12.46 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.0-4.2 4.2=100 HB THR 15 - QD1 ILE 89 far 0 100 0 - 6.4-62.6 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.82, 0.81, 12.46 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.3-3.2 3.2=100 HB2 LYS 85 - QD1 ILE 89 far 0 81 0 - 9.0-14.6 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (0.84, 0.81, 12.46 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 89 + QD1 ILE 89 OK 100 100 100 100 1.9-2.2 3617=100, ~3617=8, 4.0/5268=4 QD2 LEU 86 - QD1 ILE 89 far 0 98 0 - 2.7-10.1 Violated in 0 structures by 0.00 A. Peak 3636 from cnoeabs.peaks (1.14, 0.81, 12.46 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 88 - QD1 ILE 89 far 10 100 10 - 2.5-6.4 Violated in 0 structures by 0.00 A. Peak 3637 from cnoeabs.peaks (1.44, 0.81, 12.46 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 89 + QD1 ILE 89 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 LYS 85 - QD1 ILE 89 far 0 93 0 - 8.5-15.6 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H VAL 90 + HA VAL 90 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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; 5.33 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 90 + HA VAL 90 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 91 + HA VAL 90 OK 59 78 80 94 4.3-5.8 3.6/419=94 HB2 GLU 87 - HA VAL 90 far 0 95 0 - 7.9-11.8 Violated in 0 structures by 0.00 A. Peak 3642 from cnoeabs.peaks (0.90, 4.08, 62.21 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 90 + HA VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 VAL 90 + HA VAL 90 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 96 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 3643 from cnoeabs.peaks (0.90, 4.08, 62.21 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 90 + HA VAL 90 OK 100 100 100 100 2.1-3.2 3.2=100 QG1 VAL 90 + HA VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 QD1 LEU 86 - HA VAL 90 far 0 97 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (8.27, 2.02, 32.55 ppm; 4.18 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 90 + HB VAL 90 OK 100 100 100 100 2.5-3.9 3.9=100 H ALA 12 + HB3 MET 11 OK 34 35 95 100 2.0-4.6 4.1=100 H ASN 80 - HB VAL 76 far 5 54 10 - 4.1-6.7 H LYS 13 - HB3 MET 11 far 0 63 0 - 4.9-7.7 H LEU 86 - HB3 MET 11 far 0 65 0 - 9.7-71.2 H LEU 86 - HB VAL 90 far 0 100 0 - 9.9-16.3 Violated in 0 structures by 0.00 A. Peak 3645 from cnoeabs.peaks (4.08, 2.02, 32.55 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 90 + HB VAL 90 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 71 - HB VAL 76 far 0 68 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 3646 from cnoeabs.peaks (2.02, 2.02, 32.55 ppm; diagonal): 3 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 6 assignments used, quality = 1.00: * QG1 VAL 90 + HB VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 90 + HB VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 76 + HB VAL 76 OK 48 48 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + HB VAL 76 OK 48 48 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HB VAL 90 far 0 96 0 - 7.0-12.8 QD1 LEU 86 - HB VAL 76 far 0 61 0 - 8.3-25.4 Violated in 0 structures by 0.00 A. Peak 3648 from cnoeabs.peaks (0.90, 2.02, 32.55 ppm; 3.50 A): 4 out of 6 assignments used, quality = 1.00: * QG2 VAL 90 + HB VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 90 + HB VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 76 + HB VAL 76 OK 46 46 100 100 2.1-2.1 2.1=100 QG1 VAL 76 + HB VAL 76 OK 46 46 100 100 2.1-2.1 2.1=100 QD1 LEU 86 - HB VAL 90 far 0 97 0 - 7.0-12.8 QD1 LEU 86 - HB VAL 76 far 0 62 0 - 8.3-25.4 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (8.27, 0.90, 20.53 ppm; 4.23 A): 3 out of 8 assignments used, quality = 1.00: * H VAL 90 + QG1 VAL 90 OK 100 100 100 100 1.9-3.9 4.0=100 H VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.0-3.9 4.0=100 H ASN 80 + QG2 VAL 76 OK 23 60 45 85 2.2-5.0 6154/5437=40...(7) H ASN 80 - QG1 VAL 76 far 0 63 0 - 4.9-6.9 H LEU 86 - QG1 VAL 90 far 0 100 0 - 6.6-14.7 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.0-14.9 H LEU 86 - QG2 VAL 76 far 0 74 0 - 9.3-20.9 H ALA 12 - QG2 VAL 90 far 0 65 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. Peak 3650 from cnoeabs.peaks (4.08, 0.90, 20.53 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 HA VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-3.2 3.2=100 HA ARG 71 - QG2 VAL 76 far 0 74 0 - 6.9-10.1 HA ARG 71 - QG1 VAL 76 far 0 78 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 3651 from cnoeabs.peaks (2.02, 0.90, 20.53 ppm; 3.52 A): 4 out of 21 assignments used, quality = 1.00: * HB VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG1 VAL 76 OK 46 46 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG2 VAL 76 OK 43 43 100 100 2.1-2.1 2.1=100 HB3 GLN 79 - QG2 VAL 76 poor 17 47 35 - 2.4-5.6 HB3 GLN 91 - QG1 VAL 90 far 8 78 10 - 3.5-6.6 HB3 GLN 91 - QG2 VAL 90 far 8 78 10 - 3.5-6.5 HB3 GLN 79 - QG1 VAL 76 far 0 50 0 - 3.9-7.4 HB2 GLU 87 - QG2 VAL 90 far 0 94 0 - 6.6-11.3 HD3 ARG 69 - QG1 VAL 76 far 0 71 0 - 6.7-12.7 HD3 ARG 69 - QG2 VAL 76 far 0 67 0 - 6.9-13.3 HB2 GLU 87 - QG1 VAL 90 far 0 95 0 - 7.6-11.8 HD2 ARG 69 - QG1 VAL 76 far 0 71 0 - 7.7-12.7 HD2 ARG 69 - QG2 VAL 76 far 0 67 0 - 8.2-13.3 HG2 PRO 44 - QG1 VAL 90 far 0 60 0 - 8.2-40.1 HB3 GLU 19 - QG1 VAL 76 far 0 58 0 - 8.9-21.7 HG LEU 43 - QG2 VAL 76 far 0 36 0 - 9.0-13.9 HG2 PRO 44 - QG2 VAL 90 far 0 60 0 - 9.1-40.8 HG LEU 43 - QG1 VAL 76 far 0 38 0 - 9.1-13.5 HG2 PRO 44 - QG2 VAL 76 far 0 38 0 - 9.7-15.5 HG2 PRO 44 - QG1 VAL 76 far 0 40 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. 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): 3 out of 8 assignments used, quality = 1.00: * H VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.0-3.9 4.0=100 H VAL 90 + QG1 VAL 90 OK 100 100 100 100 1.9-3.9 4.0=100 H ASN 80 + QG2 VAL 76 OK 22 58 45 85 2.2-5.0 6154/5437=40...(7) H ASN 80 - QG1 VAL 76 far 0 61 0 - 4.9-6.9 H LEU 86 - QG1 VAL 90 far 0 100 0 - 6.6-14.7 H LEU 86 - QG2 VAL 90 far 0 100 0 - 8.0-14.9 H LEU 86 - QG2 VAL 76 far 0 72 0 - 9.3-20.9 H ALA 12 - QG2 VAL 90 far 0 65 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. Peak 3655 from cnoeabs.peaks (4.08, 0.90, 20.53 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-3.2 3.2=100 HA VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.2-3.2 3.2=100 HA ARG 71 - QG2 VAL 76 far 0 72 0 - 6.9-10.1 HA ARG 71 - QG1 VAL 76 far 0 76 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 3656 from cnoeabs.peaks (2.02, 0.90, 20.53 ppm; 3.52 A): 4 out of 21 assignments used, quality = 1.00: * HB VAL 90 + QG2 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 90 + QG1 VAL 90 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG1 VAL 76 OK 44 44 100 100 2.1-2.1 2.1=100 HB VAL 76 + QG2 VAL 76 OK 42 42 100 100 2.1-2.1 2.1=100 HB3 GLN 79 - QG2 VAL 76 poor 16 45 35 - 2.4-5.6 HB3 GLN 91 - QG2 VAL 90 far 8 78 10 - 3.5-6.5 HB3 GLN 91 - QG1 VAL 90 far 8 78 10 - 3.5-6.6 HB3 GLN 79 - QG1 VAL 76 far 0 48 0 - 3.9-7.4 HB2 GLU 87 - QG2 VAL 90 far 0 95 0 - 6.6-11.3 HD3 ARG 69 - QG1 VAL 76 far 0 68 0 - 6.7-12.7 HD3 ARG 69 - QG2 VAL 76 far 0 65 0 - 6.9-13.3 HB2 GLU 87 - QG1 VAL 90 far 0 94 0 - 7.6-11.8 HD2 ARG 69 - QG1 VAL 76 far 0 68 0 - 7.7-12.7 HD2 ARG 69 - QG2 VAL 76 far 0 65 0 - 8.2-13.3 HG2 PRO 44 - QG1 VAL 90 far 0 60 0 - 8.2-40.1 HB3 GLU 19 - QG1 VAL 76 far 0 56 0 - 8.9-21.7 HG LEU 43 - QG2 VAL 76 far 0 34 0 - 9.0-13.9 HG2 PRO 44 - QG2 VAL 90 far 0 60 0 - 9.1-40.8 HG LEU 43 - QG1 VAL 76 far 0 37 0 - 9.1-13.5 HG2 PRO 44 - QG2 VAL 76 far 0 36 0 - 9.7-15.5 HG2 PRO 44 - QG1 VAL 76 far 0 38 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * H GLN 91 + HA GLN 91 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * HB2 GLN 91 + HA GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (2.04, 4.13, 57.16 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 91 + HA GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB VAL 90 - HA GLN 91 poor 16 78 20 - 4.6-6.1 HG2 PRO 44 - HA GLN 91 far 0 99 0 - 6.6-49.5 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (8.03, 1.90, 30.42 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 91 + HB2 GLN 91 OK 100 100 100 100 2.3-3.8 3.6=100 H GLN 91 - HB3 GLU 87 far 0 89 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (4.13, 1.90, 30.42 ppm; 3.85 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 91 + HB2 GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB THR 88 - HB3 GLU 87 far 0 78 0 - 5.1-7.6 HB THR 88 - HB2 GLN 91 far 0 93 0 - 6.6-13.4 HA LEU 29 - HB2 GLU 19 far 0 29 0 - 6.7-16.6 HA ARG 23 - HB2 GLU 19 far 0 52 0 - 8.9-15.5 HA LEU 29 - HB3 PRO 34 far 0 39 0 - 9.0-10.2 HA ALA 30 - HB2 GLU 19 far 0 54 0 - 9.4-19.9 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HB3 GLN 91 + HB2 GLN 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 87 + HB3 GLU 87 OK 84 84 100 100 1.8-1.8 1.8=100 HB3 GLU 19 + HB2 GLU 19 OK 54 54 100 100 1.8-1.8 1.8=100 HB VAL 90 - HB2 GLN 91 far 0 78 0 - 3.4-7.5 HB3 GLU 25 - HB2 GLU 19 far 0 46 0 - 4.9-11.7 HG2 PRO 56 - HB3 PRO 34 far 0 70 0 - 5.8-8.1 HB2 GLU 25 - HB2 GLU 19 far 0 47 0 - 5.9-12.0 HG2 PRO 44 - HB2 GLN 91 far 0 99 0 - 6.8-49.6 HB VAL 90 - HB3 GLU 87 far 0 63 0 - 7.1-12.7 HB3 PRO 56 - HB3 PRO 34 far 0 67 0 - 8.5-10.4 HB2 GLU 50 - HB2 GLN 91 far 0 100 0 - 9.1-54.9 HB VAL 45 - HB3 GLU 87 far 0 56 0 - 9.2-36.9 HB3 MET 31 - HB3 PRO 34 far 0 34 0 - 9.5-10.6 HG2 PRO 44 - HB3 GLU 87 far 0 86 0 - 9.9-40.8 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (4.13, 2.04, 30.42 ppm; 4.63 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 91 + HB3 GLN 91 OK 100 100 100 100 2.4-3.0 3.0=100 HB THR 88 - HB2 GLU 87 far 0 80 0 - 5.1-7.8 HA LEU 29 - HB3 GLU 19 far 0 34 0 - 6.0-17.4 HB THR 88 - HB3 GLN 91 far 0 93 0 - 7.7-13.1 HA ALA 30 - HB3 GLU 19 far 0 62 0 - 8.1-20.5 HA ARG 23 - HB3 GLU 19 far 0 60 0 - 8.5-15.2 HA ARG 27 - HB3 GLU 19 far 0 48 0 - 9.5-19.4 Violated in 0 structures by 0.00 A. Peak 3677 from cnoeabs.peaks (1.90, 2.04, 30.42 ppm; 2.40 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLN 91 + HB3 GLN 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 87 + HB2 GLU 87 OK 84 84 100 100 1.8-1.8 1.8=100 HB2 GLU 19 + HB3 GLU 19 OK 54 54 100 100 1.8-1.8 1.8=100 HB3 ARG 26 - HB3 GLU 19 far 0 51 0 - 6.3-17.2 HB2 ARG 26 - HB3 GLU 19 far 0 49 0 - 7.3-16.4 Violated in 0 structures by 0.00 A. 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; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 12 + HA MET 11 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3704 from cnoeabs.peaks (8.27, 4.26, 52.27 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + HA ALA 12 OK 100 100 100 100 2.1-2.8 8=100 Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (8.27, 1.33, 19.07 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 13 + QB ALA 12 OK 100 100 100 100 2.1-3.7 3.6=100 H LYS 13 - QB ALA 16 far 0 65 0 - 5.8-10.2 H LEU 86 - QB ALA 16 far 0 62 0 - 9.7-50.8 Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (8.20, 4.45, 63.04 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * H THR 15 + HA PRO 14 OK 100 100 100 100 2.1-2.6 3.6=100 H ALA 28 - HA PRO 14 far 0 98 0 - 9.9-24.7 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (8.36, 4.25, 61.70 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 16 + HA THR 15 OK 100 100 100 100 2.1-3.5 3.6=100 H ARG 17 - HA THR 15 far 8 76 10 - 3.3-6.6 Violated in 0 structures by 0.00 A. Peak 3715 from cnoeabs.peaks (8.36, 1.19, 21.44 ppm; 6.43 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 16 + QG2 THR 15 OK 100 100 100 100 2.2-4.1 4.2=100 H ARG 17 - QG2 THR 15 lone 2 76 80 3 4.0-7.1 H ASP 24 - QG2 THR 15 far 0 90 0 - 9.0-20.4 Violated in 0 structures by 0.00 A. Peak 3716 from cnoeabs.peaks (8.38, 4.31, 52.27 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 17 + HA ALA 16 OK 100 100 100 100 2.1-3.4 3.6=100 H ALA 16 + HA ALA 16 OK 76 76 100 100 2.8-2.9 2.9=100 H GLY 18 - HA ALA 16 far 4 73 5 - 3.6-6.6 H GLY 21 - HA ALA 16 far 0 98 0 - 8.7-15.8 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (8.38, 1.36, 19.09 ppm; 4.05 A): 3 out of 10 assignments used, quality = 1.00: * H ARG 17 + QB ALA 16 OK 100 100 100 100 2.0-3.4 3.6=100 H ALA 16 + QB ALA 16 OK 76 76 100 100 2.1-2.7 2.9=100 H GLY 21 + QB ALA 20 OK 51 51 100 100 2.1-3.3 3.6=100 H GLY 18 - QB ALA 16 poor 6 73 30 26 2.3-5.9 3.6/5486=26 H GLY 18 - QB ALA 20 far 3 33 10 - 2.9-8.5 H ARG 17 - QB ALA 20 far 0 55 0 - 6.0-10.7 H ALA 16 - QB ALA 20 far 0 35 0 - 7.0-13.8 H ALA 16 - QB ALA 12 far 0 42 0 - 7.8-10.6 H GLY 21 - QB ALA 16 far 0 98 0 - 7.8-13.4 H ARG 17 - QB ALA 12 far 0 65 0 - 8.1-13.7 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (8.32, 3.93, 45.09 ppm; 4.36 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.1-3.6 3.6=100 H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.2-3.5 3.6=100 H GLU 19 - HA2 GLY 21 far 0 65 0 - 5.7-9.0 H GLU 19 - HA3 GLY 21 far 0 67 0 - 6.1-9.1 H ASP 24 - HA3 GLY 21 far 0 58 0 - 6.4-8.8 H ASP 24 - HA2 GLY 21 far 0 56 0 - 6.6-8.7 H ASP 24 - HA3 GLY 18 far 0 93 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (8.32, 3.93, 45.09 ppm; 4.36 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 19 + HA3 GLY 18 OK 100 100 100 100 2.2-3.5 3.6=100 H GLU 19 + HA2 GLY 18 OK 100 100 100 100 2.1-3.6 3.6=100 H GLU 19 - HA2 GLY 21 far 0 67 0 - 5.7-9.0 H GLU 19 - HA3 GLY 21 far 0 70 0 - 6.1-9.1 H ASP 24 - HA3 GLY 21 far 0 60 0 - 6.4-8.8 H ASP 24 - HA2 GLY 21 far 0 58 0 - 6.6-8.7 H ASP 24 - HA3 GLY 18 far 0 93 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (8.45, 4.26, 56.28 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 20 + HA GLU 19 OK 100 100 100 100 2.1-3.6 3.6=100 H GLU 87 - HA LYS 85 far 1 26 5 - 3.3-6.5 H ALA 20 - HA ARG 17 far 0 80 0 - 5.4-10.3 H GLU 87 - HA LYS 83 far 0 50 0 - 7.3-12.8 Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (8.45, 1.91, 30.05 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 20 + HB2 GLU 19 OK 100 100 100 100 2.7-4.6 4.6=100 H GLU 87 + HB3 GLU 87 OK 50 50 100 100 2.5-3.7 4.0=100 H ALA 20 - HB3 ARG 26 far 0 59 0 - 6.8-13.5 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (8.45, 2.04, 30.05 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 20 + HB3 GLU 19 OK 100 100 100 100 2.0-4.5 4.6=100 H GLU 87 + HB2 GLU 87 OK 48 48 100 100 2.3-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3724 from cnoeabs.peaks (8.45, 2.23, 36.01 ppm; 5.62 A): 4 out of 5 assignments used, quality = 1.00: H ALA 20 + HG2 GLU 19 OK 99 100 100 99 3.0-5.9 29/3.0=88, 30=50...(9) * H ALA 20 + HG3 GLU 19 OK 94 100 95 99 2.2-5.9 29/3.0=88, 30=50...(9) H GLU 87 + HG3 GLU 87 OK 50 50 100 100 2.7-4.8 4.8=100 H GLU 87 + HG2 GLU 87 OK 49 49 100 100 2.1-5.2 4.8=100 H ALA 20 - HG2 GLU 25 lone 3 62 35 16 3.3-9.5 ~4167=5, 2.9/5326=5, ~5512=5 Violated in 0 structures by 0.00 A. Peak 3725 from cnoeabs.peaks (8.39, 4.26, 52.94 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 21 + HA ALA 20 OK 100 100 100 100 2.1-3.6 3.6=100 H GLY 18 - HA ALA 20 far 0 92 0 - 5.4-8.9 H ARG 17 - HA ALA 20 far 0 98 0 - 6.3-11.9 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (8.39, 1.38, 18.75 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 21 + QB ALA 20 OK 100 100 100 100 2.1-3.3 3.6=100 H ARG 17 + QB ALA 16 OK 51 51 100 100 2.0-3.4 3.6=100 H GLY 18 - QB ALA 16 poor 16 45 35 - 2.3-5.9 H GLY 18 - QB ALA 20 far 9 92 10 - 2.9-8.5 H ARG 17 - QB ALA 20 far 0 98 0 - 6.0-10.7 H GLY 21 - QB ALA 16 far 0 55 0 - 7.8-13.4 Violated in 0 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (8.21, 3.95, 45.26 ppm; 4.04 A): 2 out of 14 assignments used, quality = 1.00: * H SER 22 + HA2 GLY 21 OK 100 100 100 100 2.1-3.6 3.5=100 H SER 22 + HA3 GLY 21 OK 100 100 100 100 2.2-3.6 3.5=100 H GLU 25 - HA3 GLY 21 far 0 97 0 - 4.8-7.4 H GLU 25 - HA2 GLY 21 far 0 97 0 - 4.9-7.6 H SER 22 - HA3 GLY 18 far 0 67 0 - 7.1-12.8 H SER 22 - HA2 GLY 18 far 0 65 0 - 7.4-12.3 H THR 15 - HA3 GLY 18 far 0 65 0 - 7.8-12.9 H ALA 28 - HA3 GLY 21 far 0 100 0 - 8.2-11.2 H ALA 28 - HA2 GLY 21 far 0 100 0 - 8.3-11.5 H ALA 28 - HA2 GLY 18 far 0 65 0 - 8.4-17.0 H ALA 28 - HA3 GLY 18 far 0 67 0 - 8.5-16.4 H GLU 25 - HA3 GLY 18 far 0 62 0 - 8.6-14.9 H THR 15 - HA2 GLY 18 far 0 62 0 - 8.7-12.4 H GLU 25 - HA2 GLY 18 far 0 60 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 3728 from cnoeabs.peaks (8.21, 3.95, 45.26 ppm; 4.04 A): 2 out of 14 assignments used, quality = 1.00: * H SER 22 + HA3 GLY 21 OK 100 100 100 100 2.2-3.6 3.5=100 H SER 22 + HA2 GLY 21 OK 100 100 100 100 2.1-3.6 3.5=100 H GLU 25 - HA3 GLY 21 far 0 97 0 - 4.8-7.4 H GLU 25 - HA2 GLY 21 far 0 97 0 - 4.9-7.6 H SER 22 - HA3 GLY 18 far 0 70 0 - 7.1-12.8 H SER 22 - HA2 GLY 18 far 0 67 0 - 7.4-12.3 H THR 15 - HA3 GLY 18 far 0 67 0 - 7.8-12.9 H ALA 28 - HA3 GLY 21 far 0 100 0 - 8.2-11.2 H ALA 28 - HA2 GLY 21 far 0 100 0 - 8.3-11.5 H ALA 28 - HA2 GLY 18 far 0 67 0 - 8.4-17.0 H ALA 28 - HA3 GLY 18 far 0 69 0 - 8.5-16.4 H GLU 25 - HA3 GLY 18 far 0 65 0 - 8.6-14.9 H THR 15 - HA2 GLY 18 far 0 65 0 - 8.7-12.4 H GLU 25 - HA2 GLY 18 far 0 62 0 - 8.8-15.2 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (8.49, 4.45, 58.33 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + HA SER 22 OK 100 100 100 100 2.3-2.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 3730 from cnoeabs.peaks (8.49, 4.01, 63.89 ppm; 5.59 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + HB2 SER 22 OK 100 100 100 100 2.0-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (8.49, 3.89, 63.89 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + HB3 SER 22 OK 100 100 100 100 2.0-3.9 4.4=100 Violated in 0 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (8.34, 4.13, 58.01 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 24 + HA ARG 23 OK 100 100 100 100 3.4-3.6 3.6=100 H ASP 24 - HA ARG 27 far 0 74 0 - 7.1-8.1 H GLU 19 - HA ARG 23 far 0 93 0 - 8.6-14.5 H GLU 19 - HA ARG 27 far 0 64 0 - 9.7-18.0 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.50 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 24 + HB2 ARG 23 OK 100 100 100 100 2.3-4.0 4.2=100 H ASP 24 + HB3 ARG 23 OK 100 100 100 100 2.5-3.9 4.2=100 H ASP 24 - HB2 ARG 27 far 12 83 15 - 4.6-6.5 H ASP 24 - HB3 ARG 27 far 0 82 0 - 5.9-7.8 H ASP 24 - HB3 ARG 71 far 0 78 0 - 6.7-10.3 H ASP 24 - HB2 ARG 71 far 0 79 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (8.34, 1.85, 29.94 ppm; 4.50 A): 2 out of 6 assignments used, quality = 1.00: * H ASP 24 + HB3 ARG 23 OK 100 100 100 100 2.5-3.9 4.2=100 H ASP 24 + HB2 ARG 23 OK 100 100 100 100 2.3-4.0 4.2=100 H ASP 24 - HB2 ARG 27 far 12 83 15 - 4.6-6.5 H ASP 24 - HB3 ARG 27 far 0 83 0 - 5.9-7.8 H ASP 24 - HB3 ARG 71 far 0 79 0 - 6.7-10.3 H ASP 24 - HB2 ARG 71 far 0 79 0 - 7.2-9.8 Violated in 0 structures by 0.00 A. Peak 3739 from cnoeabs.peaks (8.20, 4.49, 56.18 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 25 + HA ASP 24 OK 100 100 100 100 3.4-3.5 3.6=100 H ARG 27 + HA ASP 24 OK 68 76 100 90 3.3-3.6 5383=53, 4.1/4157=34...(9) H ALA 28 - HA ASP 24 far 0 96 0 - 4.7-5.4 H SER 22 - HA ASP 24 far 0 97 0 - 6.4-7.5 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (8.20, 2.56, 40.55 ppm; 4.73 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 25 + HB2 ASP 24 OK 100 100 100 100 3.8-3.9 4.5=100 H ARG 27 + HB2 ASP 24 OK 31 76 50 82 4.5-5.4 5383/3.0=56, 4.1/5505=19...(7) H ALA 28 - HB2 ASP 24 far 0 96 0 - 5.1-5.8 H SER 22 - HB2 ASP 24 far 0 97 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (8.20, 2.59, 40.55 ppm; 4.87 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 25 + HB3 ASP 24 OK 100 100 100 100 3.0-3.9 4.5=100 H ARG 27 - HB3 ASP 24 far 0 76 0 - 5.4-5.8 H SER 22 - HB3 ASP 24 far 0 97 0 - 5.5-7.6 H ALA 28 - HB3 ASP 24 far 0 96 0 - 6.0-7.1 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (8.13, 4.09, 58.48 ppm; 3.36 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 26 + HA GLU 25 OK 98 100 100 98 3.5-3.6 3.6=84, 904/2.9=45...(8) H ARG 26 + HA ARG 26 OK 79 79 100 100 2.8-2.8 3.0=100 H ARG 71 + HA ARG 71 OK 61 61 100 100 2.8-2.9 2.9=100 H ASN 74 - HA ARG 71 poor 18 70 45 57 3.4-4.1 4.0/16010=23...(5) H ARG 26 - HA ARG 27 far 0 56 0 - 5.3-5.3 H ALA 78 - HA ARG 71 far 0 78 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 26 + HB2 GLU 25 OK 98 100 100 98 2.4-3.8 4.7=58, 904/521=56...(11) H ARG 26 + HB3 GLU 25 OK 98 100 100 98 2.7-4.1 4.7=58, 904/4.0=46...(11) H LEU 57 - HB3 PRO 56 far 0 40 0 - 4.5-4.6 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (8.13, 2.05, 29.32 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: H ARG 26 + HB2 GLU 25 OK 98 100 100 98 2.4-3.8 4.7=58, 904/522=56...(11) * H ARG 26 + HB3 GLU 25 OK 98 100 100 98 2.7-4.1 4.7=58, 904/4.0=46...(11) H LEU 57 - HB3 PRO 56 far 0 39 0 - 4.5-4.6 Violated in 0 structures by 0.00 A. Peak 3746 from cnoeabs.peaks (8.13, 2.30, 36.07 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 26 + HG3 GLU 25 OK 100 100 100 100 3.0-5.0 58/1.8=87, 3.6/1333=85...(7) H LEU 57 - HG3 GLU 59 far 0 57 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (8.18, 4.07, 58.59 ppm; 4.06 A): 4 out of 7 assignments used, quality = 1.00: * H ARG 27 + HA ARG 26 OK 100 100 100 100 3.5-3.5 3.6=100 H ARG 27 + HA GLU 25 OK 74 79 100 94 3.9-4.2 5380/3.6=67, 61=38...(9) H GLU 25 + HA GLU 25 OK 53 53 100 100 2.8-2.8 2.9=100 H ASN 74 + HA ARG 71 OK 41 56 100 74 3.4-4.1 4.0/16010=38...(5) H GLU 25 - HA ARG 26 far 0 76 0 - 5.3-5.5 H THR 15 - HA ARG 26 far 0 68 0 - 7.3-25.7 H THR 15 - HA GLU 25 far 0 47 0 - 8.8-23.4 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (8.18, 1.88, 29.99 ppm; 3.59 A): 4 out of 18 assignments used, quality = 0.98: * H ARG 27 + HB2 ARG 26 OK 82 100 90 91 2.7-4.0 5380/527=62, 63=54...(5) H ARG 27 + HB3 ARG 27 OK 56 56 100 99 3.1-3.6 4.1=69, 535/1.8=60...(19) H ARG 27 + HB2 ARG 27 OK 53 54 100 97 2.1-2.7 4.1=69, 538/2.9=26...(18) H ARG 27 + HB3 ARG 26 OK 42 100 45 94 3.8-4.1 5380/3.9=48, 63/1.8=48...(7) H GLU 25 - HB2 ARG 27 far 0 34 0 - 4.5-5.7 H GLU 25 - HB2 ARG 26 far 0 76 0 - 4.7-6.5 H ASN 74 - HB3 ARG 71 far 0 30 0 - 5.3-6.1 H GLU 25 - HB3 ARG 26 far 0 76 0 - 5.3-6.5 H ILE 89 - HB3 GLU 87 far 0 45 0 - 5.3-7.9 H ASN 74 - HB2 ARG 71 far 0 28 0 - 5.5-6.2 H GLU 25 - HB3 ARG 27 far 0 36 0 - 5.6-7.2 H GLU 25 - HB3 ARG 71 far 0 34 0 - 8.1-11.9 H THR 15 - HB3 ARG 26 far 0 68 0 - 8.3-27.7 H GLU 25 - HB2 ARG 71 far 0 32 0 - 8.4-11.2 H ARG 84 - HB3 GLU 87 far 0 31 0 - 8.7-12.9 H ARG 27 - HB2 ARG 71 far 0 51 0 - 8.8-11.7 H ARG 27 - HB3 ARG 71 far 0 54 0 - 8.9-12.0 H THR 15 - HB2 ARG 26 far 0 68 0 - 9.8-26.7 Violated in 0 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (8.21, 4.12, 58.29 ppm; 3.46 A): 3 out of 11 assignments used, quality = 0.99: * H ALA 28 + HA ARG 27 OK 98 100 100 98 3.5-3.5 3.6=91, 70/3.0=33...(10) H GLU 25 + HA GLU 25 OK 50 50 100 100 2.8-2.8 2.9=100 H ALA 28 + HA GLU 25 OK 46 56 100 83 3.4-3.6 5347=39, 2.9/4181=35...(9) H GLU 25 - HA ARG 23 far 0 67 0 - 3.9-4.5 H SER 22 - HA GLU 25 far 0 56 0 - 4.5-5.5 H SER 22 - HA ARG 23 far 0 74 0 - 4.8-5.8 H GLU 25 - HA ARG 27 far 0 96 0 - 6.6-7.1 H ALA 28 - HA ARG 23 far 0 74 0 - 6.8-8.0 H SER 22 - HA ARG 27 far 0 100 0 - 8.3-10.3 H THR 15 - HA GLU 25 far 0 52 0 - 8.8-23.4 H THR 15 - HA ARG 27 far 0 98 0 - 9.4-26.8 Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 2 out of 28 assignments used, quality = 0.98: * H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.8-3.6 70=62, 69/3.0=37...(13) H ALA 28 + HB3 ARG 27 OK 62 100 65 96 3.1-4.1 4.3=59, 70/1.8=48...(12) H SER 22 - HB2 ARG 26 far 0 54 0 - 4.4-7.7 H GLU 25 - HB2 ARG 27 far 0 96 0 - 4.5-5.7 H GLU 25 - HB2 ARG 23 far 0 75 0 - 4.6-5.6 H GLU 25 - HB3 ARG 23 far 0 76 0 - 4.7-5.7 H GLU 25 - HB2 ARG 26 far 0 48 0 - 4.7-6.5 H ALA 28 - HB2 ARG 26 far 0 54 0 - 4.8-5.5 H SER 22 - HB3 ARG 26 far 0 52 0 - 5.0-8.6 H ALA 28 - HB3 ARG 26 far 0 52 0 - 5.2-5.7 H GLU 25 - HB3 ARG 26 far 0 46 0 - 5.3-6.5 H GLU 25 - HB3 ARG 27 far 0 96 0 - 5.6-7.2 H SER 22 - HB2 ARG 23 far 0 83 0 - 6.3-7.3 H SER 22 - HB3 ARG 23 far 0 83 0 - 6.7-7.5 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.4-9.1 H THR 15 - HB3 PRO 34 far 0 43 0 - 7.4-24.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.8-9.4 H GLU 25 - HB3 ARG 71 far 0 95 0 - 8.1-11.9 H ALA 28 - HB2 ARG 23 far 0 83 0 - 8.1-9.9 H THR 15 - HB3 ARG 26 far 0 48 0 - 8.3-27.7 H GLU 25 - HB2 ARG 71 far 0 95 0 - 8.4-11.2 H SER 22 - HB3 ARG 27 far 0 100 0 - 8.9-10.7 H ALA 77 - HB3 ARG 71 far 0 94 0 - 8.9-11.0 H ALA 77 - HB2 ARG 71 far 0 94 0 - 9.3-11.7 H ALA 28 - HB2 ARG 71 far 0 100 0 - 9.6-12.5 H THR 15 - HB2 ARG 26 far 0 51 0 - 9.8-26.7 H ALA 12 - HB3 PRO 34 far 0 26 0 - 9.9-30.8 H ALA 28 - HB3 ARG 71 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (8.21, 1.85, 30.20 ppm; 3.64 A): 2 out of 28 assignments used, quality = 0.99: H ALA 28 + HB2 ARG 27 OK 96 100 100 96 2.8-3.6 70=62, 69/3.0=37...(13) * H ALA 28 + HB3 ARG 27 OK 62 100 65 96 3.1-4.1 4.3=59, 70/1.8=48...(12) H SER 22 - HB2 ARG 26 far 0 56 0 - 4.4-7.7 H GLU 25 - HB2 ARG 27 far 0 96 0 - 4.5-5.7 H GLU 25 - HB2 ARG 23 far 0 74 0 - 4.6-5.6 H GLU 25 - HB3 ARG 23 far 0 75 0 - 4.7-5.7 H GLU 25 - HB2 ARG 26 far 0 50 0 - 4.7-6.5 H ALA 28 - HB2 ARG 26 far 0 56 0 - 4.8-5.5 H SER 22 - HB3 ARG 26 far 0 54 0 - 5.0-8.6 H ALA 28 - HB3 ARG 26 far 0 54 0 - 5.2-5.7 H GLU 25 - HB3 ARG 26 far 0 48 0 - 5.3-6.5 H GLU 25 - HB3 ARG 27 far 0 96 0 - 5.6-7.2 H SER 22 - HB2 ARG 23 far 0 82 0 - 6.3-7.3 H SER 22 - HB3 ARG 23 far 0 83 0 - 6.7-7.5 H SER 22 - HB2 ARG 27 far 0 100 0 - 7.4-9.1 H THR 15 - HB3 PRO 34 far 0 45 0 - 7.4-24.2 H ALA 28 - HB3 ARG 23 far 0 83 0 - 7.8-9.4 H GLU 25 - HB3 ARG 71 far 0 95 0 - 8.1-11.9 H ALA 28 - HB2 ARG 23 far 0 82 0 - 8.1-9.9 H THR 15 - HB3 ARG 26 far 0 51 0 - 8.3-27.7 H GLU 25 - HB2 ARG 71 far 0 95 0 - 8.4-11.2 H SER 22 - HB3 ARG 27 far 0 100 0 - 8.9-10.7 H ALA 77 - HB3 ARG 71 far 0 94 0 - 8.9-11.0 H ALA 77 - HB2 ARG 71 far 0 94 0 - 9.3-11.7 H ALA 28 - HB2 ARG 71 far 0 100 0 - 9.6-12.5 H THR 15 - HB2 ARG 26 far 0 53 0 - 9.8-26.7 H ALA 12 - HB3 PRO 34 far 0 27 0 - 9.9-30.8 H ALA 28 - HB3 ARG 71 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (8.21, 1.63, 27.31 ppm; 5.23 A increased from 4.40 A): 3 out of 16 assignments used, quality = 1.00: H ALA 28 + HG3 ARG 27 OK 99 100 100 99 4.0-5.3 70/2.9=59, 69/3.8=54...(11) * H ALA 28 + HG2 ARG 27 OK 99 100 100 99 4.0-5.4 70/2.9=59, 69/3.8=54...(11) H GLU 25 + HG2 ARG 26 OK 34 82 45 91 4.7-6.7 904/529=73, 4833/3.0=37...(4) H GLU 25 - HG2 ARG 27 poor 19 96 20 - 4.2-7.8 H GLU 25 - HG3 ARG 27 poor 17 96 40 45 4.4-7.6 3.6/5346=26, 4833/2.9=24 H ALA 28 - HG2 ARG 26 far 9 89 10 - 4.7-7.0 H THR 15 - HG3 ARG 17 far 8 79 10 - 5.2-11.1 H SER 22 - HG2 ARG 26 poor 7 89 30 27 4.1-6.8 4152/5925=12...(4) H THR 15 - HG2 ARG 17 far 4 78 5 - 4.9-10.7 H SER 22 - HG3 ARG 27 far 0 100 0 - 7.3-11.4 H SER 22 - HG2 ARG 27 far 0 100 0 - 7.5-11.4 H ALA 28 - HG3 ARG 17 far 0 83 0 - 8.3-18.2 H THR 15 - HG2 ARG 26 far 0 85 0 - 8.5-27.4 H ALA 77 - HG3 ARG 70 far 0 64 0 - 9.1-12.1 H SER 22 - HG3 ARG 17 far 0 83 0 - 9.2-16.6 H ALA 28 - HG2 ARG 17 far 0 82 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (7.95, 3.96, 54.22 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HA ALA 28 OK 100 100 100 100 3.6-3.6 3.6=100 H LYS 32 - HA ALA 28 far 0 97 0 - 4.4-4.7 H ASP 67 - HA ALA 28 far 0 81 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (7.95, 1.34, 17.80 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + QB ALA 28 OK 100 100 100 100 2.1-2.3 78=100, 76/2.9=55...(9) H LYS 32 - QB ALA 28 far 0 97 0 - 4.7-4.9 H ASP 67 - QB ALA 28 far 0 81 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (7.98, 4.16, 56.71 ppm; 3.48 A): 3 out of 5 assignments used, quality = 1.00: * H ALA 30 + HA LEU 29 OK 100 100 100 100 3.5-3.5 3.6=92, 908/3.0=65...(12) H LYS 73 + HA LYS 73 OK 81 81 100 100 2.8-2.9 3.0=100 H VAL 76 + HA LYS 73 OK 31 64 95 51 3.1-3.9 5431=25, 4.0/15432=22...(4) H GLY 72 - HA LYS 73 far 0 88 0 - 4.9-5.5 H ARG 69 - HA LYS 73 far 0 91 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (7.98, 1.72, 41.88 ppm; 3.82 A increased from 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + HB2 LEU 29 OK 100 100 100 100 3.5-3.6 81=100, 908/546=63...(13) Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (7.98, 1.58, 41.88 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.98: H ALA 63 + HB3 LEU 62 OK 98 98 100 100 2.8-3.4 257=96, 3907/1.8=74...(11) ! H ALA 30 - HB3 LEU 29 far 0 100 0 - 4.1-4.2 H ARG 69 - HB3 LEU 62 far 0 99 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (7.98, 1.67, 26.82 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + HG LEU 29 OK 100 100 100 100 2.2-2.4 83=100, 908/548=85...(13) Violated in 0 structures by 0.00 A. Peak 3767 from cnoeabs.peaks (7.98, 0.88, 24.48 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 30 + QD1 LEU 29 OK 100 100 100 100 3.0-3.3 84=89, 83/2.1=86...(14) H ALA 63 + QD1 LEU 62 OK 98 98 100 100 4.2-4.8 260=93, 3907/3.1=80...(11) H VAL 76 - QD1 LEU 86 far 0 71 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 3768 from cnoeabs.peaks (7.98, 0.84, 23.57 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 30 + QD2 LEU 29 OK 100 100 100 100 3.8-4.0 85=100, 83/2.1=91...(17) Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (7.71, 4.13, 53.99 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H MET 31 + HA ALA 30 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (7.71, 1.45, 18.15 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H MET 31 + QB ALA 30 OK 100 100 100 100 2.4-2.7 3.6=100 H GLN 61 - QB ALA 30 far 0 71 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (7.94, 4.42, 55.00 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 32 + HA MET 31 OK 100 100 100 100 3.3-3.3 3.6=100 H LEU 29 - HA MET 31 far 0 97 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (7.94, 1.94, 32.66 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 32 + HB2 MET 31 OK 100 100 100 100 3.4-3.5 4.7=100 H LEU 29 - HB2 MET 31 far 0 97 0 - 5.5-6.0 H ASP 67 - HB2 MET 31 far 0 97 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (7.94, 2.07, 32.66 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 32 + HB3 MET 31 OK 99 100 100 99 4.1-4.3 4.7=77, 90/3.0=75...(7) H VAL 76 + HB VAL 76 OK 48 48 100 100 2.6-3.6 4.0=100 H LEU 29 - HB3 MET 31 far 0 97 0 - 7.2-7.6 H ASP 67 - HB3 MET 31 far 0 97 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (7.94, 2.63, 32.57 ppm; 5.78 A increased from 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 32 + HG2 MET 31 OK 100 100 100 100 5.1-5.5 4.9=100 H LEU 29 - HG2 MET 31 far 0 97 0 - 6.5-7.5 H ASP 67 - HG2 MET 31 far 0 97 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (7.94, 2.52, 32.57 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 32 + HG3 MET 31 OK 100 100 100 100 4.5-4.8 4.9=100 H LEU 29 - HG3 MET 31 far 0 97 0 - 5.9-7.2 H ASP 67 - HG3 MET 31 far 0 97 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 3776 from cnoeabs.peaks (7.91, 3.98, 56.13 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.93: * H ILE 33 + HA LYS 32 OK 93 100 100 93 2.5-2.7 96=90, 3779/1558=22, 574/5543=19 Violated in 0 structures by 0.00 A. Peak 3777 from cnoeabs.peaks (7.91, 1.77, 30.20 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 33 + HB2 LYS 32 OK 100 100 100 100 4.3-4.4 4.3=100 H ILE 33 + HB3 LYS 32 OK 100 100 100 100 4.3-4.5 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (7.91, 1.77, 30.20 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: H ILE 33 + HB2 LYS 32 OK 100 100 100 100 4.3-4.4 4.3=100 * H ILE 33 + HB3 LYS 32 OK 100 100 100 100 4.3-4.5 4.3=100 H ILE 33 - HB2 PRO 34 far 0 65 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (7.91, 1.28, 24.60 ppm; 4.93 A increased from 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 33 + HG2 LYS 32 OK 100 100 100 100 4.8-4.9 99=91, 3776/1558=86, 4.6/564=61 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (6.31, 1.76, 26.58 ppm; 6.04 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 35 + HG2 PRO 34 OK 100 100 100 100 3.0-4.5 109/1.8=100, 110/2.3=99...(10) Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (8.81, 4.61, 62.34 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HA PRO 36 OK 100 100 100 100 2.2-2.3 112=100, 119/4290=28...(6) Violated in 0 structures by 0.00 A. Peak 3795 from cnoeabs.peaks (8.81, 2.12, 32.41 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HB2 PRO 36 OK 100 100 100 100 2.9-3.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.81, 2.45, 32.41 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H THR 37 + HB3 PRO 36 OK 100 100 100 100 3.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3797 from cnoeabs.peaks (8.81, 2.09, 27.61 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: * H THR 37 + HG2 PRO 36 OK 100 100 100 100 4.6-4.9 115=100, 112/3.8=88...(4) H THR 37 + HG3 PRO 36 OK 69 100 70 99 5.3-5.6 112/3.8=88, 115/1.8=85 Violated in 0 structures by 0.00 A. Peak 3798 from cnoeabs.peaks (8.81, 2.10, 27.61 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: H THR 37 + HG2 PRO 36 OK 100 100 100 100 4.6-4.9 115=100, 112/3.8=88...(4) * H THR 37 + HG3 PRO 36 OK 69 100 70 99 5.3-5.6 112/3.8=88, 115/1.8=85 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (8.70, 3.94, 64.91 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + HA THR 37 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (8.70, 4.22, 68.34 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + HB THR 37 OK 100 100 100 100 3.7-4.1 121=100, 119/3.8=58...(4) Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (8.70, 1.17, 22.48 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 38 + QG2 THR 37 OK 100 100 100 100 1.9-3.9 4.1=100 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (7.39, 4.28, 56.69 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA ASP 38 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (7.39, 2.62, 40.03 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB2 ASP 38 OK 100 100 100 100 2.6-4.0 4.7=100 H LYS 39 + HB3 ASP 38 OK 100 100 100 100 2.5-4.1 4.7=100 Violated in 0 structures by 0.00 A. Peak 3804 from cnoeabs.peaks (7.39, 2.62, 40.03 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB3 ASP 38 OK 100 100 100 100 2.5-4.1 4.7=100 H LYS 39 + HB2 ASP 38 OK 100 100 100 100 2.6-4.0 4.7=100 Violated in 0 structures by 0.00 A. Peak 3805 from cnoeabs.peaks (7.24, 4.25, 57.41 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HA LYS 39 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3806 from cnoeabs.peaks (7.24, 1.85, 32.41 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 40 + HB2 LYS 39 OK 100 100 100 100 2.6-3.4 4.4=100 HE ARG 54 - HB2 LYS 39 far 0 78 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (7.24, 1.78, 32.41 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 40 + HB3 LYS 39 OK 100 100 100 100 3.7-4.0 4.4=100 Violated in 0 structures by 0.00 A. Peak 3814 from cnoeabs.peaks (7.63, 3.63, 64.52 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 41 + HA ILE 40 OK 100 100 100 100 3.5-3.6 3.6=100 HD21 ASN 42 - HA ILE 40 far 0 100 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (7.63, 2.12, 38.15 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 41 + HB ILE 40 OK 100 100 100 100 2.5-2.8 139=100, 915/603=63...(12) HD21 ASN 42 - HB ILE 40 far 0 100 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 3816 from cnoeabs.peaks (7.63, 0.93, 18.83 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 41 + QG2 ILE 40 OK 100 100 100 100 3.4-3.7 4.4=98, 139/2.1=88...(11) HD21 ASN 42 - QG2 ILE 40 far 0 100 0 - 6.5-7.4 HD21 ASN 74 - QG2 ILE 40 far 0 92 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 3817 from cnoeabs.peaks (7.63, 1.90, 28.19 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 41 + HG12 ILE 40 OK 100 100 100 100 4.2-4.3 139/2.9=95, 915/605=94...(9) HD21 ASN 42 - HG12 ILE 40 far 0 100 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (7.72, 3.58, 65.23 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + HA VAL 41 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (7.72, 1.93, 32.20 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + HB VAL 41 OK 100 100 100 100 2.5-2.9 146=100, 147/2.1=67...(11) Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (7.72, 0.80, 21.38 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + QG1 VAL 41 OK 100 100 100 100 3.6-3.8 4.1=100 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (7.72, 0.94, 22.13 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 42 + QG2 VAL 41 OK 100 100 100 100 3.5-3.8 4.1=100 Violated in 0 structures by 0.00 A. Peak 3824 from cnoeabs.peaks (7.52, 4.68, 53.88 ppm; 3.42 A increased from 3.22 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 43 + HA ASN 42 OK 97 100 100 97 3.3-3.6 3.6=88, 149/3.0=55...(4) HD21 ASN 80 - HA ASN 42 far 0 71 0 - 6.2-12.7 Violated in 2 structures by 0.01 A. Peak 3825 from cnoeabs.peaks (7.52, 2.76, 39.67 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 ASN 42 OK 100 100 100 100 2.3-3.5 4.4=100 H LEU 43 + HB3 ASN 42 OK 100 100 100 100 3.0-4.3 4.4=100 HD21 ASN 80 - HB3 ASN 42 far 0 71 0 - 8.6-15.3 HD21 ASN 80 - HB2 ASN 42 far 0 71 0 - 9.0-15.5 Violated in 0 structures by 0.00 A. Peak 3826 from cnoeabs.peaks (7.52, 2.76, 39.67 ppm; 4.57 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 ASN 42 OK 100 100 100 100 3.0-4.3 4.4=100 H LEU 43 + HB2 ASN 42 OK 100 100 100 100 2.3-3.5 4.4=100 HD21 ASN 80 - HB3 ASN 42 far 0 71 0 - 8.6-15.3 HD21 ASN 80 - HB2 ASN 42 far 0 71 0 - 9.0-15.5 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (8.62, 4.57, 62.40 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + HA PRO 44 OK 100 100 100 100 2.4-2.5 155=100, 156/2.3=47...(7) H ASN 49 - HA PRO 44 far 0 68 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (8.62, 2.48, 32.30 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + HB2 PRO 44 OK 100 100 100 100 3.3-3.5 4.2=100 H ASN 49 - HB2 PRO 44 far 0 68 0 - 7.7-7.8 Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (8.62, 2.09, 32.30 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 45 + HB3 PRO 44 OK 100 100 100 100 2.3-2.7 4.2=100 H ASN 49 - HB3 PRO 44 far 0 68 0 - 6.3-6.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.5=100 H PHE 48 + HA VAL 45 OK 98 100 100 98 3.8-4.1 4451=55, 642/4406=52...(7) Violated in 0 structures by 0.00 A. Peak 3835 from cnoeabs.peaks (8.77, 2.06, 31.70 ppm; 4.09 A increased from 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + HB VAL 45 OK 100 100 100 100 3.9-3.9 166/2.1=92, 4.4=78...(9) H PHE 48 - HB VAL 45 far 0 100 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (8.77, 1.07, 22.09 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + QG2 VAL 45 OK 100 100 100 100 4.0-4.1 165=100, 166/2.1=94...(8) H PHE 48 - QG2 VAL 45 far 0 100 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (8.77, 0.99, 19.47 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 46 + QG1 VAL 45 OK 100 100 100 100 2.2-2.3 166=100, 165/2.1=46...(11) H PHE 48 - QG1 VAL 45 far 0 100 0 - 5.0-5.2 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (7.27, 4.49, 57.78 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HA ASP 46 OK 100 100 100 100 3.6-3.6 3.6=100 HE ARG 54 - HA ASP 46 far 0 100 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (7.27, 2.70, 39.53 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB2 ASP 46 OK 100 100 100 100 2.6-3.4 169=100, 170/1.8=99...(6) HE ARG 54 - HB2 ASP 46 far 0 100 0 - 8.8-14.7 Violated in 0 structures by 0.00 A. Peak 3840 from cnoeabs.peaks (7.27, 2.55, 39.53 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HB3 ASP 46 OK 100 100 100 100 2.1-2.7 170=100, 169/1.8=95...(6) HE ARG 54 - HB3 ASP 46 far 0 100 0 - 8.9-13.9 Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (8.77, 4.39, 56.46 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + HA ASP 47 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 46 - HA ASP 47 far 0 100 0 - 5.3-5.3 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (8.77, 2.67, 40.94 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB2 ASP 47 OK 100 100 100 100 3.2-3.6 4.3=100 H ASP 46 - HB2 ASP 47 far 15 100 15 - 4.6-6.1 Violated in 0 structures by 0.00 A. Peak 3843 from cnoeabs.peaks (8.77, 2.59, 40.94 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 48 + HB3 ASP 47 OK 100 100 100 100 2.6-2.9 4.3=100 H ASP 46 + HB3 ASP 47 OK 78 100 85 92 4.5-5.4 919/638=89, 164/4444=26 Violated in 0 structures by 0.00 A. Peak 3844 from cnoeabs.peaks (8.65, 4.03, 60.97 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HA PHE 48 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 45 - HA PHE 48 far 0 68 0 - 7.1-7.2 Violated in 0 structures by 0.00 A. Peak 3845 from cnoeabs.peaks (8.65, 3.13, 38.68 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HB2 PHE 48 OK 100 100 100 100 2.5-2.8 177=100, 180/2.5=68...(8) H VAL 45 - HB2 PHE 48 far 0 68 0 - 4.6-4.8 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (8.65, 2.88, 38.68 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 49 + HB3 PHE 48 OK 100 100 100 100 3.9-4.1 4.3=100 H VAL 45 - HB3 PHE 48 far 0 68 0 - 5.3-5.6 Violated in 0 structures by 0.00 A. Peak 3848 from cnoeabs.peaks (7.73, 4.14, 55.66 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + HA ASN 49 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3849 from cnoeabs.peaks (7.73, 2.90, 37.13 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + HB2 ASN 49 OK 100 100 100 100 2.8-3.0 4.2=100 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (7.73, 2.68, 37.13 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 50 + HB3 ASN 49 OK 100 100 100 100 3.2-3.6 4.2=100 Violated in 0 structures by 0.00 A. Peak 3851 from cnoeabs.peaks (7.53, 3.96, 59.12 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 51 + HA GLU 50 OK 100 100 100 100 3.4-3.5 3.6=100 H ARG 54 + HA GLU 50 OK 73 100 80 91 4.3-4.6 209/4962=70, 926/4549=69 Violated in 0 structures by 0.00 A. Peak 3852 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 51 + HB2 GLU 50 OK 100 100 100 100 2.7-3.8 923/654=73, 189=72...(13) H LEU 51 + HB3 GLU 50 OK 84 100 85 99 3.5-4.3 190/1.8=64, 4.7=60...(11) H ARG 54 - HB3 GLU 50 far 0 100 0 - 4.7-5.3 H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.7-6.3 H LEU 43 - HB2 GLU 50 far 0 97 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (7.53, 2.04, 29.07 ppm; 3.93 A): 2 out of 5 assignments used, quality = 1.00: H LEU 51 + HB2 GLU 50 OK 100 100 100 100 2.7-3.8 923/654=73, 189=72...(13) * H LEU 51 + HB3 GLU 50 OK 84 100 85 99 3.5-4.3 190/1.8=64, 4.7=60...(11) H ARG 54 - HB3 GLU 50 far 0 100 0 - 4.7-5.3 H ARG 54 - HB2 GLU 50 far 0 100 0 - 5.7-6.3 H LEU 43 - HB2 GLU 50 far 0 97 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3855 from cnoeabs.peaks (7.53, 2.21, 36.01 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 51 + HG3 GLU 50 OK 100 100 100 100 2.4-4.8 192=94, 923/656=80...(8) H ARG 54 - HG3 GLU 50 far 0 100 0 - 5.2-7.5 H LEU 43 - HG3 GLU 50 far 0 97 0 - 9.9-12.9 Violated in 1 structures by 0.00 A. Peak 3856 from cnoeabs.peaks (7.43, 3.89, 57.93 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + HA LEU 51 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3857 from cnoeabs.peaks (7.43, 1.32, 41.26 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 52 + HB2 LEU 51 OK 100 100 100 100 3.8-4.0 196/1.8=86, 193/659=68...(8) H LEU 52 + HB2 LEU 52 OK 61 61 100 100 3.6-3.6 3.9=99, 667/1.8=89...(8) HE21 GLN 61 - HB2 LEU 52 far 0 30 0 - 8.4-10.9 H LEU 64 - HB2 LEU 52 far 0 56 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (7.43, 1.60, 41.26 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 52 + HB3 LEU 51 OK 100 100 100 100 2.5-2.8 196=100, 193/660=67...(11) Violated in 0 structures by 0.00 A. Peak 3860 from cnoeabs.peaks (7.43, 0.19, 24.73 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 52 + QD2 LEU 51 OK 100 100 100 100 4.0-4.6 4.6=100 HE21 GLN 61 - QD2 LEU 51 far 0 60 0 - 8.3-9.7 H LEU 64 - QD2 LEU 51 far 0 97 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 3861 from cnoeabs.peaks (7.43, 0.62, 23.89 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 52 + QD1 LEU 51 OK 100 100 100 100 4.3-4.6 4.6=100 HE21 GLN 61 - QD1 LEU 51 far 0 60 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 H ILE 40 - HA LEU 52 far 0 76 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (7.22, 1.33, 40.92 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 53 + HB2 LEU 52 OK 100 100 100 100 3.6-3.8 202=100, 203/1.8=92...(9) H ALA 53 - HB2 LEU 51 far 0 61 0 - 5.7-5.9 H ILE 40 - HB2 LEU 51 far 0 39 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 3864 from cnoeabs.peaks (7.22, 1.47, 40.92 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 53 + HB3 LEU 52 OK 100 100 100 100 2.6-2.8 203=100, 202/1.8=84...(10) Violated in 0 structures by 0.00 A. Peak 3865 from cnoeabs.peaks (7.22, 1.20, 26.33 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + HG LEU 52 OK 100 100 100 100 4.2-4.4 204=100, 200/668=95...(9) H ILE 40 - HG LEU 52 far 0 76 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (7.22, 0.44, 24.59 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + QD1 LEU 52 OK 100 100 100 100 4.4-4.6 205=92, 203/3.1=77...(10) H ILE 40 - QD1 LEU 52 far 0 76 0 - 8.8-9.4 Violated in 2 structures by 0.01 A. Peak 3867 from cnoeabs.peaks (7.22, 0.51, 22.90 ppm; 4.95 A increased from 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 53 + QD2 LEU 52 OK 100 100 100 100 4.7-4.7 206=96, 3.6/2287=87...(10) H ILE 40 - QD2 LEU 52 far 0 76 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 3868 from cnoeabs.peaks (7.53, 4.16, 52.94 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 54 + HA ALA 53 OK 100 100 100 100 3.3-3.5 3.6=100 H LEU 51 - HA ALA 53 far 0 100 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (7.53, 1.39, 18.28 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 54 + QB ALA 53 OK 100 100 100 100 2.6-3.3 3.6=100 H LEU 51 - QB ALA 53 far 0 100 0 - 4.9-5.1 HD21 ASN 80 - QB ALA 78 far 0 49 0 - 5.7-8.1 Violated in 0 structures by 0.00 A. Peak 3870 from cnoeabs.peaks (7.69, 4.01, 57.13 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + HA ARG 54 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3871 from cnoeabs.peaks (7.69, 1.76, 30.94 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 55 + HB2 ARG 54 OK 100 100 100 100 2.6-3.1 212=100, 213/1.8=90...(9) H TYR 55 - HB2 PRO 34 far 0 51 0 - 6.7-7.8 H MET 31 - HB3 ARG 17 far 0 38 0 - 8.0-19.3 Violated in 0 structures by 0.00 A. Peak 3872 from cnoeabs.peaks (7.69, 1.55, 30.94 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 55 + HB3 ARG 54 OK 100 100 100 100 3.2-3.6 213=100, 212/1.8=91...(9) Violated in 0 structures by 0.00 A. Peak 3879 from cnoeabs.peaks (8.15, 4.67, 61.99 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HA PRO 56 OK 100 100 100 100 2.4-2.4 218=100, 693/4990=13...(5) Violated in 0 structures by 0.00 A. Peak 3880 from cnoeabs.peaks (8.15, 2.09, 29.60 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HB2 PRO 56 OK 100 100 100 100 4.2-4.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 3881 from cnoeabs.peaks (8.15, 2.03, 29.60 ppm; 4.31 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 57 + HB3 PRO 56 OK 100 100 100 100 4.5-4.6 4.0=100 H ARG 26 + HB2 GLU 25 OK 40 40 100 99 2.4-3.8 4.7=80, 904/4.0=46...(10) H ARG 26 + HB3 GLU 25 OK 38 39 100 99 2.7-4.1 4.7=80, 904/4.0=46...(10) H ARG 27 - HB2 GLU 25 far 3 30 10 - 4.6-5.7 H ARG 27 - HB3 GLU 25 far 0 29 0 - 4.8-5.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.2 4.2=100 Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (9.06, 1.47, 44.00 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + HB3 LEU 57 OK 100 100 100 100 2.3-3.4 4.2=100 Violated in 0 structures by 0.00 A. Peak 3888 from cnoeabs.peaks (9.06, 0.71, 23.03 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H THR 58 + QD2 LEU 57 OK 100 100 100 100 3.3-3.8 230=100, 226/2457=78...(11) Violated in 0 structures by 0.00 A. Peak 3890 from cnoeabs.peaks (9.11, 4.43, 60.59 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + HA THR 58 OK 100 100 100 100 2.3-2.5 233=100, 234/3.0=57...(6) Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (9.11, 1.31, 21.61 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 59 + QG2 THR 58 OK 100 100 100 100 3.2-3.6 235=100, 234/2.1=88...(9) Violated in 0 structures by 0.00 A. Peak 3894 from cnoeabs.peaks (8.51, 2.09, 28.98 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: * H SER 60 + HB2 GLU 59 OK 100 100 100 100 3.1-4.0 4.6=100 H SER 60 + HB3 GLU 59 OK 100 100 100 100 3.3-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (8.51, 2.09, 28.98 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: H SER 60 + HB2 GLU 59 OK 100 100 100 100 3.1-4.0 4.6=100 * H SER 60 + HB3 GLU 59 OK 100 100 100 100 3.3-4.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 3898 from cnoeabs.peaks (7.68, 4.28, 61.17 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 61 + HA SER 60 OK 100 100 100 100 3.5-3.6 3.6=100 H MET 31 - HA SER 60 far 0 71 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3899 from cnoeabs.peaks (7.68, 3.84, 62.16 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 61 + HB2 SER 60 OK 100 100 100 100 2.6-3.8 4.4=100 H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.8-4.0 4.4=100 H MET 31 - HB3 SER 60 far 0 71 0 - 7.8-9.8 H MET 31 - HB2 SER 60 far 0 71 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 3900 from cnoeabs.peaks (7.68, 3.84, 62.16 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: H GLN 61 + HB2 SER 60 OK 100 100 100 100 2.6-3.8 4.4=100 * H GLN 61 + HB3 SER 60 OK 100 100 100 100 2.8-4.0 4.4=100 H MET 31 - HB3 SER 60 far 0 71 0 - 7.8-9.8 H MET 31 - HB2 SER 60 far 0 71 0 - 8.2-10.2 Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (8.82, 3.96, 59.26 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HA GLN 61 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3902 from cnoeabs.peaks (8.82, 2.53, 30.35 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HB2 GLN 61 OK 100 100 100 100 2.4-2.6 248=100, 249/1.8=92...(10) Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (8.82, 1.66, 30.35 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HB3 GLN 61 OK 100 100 100 100 3.3-3.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 3904 from cnoeabs.peaks (8.82, 2.60, 34.98 ppm; 6.03 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + HG2 GLN 61 OK 100 100 100 100 4.0-4.6 250=100, 248/3.0=99...(7) Violated in 0 structures by 0.00 A. Peak 3906 from cnoeabs.peaks (7.98, 3.92, 57.93 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 63 + HA LEU 62 OK 100 100 100 100 3.5-3.6 3.6=100 H ARG 69 - HA LEU 62 far 0 100 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 3907 from cnoeabs.peaks (7.98, 1.75, 41.88 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 63 + HB2 LEU 62 OK 100 100 100 100 2.7-3.3 256=92, 258/1.8=69...(12) Violated in 0 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (7.98, 1.59, 41.88 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 63 + HB3 LEU 62 OK 100 100 100 100 2.8-3.4 257=81, 3907/1.8=67...(11) H LEU 29 + HB3 LEU 29 OK 63 65 100 98 2.8-2.8 547=67, 546/1.8=42...(11) H ALA 30 - HB3 LEU 29 far 0 98 0 - 4.1-4.2 H ARG 69 - HB3 LEU 62 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (7.98, 1.57, 26.98 ppm; 5.03 A increased from 4.73 A): 1 out of 11 assignments used, quality = 1.00: * H ALA 63 + HG LEU 62 OK 100 100 100 100 4.9-5.0 3907/3.0=92, 258/3.0=91...(9) H ARG 69 - HG LEU 64 far 0 64 0 - 5.9-6.4 H ALA 63 - HG LEU 64 far 0 66 0 - 7.0-7.2 H ARG 70 - HG LEU 64 far 0 39 0 - 7.8-8.6 H ALA 30 - HG LEU 64 far 0 64 0 - 7.9-8.6 H LEU 29 - HG LEU 64 far 0 37 0 - 8.2-8.8 H GLY 72 - HG LEU 64 far 0 57 0 - 8.2-9.4 H ALA 30 - HG3 ARG 23 far 0 43 0 - 9.6-12.9 H GLY 72 - HG3 ARG 23 far 0 38 0 - 9.6-14.9 H LEU 29 - HG3 ARG 23 far 0 24 0 - 9.8-12.7 H ARG 69 - HG LEU 62 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 3910 from cnoeabs.peaks (7.98, 0.93, 24.73 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 63 + QD2 LEU 62 OK 100 100 100 100 4.2-4.9 259=99, 3907/3.1=88...(11) H ARG 69 - QD2 LEU 62 far 0 100 0 - 8.0-9.9 H ARG 70 - QD2 LEU 62 far 0 71 0 - 9.3-11.3 Violated in 2 structures by 0.00 A. Peak 3911 from cnoeabs.peaks (7.98, 0.87, 24.45 ppm; 3.96 A): 3 out of 4 assignments used, quality = 1.00: H ALA 30 + QD1 LEU 29 OK 98 98 100 100 3.0-3.3 83/2.1=71, 81/1506=63...(14) * H ALA 63 + QD1 LEU 62 OK 90 100 90 100 4.2-4.8 3907/3.1=67, 258/3.1=65...(11) H LEU 29 + QD1 LEU 29 OK 66 66 100 100 3.6-3.7 549=68, 548/2.1=62...(11) H VAL 76 - QD1 LEU 86 far 0 73 0 - 9.8-25.2 Violated in 0 structures by 0.00 A. Peak 3912 from cnoeabs.peaks (7.42, 4.06, 55.02 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HA ALA 63 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3913 from cnoeabs.peaks (7.42, 1.49, 17.50 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + QB ALA 63 OK 100 100 100 100 2.3-2.8 263=100, 934/726=63...(11) Violated in 0 structures by 0.00 A. Peak 3914 from cnoeabs.peaks (8.38, 4.26, 57.87 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + HA LEU 64 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3915 from cnoeabs.peaks (8.38, 1.97, 41.01 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + HB2 LEU 64 OK 100 100 100 100 2.6-2.8 266=100, 267/1.8=76...(13) Violated in 0 structures by 0.00 A. Peak 3916 from cnoeabs.peaks (8.38, 1.70, 41.01 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + HB3 LEU 64 OK 100 100 100 100 4.0-4.1 267=100, 266/1.8=95...(13) Violated in 0 structures by 0.00 A. Peak 3917 from cnoeabs.peaks (8.38, 1.54, 27.08 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 65 + HG LEU 64 OK 100 100 100 100 3.8-4.0 268=100, 266/3.0=90...(9) H VAL 65 - HG LEU 62 far 3 66 5 - 5.2-5.8 H GLY 21 - HG3 ARG 23 far 0 87 0 - 7.0-11.3 Violated in 0 structures by 0.00 A. Peak 3918 from cnoeabs.peaks (8.38, 0.84, 25.67 ppm; 5.67 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 65 + QD2 LEU 64 OK 100 100 100 100 3.3-3.8 269=100, 268/2.1=99...(13) H GLY 18 - QD2 LEU 64 far 0 87 0 - 8.9-16.9 H ARG 17 - QD2 LEU 64 far 0 99 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 3919 from cnoeabs.peaks (8.38, 0.95, 23.35 ppm; 4.95 A increased from 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 65 + QD1 LEU 64 OK 100 100 100 100 4.8-4.9 270=98, 269/2.1=91...(12) Violated in 0 structures by 0.00 A. Peak 3920 from cnoeabs.peaks (8.59, 3.63, 67.03 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HA VAL 65 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (8.59, 2.39, 31.50 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + HB VAL 65 OK 100 100 100 100 2.8-3.0 273=100, 271/736=69...(10) Violated in 0 structures by 0.00 A. Peak 3922 from cnoeabs.peaks (8.59, 1.23, 22.65 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 66 + QG1 VAL 65 OK 100 100 100 100 3.8-3.9 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-3.8 4.1=100 Violated in 0 structures by 0.00 A. Peak 3924 from cnoeabs.peaks (7.93, 3.98, 60.19 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 67 + HA ARG 66 OK 100 100 100 100 3.5-3.5 3.6=100 H ARG 70 + HA ARG 66 OK 47 78 65 93 4.0-5.1 940/5379=57, 4.3/5047=50...(5) Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (7.93, 1.88, 29.95 ppm; 4.42 A): 1 out of 23 assignments used, quality = 1.00: * H ASP 67 + HB2 ARG 66 OK 100 100 100 100 3.7-3.9 278=100, 279/1.8=76...(10) H ARG 70 - HB2 ARG 71 poor 9 36 25 - 4.4-6.4 H ARG 70 - HB3 ARG 71 far 2 38 5 - 4.5-6.4 H ARG 70 - HB2 ARG 66 far 0 78 0 - 5.0-6.1 H LEU 29 - HB2 ARG 27 far 0 40 0 - 5.5-6.1 H LEU 29 - HB3 ARG 26 far 0 79 0 - 5.6-6.1 H LEU 29 - HB3 ARG 27 far 0 42 0 - 5.7-6.5 H LEU 29 - HB2 ARG 26 far 0 79 0 - 5.8-6.2 H ASP 67 - HB2 ARG 71 far 0 55 0 - 6.4-8.4 H ASP 67 - HB3 ARG 71 far 0 57 0 - 6.6-8.7 H VAL 76 - HB3 ARG 71 far 0 27 0 - 7.4-10.2 H LYS 32 - HB3 ARG 27 far 0 56 0 - 7.5-8.0 H ILE 33 - HB3 ARG 27 far 0 36 0 - 7.6-8.6 H ASP 67 - HB3 ARG 27 far 0 61 0 - 7.7-8.5 H ILE 33 - HB2 ARG 27 far 0 34 0 - 7.8-9.4 H LYS 32 - HB2 ARG 27 far 0 54 0 - 7.8-8.9 H VAL 76 - HB2 ARG 71 far 0 26 0 - 7.9-9.4 H ASP 67 - HB2 ARG 27 far 0 58 0 - 8.4-9.8 H LYS 32 - HB3 ARG 26 far 0 96 0 - 8.5-9.6 H LYS 32 - HB2 ARG 26 far 0 96 0 - 8.5-9.6 H ILE 33 - HB3 ARG 26 far 0 69 0 - 9.7-10.8 H ARG 70 - HB2 ARG 27 far 0 39 0 - 9.9-12.2 H LEU 29 - HB3 ARG 23 far 0 44 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3926 from cnoeabs.peaks (7.93, 1.94, 29.95 ppm; 3.50 A): 3 out of 8 assignments used, quality = 1.00: * H ASP 67 + HB3 ARG 66 OK 99 100 100 99 2.9-3.0 279=66, 278/1.8=59...(13) H ARG 70 + HB3 ARG 70 OK 62 64 100 98 2.3-3.6 4.1=64, 768/1.8=41...(17) H ARG 70 + HB2 ARG 70 OK 62 64 100 97 2.6-3.6 4.1=64, 770/2.9=30...(17) H ASP 67 - HB3 ARG 70 far 0 89 0 - 5.1-7.8 H ASP 67 - HB2 ARG 70 far 0 89 0 - 5.8-7.5 H ARG 70 - HB3 ARG 66 far 0 78 0 - 5.9-6.8 H VAL 76 - HB3 ARG 70 far 0 48 0 - 8.5-10.4 H VAL 76 - HB2 ARG 70 far 0 48 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3927 from cnoeabs.peaks (7.93, 2.01, 28.91 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 67 + HG2 ARG 66 OK 100 100 100 100 4.4-4.7 280=100, 937/743=92...(11) H VAL 76 - HB3 GLN 79 far 0 48 0 - 6.0-8.6 H ARG 70 - HG2 ARG 66 far 0 78 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 3931 from cnoeabs.peaks (8.44, 4.48, 57.73 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HA ASP 67 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3932 from cnoeabs.peaks (8.44, 2.90, 41.70 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HB2 ASP 67 OK 100 100 100 100 3.1-3.6 286=100, 287/1.8=86...(7) Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (8.44, 2.84, 41.70 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 68 + HB3 ASP 67 OK 100 100 100 100 2.4-3.0 287=100, 286/1.8=90...(9) Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (7.98, 3.51, 65.41 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 69 + HA ILE 68 OK 100 100 100 100 3.5-3.5 3.6=100 H GLY 72 + HA ILE 68 OK 96 99 100 98 2.9-4.5 5845=67, 942/5389=53...(10) H LYS 73 - HA ILE 68 far 0 93 0 - 5.5-6.6 H VAL 76 - HA ILE 68 far 0 76 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 3935 from cnoeabs.peaks (7.98, 1.90, 38.07 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 69 + HB ILE 68 OK 100 100 100 100 2.6-3.0 290=100, 291/2.1=72...(11) H GLY 72 - HB ILE 68 far 0 99 0 - 5.3-6.1 H LYS 73 - HB ILE 68 far 0 93 0 - 7.1-8.0 H ALA 63 - HB ILE 68 far 0 100 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (7.98, 0.81, 17.06 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * H ARG 69 + QG2 ILE 68 OK 100 100 100 100 3.3-3.6 291=100, 290/2.1=87...(15) H GLY 72 + QG2 ILE 68 OK 89 99 95 95 3.3-4.4 5492/4751=45, 5056=45...(11) H LYS 73 - QG2 ILE 68 far 0 93 0 - 5.2-5.9 H VAL 76 - QG2 ILE 68 far 0 76 0 - 7.6-9.7 H ALA 30 - QG2 ILE 68 far 0 100 0 - 8.6-9.5 H ALA 63 - QG2 ILE 68 far 0 100 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 3939 from cnoeabs.peaks (7.98, 0.78, 13.95 ppm; 4.75 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 69 + QD1 ILE 68 OK 100 100 100 100 4.4-4.8 290/3.2=85, 291/2.9=81...(9) H GLY 72 - QD1 ILE 68 far 0 99 0 - 6.1-7.1 H ALA 30 - QD1 ILE 68 far 0 100 0 - 6.3-7.2 H ALA 63 - QD1 ILE 68 far 0 100 0 - 7.2-7.7 H LYS 73 - QD1 ILE 68 far 0 93 0 - 8.0-8.6 Violated in 1 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (7.95, 3.63, 59.20 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HA ARG 69 OK 100 100 100 100 3.5-3.6 3.6=100 H ASP 67 - HA ARG 69 far 0 78 0 - 6.6-6.9 H VAL 76 - HA ARG 69 far 0 99 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 3941 from cnoeabs.peaks (7.95, 1.80, 29.46 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 70 + HB2 ARG 69 OK 100 100 100 100 2.3-3.6 297=100, 298/1.8=81...(13) H ASP 67 - HB2 ARG 69 far 0 78 0 - 4.9-5.7 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (7.95, 1.39, 29.46 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 70 + HB3 ARG 69 OK 100 100 100 100 2.2-4.1 4.3=100 H ASP 67 - HB3 ARG 69 far 0 78 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (7.95, 1.24, 27.02 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * H ARG 70 + HG2 ARG 69 OK 100 100 100 100 3.3-4.2 5829=83, 297/3.0=71...(12) H LYS 32 - HG13 ILE 33 far 0 56 0 - 5.2-5.4 H LEU 29 - HG13 ILE 33 far 0 63 0 - 5.4-5.6 H ASP 67 - HG2 ARG 69 far 0 78 0 - 7.3-8.1 H VAL 76 - HG2 ARG 69 far 0 99 0 - 8.4-10.2 H ASP 67 - HG13 ILE 33 far 0 42 0 - 8.8-9.0 H ALA 63 - HG13 ILE 33 far 0 37 0 - 9.1-9.6 Violated in 3 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (7.95, 1.38, 27.02 ppm; 5.16 A increased from 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 70 + HG3 ARG 69 OK 100 100 100 100 4.5-4.9 3943/1.8=97, 297/3.0=92...(13) H ASP 67 - HG3 ARG 69 far 0 78 0 - 7.3-8.2 H VAL 76 - HG3 ARG 69 far 0 99 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 3948 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 4.05 A increased from 3.82 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.1-4.2 4.4=77, 307/2.9=57...(12) H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.3-4.0 4.4=77, 307/2.9=57...(12) H LYS 75 - HB3 ARG 70 far 0 92 0 - 7.0-9.0 H ARG 71 - HB3 ARG 66 far 0 89 0 - 7.4-8.6 H LYS 75 - HB2 ARG 70 far 0 92 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (8.11, 1.95, 29.80 ppm; 4.05 A increased from 3.82 A): 2 out of 5 assignments used, quality = 1.00: H ARG 71 + HB2 ARG 70 OK 99 100 100 99 2.1-4.2 4.4=77, 307/2.9=57...(12) * H ARG 71 + HB3 ARG 70 OK 99 100 100 99 2.3-4.0 4.4=77, 307/2.9=57...(12) H LYS 75 - HB3 ARG 70 far 0 92 0 - 7.0-9.0 H ARG 71 - HB3 ARG 66 far 0 89 0 - 7.4-8.6 H LYS 75 - HB2 ARG 70 far 0 92 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (7.99, 4.08, 58.40 ppm; 3.71 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 72 + HA ARG 71 OK 100 100 100 100 3.4-3.6 3.6=100 H ALA 30 + HA ARG 26 OK 83 87 100 95 3.7-4.0 908/4184=51, 81/5348=35...(9) H LYS 73 - HA ARG 71 far 15 99 15 - 3.9-5.0 H ARG 69 - HA ARG 71 far 0 99 0 - 6.5-7.0 H ALA 30 - HA GLU 25 far 0 90 0 - 6.5-6.7 H GLY 72 - HA GLU 25 far 0 93 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 2 out of 22 assignments used, quality = 1.00: * H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.1-4.1 4.4=99, 942/776=77...(10) H GLY 72 + HB3 ARG 71 OK 100 100 100 100 2.7-4.1 4.4=99, 942/4.0=64...(9) H LYS 73 - HB2 ARG 71 poor 20 99 20 - 4.5-6.3 H ARG 69 - HB2 ARG 71 poor 20 99 20 - 4.5-7.2 H LYS 73 - HB3 ARG 71 far 0 99 0 - 4.8-6.2 H ARG 69 - HB3 ARG 71 far 0 99 0 - 4.8-7.3 H ALA 30 - HB3 ARG 26 far 0 46 0 - 4.8-6.0 H ALA 30 - HB2 ARG 26 far 0 49 0 - 4.8-5.9 H ARG 69 - HB2 ARG 66 far 0 52 0 - 5.3-5.8 H ALA 30 - HB3 ARG 27 far 0 98 0 - 5.6-5.8 H ALA 30 - HB2 ARG 27 far 0 99 0 - 5.7-6.0 H ALA 30 - HB2 ARG 17 far 0 49 0 - 6.3-19.8 H ALA 63 - HB2 ARG 66 far 0 48 0 - 6.9-7.2 H ARG 69 - HB2 ARG 27 far 0 99 0 - 8.4-10.3 H GLY 72 - HB2 ARG 66 far 0 55 0 - 8.6-10.4 H ARG 69 - HB3 ARG 27 far 0 98 0 - 8.6-9.4 H GLY 72 - HB2 ARG 27 far 0 100 0 - 8.7-11.2 H GLY 72 - HB2 ARG 23 far 0 79 0 - 9.1-13.8 H GLY 72 - HB3 ARG 27 far 0 100 0 - 9.2-11.0 H GLY 72 - HB3 ARG 23 far 0 79 0 - 9.4-12.5 H LYS 73 - HB2 ARG 66 far 0 53 0 - 9.6-10.8 H ALA 30 - HB3 ARG 23 far 0 76 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (7.99, 1.85, 30.22 ppm; 4.39 A): 2 out of 22 assignments used, quality = 1.00: H GLY 72 + HB2 ARG 71 OK 100 100 100 100 2.1-4.1 4.4=99, 942/776=77...(10) * H GLY 72 + HB3 ARG 71 OK 100 100 100 100 2.7-4.1 4.4=99, 942/4.0=64...(9) H LYS 73 - HB2 ARG 71 poor 20 99 20 - 4.5-6.3 H ARG 69 - HB2 ARG 71 poor 20 99 20 - 4.5-7.2 H LYS 73 - HB3 ARG 71 far 0 99 0 - 4.8-6.2 H ARG 69 - HB3 ARG 71 far 0 99 0 - 4.8-7.3 H ALA 30 - HB3 ARG 26 far 0 49 0 - 4.8-6.0 H ALA 30 - HB2 ARG 26 far 0 51 0 - 4.8-5.9 H ARG 69 - HB2 ARG 66 far 0 54 0 - 5.3-5.8 H ALA 30 - HB3 ARG 27 far 0 99 0 - 5.6-5.8 H ALA 30 - HB2 ARG 27 far 0 98 0 - 5.7-6.0 H ALA 30 - HB2 ARG 17 far 0 48 0 - 6.3-19.8 H ALA 63 - HB2 ARG 66 far 0 50 0 - 6.9-7.2 H ARG 69 - HB2 ARG 27 far 0 98 0 - 8.4-10.3 H GLY 72 - HB2 ARG 66 far 0 57 0 - 8.6-10.4 H ARG 69 - HB3 ARG 27 far 0 99 0 - 8.6-9.4 H GLY 72 - HB2 ARG 27 far 0 100 0 - 8.7-11.2 H GLY 72 - HB2 ARG 23 far 0 78 0 - 9.1-13.8 H GLY 72 - HB3 ARG 27 far 0 100 0 - 9.2-11.0 H GLY 72 - HB3 ARG 23 far 0 79 0 - 9.4-12.5 H LYS 73 - HB2 ARG 66 far 0 55 0 - 9.6-10.8 H ALA 30 - HB3 ARG 23 far 0 75 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (7.99, 1.62, 28.82 ppm; 5.34 A increased from 4.50 A): 4 out of 11 assignments used, quality = 1.00: * H GLY 72 + HG2 ARG 71 OK 100 100 100 100 2.0-5.3 5.0=100 H LYS 73 + HD2 LYS 73 OK 92 96 95 100 4.5-5.7 787/3.5=93, 788/3.5=89...(20) H LYS 73 + HD3 LYS 73 OK 82 96 85 100 3.3-5.8 787/3.5=93, 788/3.5=89...(17) H ARG 69 + HG2 ARG 71 OK 22 99 25 90 4.4-7.3 5825/2920=67...(6) H LYS 73 - HG2 ARG 71 poor 20 99 20 - 4.5-7.5 H GLY 72 - HD3 LYS 73 far 5 98 5 - 5.6-8.4 H ARG 69 - HD3 LYS 73 far 0 95 0 - 6.5-11.1 H GLY 72 - HD2 LYS 73 far 0 98 0 - 6.5-8.3 H ALA 30 - HD2 LYS 32 far 0 95 0 - 7.3-8.8 H ARG 69 - HD2 LYS 73 far 0 95 0 - 7.4-10.8 H ALA 30 - HD3 LYS 32 far 0 97 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 3961 from cnoeabs.peaks (8.00, 3.96, 46.02 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: H GLY 72 + HA2 GLY 72 OK 99 99 100 100 2.3-2.9 3.0=100 * H LYS 73 + HA2 GLY 72 OK 99 100 100 99 2.7-3.6 3.6=97, 3962/1.8=36...(5) H ARG 69 - HA2 GLY 72 far 0 93 0 - 5.2-8.0 Violated in 0 structures by 0.00 A. Peak 3962 from cnoeabs.peaks (8.00, 3.74, 46.02 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: H GLY 72 + HA3 GLY 72 OK 99 99 100 100 2.3-2.9 3.0=100 * H LYS 73 + HA3 GLY 72 OK 99 100 100 99 2.7-3.6 3.6=96, 3961/1.8=36...(5) H ARG 69 - HA3 GLY 72 far 0 93 0 - 5.3-8.0 Violated in 0 structures by 0.00 A. Peak 3963 from cnoeabs.peaks (8.15, 4.18, 56.67 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.99: * H ASN 74 + HA LYS 73 OK 99 99 100 100 3.5-3.6 3.6=100 H ALA 78 - HA LYS 73 far 0 99 0 - 6.3-8.0 H THR 88 - HA ARG 84 far 0 75 0 - 7.0-12.9 H ARG 27 - HA LEU 29 far 0 41 0 - 7.2-7.4 H ALA 78 - HA ARG 84 far 0 97 0 - 7.7-17.1 H ARG 26 - HA LEU 29 far 0 50 0 - 7.8-7.8 H THR 88 - HA ARG 82 far 0 37 0 - 9.4-19.9 H ALA 78 - HA ARG 82 far 0 53 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 3964 from cnoeabs.peaks (8.15, 1.82, 32.45 ppm; 5.10 A): 2 out of 7 assignments used, quality = 1.00: * H ASN 74 + HB2 LYS 73 OK 100 100 100 100 2.8-3.8 4.3=100 H ASN 74 + HB2 LYS 75 OK 44 77 85 68 4.5-6.1 4.6/803=56, 3965/1.8=26 H THR 88 - HB2 LYS 85 far 0 56 0 - 5.4-11.3 H ALA 78 - HB2 LYS 75 far 0 76 0 - 5.6-8.1 H ALA 78 - HB2 LYS 73 far 0 100 0 - 7.9-10.0 H ILE 89 - HB2 LYS 85 far 0 56 0 - 8.7-14.6 H ALA 78 - HB2 LYS 85 far 0 77 0 - 9.7-21.5 Violated in 0 structures by 0.00 A. Peak 3965 from cnoeabs.peaks (8.15, 1.78, 32.45 ppm; 5.33 A): 2 out of 10 assignments used, quality = 1.00: * H ASN 74 + HB3 LYS 73 OK 100 100 100 100 2.4-3.4 4.3=100 H ASN 74 + HB3 LYS 75 OK 53 93 100 58 4.5-5.5 4.6/804=42, 3964/1.8=26 H ALA 78 - HB3 LYS 75 far 14 92 15 - 5.4-9.1 H THR 88 - HB2 LYS 85 far 2 46 5 - 5.4-11.3 H ALA 78 - HB3 LYS 73 far 0 100 0 - 6.6-8.7 H THR 88 - HB2 LYS 83 far 0 74 0 - 7.0-17.1 H ALA 78 - HB2 LYS 83 far 0 96 0 - 7.5-14.9 H ILE 89 - HB2 LYS 83 far 0 74 0 - 8.6-20.1 H ILE 89 - HB2 LYS 85 far 0 46 0 - 8.7-14.6 H ALA 78 - HB2 LYS 85 far 0 65 0 - 9.7-21.5 Violated in 0 structures by 0.00 A. Peak 3972 from cnoeabs.peaks (8.09, 4.62, 53.40 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 75 + HA ASN 74 OK 100 100 100 100 3.4-3.5 3.6=100 H ARG 71 - HA ASN 74 far 0 92 0 - 6.9-7.8 H LYS 85 - HA ASN 80 far 0 91 0 - 7.4-15.8 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (8.09, 2.81, 38.52 ppm; 4.99 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 75 + HB2 ASN 74 OK 100 100 100 100 2.8-4.2 4.6=100 H LYS 75 + HB3 ASN 74 OK 57 57 100 100 2.6-4.2 4.6=100 H ARG 71 + HB2 ASN 74 OK 30 92 35 94 4.5-6.9 2.9/16010=70, ~16009=50...(5) H ARG 71 - HB3 ASN 74 poor 12 48 25 - 4.8-7.3 Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (8.09, 2.78, 38.52 ppm; 5.14 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 75 + HB3 ASN 74 OK 100 100 100 100 2.6-4.2 4.6=100 H LYS 75 + HB2 ASN 74 OK 57 57 100 100 2.8-4.2 4.6=100 H ARG 71 + HB2 ASN 74 OK 23 48 55 90 4.5-6.9 ~16009=53, 2.9/5836=41...(5) H ARG 71 + HB3 ASN 74 OK 22 92 25 95 4.8-7.3 2.9/16009=71, ~16010=54...(5) H LYS 85 - HB3 ASN 80 far 0 59 0 - 7.3-15.9 H LYS 75 - HB3 ASN 80 far 0 69 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 3975 from cnoeabs.peaks (7.96, 4.24, 56.87 ppm; 3.64 A increased from 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 76 + HA LYS 75 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3976 from cnoeabs.peaks (7.96, 1.84, 32.59 ppm; 4.15 A): 1 out of 8 assignments used, quality = 1.00: * H VAL 76 + HB2 LYS 75 OK 100 100 100 100 2.6-3.7 340=100, 341/1.8=80...(9) H ARG 70 - HB2 LYS 73 far 4 74 5 - 4.4-5.6 H VAL 76 - HB2 LYS 73 far 0 77 0 - 5.4-6.3 H ARG 69 - HB2 LYS 73 far 0 51 0 - 6.3-7.2 H ARG 70 - HB2 LYS 75 far 0 99 0 - 8.6-11.3 H ARG 69 - HB2 LYS 39 far 0 60 0 - 9.4-10.1 H ARG 69 - HB2 LYS 75 far 0 76 0 - 9.4-12.3 H ASP 67 - HB2 LYS 73 far 0 39 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (7.96, 1.79, 32.59 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * H VAL 76 + HB3 LYS 75 OK 100 100 100 100 2.1-4.0 341=97, 340/1.8=82...(9) H VAL 76 - HB3 LYS 73 far 0 93 0 - 4.7-5.7 H ARG 70 - HB3 LYS 73 far 0 90 0 - 5.5-7.2 H ARG 69 - HB3 LYS 73 far 0 65 0 - 7.3-8.8 H ARG 70 - HB3 LYS 75 far 0 99 0 - 8.4-10.1 H LYS 32 - HB2 LYS 13 far 0 72 0 - 8.5-24.7 H ARG 69 - HB3 LYS 75 far 0 76 0 - 9.1-11.0 Violated in 1 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (8.23, 3.97, 62.83 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 77 + HA VAL 76 OK 100 100 100 100 2.2-3.5 349=100, 5411/3.0=47...(11) H GLN 79 - HA VAL 76 poor 19 97 35 55 3.3-4.2 4.0/16011=27...(7) Violated in 0 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (8.23, 2.04, 32.56 ppm; 4.61 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 77 + HB VAL 76 OK 100 100 100 100 3.7-4.4 4.4=100 H GLN 79 - HB VAL 76 poor 19 97 20 - 3.8-6.6 H ALA 28 - HB3 MET 31 far 0 57 0 - 7.0-7.5 H THR 15 - HB3 MET 31 far 0 44 0 - 9.5-27.9 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (8.23, 0.92, 20.62 ppm; 4.81 A): 3 out of 9 assignments used, quality = 1.00: * H ALA 77 + QG1 VAL 76 OK 100 100 100 100 2.4-4.4 4.3=100 H ALA 77 + QG2 VAL 76 OK 100 100 100 100 3.1-4.2 4.3=100 H GLN 79 + QG2 VAL 76 OK 69 97 100 72 2.9-5.0 4.6/5861=30, 4.0/5373=26...(6) H GLN 79 - QG1 VAL 76 poor 19 97 20 - 4.6-6.0 H ARG 84 - QG1 VAL 90 far 0 44 0 - 8.0-19.5 H ARG 84 - QG2 VAL 76 far 0 65 0 - 8.1-15.2 H ARG 84 - QG2 VAL 90 far 0 42 0 - 9.4-19.4 H THR 15 - QG2 VAL 90 far 0 52 0 - 9.5-66.4 H ALA 12 - QG2 VAL 90 far 0 67 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. Peak 3987 from cnoeabs.peaks (8.23, 0.92, 20.67 ppm; 4.81 A): 3 out of 9 assignments used, quality = 1.00: * H ALA 77 + QG2 VAL 76 OK 100 100 100 100 3.1-4.2 4.3=100 H ALA 77 + QG1 VAL 76 OK 100 100 100 100 2.4-4.4 4.3=100 H GLN 79 + QG2 VAL 76 OK 70 97 100 72 2.9-5.0 4.6/5861=30, 4.0/5373=26...(6) H GLN 79 - QG1 VAL 76 poor 19 97 20 - 4.6-6.0 H ARG 84 - QG1 VAL 90 far 0 41 0 - 8.0-19.5 H ARG 84 - QG2 VAL 76 far 0 65 0 - 8.1-15.2 H ARG 84 - QG2 VAL 90 far 0 40 0 - 9.4-19.4 H THR 15 - QG2 VAL 90 far 0 49 0 - 9.5-66.4 H ALA 12 - QG2 VAL 90 far 0 63 0 - 9.9-72.2 Violated in 0 structures by 0.00 A. Peak 3988 from cnoeabs.peaks (8.15, 4.23, 52.70 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 78 + HA ALA 77 OK 100 100 100 100 3.4-3.6 3.6=100 H ALA 78 + HA ALA 78 OK 54 54 100 100 2.8-2.9 2.9=100 H ARG 26 - HA ALA 20 far 0 40 0 - 4.6-10.8 H ASN 74 - HA ALA 77 far 0 100 0 - 6.1-7.3 H ASN 74 - HA ALA 78 far 0 54 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 3989 from cnoeabs.peaks (8.15, 1.38, 18.78 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * H ALA 78 + QB ALA 77 OK 100 100 100 100 2.5-3.1 3.6=100 H ALA 78 + QB ALA 78 OK 92 92 100 100 2.0-2.3 2.9=100 H ASN 74 - QB ALA 77 far 0 100 0 - 4.1-5.3 H ARG 26 - QB ALA 20 far 0 88 0 - 4.4-9.0 H ASN 74 - QB ALA 78 far 0 91 0 - 6.3-9.4 H ARG 26 - QB ALA 16 far 0 50 0 - 7.8-15.8 Violated in 0 structures by 0.00 A. Peak 3990 from cnoeabs.peaks (8.22, 4.21, 52.88 ppm; 3.79 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 79 + HA ALA 78 OK 100 100 100 100 3.4-3.6 3.6=100 H ALA 77 + HA ALA 77 OK 53 53 100 100 2.8-2.9 3.0=100 H GLN 79 - HA ALA 77 poor 15 57 55 48 3.5-5.2 4.6/6154=24, 5857/3.6=22...(5) H ALA 77 - HA ALA 78 far 0 98 0 - 4.6-5.3 H ARG 84 - HA ALA 78 far 0 87 0 - 6.8-13.5 H ARG 84 - HA ALA 77 far 0 43 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 3992 from cnoeabs.peaks (8.04, 4.18, 56.27 ppm; 4.20 A): 1 out of 7 assignments used, quality = 1.00: * H ARG 82 + HA ARG 82 OK 100 100 100 100 2.3-2.9 3.0=100 H TYR 81 - HA GLN 79 lone 6 76 95 8 3.6-5.9 5882=5, 3.9/5886=2 H ARG 82 - HA GLN 79 far 4 76 5 - 4.1-8.0 H TYR 81 - HA ARG 82 far 0 100 0 - 5.2-6.3 H TYR 81 - HA ARG 84 far 0 81 0 - 5.5-11.7 H ARG 82 - HA ARG 84 far 0 81 0 - 6.2-9.2 H TYR 81 - HA LYS 73 far 0 57 0 - 8.4-11.8 Violated in 0 structures by 0.00 A. Peak 3999 from cnoeabs.peaks (8.20, 4.24, 56.21 ppm; 5.03 A): 2 out of 9 assignments used, quality = 1.00: * H ARG 84 + HA LYS 83 OK 100 100 100 100 2.1-2.6 3.6=100 H ARG 84 + HA LYS 85 OK 24 73 65 50 4.7-6.3 ~377=50 H SER 22 - HA GLU 19 far 0 84 0 - 6.3-9.3 H ILE 89 - HA LYS 85 far 0 43 0 - 7.6-13.0 H GLN 79 - HA LYS 83 far 0 89 0 - 8.2-13.3 H GLU 25 - HA GLU 19 far 0 92 0 - 8.3-12.7 H GLN 79 - HA LYS 85 far 0 59 0 - 8.4-19.7 H ALA 28 - HA GLU 19 far 0 82 0 - 9.4-15.6 H ARG 27 - HA GLU 19 far 0 69 0 - 9.6-15.5 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (8.11, 4.18, 56.53 ppm; 4.05 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 85 + HA ARG 84 OK 100 100 100 100 2.1-3.6 3.6=100 H LYS 75 + HA LYS 73 OK 40 86 95 49 3.6-4.5 4.6/5431=34...(3) H ARG 71 - HA LYS 73 far 0 96 0 - 6.6-7.3 H THR 88 - HA ARG 84 far 0 68 0 - 7.0-12.9 H LYS 85 - HA ARG 82 far 0 80 0 - 7.4-9.9 H ARG 26 - HA LEU 29 far 0 37 0 - 7.8-7.8 H THR 88 - HA ARG 82 far 0 47 0 - 9.4-19.9 Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (8.27, 4.23, 56.47 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 86 + HA LYS 85 OK 100 100 100 100 2.2-3.0 3.6=100 H LEU 86 - HA LYS 83 far 0 73 0 - 4.4-9.4 H ASN 80 - HA LYS 83 far 0 57 0 - 6.8-11.6 H VAL 90 - HA LYS 85 far 0 100 0 - 9.5-16.2 H ASN 80 - HA LYS 85 far 0 87 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 4024 from cnoeabs.peaks (8.42, 4.30, 55.05 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA LEU 86 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (8.13, 4.32, 56.44 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * H THR 88 + HA GLU 87 OK 100 100 100 100 2.1-3.3 3.6=100 H LYS 85 - HA GLU 87 far 0 68 0 - 5.6-8.8 Violated in 0 structures by 0.00 A. Peak 4031 from cnoeabs.peaks (8.13, 2.03, 30.25 ppm; 5.84 A): 1 out of 4 assignments used, quality = 1.00: * H THR 88 + HB2 GLU 87 OK 100 100 100 100 2.3-4.5 4.6=100 H LYS 85 - HB2 GLU 87 far 7 68 10 - 5.9-10.2 H ARG 26 - HB3 GLU 19 far 4 89 5 - 6.1-14.4 H THR 88 - HB3 GLN 91 far 0 91 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 4032 from cnoeabs.peaks (8.13, 1.91, 30.25 ppm; 4.54 A): 3 out of 6 assignments used, quality = 1.00: * H THR 88 + HB3 GLU 87 OK 100 100 100 100 2.0-4.5 4.6=94, 402/3.0=84...(6) H ARG 26 + HB3 ARG 26 OK 48 48 100 100 2.5-3.6 3.9=100 H ARG 26 + HB2 ARG 26 OK 46 46 100 100 2.4-3.6 3.9=100 H LYS 85 - HB3 GLU 87 far 3 68 5 - 4.4-10.5 H ARG 26 - HB2 GLU 19 far 0 92 0 - 7.5-14.3 H THR 88 - HB2 GLN 91 far 0 89 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (8.17, 4.28, 61.88 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 89 + HA THR 88 OK 100 100 100 100 2.1-2.5 3.5=100 H ARG 84 - HA THR 88 far 0 68 0 - 10.0-15.7 Violated in 0 structures by 0.00 A. Peak 4037 from cnoeabs.peaks (8.17, 1.15, 21.44 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 89 + QG2 THR 88 OK 100 100 100 100 2.1-4.1 3.9=100 H ARG 84 - QG2 THR 88 far 0 68 0 - 8.1-13.7 Violated in 0 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (8.27, 4.17, 60.86 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 90 + HA ILE 89 OK 100 100 100 100 2.1-3.3 412=100, 3.9/5432=5, 4.0/5430=2 H LEU 86 - HA ILE 89 far 0 100 0 - 8.4-12.4 Violated in 1 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (8.27, 0.84, 17.06 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 90 + QG2 ILE 89 OK 100 100 100 100 2.1-4.3 4.4=100 H LEU 86 - QG2 ILE 89 far 0 100 0 - 7.3-12.3 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (8.03, 4.08, 62.21 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 91 + HA VAL 90 OK 100 100 100 100 2.1-3.0 419=100, 3.6/3641=8 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (8.03, 2.02, 32.55 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 91 + HB VAL 90 OK 100 100 100 100 2.2-4.5 4.4=100 H TYR 81 - HB VAL 76 far 0 54 0 - 6.4-9.8 H ARG 82 - HB VAL 76 far 0 57 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 4046 from cnoeabs.peaks (8.03, 0.90, 20.53 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * H GLN 91 + QG1 VAL 90 OK 100 100 100 100 2.2-4.0 4.1=100 H GLN 91 + QG2 VAL 90 OK 100 100 100 100 2.1-4.2 4.1=100 H TYR 81 - QG2 VAL 76 far 3 60 5 - 4.3-7.1 H ARG 82 - QG2 VAL 76 far 0 63 0 - 6.1-10.8 H TYR 81 - QG1 VAL 76 far 0 63 0 - 6.9-9.0 H ARG 82 - QG1 VAL 76 far 0 66 0 - 8.7-12.3 H ARG 82 - QG2 VAL 90 far 0 92 0 - 9.6-24.0 H ARG 82 - QG1 VAL 90 far 0 92 0 - 9.7-24.2 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (8.03, 0.90, 20.53 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * H GLN 91 + QG2 VAL 90 OK 100 100 100 100 2.1-4.2 4.1=100 H GLN 91 + QG1 VAL 90 OK 100 100 100 100 2.2-4.0 4.1=100 H TYR 81 - QG2 VAL 76 far 3 58 5 - 4.3-7.1 H ARG 82 - QG2 VAL 76 far 0 61 0 - 6.1-10.8 H TYR 81 - QG1 VAL 76 far 0 61 0 - 6.9-9.0 H ARG 82 - QG1 VAL 76 far 0 64 0 - 8.7-12.3 H ARG 82 - QG2 VAL 90 far 0 92 0 - 9.6-24.0 H ARG 82 - QG1 VAL 90 far 0 92 0 - 9.7-24.2 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (1.36, 3.95, 45.26 ppm; 4.91 A): 2 out of 14 assignments used, quality = 1.00: QB ALA 20 + HA2 GLY 21 OK 93 93 100 100 3.7-4.3 4.8=100 QB ALA 20 + HA3 GLY 21 OK 93 93 100 100 3.6-4.8 4.8=100 QB ALA 20 - HA2 GLY 18 poor 17 56 30 - 4.4-7.6 QB ALA 16 - HA3 GLY 18 poor 13 66 20 - 4.3-6.8 QB ALA 20 - HA3 GLY 18 poor 12 58 20 - 3.6-7.7 QB ALA 16 - HA2 GLY 18 lone 1 64 40 3 3.7-7.5 3717/3.0=2 QB ALA 28 - HA3 GLY 18 far 0 40 0 - 5.8-13.7 QB ALA 28 - HA2 GLY 18 far 0 39 0 - 6.4-14.4 QB ALA 28 - HA3 GLY 21 far 0 71 0 - 7.0-10.0 QB ALA 16 - HA2 GLY 21 far 0 100 0 - 7.3-14.4 QB ALA 28 - HA2 GLY 21 far 0 71 0 - 7.3-10.1 QB ALA 16 - HA3 GLY 21 far 0 100 0 - 7.6-14.3 HG3 LYS 75 - HA2 GLY 18 far 0 37 0 - 8.9-27.0 HG3 LYS 75 - HA3 GLY 18 far 0 38 0 - 9.4-27.5 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (1.76, 3.95, 45.26 ppm; 5.80 A increased from 5.16 A): 2 out of 18 assignments used, quality = 0.61: HB3 ARG 17 + HA2 GLY 18 OK 38 50 100 75 4.2-6.0 1.8/5496=44, ~5496=31...(5) HB3 ARG 17 + HA3 GLY 18 OK 37 52 95 74 3.9-6.1 1.8/5496=39, ~5496=36...(5) HG3 ARG 26 - HA2 GLY 21 poor 11 95 45 26 3.7-8.8 5926/4151=10...(4) HG3 ARG 26 - HA3 GLY 21 lone 6 94 35 19 4.9-9.4 5926/4151=7, ~5495=4...(4) HG3 ARG 26 - HA3 GLY 18 far 3 59 5 - 5.6-14.3 HG3 ARG 26 - HA2 GLY 18 far 0 57 0 - 6.2-14.6 HB3 ARG 17 - HA3 GLY 21 far 0 87 0 - 6.3-14.3 HB3 LYS 39 - HA3 GLY 18 far 0 47 0 - 6.6-21.9 HB ILE 33 - HA3 GLY 18 far 0 65 0 - 6.8-18.5 HB2 PRO 34 - HA3 GLY 18 far 0 52 0 - 6.9-21.7 HB2 PRO 34 - HA2 GLY 18 far 0 50 0 - 7.1-23.1 HB3 ARG 17 - HA2 GLY 21 far 0 87 0 - 7.2-14.9 HB ILE 33 - HA2 GLY 18 far 0 62 0 - 7.9-19.5 HB3 LYS 39 - HA2 GLY 18 far 0 45 0 - 8.1-22.4 HG2 PRO 34 - HA3 GLY 18 far 0 67 0 - 9.0-22.6 HB3 LYS 75 - HA2 GLY 18 far 0 37 0 - 9.3-27.2 HG2 PRO 34 - HA2 GLY 18 far 0 65 0 - 9.4-23.9 HB3 LYS 75 - HA3 GLY 18 far 0 38 0 - 9.9-27.8 Violated in 0 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (2.05, 3.95, 45.26 ppm; 4.68 A): 3 out of 13 assignments used, quality = 0.76: HB2 GLU 25 + HA2 GLY 21 OK 43 100 80 54 3.2-6.1 4152/3.5=29, 3.0/5284=18...(5) HB3 GLU 25 + HA2 GLY 21 OK 40 100 75 53 3.4-6.7 4152/3.5=28, 3.0/5284=18...(5) HB2 GLU 25 + HA3 GLY 21 OK 29 100 55 53 3.0-5.8 4152/3.5=29, 3.0/5284=18...(5) HB3 GLU 25 - HA3 GLY 21 poor 18 100 35 52 3.3-6.4 4152/3.5=28, 3.0/5284=18...(5) HB3 GLU 19 - HA2 GLY 18 poor 12 54 45 50 4.4-6.5 3.9/25=27, 3.0/4800=12...(7) HB3 GLU 19 - HA3 GLY 18 far 6 56 10 - 4.9-6.6 HB3 GLU 19 - HA2 GLY 21 lone 0 92 25 1 4.2-9.4 HB3 GLU 19 - HA3 GLY 21 far 0 92 0 - 5.1-8.9 HB3 GLU 25 - HA2 GLY 18 far 0 65 0 - 5.6-12.6 HB3 GLU 25 - HA3 GLY 18 far 0 67 0 - 5.9-12.1 HB2 GLU 25 - HA2 GLY 18 far 0 65 0 - 7.1-13.1 HB2 GLU 25 - HA3 GLY 18 far 0 67 0 - 7.1-12.7 HB VAL 76 - HA2 GLY 18 far 0 61 0 - 9.0-29.4 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (2.05, 4.45, 58.33 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.97: HB2 GLU 25 + HA SER 22 OK 97 100 100 98 3.8-4.6 4154/3.0=51, 4155/3.0=41...(14) HB3 GLU 19 - HA SER 22 far 0 97 0 - 5.0-12.4 HB3 GLU 25 - HA SER 22 far 0 99 0 - 5.4-6.2 HB VAL 76 - HA TYR 81 far 0 95 0 - 8.2-11.7 Violated in 2 structures by 0.00 A. Peak 4154 from cnoeabs.peaks (2.05, 4.01, 63.89 ppm; 5.24 A): 1 out of 3 assignments used, quality = 0.99: HB2 GLU 25 + HB2 SER 22 OK 99 100 100 100 2.2-4.9 4153/3.0=80, 521/5085=64...(8) HB3 GLU 25 - HB2 SER 22 poor 20 99 20 - 3.8-6.7 HB3 GLU 19 - HB2 SER 22 far 10 97 10 - 3.1-13.6 Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (2.05, 3.89, 63.89 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLU 25 + HB3 SER 22 OK 99 100 100 99 2.2-4.7 4153/3.0=65, 4154/1.8=63...(8) HB3 GLU 25 + HB3 SER 22 OK 49 100 50 97 3.8-6.5 3.0/5498=53, ~4154=50...(8) HB3 GLU 19 - HB3 SER 22 far 5 90 5 - 4.7-13.0 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (1.86, 4.49, 56.18 ppm; 3.52 A): 2 out of 9 assignments used, quality = 0.83: HB2 ARG 27 + HA ASP 24 OK 78 100 90 87 2.2-4.0 5187=35, 4.1/5383=33...(11) HB3 ARG 27 + HA ASP 24 OK 25 100 30 85 3.2-5.1 4.1/5383=33, 1.8/5187=31...(10) HB3 ARG 23 - HA ASP 24 far 0 97 0 - 3.9-5.6 HB2 ARG 23 - HA ASP 24 far 0 97 0 - 4.0-5.6 HB2 ARG 26 - HA ASP 24 far 0 78 0 - 4.3-7.0 HB3 ARG 26 - HA ASP 24 far 0 76 0 - 6.0-7.1 HB3 ARG 71 - HA ASP 24 far 0 100 0 - 6.2-9.1 HB2 ARG 71 - HA ASP 24 far 0 100 0 - 6.3-8.6 HB2 LYS 75 - HA ASP 24 far 0 92 0 - 9.5-14.0 Violated in 3 structures by 0.03 A. Peak 4160 from cnoeabs.peaks (0.80, 2.59, 40.55 ppm; 4.00 A): 1 out of 6 assignments used, quality = 0.29: QD1 LEU 43 + HB3 ASP 47 OK 29 29 100 100 2.8-3.8 2.1/4389=75, ~4907=54...(16) QG2 ILE 68 - HB3 ASP 24 far 15 99 15 - 4.2-5.1 QD1 ILE 68 - HB3 ASP 24 far 0 83 0 - 5.7-5.9 QG1 VAL 41 - HB3 ASP 24 far 0 100 0 - 7.7-9.0 QG1 VAL 41 - HB3 ASP 47 far 0 59 0 - 9.1-9.8 QD1 ILE 89 - HB3 ASP 47 far 0 55 0 - 9.6-39.8 Violated in 0 structures by 0.00 A. Peak 4161 from cnoeabs.peaks (1.33, 4.09, 58.48 ppm; 3.49 A): 1 out of 10 assignments used, quality = 1.00: QB ALA 28 + HA GLU 25 OK 100 100 100 100 2.8-3.2 4181=100, 6128/4162=44...(12) QB ALA 28 - HA ARG 26 far 0 78 0 - 4.6-4.9 QB ALA 28 - HA ARG 27 far 0 55 0 - 5.0-5.0 QB ALA 16 - HA ARG 26 far 0 51 0 - 6.3-17.3 QB ALA 16 - HA GLU 25 far 0 73 0 - 7.3-16.2 QB ALA 16 - HA ARG 27 far 0 34 0 - 9.1-17.9 HG3 LYS 32 - HA ARG 27 far 0 54 0 - 9.1-10.4 QB ALA 12 - HA ARG 27 far 0 55 0 - 9.1-25.1 QB ALA 12 - HA ARG 26 far 0 78 0 - 9.2-25.2 HG3 LYS 32 - HA ARG 26 far 0 76 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 4162 from cnoeabs.peaks (1.17, 4.09, 58.48 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: QG2 THR 37 + HA GLU 25 OK 100 100 100 100 2.0-3.4 5105=99, 6128/4181=59...(12) QG2 THR 15 - HA GLU 25 far 0 76 0 - 4.8-17.6 QG2 THR 37 - HA ARG 27 far 0 55 0 - 5.4-7.5 QG2 THR 37 - HA ARG 26 far 0 78 0 - 5.5-6.6 QG2 THR 15 - HA ARG 26 far 0 53 0 - 5.9-19.6 QG2 THR 15 - HA ARG 27 far 0 36 0 - 8.5-21.0 QG2 THR 37 - HA ARG 71 far 0 92 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (0.85, 4.09, 58.48 ppm; 4.11 A): 3 out of 8 assignments used, quality = 0.99: QD2 LEU 29 + HA GLU 25 OK 95 100 100 95 3.5-3.8 4839/4181=48...(13) QD2 LEU 29 + HA ARG 26 OK 77 78 100 99 2.0-2.0 550/4184=51, 3.1/5348=47...(16) QD2 LEU 64 + HA ARG 27 OK 48 55 90 97 3.9-4.6 5028/3.0=46, 5015/3.6=40...(16) QD2 LEU 29 - HA ARG 27 far 0 55 0 - 5.5-5.7 QD2 LEU 64 - HA GLU 25 far 0 100 0 - 6.3-6.9 QD2 LEU 64 - HA ARG 26 far 0 78 0 - 7.0-7.5 QD2 LEU 64 - HA ARG 71 far 0 92 0 - 9.6-10.9 QD2 LEU 86 - HA ARG 71 far 0 80 0 - 9.6-26.5 Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (1.16, 2.26, 36.07 ppm; 5.34 A increased from 5.02 A): 1 out of 6 assignments used, quality = 0.98: QG2 THR 37 + HG2 GLU 25 OK 98 99 100 100 4.2-5.1 5513/1.8=84...(8) QG2 THR 15 - HG2 GLU 25 far 3 63 5 - 4.2-18.6 QG2 THR 37 - HG3 GLU 19 far 0 59 0 - 6.6-15.0 QG2 THR 37 - HG2 GLU 19 far 0 59 0 - 7.3-14.5 QG2 THR 15 - HG2 GLU 19 far 0 32 0 - 8.3-13.7 QG2 THR 15 - HG3 GLU 19 far 0 32 0 - 8.7-14.3 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (0.86, 2.26, 36.07 ppm; 4.92 A increased from 4.63 A): 1 out of 8 assignments used, quality = 0.79: QD2 LEU 29 + HG2 GLU 25 OK 79 85 100 93 3.1-4.9 4804/1.8=48...(10) QD2 LEU 29 - HG3 GLU 19 poor 14 46 30 - 2.6-12.8 QD2 LEU 29 - HG2 GLU 19 poor 12 46 25 - 2.2-11.9 QD1 LEU 29 - HG3 GLU 19 poor 10 49 20 - 4.3-14.5 QD1 LEU 29 - HG2 GLU 25 far 9 89 10 - 4.5-7.1 QD1 LEU 29 - HG2 GLU 19 far 7 49 15 - 3.5-13.4 QD2 LEU 64 - HG2 GLU 25 far 0 85 0 - 8.3-9.8 QD2 LEU 64 - HG2 GLU 19 far 0 46 0 - 9.9-18.6 Violated in 0 structures by 0.00 A. Peak 4167 from cnoeabs.peaks (1.36, 2.05, 29.32 ppm; 4.93 A increased from 4.64 A): 1 out of 9 assignments used, quality = 0.78: QB ALA 28 + HB3 GLU 25 OK 78 78 100 100 4.0-4.9 5531=75, 4181/3.0=70...(14) QB ALA 20 - HB3 GLU 25 poor 11 89 40 31 1.9-7.8 4.8/4151=14, 5514/3.0=8...(5) QB ALA 20 - HB2 GLU 25 poor 11 89 35 35 2.3-7.3 4.8/4151=15, 4.8/4151=10...(5) QB ALA 28 - HB2 GLU 25 far 8 78 10 - 4.9-5.6 QB ALA 16 - HB3 GLU 25 far 0 100 0 - 6.4-14.5 HB2 LEU 52 - HB3 PRO 56 far 0 33 0 - 7.3-10.1 QB ALA 16 - HB2 GLU 25 far 0 100 0 - 7.8-15.7 HB2 LEU 52 - HB3 GLU 50 far 0 46 0 - 8.2-8.7 HB2 LEU 52 - HB2 GLU 50 far 0 46 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 4168 from cnoeabs.peaks (0.85, 2.05, 29.32 ppm; 5.13 A): 3 out of 11 assignments used, quality = 1.00: QD2 LEU 29 + HB3 GLU 25 OK 97 98 100 99 2.4-3.3 4165/3.0=67...(12) QD2 LEU 29 + HB2 GLU 25 OK 96 98 100 97 3.7-4.3 4165/3.0=67, 4804/3.0=44...(11) QD1 LEU 29 + HB3 GLU 25 OK 56 65 90 95 4.5-5.6 ~4165=49, 5007=33...(10) QD1 LEU 43 - HB2 GLU 50 far 2 48 5 - 5.3-6.8 QD1 LEU 29 - HB2 GLU 25 far 0 65 0 - 5.5-6.3 QD1 LEU 43 - HB3 GLU 50 far 0 48 0 - 5.9-7.4 QD1 LEU 62 - HB3 PRO 56 far 0 39 0 - 6.0-6.8 QD2 LEU 64 - HB3 GLU 25 far 0 98 0 - 8.1-8.6 QD2 LEU 64 - HB2 GLU 25 far 0 98 0 - 8.3-8.9 QD1 LEU 62 - HB3 GLU 50 far 0 54 0 - 9.2-11.7 QD1 LEU 62 - HB2 GLU 50 far 0 54 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (1.21, 3.96, 54.22 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.99: HG13 ILE 33 + HA ALA 28 OK 99 99 100 100 2.2-2.8 4228=94, 1.8/4175=79...(12) QG2 VAL 65 - HA ALA 28 far 0 100 0 - 5.5-6.1 QG2 THR 15 - HA ALA 28 far 0 83 0 - 6.3-18.7 QG1 VAL 65 - HA ALA 28 far 0 81 0 - 6.9-7.4 HG13 ILE 40 - HA ALA 28 far 0 83 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (0.83, 3.96, 54.22 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 64 + HA ALA 28 OK 98 98 100 100 2.4-2.9 5162/2.1=63, 4384=54...(16) QD2 LEU 29 - HA ALA 28 far 0 98 0 - 5.0-5.3 QG2 ILE 68 - HA ALA 28 far 0 65 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (0.71, 3.96, 54.22 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + HA ALA 28 OK 99 99 100 100 2.9-3.4 2.1/4228=83, 5196/2.1=83...(16) QD2 LEU 57 - HA ALA 28 far 0 100 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.46, 3.96, 54.22 ppm; 4.26 A): 1 out of 4 assignments used, quality = 0.87: HG12 ILE 33 + HA ALA 28 OK 87 87 100 100 2.0-2.6 1.8/4228=80, 2.1/4174=65...(18) QB ALA 30 - HA ALA 28 far 0 89 0 - 4.6-4.8 QB ALA 63 - HA ALA 28 far 0 73 0 - 9.0-9.5 HB3 LEU 57 - HA ALA 28 far 0 99 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4176 from cnoeabs.peaks (1.92, 3.96, 54.22 ppm; 4.50 A): 1 out of 5 assignments used, quality = 0.93: HB2 MET 31 + HA ALA 28 OK 93 93 100 100 2.9-3.4 6121/4173=64...(10) HG13 ILE 68 - HA ALA 28 far 0 100 0 - 5.9-6.8 HB ILE 68 - HA ALA 28 far 0 71 0 - 6.9-7.8 HG12 ILE 40 - HA ALA 28 far 0 89 0 - 7.6-8.2 HB2 GLU 19 - HA ALA 28 far 0 96 0 - 9.9-17.9 Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (0.83, 1.34, 17.80 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 64 + QB ALA 28 OK 97 97 100 99 3.4-3.8 5162=77, 4173/2.1=64...(13) QD2 LEU 29 + QB ALA 28 OK 94 97 100 97 2.9-3.3 4839=44, 550/78=44...(11) QG2 ILE 68 - QB ALA 28 far 0 68 0 - 4.3-5.1 QD1 LEU 43 - QB ALA 28 far 0 100 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (0.71, 1.34, 17.80 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + QB ALA 28 OK 99 99 100 100 3.6-4.0 5196=99, 3.2/4180=72...(16) QD2 LEU 57 - QB ALA 28 far 0 100 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 4179 from cnoeabs.peaks (0.28, 1.34, 17.80 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.71: QG2 ILE 33 + QB ALA 28 OK 71 71 100 100 3.3-3.8 2.1/4180=85, 5195=65...(16) Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (1.75, 1.34, 17.80 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.92: HB ILE 33 + QB ALA 28 OK 92 92 100 100 2.3-3.0 4219=70, 2.1/4179=51...(16) HB3 ARG 17 - QB ALA 28 far 0 97 0 - 5.0-12.5 HG3 ARG 26 - QB ALA 28 far 0 100 0 - 6.4-7.3 HB3 LYS 32 - QB ALA 28 far 0 83 0 - 7.1-7.3 HB2 LYS 32 - QB ALA 28 far 0 83 0 - 7.1-7.3 HG2 PRO 34 - QB ALA 28 far 0 99 0 - 7.2-8.7 HB3 LYS 39 - QB ALA 28 far 0 60 0 - 7.4-8.8 HB2 PRO 34 - QB ALA 28 far 0 68 0 - 7.9-8.7 HG3 ARG 71 - QB ALA 28 far 0 100 0 - 8.4-11.7 HB2 LEU 57 - QB ALA 28 far 0 95 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (4.09, 1.34, 17.80 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 25 + QB ALA 28 OK 100 100 100 100 2.8-3.2 4161=99, 4162/6128=43...(12) HA ARG 26 - QB ALA 28 far 0 83 0 - 4.6-4.9 HA ARG 27 - QB ALA 28 far 0 65 0 - 5.0-5.0 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (7.70, 3.96, 54.22 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: H MET 31 + HA ALA 28 OK 100 100 100 100 3.4-3.6 4193=100, 5086/2.1=82...(12) H GLN 61 - HA ALA 28 far 0 78 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (1.34, 4.16, 56.71 ppm; 4.37 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 28 + HA LEU 29 OK 100 100 100 100 3.6-3.7 78/3.0=83, 4.9=71...(9) QB ALA 16 - HA LEU 29 far 8 76 10 - 3.8-17.3 HG3 LYS 32 - HA LEU 29 far 0 99 0 - 5.1-6.5 QB ALA 12 - HA LEU 29 far 0 100 0 - 9.2-23.5 QB ALA 16 - HA LYS 73 far 0 64 0 - 9.8-28.5 Violated in 0 structures by 0.00 A. Peak 4186 from cnoeabs.peaks (4.07, 1.58, 41.88 ppm; 4.15 A increased from 3.90 A): 1 out of 3 assignments used, quality = 0.91: HA ALA 63 + HB3 LEU 62 OK 91 91 100 99 3.8-4.1 3.0/3765=73, ~3907=47...(12) HA ARG 26 - HB3 LEU 29 far 0 99 0 - 4.6-4.6 HA GLU 25 - HB3 LEU 29 far 0 93 0 - 6.2-6.5 Violated in 0 structures by 0.00 A. Peak 4187 from cnoeabs.peaks (4.05, 0.88, 24.48 ppm; 3.33 A): 2 out of 6 assignments used, quality = 0.99: HA GLU 59 + QD1 LEU 62 OK 96 98 100 98 2.5-3.5 4639=73, 5364/2.1=45...(9) HA ARG 26 + QD1 LEU 29 OK 80 89 100 90 2.0-2.2 5929/2.1=29, 5394/3.1=28...(14) HA ALA 63 - QD1 LEU 62 far 0 96 0 - 6.0-6.0 HA VAL 90 - QD1 LEU 86 far 0 68 0 - 8.4-12.0 HD2 PRO 44 - QD1 LEU 86 far 0 89 0 - 8.9-33.0 HA PHE 48 - QD1 LEU 62 far 0 74 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 4188 from cnoeabs.peaks (0.85, 4.13, 53.99 ppm; 5.66 A increased from 5.33 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 29 + HA ALA 30 OK 100 100 100 100 5.6-5.7 2.1/4842=94, 85/3.0=88...(14) QD2 LEU 64 - HA ALA 30 far 0 100 0 - 6.3-7.0 Violated in 3 structures by 0.00 A. Peak 4190 from cnoeabs.peaks (4.42, 1.45, 18.15 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: HA MET 31 + QB ALA 30 OK 100 100 100 100 3.9-4.0 4.9=98, 1529/5305=63...(10) Violated in 0 structures by 0.00 A. Peak 4195 from cnoeabs.peaks (1.44, 1.94, 32.66 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: HG12 ILE 33 + HB2 MET 31 OK 99 99 100 100 2.4-3.1 2.1/6120=70, ~4846=51...(14) QB ALA 30 + HB2 MET 31 OK 99 99 100 100 4.3-4.5 3.6/556=76, 5305/3.0=63...(8) HG2 LYS 13 - HB2 MET 31 far 0 92 0 - 9.9-28.1 Violated in 0 structures by 0.00 A. Peak 4196 from cnoeabs.peaks (1.45, 2.07, 32.66 ppm; 4.88 A): 2 out of 5 assignments used, quality = 1.00: HG12 ILE 33 + HB3 MET 31 OK 100 100 100 100 3.7-4.6 2.1/4846=76, ~6120=58...(14) QB ALA 30 + HB3 MET 31 OK 95 100 95 100 5.0-5.2 3.6/557=75, 5305/3.0=70...(8) HB3 LEU 43 - HB3 PRO 44 far 0 43 0 - 5.4-5.6 HB3 LEU 57 - HB3 MET 31 far 0 78 0 - 6.0-6.8 HG3 LYS 85 - HB VAL 76 far 0 62 0 - 9.8-25.8 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (1.44, 2.63, 32.57 ppm; 4.71 A increased from 4.43 A): 2 out of 2 assignments used, quality = 0.99: QB ALA 30 + HG2 MET 31 OK 97 97 100 100 3.9-4.6 6116=97, 5305/1.8=78...(10) HG12 ILE 33 + HG2 MET 31 OK 74 98 75 100 4.5-5.2 2.1/5322=82, ~4848=51...(14) Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (0.84, 2.63, 32.57 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 64 + HG2 MET 31 OK 99 99 100 100 1.9-2.1 5021=86, 4200/1.8=67...(20) QG2 ILE 68 - HG2 MET 31 far 0 63 0 - 7.3-8.3 QD2 LEU 29 - HG2 MET 31 far 0 99 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 4199 from cnoeabs.peaks (1.45, 2.52, 32.57 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 30 + HG3 MET 31 OK 100 100 100 100 2.8-3.6 5305=91, 6116/1.8=75...(9) HG12 ILE 33 + HG3 MET 31 OK 80 100 80 100 4.5-5.7 2.1/4848=62, ~5322=61...(14) HB3 LEU 57 - HG3 MET 31 far 0 78 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (0.84, 2.52, 32.57 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 64 + HG3 MET 31 OK 100 100 100 100 2.3-3.5 4198/1.8=81, 6121/3.0=67...(20) QD2 LEU 29 - HG3 MET 31 far 0 100 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 4201 from cnoeabs.peaks (3.95, 2.63, 32.57 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 28 + HG2 MET 31 OK 100 100 100 100 4.0-4.7 4173/4198=67...(10) HA GLN 61 + HG2 MET 31 OK 97 97 100 100 3.1-4.8 5079/3.3=72...(13) HA LYS 32 - HG2 MET 31 far 0 78 0 - 7.2-7.5 HA THR 37 - HG2 MET 31 far 0 85 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (3.96, 2.52, 32.57 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 28 + HG3 MET 31 OK 95 100 95 100 3.9-5.2 4176/3.0=69...(8) HA GLN 61 + HG3 MET 31 OK 74 99 75 99 4.8-5.5 5079/3.3=78...(10) HA LYS 32 - HG3 MET 31 far 0 87 0 - 6.6-7.0 HA THR 37 - HG3 MET 31 far 0 76 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (3.95, 1.94, 32.66 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 28 + HB2 MET 31 OK 100 100 100 100 2.9-3.4 4176=85, 4173/6121=65...(10) HA GLN 61 + HB2 MET 31 OK 80 97 85 97 3.9-4.8 5079/4.3=55, 5350/1.8=48...(10) HA LYS 32 - HB2 MET 31 far 0 78 0 - 5.1-5.2 HA THR 37 - HB2 MET 31 far 0 85 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 4206 from cnoeabs.peaks (6.81, 3.89, 56.86 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.93: HE22 GLN 61 + HA ILE 33 OK 93 93 100 100 3.0-4.6 5763=93, 1.7/5762=86...(10) QE TYR 55 - HA ILE 33 far 0 100 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (6.93, 0.31, 17.04 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QG2 ILE 33 OK 94 95 100 100 2.5-2.6 4583=76, 2.2/4208=57...(23) HZ PHE 35 + QG2 ILE 33 OK 92 93 100 98 2.9-3.0 2.2/4583=60, 4596=48...(14) HZ PHE 48 - QG2 ILE 33 far 0 90 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (6.63, 0.31, 17.04 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.87: QD PHE 35 + QG2 ILE 33 OK 87 87 100 100 2.6-2.7 2.2/4583=71, 4.5/4248=62...(19) Violated in 0 structures by 0.00 A. Peak 4209 from cnoeabs.peaks (6.30, 0.31, 17.04 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.95: H PHE 35 + QG2 ILE 33 OK 95 96 100 100 1.8-1.9 4248=95, 4250/3.2=35...(14) Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (7.44, 0.71, 10.77 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.93: HE21 GLN 61 + QD1 ILE 33 OK 93 93 100 100 2.4-4.0 1.7/4213=66, 3.5/4224=59...(14) H LEU 64 - QD1 ILE 33 far 0 71 0 - 5.1-5.4 H LEU 52 - QD1 ILE 33 far 0 92 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (8.38, 0.71, 10.77 ppm; 4.96 A): 1 out of 4 assignments used, quality = 0.99: H VAL 65 + QD1 ILE 33 OK 99 99 100 100 4.4-4.5 5795=98, 269/6122=73...(8) H GLY 18 - QD1 ILE 33 far 0 68 0 - 7.3-16.6 H ALA 16 - QD1 ILE 33 far 0 81 0 - 7.4-17.9 H ARG 17 - QD1 ILE 33 far 0 100 0 - 8.9-16.9 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (6.95, 0.71, 10.77 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD1 ILE 33 OK 100 100 100 100 4.0-4.2 4583/3.2=80, 2.2/5551=52...(18) HZ PHE 35 + QD1 ILE 33 OK 99 100 100 99 3.9-4.1 4596/3.2=63, 4593=49...(13) HZ PHE 48 - QD1 ILE 33 far 0 100 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 4213 from cnoeabs.peaks (6.81, 0.71, 10.77 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.93: HE22 GLN 61 + QD1 ILE 33 OK 93 93 100 100 2.1-4.3 1.7/4210=88, 3.5/4224=69...(16) QE TYR 55 - QD1 ILE 33 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 4214 from cnoeabs.peaks (3.54, 0.31, 17.04 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QG2 ILE 33 OK 100 100 100 100 3.3-3.4 4.1=92, 1.8/4215=84...(23) HA ILE 68 - QG2 ILE 33 far 0 63 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 4215 from cnoeabs.peaks (2.73, 0.31, 17.04 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + QG2 ILE 33 OK 100 100 100 100 1.9-1.9 4.1=70, 1.8/4214=64...(23) Violated in 0 structures by 0.00 A. Peak 4216 from cnoeabs.peaks (2.72, 3.89, 56.86 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + HA ILE 33 OK 100 100 100 100 2.0-2.0 4236=89, 1.8/4217=76...(14) Violated in 0 structures by 0.00 A. Peak 4217 from cnoeabs.peaks (3.54, 3.89, 56.86 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + HA ILE 33 OK 100 100 100 100 2.3-2.3 3.8=74, 1.8/4216=67...(16) HD3 PRO 36 - HA ILE 33 far 0 68 0 - 8.3-8.3 Violated in 0 structures by 0.00 A. Peak 4219 from cnoeabs.peaks (1.33, 1.77, 36.30 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.98: QB ALA 28 + HB ILE 33 OK 98 98 100 100 2.3-3.0 4180=90, 4179/2.1=60...(16) HG3 LYS 32 - HB ILE 33 far 0 100 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 4220 from cnoeabs.peaks (1.02, 0.31, 17.04 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.99: QD1 ILE 40 + QG2 ILE 33 OK 96 99 100 98 2.7-3.0 4300=86, 4313/5597=25...(9) HG3 PRO 34 + QG2 ILE 33 OK 60 81 75 100 3.2-4.3 2.3/4215=65, 2.3/4214=58...(23) QD1 LEU 57 + QG2 ILE 33 OK 59 65 100 90 3.3-3.7 2.1/4612=51...(8) Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.00, 0.71, 10.77 ppm; 3.89 A increased from 3.66 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 57 + QD1 ILE 33 OK 88 98 100 90 3.4-3.9 4614/3.2=36, ~4612=29...(11) QD1 ILE 40 + QD1 ILE 33 OK 36 68 75 71 4.1-4.3 4300/3.2=39, 4306/3.2=17...(7) Violated in 0 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (1.69, 0.71, 10.77 ppm; 3.55 A): 1 out of 7 assignments used, quality = 0.66: HB3 GLN 61 + QD1 ILE 33 OK 66 68 100 97 2.5-3.2 3.0/4224=51, 3.0/4503=48...(13) HB3 LEU 64 - QD1 ILE 33 far 0 96 0 - 4.4-4.9 HD3 LYS 13 - QD1 ILE 33 far 0 83 0 - 6.0-24.8 HD2 LYS 13 - QD1 ILE 33 far 0 83 0 - 6.7-24.1 HG LEU 29 - QD1 ILE 33 far 0 97 0 - 6.8-7.2 HB3 LYS 13 - QD1 ILE 33 far 0 100 0 - 8.1-23.9 HG3 ARG 66 - QD1 ILE 33 far 0 97 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 4223 from cnoeabs.peaks (1.95, 0.71, 10.77 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.99: HB2 MET 31 + QD1 ILE 33 OK 97 97 100 100 1.9-2.1 3.0/5322=51...(17) HB2 LEU 64 + QD1 ILE 33 OK 66 68 100 97 3.2-3.6 3.1/6122=60, 1.8/5026=37...(13) HG LEU 57 - QD1 ILE 33 far 0 98 0 - 5.3-6.0 HG13 ILE 68 - QD1 ILE 33 far 0 78 0 - 5.7-6.3 HB3 ARG 66 - QD1 ILE 33 far 0 100 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 4224 from cnoeabs.peaks (2.15, 0.71, 10.77 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.89: HG3 GLN 61 + QD1 ILE 33 OK 89 90 100 99 3.0-3.4 3.0/4222=61, 3.5/4210=46...(13) HB ILE 40 - QD1 ILE 33 far 0 78 0 - 7.5-7.6 HB2 PRO 36 - QD1 ILE 33 far 0 81 0 - 8.8-8.9 Violated in 0 structures by 0.00 A. Peak 4225 from cnoeabs.peaks (2.54, 0.71, 10.77 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.97: HG3 MET 31 + QD1 ILE 33 OK 93 93 100 100 3.7-4.3 1.8/5322=75, 3.3/5075=49...(14) HB2 GLN 61 + QD1 ILE 33 OK 62 96 65 100 3.9-4.6 1.8/4222=86, 3.0/4224=63...(13) HB2 ASP 24 - QD1 ILE 33 far 0 90 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (3.55, 0.71, 10.77 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QD1 ILE 33 OK 100 100 100 100 3.7-4.0 1.8/4851=88...(15) HD3 PRO 36 - QD1 ILE 33 far 0 81 0 - 8.0-8.1 Violated in 0 structures by 0.00 A. Peak 4227 from cnoeabs.peaks (3.96, 0.71, 10.77 ppm; 3.45 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 28 + QD1 ILE 33 OK 100 100 100 100 2.9-3.4 4228/2.1=50, 2.1/5196=49...(16) HA GLN 61 + QD1 ILE 33 OK 79 99 80 100 3.3-3.9 4503=66, 3.0/4222=51...(22) HA LYS 32 - QD1 ILE 33 far 0 83 0 - 4.3-4.7 HA THR 37 - QD1 ILE 33 far 0 81 0 - 6.0-6.4 HA ARG 66 - QD1 ILE 33 far 0 83 0 - 8.3-8.5 HA3 GLY 18 - QD1 ILE 33 far 0 63 0 - 8.6-17.8 HA2 GLY 18 - QD1 ILE 33 far 0 60 0 - 9.5-18.5 Violated in 0 structures by 0.00 A. Peak 4228 from cnoeabs.peaks (3.94, 1.22, 27.27 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.96: HA ALA 28 + HG13 ILE 33 OK 96 96 100 100 2.2-2.8 4172=73, 4175/1.8=65...(12) HA THR 37 - HG13 ILE 33 far 0 97 0 - 5.1-5.5 HA2 GLY 72 - HG2 ARG 69 far 0 50 0 - 5.5-8.3 HA GLN 61 - HG13 ILE 33 far 0 85 0 - 5.9-6.7 HA LEU 62 - HG13 ILE 33 far 0 78 0 - 7.5-8.2 HA THR 37 - HG2 ARG 69 far 0 58 0 - 8.8-10.4 HA3 GLY 18 - HG13 ILE 33 far 0 89 0 - 9.0-19.8 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (3.94, 1.77, 36.30 ppm; 4.47 A): 1 out of 6 assignments used, quality = 0.78: HA ALA 28 + HB ILE 33 OK 78 78 100 100 3.3-4.4 2.1/4219=87, 4228/3.0=68...(13) HA THR 37 - HB ILE 33 far 0 100 0 - 5.5-5.8 HA3 GLY 18 - HB ILE 33 far 0 99 0 - 6.8-18.5 HA GLN 61 - HB ILE 33 far 0 60 0 - 7.7-8.5 HA2 GLY 18 - HB ILE 33 far 0 99 0 - 7.9-19.5 HA LEU 62 - HB ILE 33 far 0 96 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (3.95, 1.44, 27.27 ppm; 4.03 A): 2 out of 6 assignments used, quality = 0.99: HA ALA 28 + HG12 ILE 33 OK 99 99 100 100 2.0-2.6 4228/1.8=77, 4175=72...(18) HA LYS 32 + HG12 ILE 33 OK 34 65 65 79 4.2-4.5 3.6/574=60, 5543=29, 3.0/5541=24 HA GLN 61 - HG12 ILE 33 far 0 92 0 - 6.0-6.6 HA THR 37 - HG12 ILE 33 far 0 93 0 - 6.6-6.9 HA LEU 62 - HG12 ILE 33 far 0 68 0 - 8.3-9.1 HA3 GLY 18 - HG12 ILE 33 far 0 81 0 - 9.1-19.0 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (0.70, 2.72, 50.48 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HD2 PRO 34 OK 100 100 100 100 3.0-3.4 4851=83, 1682/4215=64...(14) QD2 LEU 57 + HD2 PRO 34 OK 99 99 100 100 2.0-2.5 4603=92, 4605/1.8=65...(12) Violated in 0 structures by 0.00 A. 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 97 100 100 1.9-1.9 4.1=100 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (0.70, 3.54, 50.48 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 33 + HD3 PRO 34 OK 97 97 100 100 3.7-4.0 4851/1.8=68...(14) QD2 LEU 57 + HD3 PRO 34 OK 93 93 100 100 2.3-2.8 4605=72, 4603/1.8=69...(11) QD1 ILE 33 - HD3 PRO 36 far 0 42 0 - 8.0-8.1 QD2 LEU 57 - HD3 PRO 36 far 0 38 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. 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 95 100 100 3.3-3.4 4.1=100 QG2 ILE 33 - HD3 PRO 36 far 0 39 0 - 5.1-5.1 Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (0.27, 4.32, 63.87 ppm; 6.50 A): 0 out of 0 assignments used, quality = 0.00: Peak 4236 from cnoeabs.peaks (3.89, 2.72, 50.48 ppm; 3.71 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 33 + HD2 PRO 34 OK 100 100 100 100 2.0-2.0 4216=100, 4217/1.8=81...(14) HD2 PRO 36 - HD2 PRO 34 far 0 90 0 - 7.8-7.8 HA LEU 51 - HD2 PRO 34 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 4238 from cnoeabs.peaks (3.89, 3.54, 50.48 ppm; 2.99 A): 2 out of 6 assignments used, quality = 0.99: HA ILE 33 + HD3 PRO 34 OK 98 100 100 98 2.3-2.3 4217=67, 4216/1.8=51...(14) HD2 PRO 36 + HD3 PRO 36 OK 36 36 100 100 1.8-1.8 1.8=100 HA ILE 33 - HD3 PRO 36 far 0 45 0 - 8.3-8.3 HD2 PRO 36 - HD3 PRO 34 far 0 90 0 - 8.7-8.8 HA LEU 51 - HD3 PRO 36 far 0 44 0 - 8.8-9.3 HA LEU 51 - HD3 PRO 34 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (6.64, 1.76, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + HG2 PRO 34 OK 99 99 100 100 2.0-3.7 4243/1.8=85, 4649/2.3=80...(22) Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (6.65, 1.04, 26.58 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HG3 PRO 34 OK 100 100 100 100 2.0-3.7 4649/2.3=71, 4242/1.8=68...(22) Violated in 0 structures by 0.00 A. Peak 4244 from cnoeabs.peaks (6.96, 1.04, 26.58 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.98: QE PHE 35 + HG3 PRO 34 OK 93 93 100 100 2.7-3.8 2.2/4243=84, 4574/1.8=80...(21) HZ PHE 35 + HG3 PRO 34 OK 71 95 75 100 4.8-5.9 3.8/4243=64, ~4574=59...(14) Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (6.94, 1.76, 26.58 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 35 + HG2 PRO 34 OK 100 100 100 100 2.8-3.8 4574=100, 2.2/4242=90...(24) HZ PHE 35 + HG2 PRO 34 OK 25 100 25 100 4.8-5.9 2.2/4574=92, 3.8/4242=72...(13) Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (7.33, 1.76, 26.58 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 55 + HG2 PRO 34 OK 100 100 100 100 2.7-3.5 4666/2.3=77, 5565/1.8=73...(25) Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (7.33, 1.78, 30.55 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: QD TYR 55 + HB2 PRO 34 OK 100 100 100 100 2.6-3.6 4666/1.8=78, 4246/2.3=67...(22) QD TYR 55 + HB2 ARG 54 OK 50 50 100 100 2.4-2.9 4634/1.8=92, 687/212=64...(21) QD TYR 55 - HB3 LYS 32 far 0 63 0 - 8.8-9.6 QD TYR 55 - HB2 LYS 32 far 0 63 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (3.56, 4.99, 52.48 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.97: HD3 PRO 36 + HA PHE 35 OK 97 97 100 100 2.4-2.5 4264=89, 1.8/4252=74...(18) HD3 PRO 34 - HA PHE 35 far 0 90 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 4252 from cnoeabs.peaks (3.87, 4.99, 52.48 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 36 + HA PHE 35 OK 100 100 100 100 2.3-2.3 4263=95, 1.8/4251=64...(16) HA ILE 33 - HA PHE 35 far 0 78 0 - 6.4-6.5 HA LEU 51 - HA PHE 35 far 0 68 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 4257 from cnoeabs.peaks (3.56, 2.91, 38.77 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 36 + HB3 PHE 35 OK 100 100 100 100 3.0-3.1 4874/1.8=80, 4251/3.0=68...(23) HD3 PRO 34 - HB3 PHE 35 far 0 81 0 - 6.4-6.4 Violated in 0 structures by 0.00 A. Peak 4258 from cnoeabs.peaks (3.88, 2.91, 38.77 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 36 + HB3 PHE 35 OK 100 100 100 100 4.0-4.1 5577=98, 4260/1.8=85...(20) HA LEU 51 - HB3 PHE 35 far 0 90 0 - 6.6-7.1 HA ILE 33 - HB3 PHE 35 far 0 96 0 - 6.7-6.7 Violated in 0 structures by 0.00 A. Peak 4259 from cnoeabs.peaks (1.04, 6.65, 132.92 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QD PHE 35 OK 98 98 100 100 2.8-3.1 4318=99, 2.1/4562=96...(23) HG3 PRO 34 + QD PHE 35 OK 97 97 100 100 2.0-3.7 4243=99, 1.8/4242=88...(22) Violated in 0 structures by 0.00 A. Peak 4260 from cnoeabs.peaks (2.86, 3.87, 50.78 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: HB2 PHE 35 + HD2 PRO 36 OK 100 100 100 100 3.4-3.4 5569=76, 4874/1.8=71...(18) Violated in 0 structures by 0.00 A. Peak 4261 from cnoeabs.peaks (1.56, 3.87, 50.78 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.85: HD3 LYS 39 + HD2 PRO 36 OK 85 85 100 100 4.0-4.4 4875/3.0=54, 3.5/5104=50...(23) HG2 LYS 39 - HD2 PRO 36 far 5 92 5 - 4.7-6.5 HD2 LYS 39 - HD2 PRO 36 far 0 83 0 - 5.2-6.0 HB3 LEU 29 - HD2 PRO 36 far 0 89 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4262 from cnoeabs.peaks (1.57, 3.57, 50.78 ppm; 4.47 A): 3 out of 10 assignments used, quality = 1.00: HD3 LYS 39 + HD3 PRO 36 OK 98 98 100 100 2.2-3.3 4261/1.8=68, 3.0/5208=51...(24) HD2 LYS 39 + HD3 PRO 36 OK 92 97 95 100 3.4-4.8 ~4261=54, 3.0/5208=51...(24) HG2 LYS 39 + HD3 PRO 36 OK 53 71 75 100 3.1-4.8 4893/2.3=51, ~4870=49...(24) HG LEU 62 - HD3 PRO 34 far 0 43 0 - 8.3-9.1 HB3 LEU 51 - HD3 PRO 36 far 0 68 0 - 8.5-9.0 HB3 ARG 54 - HD3 PRO 34 far 0 26 0 - 9.0-9.7 HB3 ARG 54 - HD3 PRO 36 far 0 71 0 - 9.3-10.0 HD3 LYS 39 - HD3 PRO 34 far 0 42 0 - 9.5-11.7 HD2 LYS 39 - HD3 PRO 34 far 0 42 0 - 9.7-13.0 HB3 LEU 29 - HD3 PRO 34 far 0 43 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 4263 from cnoeabs.peaks (4.99, 3.87, 50.78 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 35 + HD2 PRO 36 OK 100 100 100 100 2.3-2.3 4252=100, 4251/1.8=66...(16) Violated in 0 structures by 0.00 A. Peak 4264 from cnoeabs.peaks (4.98, 3.57, 50.78 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.99: HA PHE 35 + HD3 PRO 36 OK 99 99 100 100 2.4-2.5 4251=96, 4252/1.8=75...(18) HA PHE 35 - HD3 PRO 34 far 0 43 0 - 6.5-6.6 Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (4.98, 2.10, 27.61 ppm; 4.53 A increased from 4.03 A): 2 out of 2 assignments used, quality = 1.00: HA PHE 35 + HG3 PRO 36 OK 95 95 100 100 4.5-4.5 4264/2.3=92, 4252/2.3=90...(19) HA PHE 35 + HG2 PRO 36 OK 94 94 100 100 4.5-4.6 4264/2.3=92, 4252/2.3=90...(21) Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (7.24, 3.94, 64.91 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: H ILE 40 + HA THR 37 OK 100 100 100 100 3.2-3.6 4308=100, 603/4271=66...(13) Violated in 0 structures by 0.00 A. Peak 4267 from cnoeabs.peaks (6.65, 3.94, 64.91 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HA THR 37 OK 100 100 100 100 3.8-4.0 4318/4313=68...(9) Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (6.93, 3.94, 64.91 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.93: QE PHE 35 + HA THR 37 OK 93 93 100 100 4.2-4.5 2.2/4267=85...(10) HZ PHE 35 - HA THR 37 far 0 92 0 - 6.6-6.9 HD22 ASN 42 - HA THR 37 far 0 99 0 - 8.3-8.7 HZ PHE 48 - HA THR 37 far 0 89 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (4.59, 1.17, 22.48 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.90: HA PRO 36 + QG2 THR 37 OK 90 90 100 100 3.4-3.9 3.6/586=94, 4290/4.1=76 Violated in 0 structures by 0.00 A. Peak 4270 from cnoeabs.peaks (6.65, 1.17, 22.48 ppm; 5.11 A increased from 4.81 A): 1 out of 1 assignment used, quality = 0.83: QD PHE 35 + QG2 THR 37 OK 83 100 85 98 4.6-6.0 2.2/4286=69, 4267/3.2=68...(5) Violated in 3 structures by 0.12 A. Peak 4271 from cnoeabs.peaks (2.12, 3.94, 64.91 ppm; 3.62 A): 1 out of 4 assignments used, quality = 0.99: HB ILE 40 + HA THR 37 OK 99 99 100 100 3.3-3.6 4309=71, 3.2/4279=56...(19) HB2 PRO 36 - HA THR 37 far 0 99 0 - 4.7-4.9 HG2 PRO 36 - HA THR 37 far 0 73 0 - 5.4-5.6 HG3 PRO 36 - HA THR 37 far 0 78 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 4272 from cnoeabs.peaks (1.90, 3.94, 64.91 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: HG12 ILE 40 + HA THR 37 OK 100 100 100 100 2.5-3.0 2.1/4279=86, 2.9/4271=70...(18) HB ILE 68 - HA THR 37 far 0 100 0 - 4.6-5.0 HG13 ILE 68 - HA THR 37 far 0 76 0 - 5.8-6.6 HB VAL 41 - HA THR 37 far 0 60 0 - 6.7-7.1 HB2 GLU 19 - HA THR 37 far 0 98 0 - 8.7-19.2 Violated in 0 structures by 0.00 A. Peak 4273 from cnoeabs.peaks (1.90, 4.22, 68.34 ppm; 4.89 A): 2 out of 7 assignments used, quality = 0.99: HG12 ILE 40 + HB THR 37 OK 95 100 95 100 4.6-5.2 2.1/4282=86, 4272/3.0=79...(13) HB ILE 68 + HB THR 37 OK 84 99 85 100 4.3-5.6 2.1/4763=91, ~4754=67...(16) HG13 ILE 68 - HB THR 37 far 12 83 15 - 5.0-6.2 HB VAL 41 - HB THR 37 far 0 68 0 - 6.4-8.1 HB2 GLU 19 - HB THR 37 far 0 99 0 - 7.4-18.2 HB2 ARG 26 - HB THR 37 far 0 73 0 - 8.4-11.4 HB3 ARG 26 - HB THR 37 far 0 76 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (2.09, 1.17, 22.48 ppm; 4.74 A): 0 out of 3 assignments used, quality = 0.00: HG2 PRO 36 - QG2 THR 37 far 0 100 0 - 5.4-6.2 HG3 PRO 36 - QG2 THR 37 far 0 100 0 - 6.0-6.9 HB3 MET 31 - QG2 THR 37 far 0 81 0 - 6.9-9.7 Violated in 20 structures by 0.66 A. Peak 4275 from cnoeabs.peaks (2.28, 1.17, 22.48 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.96: HG2 GLU 25 + QG2 THR 37 OK 80 81 100 99 4.2-5.1 1.8/5513=76, 4.1/4162=72...(8) HG3 GLU 25 + QG2 THR 37 OK 78 78 100 99 3.1-5.2 1.8/4164=74, 4.1/4162=72...(8) Violated in 0 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (2.57, 1.17, 22.48 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.90: HB2 ASP 24 + QG2 THR 37 OK 76 85 100 89 2.3-4.5 1.8/4835=58...(8) HB3 ASP 24 + QG2 THR 37 OK 57 93 75 81 3.0-5.6 4835=57, 4752/4754=30...(5) HG2 GLN 61 - QG2 THR 37 far 0 65 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 4277 from cnoeabs.peaks (1.90, 1.17, 22.48 ppm; 5.17 A increased from 4.60 A): 3 out of 8 assignments used, quality = 1.00: HG12 ILE 40 + QG2 THR 37 OK 100 100 100 100 4.3-5.4 4272/3.2=83, ~4282=65...(17) HB ILE 68 + QG2 THR 37 OK 85 100 85 100 4.4-6.2 2.1/4754=98, 2.9/4885=86...(13) HG13 ILE 68 + QG2 THR 37 OK 65 76 85 100 4.6-6.8 1.8/4885=98, 3.2/4754=87...(14) HB2 GLU 19 - QG2 THR 37 far 0 98 0 - 5.8-13.8 HB VAL 41 - QG2 THR 37 far 0 60 0 - 5.9-7.6 HB2 ARG 26 - QG2 THR 37 far 0 81 0 - 6.0-8.2 HB3 ARG 26 - QG2 THR 37 far 0 83 0 - 6.8-8.3 HB3 PRO 34 - QG2 THR 37 far 0 65 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 4278 from cnoeabs.peaks (1.76, 1.17, 22.48 ppm; 5.07 A): 1 out of 11 assignments used, quality = 0.85: HB ILE 33 + QG2 THR 37 OK 85 100 85 100 4.0-6.3 2.1/4285=94...(5) HB3 LYS 39 - QG2 THR 37 far 0 89 0 - 6.2-7.1 HG3 ARG 26 - QG2 THR 37 far 0 89 0 - 6.3-8.5 HB3 ARG 17 - QG2 THR 37 far 0 78 0 - 6.8-14.1 HG3 ARG 71 - QG2 THR 37 far 0 93 0 - 7.2-10.2 HG2 PRO 34 - QG2 THR 37 far 0 99 0 - 8.2-11.2 HB3 LYS 75 - QG2 THR 37 far 0 78 0 - 8.4-11.7 HB2 LYS 13 - QG2 THR 37 far 0 73 0 - 8.8-22.6 HB2 LYS 32 - QG2 THR 37 far 0 99 0 - 9.0-11.4 HB2 PRO 34 - QG2 THR 37 far 0 93 0 - 9.1-11.2 HB3 LYS 32 - QG2 THR 37 far 0 99 0 - 9.2-11.4 Violated in 3 structures by 0.15 A. Peak 4279 from cnoeabs.peaks (1.01, 3.94, 64.91 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.85: QD1 ILE 40 + HA THR 37 OK 85 85 100 100 1.9-2.2 4313=68, 2.1/4272=49...(19) QD1 LEU 57 - HA THR 37 far 0 90 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (0.93, 3.94, 64.91 ppm; 4.48 A increased from 3.98 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 40 + HA THR 37 OK 100 100 100 100 4.3-4.7 2.1/4271=90, 4310=89...(17) QG2 VAL 41 + HA THR 37 OK 32 98 35 94 4.6-5.0 140/4905=51...(6) HG12 ILE 68 - HA THR 37 far 5 100 5 - 4.7-6.0 QD1 LEU 64 - HA THR 37 far 0 60 0 - 6.7-7.8 QG1 VAL 76 - HA THR 37 far 0 100 0 - 8.6-11.9 QD2 LEU 43 - HA THR 37 far 0 85 0 - 9.0-9.2 QG2 VAL 76 - HA THR 37 far 0 100 0 - 9.1-14.0 Violated in 0 structures by 0.00 A. Peak 4281 from cnoeabs.peaks (0.79, 3.94, 64.91 ppm; 4.39 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 68 + HA THR 37 OK 97 97 100 100 2.9-3.7 5247/4313=64...(17) QG2 ILE 68 + HA THR 37 OK 87 87 100 100 2.7-3.3 4762=62, 4754/3.2=61...(20) QG1 VAL 41 - HA THR 37 far 0 100 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (1.02, 4.22, 68.34 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 40 + HB THR 37 OK 98 98 100 100 2.9-3.3 4314=85, 4279/3.0=75...(17) QD1 LEU 57 - HB THR 37 far 0 68 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (0.80, 4.22, 68.34 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.99: QG2 ILE 68 + HB THR 37 OK 94 95 100 100 1.9-3.4 4763=70, 4754/2.1=63...(17) QD1 ILE 68 + HB THR 37 OK 91 92 100 99 2.4-3.5 2.9/4763=50, 4284/2.1=40...(15) QG1 VAL 41 - HB THR 37 far 0 100 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (0.79, 1.17, 22.48 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.95: QD1 ILE 68 + QG2 THR 37 OK 82 97 85 99 2.2-4.3 2.1/4885=47, 2.9/4754=46...(21) QG2 ILE 68 + QG2 THR 37 OK 72 87 85 97 2.6-3.7 4754=61, 4763/2.1=41...(17) QG1 VAL 41 - QG2 THR 37 far 0 100 0 - 6.3-7.6 Violated in 3 structures by 0.02 A. Peak 4285 from cnoeabs.peaks (0.30, 1.17, 22.48 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.77: QG2 ILE 33 + QG2 THR 37 OK 77 97 85 94 3.6-5.7 5195/6128=51...(7) Violated in 4 structures by 0.24 A. Peak 4286 from cnoeabs.peaks (6.94, 1.17, 22.48 ppm; 5.47 A increased from 4.60 A): 1 out of 4 assignments used, quality = 0.85: QE PHE 35 + QG2 THR 37 OK 85 100 85 100 4.7-6.7 2.2/4270=84...(5) HZ PHE 35 - QG2 THR 37 far 0 100 0 - 6.5-8.7 HD22 ASN 42 - QG2 THR 37 far 0 100 0 - 6.8-8.8 HZ PHE 48 - QG2 THR 37 far 0 99 0 - 8.5-10.5 Violated in 3 structures by 0.17 A. Peak 4287 from cnoeabs.peaks (7.62, 4.28, 56.69 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: H VAL 41 + HA ASP 38 OK 99 100 100 99 3.3-3.7 610/5355=62, 140/4890=58...(11) HD21 ASN 42 + HA ASP 38 OK 89 100 90 98 3.4-5.0 1.7/4357=66, 4356=50...(10) Violated in 0 structures by 0.00 A. Peak 4288 from cnoeabs.peaks (7.62, 2.62, 40.03 ppm; 5.62 A increased from 4.74 A): 4 out of 4 assignments used, quality = 1.00: HD21 ASN 42 + HB3 ASP 38 OK 99 100 100 100 3.4-5.5 ~4357=68, 4356/3.0=59...(8) HD21 ASN 42 + HB2 ASP 38 OK 89 100 90 100 3.8-6.3 ~4357=68, 4356/3.0=59...(8) H VAL 41 + HB2 ASP 38 OK 88 99 95 93 5.2-6.0 5593/4.7=63, 5590/4.0=62 H VAL 41 + HB3 ASP 38 OK 74 99 80 93 5.0-6.0 5593/4.7=63, 5590/4.0=62 Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (6.94, 2.62, 40.03 ppm; 5.20 A): 2 out of 4 assignments used, quality = 1.00: HD22 ASN 42 + HB2 ASP 38 OK 99 100 100 99 3.3-5.2 4357/3.0=81, 1.7/4358=51...(8) HD22 ASN 42 + HB3 ASP 38 OK 99 100 100 99 2.9-5.1 4357/3.0=81, 4359=48...(8) QE PHE 35 - HB2 ASP 38 far 0 100 0 - 8.5-10.0 QE PHE 35 - HB3 ASP 38 far 0 100 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (2.10, 2.62, 40.03 ppm; 5.01 A): 4 out of 8 assignments used, quality = 0.97: HB2 PRO 36 + HB2 ASP 38 OK 71 76 100 94 2.8-5.0 4292/4.0=70, 4867/4.7=38...(7) HB2 PRO 36 + HB3 ASP 38 OK 71 76 100 94 3.3-4.9 4292/4.0=70, 4867/4.7=38...(7) HG2 PRO 36 + HB2 ASP 38 OK 40 99 45 91 3.6-6.1 4879/4.0=55, 2.3/5936=31...(8) HG3 PRO 36 + HB2 ASP 38 OK 31 99 40 78 4.3-6.8 2.3/5936=31, ~5936=26...(7) HG2 PRO 36 - HB3 ASP 38 poor 20 99 20 - 4.2-6.1 HG3 PRO 36 - HB3 ASP 38 far 15 99 15 - 4.9-6.7 HB ILE 40 - HB2 ASP 38 far 0 78 0 - 6.7-7.1 HB ILE 40 - HB3 ASP 38 far 0 78 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (0.81, 3.63, 64.52 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.92: QD1 LEU 43 + HA ILE 40 OK 92 93 100 99 3.1-3.9 2.1/5125=57, 4703=50...(10) QG2 ILE 68 - HA ILE 40 far 0 99 0 - 4.5-5.4 QG1 VAL 41 - HA ILE 40 far 0 83 0 - 6.1-6.1 QD2 LEU 64 - HA ILE 40 far 0 60 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 4297 from cnoeabs.peaks (0.80, 2.12, 38.15 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HB ILE 40 OK 100 100 100 100 2.1-2.9 4298/2.1=87, 4753=72...(22) QD1 ILE 68 + HB ILE 40 OK 41 76 55 99 3.7-4.8 2.9/4753=48, 5247/3.2=47...(17) QG1 VAL 41 - HB ILE 40 far 0 99 0 - 5.2-5.3 QD1 LEU 43 - HB ILE 40 far 0 68 0 - 5.6-6.3 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (0.80, 0.93, 18.83 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 68 + QG2 ILE 40 OK 99 100 100 99 2.4-3.0 5249/1942=45...(26) QD1 ILE 68 - QG2 ILE 40 far 7 73 10 - 3.2-4.2 QD1 LEU 43 - QG2 ILE 40 far 0 71 0 - 4.5-5.1 QG1 VAL 41 - QG2 ILE 40 far 0 98 0 - 4.7-4.8 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (0.80, 1.03, 14.28 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + QD1 ILE 40 OK 99 99 100 100 1.9-2.3 5249=92, 4298/1942=56...(21) QD1 ILE 68 + QD1 ILE 40 OK 80 81 100 99 1.8-2.6 5247=68, 2.9/5249=51...(20) QD1 LEU 43 - QD1 ILE 40 far 0 63 0 - 5.5-5.9 QG1 VAL 41 - QD1 ILE 40 far 0 99 0 - 6.2-6.3 Violated in 0 structures by 0.00 A. Peak 4300 from cnoeabs.peaks (0.30, 1.03, 14.28 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.93: QG2 ILE 33 + QD1 ILE 40 OK 93 100 100 93 2.7-3.0 4220=44, 5376/5247=33...(9) Violated in 0 structures by 0.00 A. Peak 4301 from cnoeabs.peaks (0.17, 0.93, 18.83 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 51 + QG2 ILE 40 OK 82 83 100 99 3.4-4.0 5173/1942=53...(14) Violated in 0 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (1.41, 0.93, 18.83 ppm; 3.65 A): 1 out of 7 assignments used, quality = 0.86: HB3 ARG 69 + QG2 ILE 40 OK 86 89 100 97 1.9-3.6 1.8/4303=63, 761/292=46...(12) HB3 LEU 43 - QG2 ILE 40 far 0 68 0 - 5.5-6.2 HG3 LYS 73 - QG2 ILE 40 far 0 73 0 - 5.8-8.5 HG3 LYS 39 - QG2 ILE 40 far 0 99 0 - 6.2-6.9 HG3 LYS 75 - QG2 ILE 40 far 0 78 0 - 8.9-12.1 QB ALA 53 - QG2 ILE 40 far 0 85 0 - 9.1-9.5 HG2 LYS 75 - QG2 ILE 40 far 0 78 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 4303 from cnoeabs.peaks (1.81, 0.93, 18.83 ppm; 4.04 A): 1 out of 4 assignments used, quality = 0.99: HB2 ARG 69 + QG2 ILE 40 OK 99 99 100 100 1.9-3.5 1.8/4302=85, 4773=64...(13) HB2 LYS 73 - QG2 ILE 40 far 0 95 0 - 5.8-6.9 HB3 LYS 39 - QG2 ILE 40 far 0 65 0 - 6.4-6.8 HB3 LYS 75 - QG2 ILE 40 far 0 78 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (2.38, 1.03, 14.28 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.97: HB VAL 65 + QD1 ILE 40 OK 97 97 100 100 4.2-4.8 3.0/5033=93, ~5034=74...(14) Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (2.86, 1.03, 14.28 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.99: HB2 PHE 35 + QD1 ILE 40 OK 99 99 100 100 4.9-5.3 2.6/4318=90, ~4562=73...(12) HB3 ASP 67 - QD1 ILE 40 far 0 85 0 - 6.1-6.8 HB3 PHE 48 - QD1 ILE 40 far 0 76 0 - 6.8-7.0 Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (1.79, 1.03, 14.28 ppm; 4.89 A): 2 out of 11 assignments used, quality = 0.79: HB ILE 33 + QD1 ILE 40 OK 65 68 100 95 4.5-4.8 2.1/4300=94, 3.2/4221=16 HB2 ARG 69 + QD1 ILE 40 OK 39 99 40 99 4.4-6.0 4303/1942=67, ~4302=61...(10) HB3 LYS 39 - QD1 ILE 40 far 0 96 0 - 5.3-6.3 HB2 LEU 57 - QD1 ILE 40 far 0 63 0 - 7.7-8.5 HB2 PRO 34 - QD1 ILE 40 far 0 92 0 - 8.2-8.8 HB2 LYS 73 - QD1 ILE 40 far 0 63 0 - 8.4-9.3 HB2 ARG 54 - QD1 ILE 40 far 0 60 0 - 8.9-10.2 HB2 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.4-9.7 HB3 LYS 75 - QD1 ILE 40 far 0 99 0 - 9.6-11.4 HB3 LYS 73 - QD1 ILE 40 far 0 89 0 - 9.7-10.7 HB3 LYS 32 - QD1 ILE 40 far 0 81 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 4309 from cnoeabs.peaks (3.93, 2.12, 38.15 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + HB ILE 40 OK 100 100 100 100 3.3-3.6 4271=99, 4279/3.2=68...(19) HA ALA 28 - HB ILE 40 far 0 71 0 - 8.6-9.0 HA3 GLY 18 - HB ILE 40 far 0 100 0 - 8.9-23.2 HA LEU 62 - HB ILE 40 far 0 98 0 - 9.6-10.3 HA2 GLY 18 - HB ILE 40 far 0 100 0 - 9.7-24.1 Violated in 0 structures by 0.00 A. Peak 4310 from cnoeabs.peaks (3.93, 0.93, 18.83 ppm; 4.65 A increased from 4.13 A): 1 out of 5 assignments used, quality = 0.99: HA THR 37 + QG2 ILE 40 OK 99 99 100 100 4.3-4.7 4271/2.1=92, 4279/3.0=85...(17) HA LEU 62 - QG2 ILE 40 far 0 100 0 - 6.6-7.1 HA ALA 28 - QG2 ILE 40 far 0 60 0 - 7.7-8.1 HA3 GLY 18 - QG2 ILE 40 far 0 100 0 - 9.4-21.1 HA2 GLY 18 - QG2 ILE 40 far 0 100 0 - 9.9-21.8 Violated in 1 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (3.94, 1.90, 28.19 ppm; 4.80 A): 1 out of 5 assignments used, quality = 1.00: HA THR 37 + HG12 ILE 40 OK 100 100 100 100 2.5-3.0 4272=100, 4279/2.1=98...(18) HA ALA 28 - HG12 ILE 40 far 0 83 0 - 7.6-8.2 HA2 GLY 72 - HG12 ILE 40 far 0 71 0 - 8.1-10.2 HA3 GLY 18 - HG12 ILE 40 far 0 98 0 - 8.4-22.2 HA LEU 62 - HG12 ILE 40 far 0 93 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4313 from cnoeabs.peaks (3.94, 1.03, 14.28 ppm; 3.62 A): 1 out of 8 assignments used, quality = 0.98: HA THR 37 + QD1 ILE 40 OK 98 98 100 100 1.9-2.2 4279=83, 4272/2.1=55...(19) HA ALA 28 - QD1 ILE 40 far 0 95 0 - 5.0-5.4 HA LEU 62 - QD1 ILE 40 far 0 81 0 - 6.1-6.7 HA2 GLY 72 - QD1 ILE 40 far 0 87 0 - 6.1-8.1 HA GLN 61 - QD1 ILE 40 far 0 83 0 - 6.9-7.7 HA3 GLY 18 - QD1 ILE 40 far 0 90 0 - 7.8-18.4 HA2 GLY 18 - QD1 ILE 40 far 0 89 0 - 9.2-19.2 HA3 GLY 21 - QD1 ILE 40 far 0 99 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 4314 from cnoeabs.peaks (4.22, 1.03, 14.28 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: HB THR 37 + QD1 ILE 40 OK 100 100 100 100 2.9-3.3 4282=98, 3.0/4313=81...(17) HA LYS 39 - QD1 ILE 40 far 0 65 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 4315 from cnoeabs.peaks (4.22, 2.12, 38.15 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: HB THR 37 + HB ILE 40 OK 100 100 100 100 4.1-5.2 3.0/4271=94, 4884=90...(17) HA LYS 39 - HB ILE 40 poor 18 71 25 - 5.7-5.8 Violated in 0 structures by 0.00 A. Peak 4316 from cnoeabs.peaks (7.15, 1.03, 14.28 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + QD1 ILE 40 OK 100 100 100 100 3.5-4.0 4611=100, 4612/1942=78...(20) Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (6.95, 1.03, 14.28 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + QD1 ILE 40 OK 100 100 100 100 2.0-2.1 4573/2.1=57, 2.2/4318=56...(26) HZ PHE 35 + QD1 ILE 40 OK 99 100 100 99 3.8-4.0 3.8/4318=40, 4616=38...(21) HZ PHE 48 - QD1 ILE 40 far 0 100 0 - 4.9-5.6 HD22 ASN 42 - QD1 ILE 40 far 0 97 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 4318 from cnoeabs.peaks (6.65, 1.03, 14.28 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD1 ILE 40 OK 100 100 100 100 2.8-3.1 4562/2.1=88, 4563=61...(23) Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (6.95, 1.23, 28.19 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG13 ILE 40 OK 100 100 100 100 2.1-2.2 4573/1.8=80, 2.2/4320=59...(20) HZ PHE 35 + HG13 ILE 40 OK 99 100 100 99 4.0-4.2 ~4573=53, ~4321=49...(14) HZ PHE 48 - HG13 ILE 40 far 0 100 0 - 5.1-6.0 HD22 ASN 42 - HG13 ILE 40 far 0 98 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 4320 from cnoeabs.peaks (6.66, 1.23, 28.19 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + HG13 ILE 40 OK 99 99 100 100 3.0-3.6 4318/2.1=89, 4657/606=67...(20) Violated in 0 structures by 0.00 A. Peak 4321 from cnoeabs.peaks (6.95, 1.90, 28.19 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: QE PHE 35 + HG12 ILE 40 OK 100 100 100 100 2.6-3.0 4573=93, ~4562=67...(23) HZ PHE 35 - HG12 ILE 40 far 0 100 0 - 5.0-5.4 HZ PHE 48 - HG12 ILE 40 far 0 100 0 - 6.8-7.6 HD22 ASN 42 - HG12 ILE 40 far 0 97 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (6.64, 1.90, 28.19 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 35 + HG12 ILE 40 OK 97 97 100 100 2.6-2.8 4562/1.8=97, 2.2/4321=81...(21) Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (7.14, 0.93, 18.83 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.96: QE PHE 48 + QG2 ILE 40 OK 96 96 100 100 1.9-2.2 4612=83, 2.2/4617=70...(26) Violated in 0 structures by 0.00 A. Peak 4324 from cnoeabs.peaks (6.96, 0.93, 18.83 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: HZ PHE 48 + QG2 ILE 40 OK 96 96 100 100 3.3-3.7 4617=95, 2.2/4323=70...(22) QE PHE 35 + QG2 ILE 40 OK 92 92 100 100 3.5-3.9 4573/3.2=45, 4578=43...(27) HZ PHE 35 - QG2 ILE 40 far 0 93 0 - 4.9-5.1 HD22 ASN 42 - QG2 ILE 40 far 0 78 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (7.07, 3.63, 64.52 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 48 + HA ILE 40 OK 99 99 100 100 2.4-3.0 2.2/5120=73, 4621=69...(14) Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (7.98, 0.93, 18.83 ppm; 3.93 A): 1 out of 6 assignments used, quality = 0.99: H ARG 69 + QG2 ILE 40 OK 99 99 100 100 2.4-3.0 292=97, 291/4298=58...(17) H ARG 70 - QG2 ILE 40 far 0 73 0 - 4.4-4.8 H GLY 72 - QG2 ILE 40 far 0 93 0 - 5.2-5.6 H LYS 73 - QG2 ILE 40 far 0 83 0 - 5.6-6.3 H ALA 63 - QG2 ILE 40 far 0 100 0 - 8.5-8.9 H VAL 76 - QG2 ILE 40 far 0 89 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (7.99, 0.80, 21.38 ppm; 4.26 A): 2 out of 4 assignments used, quality = 0.99: H LYS 73 + QG1 VAL 41 OK 97 97 100 100 2.6-3.4 5264=92, 5263/2.1=66...(19) H GLY 72 + QG1 VAL 41 OK 85 100 85 100 3.5-4.7 5055/2.1=75, 3.0/4339=65...(17) H VAL 76 - QG1 VAL 41 poor 14 68 20 - 3.8-5.8 H ARG 69 - QG1 VAL 41 far 0 100 0 - 5.6-6.4 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (7.98, 0.94, 22.13 ppm; 4.20 A): 3 out of 5 assignments used, quality = 1.00: H GLY 72 + QG2 VAL 41 OK 98 98 100 100 2.2-3.6 5055=98, 3.0/4335=66...(18) H LYS 73 + QG2 VAL 41 OK 92 92 100 100 2.8-3.8 5263=78, 5264/2.1=64...(15) H ARG 69 + QG2 VAL 41 OK 82 100 85 96 3.9-4.6 2.9/5130=72, 291/1982=28...(10) H ARG 70 - QG2 VAL 41 far 0 60 0 - 4.6-5.5 H VAL 76 - QG2 VAL 41 far 0 78 0 - 5.0-7.0 Violated in 0 structures by 0.00 A. Peak 4329 from cnoeabs.peaks (6.95, 0.94, 22.13 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.98: HD22 ASN 42 + QG2 VAL 41 OK 98 98 100 100 4.4-5.1 4367/2.1=90, 1.7/4363=89...(10) HZ PHE 48 - QG2 VAL 41 far 0 100 0 - 6.7-7.4 QE PHE 35 - QG2 VAL 41 far 0 100 0 - 6.8-6.9 HZ PHE 35 - QG2 VAL 41 far 0 100 0 - 8.7-8.8 Violated in 1 structures by 0.00 A. Peak 4330 from cnoeabs.peaks (7.25, 0.94, 22.13 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.98: H ILE 40 + QG2 VAL 41 OK 98 98 100 100 3.8-4.4 915/612=85, 3.9/4349=53...(9) Violated in 0 structures by 0.00 A. Peak 4331 from cnoeabs.peaks (6.92, 0.80, 21.38 ppm; 4.86 A): 1 out of 4 assignments used, quality = 0.96: HD22 ASN 42 + QG1 VAL 41 OK 96 96 100 100 4.1-4.3 4367=85, 1.7/4364=84...(12) HD22 ASN 74 - QG1 VAL 41 far 0 76 0 - 6.7-9.8 HZ PHE 48 - QG1 VAL 41 far 0 78 0 - 8.1-8.6 QE PHE 35 - QG1 VAL 41 far 0 85 0 - 8.9-9.0 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (4.27, 1.93, 32.20 ppm; 4.29 A): 1 out of 5 assignments used, quality = 0.97: HA ASP 38 + HB VAL 41 OK 97 97 100 100 3.3-3.6 5355=97, 4337/2.1=79...(9) HA LYS 39 - HB VAL 41 far 0 87 0 - 5.4-6.0 HA ARG 17 - HB VAL 41 far 0 97 0 - 9.1-24.8 HA LYS 75 - HB VAL 41 far 0 73 0 - 9.3-10.4 HA ALA 20 - HB VAL 41 far 0 99 0 - 9.6-19.4 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (4.26, 0.80, 21.38 ppm; 5.24 A increased from 4.65 A): 1 out of 6 assignments used, quality = 0.89: HA ASP 38 + QG1 VAL 41 OK 89 89 100 100 4.7-5.0 4337/2.1=97, 4333/2.1=92...(8) HA ALA 77 - QG1 VAL 41 far 0 60 0 - 6.0-8.3 HA LYS 39 - QG1 VAL 41 far 0 96 0 - 6.2-6.7 HA LYS 75 - QG1 VAL 41 far 0 87 0 - 6.5-7.7 HA ARG 17 - QG1 VAL 41 far 0 90 0 - 9.0-22.5 HA ALA 20 - QG1 VAL 41 far 0 100 0 - 10.0-17.6 Violated in 0 structures by 0.00 A. Peak 4335 from cnoeabs.peaks (3.75, 0.94, 22.13 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.99: HA3 GLY 72 + QG2 VAL 41 OK 99 99 100 100 1.9-3.7 4794=89, 1.8/4336=75...(16) Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (3.96, 0.94, 22.13 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: HA2 GLY 72 + QG2 VAL 41 OK 100 100 100 100 1.9-3.4 4796=76, 1.8/4335=75...(17) HA THR 37 - QG2 VAL 41 far 0 76 0 - 4.6-5.0 HA VAL 76 - QG2 VAL 41 far 0 98 0 - 6.7-9.0 HA ARG 66 - QG2 VAL 41 far 0 87 0 - 6.8-7.4 HA3 GLY 21 - QG2 VAL 41 far 0 99 0 - 8.7-13.7 HA ALA 28 - QG2 VAL 41 far 0 100 0 - 9.1-9.4 HA2 GLY 21 - QG2 VAL 41 far 0 99 0 - 9.1-14.3 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (4.26, 0.94, 22.13 ppm; 3.95 A): 1 out of 7 assignments used, quality = 0.90: HA ASP 38 + QG2 VAL 41 OK 90 90 100 99 2.6-3.7 4890=80, 5355/2.1=67...(10) HA LYS 39 - QG2 VAL 41 far 0 95 0 - 5.4-5.9 HA LYS 75 - QG2 VAL 41 far 0 85 0 - 7.2-8.2 HA ALA 20 - QG2 VAL 41 far 0 100 0 - 8.3-16.0 HA LEU 64 - QG2 VAL 41 far 0 100 0 - 8.6-9.4 HA ARG 17 - QG2 VAL 41 far 0 92 0 - 9.1-20.2 HA GLU 19 - QG2 VAL 41 far 0 99 0 - 9.6-17.6 Violated in 0 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (3.73, 0.80, 21.38 ppm; 4.19 A increased from 3.94 A): 1 out of 1 assignment used, quality = 0.98: HA3 GLY 72 + QG1 VAL 41 OK 98 98 100 100 2.1-4.2 1.8/4339=79, 4794/2.1=73...(14) Violated in 1 structures by 0.00 A. Peak 4339 from cnoeabs.peaks (3.95, 0.80, 21.38 ppm; 4.07 A): 1 out of 6 assignments used, quality = 0.98: HA2 GLY 72 + QG1 VAL 41 OK 98 98 100 100 2.5-3.9 4336/2.1=74, 1.8/4338=73...(16) HA VAL 76 - QG1 VAL 41 far 0 93 0 - 5.2-7.8 HA2 GLY 18 - QG1 VAL 41 far 0 68 0 - 6.9-22.2 HA THR 37 - QG1 VAL 41 far 0 87 0 - 7.2-7.5 HA3 GLY 18 - QG1 VAL 41 far 0 71 0 - 7.3-21.8 HA ARG 66 - QG1 VAL 41 far 0 76 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 4340 from cnoeabs.peaks (4.68, 0.80, 21.38 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: HA ASN 42 + QG1 VAL 41 OK 99 100 100 100 3.6-3.9 3.0/147=75, ~146=49...(9) Violated in 0 structures by 0.00 A. Peak 4341 from cnoeabs.peaks (1.38, 3.58, 65.23 ppm; 3.93 A): 3 out of 9 assignments used, quality = 0.93: HG3 ARG 69 + HA VAL 41 OK 83 100 85 98 2.4-4.4 5253=66, 1.8/4342=55...(15) HG3 LYS 73 + HA VAL 41 OK 41 99 45 92 3.4-6.7 5258/3.2=41, ~4904=33...(13) HB3 ARG 69 + HA VAL 41 OK 27 93 30 98 4.0-5.7 3.0/5253=49, 3.0/4342=46...(20) HG3 LYS 39 - HA VAL 41 far 0 73 0 - 7.2-8.5 HG3 LYS 75 - HA VAL 41 far 0 98 0 - 8.1-11.9 QB ALA 77 - HA VAL 41 far 0 100 0 - 8.2-10.5 HG2 LYS 75 - HA VAL 41 far 0 98 0 - 8.8-12.3 QB ALA 16 - HA VAL 41 far 0 81 0 - 9.4-25.5 QB ALA 20 - HA VAL 41 far 0 100 0 - 10.0-19.0 Violated in 0 structures by 0.00 A. Peak 4342 from cnoeabs.peaks (1.22, 3.58, 65.23 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.76: HG2 ARG 69 + HA VAL 41 OK 76 76 100 100 3.0-4.7 1.8/5253=83, 5254=72...(16) HG13 ILE 40 - HA VAL 41 far 0 93 0 - 6.5-6.6 QG1 VAL 65 - HA VAL 41 far 0 92 0 - 6.7-7.1 QG2 VAL 65 - HA VAL 41 far 0 100 0 - 9.0-9.4 Violated in 1 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (2.03, 3.58, 65.23 ppm; 6.10 A increased from 4.88 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 69 + HA VAL 41 OK 100 100 100 100 4.2-6.1 3.0/5253=93, 3.0/4342=92...(12) HD3 ARG 69 + HA VAL 41 OK 100 100 100 100 4.9-6.2 3.0/5253=93, 3.0/4342=92...(12) HB VAL 76 - HA VAL 41 far 0 93 0 - 7.3-9.9 HG2 PRO 44 - HA VAL 41 far 0 89 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (1.39, 0.80, 21.38 ppm; 4.18 A increased from 3.94 A): 2 out of 10 assignments used, quality = 0.95: HG3 LYS 73 + QG1 VAL 41 OK 90 100 90 100 2.1-4.7 1.8/4904=75, 5258=64...(17) HG3 ARG 69 + QG1 VAL 41 OK 50 92 55 99 3.6-5.5 1.8/4903=64, 5253/3.2=49...(16) HG3 LYS 75 - QG1 VAL 41 far 0 100 0 - 4.5-7.8 HG2 LYS 75 - QG1 VAL 41 far 0 100 0 - 4.9-8.3 HB3 ARG 69 - QG1 VAL 41 far 0 100 0 - 5.0-6.1 QB ALA 77 - QG1 VAL 41 far 0 90 0 - 5.7-7.1 QB ALA 78 - QG1 VAL 41 far 0 100 0 - 7.5-9.8 HG3 LYS 39 - QG1 VAL 41 far 0 95 0 - 7.6-8.6 QB ALA 20 - QG1 VAL 41 far 0 93 0 - 8.5-15.4 HG2 LYS 83 - QG1 VAL 41 far 0 76 0 - 9.5-20.1 Violated in 0 structures by 0.00 A. Peak 4345 from cnoeabs.peaks (1.63, 0.80, 21.38 ppm; 4.93 A increased from 4.38 A): 2 out of 5 assignments used, quality = 0.95: HD2 LYS 73 + QG1 VAL 41 OK 82 87 95 100 3.1-5.4 2.9/4904=79, 2.9/5258=68...(14) HD3 LYS 73 + QG1 VAL 41 OK 74 87 85 100 2.3-5.8 2.9/4904=79, 2.9/5258=68...(14) HG2 ARG 71 - QG1 VAL 41 far 0 98 0 - 5.3-8.6 HG3 ARG 70 - QG1 VAL 41 far 0 90 0 - 6.9-9.1 HB3 LEU 51 - QG1 VAL 41 far 0 60 0 - 10.0-10.4 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (1.78, 0.80, 21.38 ppm; 4.65 A increased from 4.37 A): 1 out of 4 assignments used, quality = 0.99: HB3 LYS 73 + QG1 VAL 41 OK 99 99 100 100 4.2-4.4 3.0/5403=74, 2.9/4904=72...(16) HB3 LYS 75 - QG1 VAL 41 far 15 100 15 - 4.5-6.5 HB2 ARG 69 - QG1 VAL 41 far 0 89 0 - 5.4-6.0 HB3 LYS 39 - QG1 VAL 41 far 0 100 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 4347 from cnoeabs.peaks (1.38, 0.94, 22.13 ppm; 4.79 A increased from 4.26 A): 3 out of 10 assignments used, quality = 1.00: HG3 ARG 69 + QG2 VAL 41 OK 95 100 95 100 3.2-5.3 3.9/5130=72, 5253/3.2=69...(18) HB3 ARG 69 + QG2 VAL 41 OK 84 89 95 100 3.6-5.3 3.0/5130=85, ~4903=45...(20) HG3 LYS 73 + QG2 VAL 41 OK 63 97 65 100 4.0-6.5 5258/2.1=72, ~4904=64...(15) HG3 LYS 75 - QG2 VAL 41 far 5 96 5 - 5.0-8.2 HG2 LYS 75 - QG2 VAL 41 far 0 96 0 - 5.9-8.1 QB ALA 20 - QG2 VAL 41 far 0 100 0 - 6.8-13.8 HG3 LYS 39 - QG2 VAL 41 far 0 65 0 - 6.9-7.7 QB ALA 77 - QG2 VAL 41 far 0 100 0 - 7.2-8.2 QB ALA 16 - QG2 VAL 41 far 0 87 0 - 7.9-19.9 QB ALA 78 - QG2 VAL 41 far 0 97 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 4348 from cnoeabs.peaks (1.79, 0.94, 22.13 ppm; 5.15 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 69 + QG2 VAL 41 OK 99 99 100 100 3.9-5.2 3.0/5130=91, ~4903=52...(17) HB2 LYS 73 + QG2 VAL 41 OK 65 65 100 100 3.9-5.0 3.0/5625=69, 4.0/5263=67...(20) HB3 LYS 73 - QG2 VAL 41 far 13 87 15 - 5.2-6.1 HB3 LYS 75 - QG2 VAL 41 far 10 99 10 - 5.3-6.7 HB3 LYS 39 - QG2 VAL 41 far 0 95 0 - 6.7-7.3 HB ILE 33 - QG2 VAL 41 far 0 65 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 4349 from cnoeabs.peaks (2.10, 0.94, 22.13 ppm; 4.91 A): 1 out of 5 assignments used, quality = 0.62: HB ILE 40 + QG2 VAL 41 OK 62 63 100 99 2.8-3.0 4.5/612=73, 4350/2.1=61...(9) HB2 PRO 36 - QG2 VAL 41 far 0 60 0 - 6.7-7.5 HG2 PRO 36 - QG2 VAL 41 far 0 100 0 - 7.2-7.9 HG3 PRO 36 - QG2 VAL 41 far 0 100 0 - 8.4-9.2 HB3 PRO 44 - QG2 VAL 41 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 4350 from cnoeabs.peaks (2.10, 0.80, 21.38 ppm; 5.60 A increased from 4.97 A): 1 out of 4 assignments used, quality = 0.62: HB ILE 40 + QG1 VAL 41 OK 62 63 100 99 5.2-5.3 4349/2.1=91, ~5210=66...(5) HB3 PRO 44 - QG1 VAL 41 far 0 100 0 - 8.6-9.2 HB2 PRO 36 - QG1 VAL 41 far 0 60 0 - 8.8-9.0 HG2 PRO 36 - QG1 VAL 41 far 0 100 0 - 9.0-9.2 Violated in 0 structures by 0.00 A. Peak 4351 from cnoeabs.peaks (2.77, 0.80, 21.38 ppm; 5.57 A increased from 4.95 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 42 + QG1 VAL 41 OK 96 96 100 100 5.6-5.9 3.0/4340=87, 4.1/147=83...(8) HB2 ASN 42 + QG1 VAL 41 OK 93 93 100 100 5.2-5.8 3.0/4340=87, 4.1/147=83...(9) HB3 ASN 74 - QG1 VAL 41 far 0 97 0 - 6.2-7.8 HB3 ASN 80 - QG1 VAL 41 far 0 92 0 - 6.5-11.1 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (4.26, 2.76, 39.67 ppm; 4.52 A): 2 out of 9 assignments used, quality = 1.00: HA LYS 39 + HB2 ASN 42 OK 94 99 100 94 2.0-2.7 5790/4.1=50, 4371/4.4=48...(6) HA LYS 39 + HB3 ASN 42 OK 92 99 100 93 3.5-4.2 5790/4.1=50, 4371/4.4=48...(5) HA ASP 38 - HB2 ASN 42 far 8 76 10 - 4.7-6.0 HA ASP 38 - HB3 ASN 42 far 0 76 0 - 6.2-6.6 HA ARG 17 - HB2 ASN 42 far 0 78 0 - 7.4-25.5 HA ARG 17 - HB3 ASN 42 far 0 78 0 - 7.6-26.6 HA THR 15 - HB3 ASN 42 far 0 97 0 - 8.8-33.4 HA ALA 20 - HB2 ASN 42 far 0 100 0 - 9.1-21.5 HA THR 15 - HB2 ASN 42 far 0 97 0 - 9.8-32.4 Violated in 0 structures by 0.00 A. Peak 4360 from cnoeabs.peaks (1.95, 2.76, 39.67 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.93: HB VAL 41 + HB2 ASN 42 OK 73 73 100 100 4.6-5.2 4906/3.5=69, 3.9/5623=66...(8) HB VAL 41 + HB3 ASN 42 OK 73 73 100 100 5.4-5.8 4906/3.5=69, 146/4.1=63...(7) Violated in 0 structures by 0.00 A. Peak 4361 from cnoeabs.peaks (0.93, 2.76, 39.67 ppm; 4.98 A): 2 out of 10 assignments used, quality = 0.75: QD2 LEU 43 + HB3 ASN 42 OK 50 89 100 56 3.9-5.1 2037/4.4=56 QD2 LEU 43 + HB2 ASN 42 OK 50 88 100 56 4.2-4.9 2037/4.4=56 QG2 VAL 41 - HB2 ASN 42 far 0 99 0 - 5.4-5.9 QG2 VAL 41 - HB3 ASN 42 far 0 99 0 - 6.4-6.7 QG1 VAL 76 - HB2 ASN 42 far 0 99 0 - 6.5-10.6 QG2 ILE 40 - HB2 ASN 42 far 0 100 0 - 6.6-7.0 QG2 VAL 76 - HB2 ASN 42 far 0 99 0 - 6.7-11.2 QG1 VAL 76 - HB3 ASN 42 far 0 99 0 - 6.8-10.9 QG2 VAL 76 - HB3 ASN 42 far 0 99 0 - 6.9-11.1 QG2 ILE 40 - HB3 ASN 42 far 0 100 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (0.79, 2.76, 39.67 ppm; 5.38 A increased from 5.06 A): 2 out of 5 assignments used, quality = 0.92: QG1 VAL 41 + HB2 ASN 42 OK 90 100 90 100 5.2-5.8 4340/3.0=83, 147/4.1=79...(9) QG1 VAL 41 + HB3 ASN 42 OK 25 100 25 100 5.6-5.9 4340/3.0=83, 147/4.1=79...(8) QG2 ILE 68 - HB2 ASN 42 far 0 88 0 - 6.9-8.2 QG2 ILE 68 - HB3 ASN 42 far 0 89 0 - 8.2-9.2 QD1 ILE 68 - HB2 ASN 42 far 0 96 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 4368 from cnoeabs.peaks (8.78, 1.72, 42.41 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: H PHE 48 + HB2 LEU 43 OK 100 100 100 100 3.9-4.6 4458=93, 4459/1.8=90...(16) H ASP 46 - HB2 LEU 43 far 0 99 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 4369 from cnoeabs.peaks (8.77, 1.44, 42.41 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: H PHE 48 + HB3 LEU 43 OK 100 100 100 100 2.8-3.3 4459=99, 4368/1.8=82...(17) H ASP 46 - HB3 LEU 43 far 0 100 0 - 6.0-6.1 Violated in 0 structures by 0.00 A. Peak 4370 from cnoeabs.peaks (7.07, 0.83, 26.57 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QD1 LEU 43 OK 100 100 100 100 3.7-4.0 4624=92, 3.7/5295=59...(17) Violated in 0 structures by 0.00 A. Peak 4373 from cnoeabs.peaks (4.04, 4.53, 53.96 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: HD2 PRO 44 + HA LEU 43 OK 100 100 100 100 2.3-2.3 4398=96, 1.8/4374=74...(10) HA PHE 48 - HA LEU 43 far 0 93 0 - 5.6-6.2 HD2 PRO 44 - HA LYS 13 far 0 91 0 - 7.7-41.8 Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (3.65, 4.53, 53.96 ppm; 3.12 A): 1 out of 4 assignments used, quality = 0.87: HD3 PRO 44 + HA LEU 43 OK 87 89 100 98 2.2-2.3 1.8/4373=64, 3.8=57...(9) HA ILE 40 - HA LEU 43 far 0 85 0 - 6.0-6.3 HA ARG 69 - HA LEU 43 far 0 76 0 - 8.5-9.5 HD3 PRO 44 - HA LYS 13 far 0 77 0 - 8.9-40.7 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (3.66, 1.72, 42.41 ppm; 5.02 A): 2 out of 4 assignments used, quality = 0.99: HD3 PRO 44 + HB2 LEU 43 OK 96 96 100 100 3.9-4.0 4.8=100 HA ILE 40 + HB2 LEU 43 OK 73 73 100 99 3.1-3.5 4372/621=60, 5123=60...(7) HA ARG 69 - HB2 LEU 43 far 0 63 0 - 6.6-7.5 HA VAL 65 - HB2 LEU 43 far 0 68 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (4.05, 1.72, 42.41 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.78: HA PHE 48 + HB2 LEU 43 OK 78 78 100 100 3.3-4.0 3.0/4475=62, 4468/3.1=62...(23) HD2 PRO 44 - HB2 LEU 43 far 9 95 10 - 4.8-4.9 Violated in 0 structures by 0.00 A. Peak 4377 from cnoeabs.peaks (4.04, 1.44, 42.41 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + HB3 LEU 43 OK 100 100 100 100 3.7-3.9 4.8=86, 4373/3.0=86...(19) HA PHE 48 + HB3 LEU 43 OK 97 97 100 100 3.2-3.6 4465=80, 4468/3.1=75...(23) Violated in 0 structures by 0.00 A. Peak 4378 from cnoeabs.peaks (3.67, 1.44, 42.41 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 44 + HB3 LEU 43 OK 99 99 100 100 2.3-2.5 4403=93, 4374/3.0=82...(20) HA VAL 45 - HB3 LEU 43 far 0 60 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. Peak 4379 from cnoeabs.peaks (2.87, 1.44, 42.41 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.95: HB3 PHE 48 + HB3 LEU 43 OK 95 95 100 100 3.0-3.2 4382/1.8=88, 4476=87...(20) HB2 ASN 49 - HB3 LEU 43 far 0 60 0 - 7.4-7.9 HB2 PHE 35 - HB3 LEU 43 far 0 90 0 - 8.5-8.9 Violated in 0 structures by 0.00 A. Peak 4380 from cnoeabs.peaks (2.60, 1.44, 42.41 ppm; 4.63 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASP 47 + HB3 LEU 43 OK 99 99 100 100 2.0-3.0 4389/3.1=79, 1.8/4442=78...(18) HB3 ASP 38 - HB3 LEU 43 far 0 73 0 - 9.7-11.4 HB2 ASP 38 - HB3 LEU 43 far 0 76 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 4381 from cnoeabs.peaks (2.59, 1.72, 42.41 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HB3 ASP 47 + HB2 LEU 43 OK 100 100 100 100 3.8-4.8 4380/1.8=85, 4448/3.1=82...(17) HB2 ASP 38 - HB2 LEU 43 far 0 57 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (2.86, 1.72, 42.41 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.87: HB3 PHE 48 + HB2 LEU 43 OK 87 87 100 100 2.8-3.4 4475=85, 3.0/4376=72...(19) HB2 PHE 35 - HB2 LEU 43 far 0 97 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (3.96, 0.84, 25.67 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: HA ALA 28 + QD2 LEU 64 OK 100 100 100 100 2.4-2.9 4173=86, 2.1/5162=59...(16) HA GLN 61 + QD2 LEU 64 OK 82 98 85 98 3.4-4.0 4503/6122=41...(15) HA THR 37 - QD2 LEU 64 far 0 83 0 - 5.1-6.1 HA LYS 32 - QD2 LEU 64 far 0 81 0 - 6.4-6.8 HA ARG 66 - QD2 LEU 64 far 0 81 0 - 7.0-7.6 HA2 GLY 72 - QD2 LEU 64 far 0 99 0 - 8.9-11.0 HA3 GLY 18 - QD2 LEU 64 far 0 65 0 - 10.0-17.6 Violated in 0 structures by 0.00 A. Peak 4387 from cnoeabs.peaks (4.03, 0.94, 22.80 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.98: HD2 PRO 44 + QD2 LEU 43 OK 98 99 100 100 2.8-3.3 1.8/4388=71, 4401=68...(15) HA PHE 48 - QD2 LEU 43 far 0 100 0 - 4.6-4.8 HA ARG 54 - QD2 LEU 43 far 0 78 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (3.66, 0.94, 22.80 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.98: HD3 PRO 44 + QD2 LEU 43 OK 98 98 100 100 1.9-2.4 1.8/4387=72...(15) HA ILE 40 - QD2 LEU 43 far 0 65 0 - 5.4-5.7 Violated in 0 structures by 0.00 A. Peak 4389 from cnoeabs.peaks (2.60, 0.94, 22.80 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.97: HB3 ASP 47 + QD2 LEU 43 OK 97 97 100 100 2.2-2.6 1.8/4907=75, 4448=75...(19) HB3 ASP 38 - QD2 LEU 43 far 0 81 0 - 7.4-9.4 HB2 ASP 38 - QD2 LEU 43 far 0 83 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (4.24, 1.99, 26.77 ppm; 4.44 A): 1 out of 7 assignments used, quality = 0.91: HA LYS 39 + HG LEU 43 OK 91 92 100 99 2.9-3.6 5357/2.1=76, 4371/623=65...(8) HA THR 15 - HG2 PRO 14 far 0 57 0 - 4.8-5.5 HA ALA 12 - HG3 PRO 14 far 0 40 0 - 5.9-9.0 HA THR 15 - HG3 PRO 14 far 0 57 0 - 6.2-6.8 HA ALA 12 - HG2 PRO 14 far 0 40 0 - 6.8-8.8 HA LYS 85 - HG3 PRO 14 far 0 61 0 - 9.8-66.4 HA LYS 39 - HG2 PRO 14 far 0 52 0 - 9.9-35.0 Violated in 0 structures by 0.00 A. Peak 4392 from cnoeabs.peaks (7.26, 2.48, 32.30 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.98: H ASP 47 + HB2 PRO 44 OK 98 98 100 100 4.5-4.7 4431/1.8=96, 6063/2.3=85...(8) H ILE 40 - HB3 PRO 36 far 0 46 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 4393 from cnoeabs.peaks (7.26, 2.09, 32.30 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.99: H ASP 47 + HB3 PRO 44 OK 99 99 100 100 3.2-3.4 4431=99, 6063/2.3=81...(11) Violated in 0 structures by 0.00 A. Peak 4394 from cnoeabs.peaks (7.25, 2.05, 27.95 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.90: H ASP 47 + HG2 PRO 44 OK 90 90 100 100 1.9-2.0 4431/2.3=90, 6064/1.8=90...(15) HE ARG 54 - HG2 PRO 44 far 0 95 0 - 8.5-13.0 Violated in 0 structures by 0.00 A. Peak 4395 from cnoeabs.peaks (7.27, 2.14, 27.95 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: H ASP 47 + HG3 PRO 44 OK 100 100 100 100 3.5-3.6 6064=100, 6063/1.8=98...(8) HE ARG 54 - HG3 PRO 44 far 0 100 0 - 9.5-14.1 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (2.60, 4.04, 50.94 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.97: HB3 ASP 47 + HD2 PRO 44 OK 97 97 100 100 3.6-4.1 4397/1.8=87...(13) Violated in 0 structures by 0.00 A. Peak 4397 from cnoeabs.peaks (2.59, 3.67, 50.94 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASP 47 + HD3 PRO 44 OK 100 100 100 100 2.0-2.4 4437=77, 1.8/4435=74...(15) Violated in 0 structures by 0.00 A. Peak 4398 from cnoeabs.peaks (4.53, 4.04, 50.94 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 43 + HD2 PRO 44 OK 100 100 100 100 2.3-2.3 4373=100, 4374/1.8=76...(9) HA LYS 13 - HD2 PRO 44 far 0 99 0 - 7.7-41.8 Violated in 0 structures by 0.00 A. Peak 4399 from cnoeabs.peaks (4.53, 3.67, 50.94 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 43 + HD3 PRO 44 OK 100 100 100 100 2.2-2.3 3.8=89, 4373/1.8=82...(8) HA LYS 13 - HD3 PRO 44 far 0 99 0 - 8.9-40.7 Violated in 0 structures by 0.00 A. Peak 4400 from cnoeabs.peaks (1.44, 4.04, 50.94 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 43 + HD2 PRO 44 OK 100 100 100 100 3.7-3.9 4.8=100 HG2 LYS 13 - HD2 PRO 44 far 0 87 0 - 7.7-42.1 HG3 LYS 13 - HD2 PRO 44 far 0 92 0 - 8.1-41.9 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (0.93, 4.04, 50.94 ppm; 3.88 A): 1 out of 5 assignments used, quality = 0.97: QD2 LEU 43 + HD2 PRO 44 OK 97 97 100 100 2.8-3.3 4387=95, 4388/1.8=81...(15) QG2 VAL 76 - HD2 PRO 44 far 0 95 0 - 8.2-13.7 QG2 ILE 40 - HD2 PRO 44 far 0 100 0 - 8.2-8.6 QG1 VAL 76 - HD2 PRO 44 far 0 95 0 - 8.3-14.1 QG2 VAL 41 - HD2 PRO 44 far 0 100 0 - 8.8-9.1 Violated in 0 structures by 0.00 A. Peak 4402 from cnoeabs.peaks (0.82, 4.04, 50.94 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 43 + HD2 PRO 44 OK 99 99 100 100 5.0-5.3 2.1/4387=98, ~4388=84...(14) QG1 VAL 41 - HD2 PRO 44 far 0 65 0 - 7.6-8.2 QD2 LEU 86 - HD2 PRO 44 far 0 97 0 - 9.1-30.7 QG2 ILE 89 - HD2 PRO 44 far 0 85 0 - 9.8-35.8 QD1 ILE 89 - HD2 PRO 44 far 0 96 0 - 9.9-38.2 Violated in 1 structures by 0.00 A. Peak 4403 from cnoeabs.peaks (1.44, 3.67, 50.94 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: HB3 LEU 43 + HD3 PRO 44 OK 100 100 100 100 2.3-2.5 4378=99, 3.0/4399=83...(20) HG2 LYS 13 - HD3 PRO 44 far 0 96 0 - 8.5-40.8 HG3 LYS 13 - HD3 PRO 44 far 0 81 0 - 8.7-40.6 Violated in 0 structures by 0.00 A. Peak 4404 from cnoeabs.peaks (0.93, 3.67, 50.94 ppm; 4.30 A): 1 out of 7 assignments used, quality = 0.89: QD2 LEU 43 + HD3 PRO 44 OK 89 89 100 100 1.9-2.4 4388=87, 4401/1.8=85...(15) QG2 ILE 40 - HD3 PRO 44 far 0 100 0 - 7.4-8.0 QG2 VAL 41 - HD3 PRO 44 far 0 99 0 - 8.7-9.2 QG1 VAL 90 - HD3 PRO 44 far 0 63 0 - 8.9-41.0 QG1 VAL 76 - HD3 PRO 44 far 0 99 0 - 9.2-14.7 QG2 VAL 76 - HD3 PRO 44 far 0 99 0 - 9.3-14.6 QG2 VAL 90 - HD3 PRO 44 far 0 60 0 - 9.5-41.2 Violated in 0 structures by 0.00 A. Peak 4405 from cnoeabs.peaks (0.83, 3.67, 50.94 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 43 + HD3 PRO 44 OK 100 100 100 100 3.7-4.1 2.1/4388=97, ~4387=79...(16) QG2 ILE 89 - HD3 PRO 44 far 0 99 0 - 9.8-36.7 QG2 ILE 68 - HD3 PRO 44 far 0 71 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (2.88, 3.69, 66.64 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: HB3 PHE 48 + HA VAL 45 OK 100 100 100 100 3.8-4.0 4866=91, 1.8/4407=82...(14) HB2 ASN 49 - HA VAL 45 far 0 93 0 - 5.1-5.4 Violated in 1 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (3.11, 3.69, 66.64 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.91: HB2 PHE 48 + HA VAL 45 OK 91 92 100 100 2.5-2.7 4455=69, 1.8/4406=67...(13) Violated in 0 structures by 0.00 A. Peak 4408 from cnoeabs.peaks (2.89, 1.07, 22.09 ppm; 5.03 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 49 + QG2 VAL 45 OK 100 100 100 100 4.4-4.6 3.5/4422=79, 3.5/4420=78...(11) HB3 PHE 48 + QG2 VAL 45 OK 90 95 95 100 5.1-5.4 2.5/4421=87, 1.8/4409=83...(12) Violated in 0 structures by 0.00 A. Peak 4409 from cnoeabs.peaks (3.13, 1.07, 22.09 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: HB2 PHE 48 + QG2 VAL 45 OK 100 100 100 100 3.9-4.1 2.5/4421=85, 4455/3.2=77...(13) Violated in 0 structures by 0.00 A. Peak 4410 from cnoeabs.peaks (2.53, 0.99, 19.47 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.78: HB3 ASP 46 + QG1 VAL 45 OK 78 78 100 100 3.3-4.2 3.0/4433=85, 4.0/166=81...(8) Violated in 0 structures by 0.00 A. Peak 4411 from cnoeabs.peaks (2.68, 0.99, 19.47 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.90: HB2 ASP 46 + QG1 VAL 45 OK 90 90 100 100 3.0-4.5 3.0/4433=86, 4.0/166=82...(8) HB3 ASN 49 - QG1 VAL 45 far 0 100 0 - 5.9-6.1 HB2 ASP 47 - QG1 VAL 45 far 0 89 0 - 6.2-7.4 HB2 ASN 80 - QG1 VAL 45 far 0 83 0 - 9.2-16.2 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (2.89, 0.99, 19.47 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASN 49 + QG1 VAL 45 OK 99 99 100 100 4.7-4.8 3.5/4423=87, 3.5/4498=85...(11) HB3 PHE 48 - QG1 VAL 45 far 0 99 0 - 6.0-6.2 Violated in 0 structures by 0.00 A. Peak 4414 from cnoeabs.peaks (4.56, 3.69, 66.64 ppm; 5.50 A): 1 out of 2 assignments used, quality = 0.99: HA PRO 44 + HA VAL 45 OK 99 99 100 100 4.3-4.3 155/3.0=98, 4415/3.0=79...(8) HA LEU 43 - HA VAL 45 far 0 63 0 - 7.2-7.2 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (4.56, 2.06, 31.70 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.99: HA PRO 44 + HB VAL 45 OK 99 100 100 100 4.5-4.5 155/2098=84, 5654/2.1=70...(5) Violated in 0 structures by 0.00 A. Peak 4416 from cnoeabs.peaks (4.50, 1.07, 22.09 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 46 + QG2 VAL 45 OK 100 100 100 100 4.1-4.2 4433/2.1=92, 3.0/165=77...(16) HA ASP 67 - QG2 VAL 45 far 0 85 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 4417 from cnoeabs.peaks (4.49, 0.99, 19.47 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 46 + QG1 VAL 45 OK 100 100 100 100 3.0-3.1 4433=100, 3.0/166=74...(16) Violated in 0 structures by 0.00 A. Peak 4418 from cnoeabs.peaks (7.06, 3.69, 66.64 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + HA VAL 45 OK 100 100 100 100 3.2-3.4 2.5/4407=82, 2.5/4406=77...(12) Violated in 0 structures by 0.00 A. Peak 4419 from cnoeabs.peaks (6.01, 3.69, 66.64 ppm; 5.49 A): 0 out of 0 assignments used, quality = 0.00: Peak 4420 from cnoeabs.peaks (7.83, 1.07, 22.09 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: HD22 ASN 49 + QG2 VAL 45 OK 100 100 100 100 2.9-3.3 4499=99, 1.7/4422=77...(9) Violated in 0 structures by 0.00 A. Peak 4421 from cnoeabs.peaks (7.07, 1.07, 22.09 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QG2 VAL 45 OK 100 100 100 100 3.3-3.6 4651=57, 4418/3.2=55...(13) Violated in 0 structures by 0.00 A. Peak 4422 from cnoeabs.peaks (6.85, 1.07, 22.09 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.95: HD21 ASN 49 + QG2 VAL 45 OK 95 96 100 100 2.5-2.7 1.7/4499=74, 4497=73...(9) Violated in 0 structures by 0.00 A. Peak 4423 from cnoeabs.peaks (7.82, 0.99, 19.47 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.97: HD22 ASN 49 + QG1 VAL 45 OK 97 97 100 100 3.4-3.6 4500=94, 1.7/4498=71...(9) Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (7.26, 0.99, 19.47 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.99: H ASP 47 + QG1 VAL 45 OK 99 99 100 100 4.6-4.6 919/166=89, 3.6/4433=76...(12) Violated in 0 structures by 0.00 A. Peak 4425 from cnoeabs.peaks (6.86, 0.99, 19.47 ppm; 4.13 A increased from 3.89 A): 1 out of 1 assignment used, quality = 0.99: HD21 ASN 49 + QG1 VAL 45 OK 99 99 100 100 3.9-3.9 4498=99, 1.7/4423=82...(9) Violated in 0 structures by 0.00 A. Peak 4430 from cnoeabs.peaks (2.08, 2.55, 39.53 ppm; 5.84 A): 3 out of 3 assignments used, quality = 0.98: HB3 PRO 44 + HB3 ASP 46 OK 93 95 100 98 3.1-3.9 4431/170=94, 164/634=46...(4) HB VAL 45 + HB3 ASP 46 OK 57 96 60 100 5.8-6.7 4.4/634=89, 2.1/4445=88...(7) HG2 PRO 44 + HB3 ASP 46 OK 49 57 100 85 3.2-3.6 164/634=49, 4394/170=40...(5) Violated in 0 structures by 0.00 A. Peak 4433 from cnoeabs.peaks (0.98, 4.49, 57.78 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: QG1 VAL 45 + HA ASP 46 OK 100 100 100 100 3.0-3.1 4417=94, 166/3.0=72...(16) QD1 LEU 64 - HA ASP 67 far 0 48 0 - 6.1-6.7 QD1 LEU 57 - HA ASP 67 far 0 82 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 4434 from cnoeabs.peaks (4.04, 2.67, 40.94 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 44 + HB2 ASP 47 OK 100 100 100 100 3.6-4.9 5645=97, 1.8/4435=92...(15) HA PHE 48 + HB2 ASP 47 OK 96 96 100 100 4.0-5.4 3.0/173=87, 4468/4914=69...(8) Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (3.67, 2.67, 40.94 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HB2 ASP 47 OK 100 100 100 100 2.1-3.3 5644=97, 4397/1.8=81...(17) HA VAL 45 - HB2 ASP 47 far 0 65 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 4436 from cnoeabs.peaks (4.04, 2.59, 40.94 ppm; 5.31 A): 2 out of 3 assignments used, quality = 1.00: HD2 PRO 44 + HB3 ASP 47 OK 99 99 100 100 3.6-4.1 1.8/4397=96, 4396=95...(13) HA PHE 48 + HB3 ASP 47 OK 89 89 100 100 3.8-4.6 3.0/174=91, 4468/4449=70...(8) HA ARG 26 - HB3 ASP 24 far 0 38 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 4437 from cnoeabs.peaks (3.67, 2.59, 40.94 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HB3 ASP 47 OK 100 100 100 100 2.0-2.4 4397=100, 5644/1.8=85...(15) HA VAL 45 - HB3 ASP 47 far 0 78 0 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (2.04, 4.39, 56.46 ppm; 3.44 A): 1 out of 7 assignments used, quality = 0.97: HB2 GLU 50 + HA ASP 47 OK 97 100 100 97 2.6-3.5 4510=80, 654/4506=47...(8) HG2 PRO 44 - HA ASP 47 far 0 99 0 - 4.1-4.2 HB3 GLU 50 - HA ASP 47 far 0 100 0 - 4.2-4.9 HB3 GLN 91 - HA ASP 47 far 0 100 0 - 7.5-53.8 HB VAL 45 - HA ASP 47 far 0 73 0 - 8.7-8.8 HD2 ARG 69 - HA ASP 47 far 0 97 0 - 8.9-12.4 HD3 ARG 69 - HA ASP 47 far 0 97 0 - 9.6-12.7 Violated in 3 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (2.07, 2.70, 39.53 ppm; 5.74 A): 3 out of 6 assignments used, quality = 0.96: HB3 PRO 44 + HB2 ASP 46 OK 79 83 100 95 3.5-4.6 4431/169=83, 164/633=46...(4) HG2 PRO 44 + HB2 ASP 46 OK 66 76 100 87 4.0-4.4 4394/169=50, 164/633=50...(5) HB VAL 45 + HB2 ASP 46 OK 40 100 40 100 5.6-7.2 3835/633=89, 2.1/4411=83...(8) HB2 GLU 50 - HB2 ASP 46 lone 5 57 60 15 5.3-7.3 5673/4.6=13 HB3 GLU 50 - HB2 ASP 46 far 0 57 0 - 6.9-9.0 HB3 GLN 91 - HB2 ASP 46 far 0 57 0 - 7.2-53.6 Violated in 0 structures by 0.00 A. Peak 4441 from cnoeabs.peaks (2.05, 2.67, 40.94 ppm; 5.07 A): 2 out of 7 assignments used, quality = 1.00: HG2 PRO 44 + HB2 ASP 47 OK 99 99 100 100 2.0-3.7 2.3/4435=84, 5134/1.8=77...(12) HB2 GLU 50 + HB2 ASP 47 OK 68 95 75 97 4.5-5.8 4510/3.0=84, ~4511=40...(5) HB3 GLU 50 - HB2 ASP 47 far 0 95 0 - 5.7-7.0 HB3 GLN 91 - HB2 ASP 47 far 0 95 0 - 7.6-52.5 HB VAL 45 - HB2 ASP 47 far 0 96 0 - 8.0-9.2 HD2 ARG 69 - HB2 ASP 47 far 0 76 0 - 8.4-12.1 HD3 ARG 69 - HB2 ASP 47 far 0 76 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 4442 from cnoeabs.peaks (1.43, 2.67, 40.94 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 43 + HB2 ASP 47 OK 100 100 100 100 3.1-3.8 4912=97, 4380/1.8=79...(19) HG3 LYS 39 - HB2 ASP 47 far 0 60 0 - 6.1-7.8 HG3 LYS 13 - HB2 ASP 47 far 0 76 0 - 9.6-39.3 HG2 LYS 13 - HB2 ASP 47 far 0 97 0 - 9.9-39.2 Violated in 0 structures by 0.00 A. Peak 4443 from cnoeabs.peaks (1.42, 2.59, 40.94 ppm; 5.12 A): 1 out of 5 assignments used, quality = 0.92: HB3 LEU 43 + HB3 ASP 47 OK 92 92 100 100 2.0-3.0 4380=91, 3.1/4389=86...(18) HG3 LYS 39 - HB3 ASP 47 far 0 87 0 - 6.3-7.3 QB ALA 30 - HB3 ASP 24 far 0 38 0 - 8.9-9.3 HB3 ARG 69 - HB3 ASP 47 far 0 63 0 - 9.3-11.4 HG2 LYS 13 - HB3 ASP 47 far 0 100 0 - 9.8-40.6 Violated in 0 structures by 0.00 A. Peak 4444 from cnoeabs.peaks (2.06, 2.59, 40.94 ppm; 4.84 A): 2 out of 10 assignments used, quality = 0.98: HG2 PRO 44 + HB3 ASP 47 OK 97 97 100 100 2.0-3.3 2.3/4397=82, 5134=78...(13) HB2 GLU 25 + HB3 ASP 24 OK 24 59 50 81 5.0-6.1 522/53=76, 3.0/5524=12 HB2 GLU 50 - HB3 ASP 47 far 13 89 15 - 5.1-6.4 HB3 GLU 25 - HB3 ASP 24 far 0 59 0 - 6.2-7.3 HB3 GLU 50 - HB3 ASP 47 far 0 89 0 - 6.5-7.8 HB3 GLU 19 - HB3 ASP 24 far 0 44 0 - 7.2-16.1 HB3 GLN 91 - HB3 ASP 47 far 0 89 0 - 7.5-51.0 HD2 ARG 69 - HB3 ASP 47 far 0 65 0 - 7.6-11.2 HB VAL 45 - HB3 ASP 47 far 0 99 0 - 7.6-8.3 HD3 ARG 69 - HB3 ASP 47 far 0 65 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 4445 from cnoeabs.peaks (0.99, 2.55, 39.53 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: QG1 VAL 45 + HB3 ASP 46 OK 100 100 100 100 3.3-4.2 166/634=97, 4417/3.0=91...(8) Violated in 0 structures by 0.00 A. Peak 4446 from cnoeabs.peaks (0.94, 2.67, 40.94 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HB2 ASP 47 OK 100 100 100 100 2.1-3.2 4907=97, 4389/1.8=84...(20) QG2 ILE 40 - HB2 ASP 47 far 0 97 0 - 7.7-8.9 QG2 VAL 41 - HB2 ASP 47 far 0 99 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4447 from cnoeabs.peaks (0.82, 2.67, 40.94 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 43 + HB2 ASP 47 OK 100 100 100 100 2.5-4.4 4914=99, 2.1/4907=89...(18) QG2 ILE 89 - HB2 ASP 47 far 0 90 0 - 9.6-38.7 QG1 VAL 41 - HB2 ASP 47 far 0 57 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 4448 from cnoeabs.peaks (0.94, 2.59, 40.94 ppm; 3.95 A): 1 out of 9 assignments used, quality = 0.99: QD2 LEU 43 + HB3 ASP 47 OK 99 99 100 100 2.2-2.6 4389=95, 4907/1.8=83...(19) HG12 ILE 68 - HB3 ASP 24 far 0 48 0 - 4.5-5.7 QG2 VAL 41 - HB3 ASP 24 far 0 60 0 - 5.9-7.2 QD1 LEU 64 - HB3 ASP 24 far 0 46 0 - 6.2-7.5 QG2 ILE 40 - HB3 ASP 47 far 0 99 0 - 7.4-8.1 QG2 ILE 40 - HB3 ASP 24 far 0 57 0 - 7.9-9.0 QG1 VAL 76 - HB3 ASP 24 far 0 48 0 - 7.9-11.9 QG2 VAL 76 - HB3 ASP 24 far 0 48 0 - 9.3-14.0 QG2 VAL 41 - HB3 ASP 47 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 4449 from cnoeabs.peaks (0.82, 2.59, 40.94 ppm; 4.17 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 43 + HB3 ASP 47 OK 100 100 100 100 2.8-3.8 2.1/4389=81, 4914/1.8=71...(17) QG2 ILE 68 - HB3 ASP 24 poor 12 47 25 - 4.2-5.1 QD2 LEU 64 - HB3 ASP 24 far 0 44 0 - 7.0-7.8 QD2 LEU 29 - HB3 ASP 24 far 0 44 0 - 7.0-7.9 QG1 VAL 41 - HB3 ASP 24 far 0 27 0 - 7.7-9.0 QG1 VAL 41 - HB3 ASP 47 far 0 57 0 - 9.1-9.8 QG2 ILE 89 - HB3 ASP 47 far 0 90 0 - 9.1-38.0 QD1 ILE 89 - HB3 ASP 47 far 0 92 0 - 9.6-39.8 Violated in 0 structures by 0.00 A. Peak 4450 from cnoeabs.peaks (0.93, 4.39, 56.46 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 43 + HA ASP 47 OK 95 95 100 100 4.4-4.8 4907/3.0=84, 4389/3.0=83...(18) QG2 ILE 40 - HA ASP 47 far 0 100 0 - 8.8-9.2 Violated in 0 structures by 0.00 A. Peak 4453 from cnoeabs.peaks (7.53, 4.03, 60.97 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: H LEU 51 + HA PHE 48 OK 100 100 100 100 3.1-3.4 4525=99, 660/4523=69...(10) H LEU 43 - HA PHE 48 far 0 99 0 - 5.7-6.3 H ARG 54 - HA PHE 48 far 0 100 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 4454 from cnoeabs.peaks (7.71, 4.39, 56.46 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.85: H GLU 50 + HA ASP 47 OK 85 85 100 100 3.3-3.5 4506=85, 654/4439=69...(8) Violated in 0 structures by 0.00 A. Peak 4455 from cnoeabs.peaks (3.69, 3.13, 38.68 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 45 + HB2 PHE 48 OK 100 100 100 100 2.5-2.7 4407=90, 4406/1.8=79...(13) HD3 PRO 44 - HB2 PHE 48 far 0 73 0 - 5.5-5.7 Violated in 0 structures by 0.00 A. Peak 4463 from cnoeabs.peaks (1.72, 4.03, 60.97 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: HB2 LEU 43 + HA PHE 48 OK 99 99 100 100 3.3-4.0 3.1/4468=85, 1.8/4465=82...(23) HG3 ARG 66 - HA PHE 48 far 0 81 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (1.59, 4.03, 60.97 ppm; 4.08 A): 1 out of 7 assignments used, quality = 0.97: HB3 LEU 51 + HA PHE 48 OK 97 97 100 100 2.4-2.9 4523=97, 1.8/4466=68...(15) HD2 LYS 39 - HA PHE 48 far 0 100 0 - 6.2-8.4 HG3 ARG 54 - HA PHE 48 far 0 96 0 - 6.7-10.5 HD3 LYS 39 - HA PHE 48 far 0 99 0 - 7.5-9.1 HD2 LYS 73 - HA PHE 48 far 0 78 0 - 8.7-14.4 HG LEU 62 - HA PHE 48 far 0 78 0 - 9.3-10.2 HD3 LYS 73 - HA PHE 48 far 0 78 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 4465 from cnoeabs.peaks (1.43, 4.03, 60.97 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 43 + HA PHE 48 OK 100 100 100 100 3.2-3.6 3.1/4468=84, 1.8/4463=78...(23) HG3 LYS 39 - HA PHE 48 far 0 60 0 - 6.4-7.0 Violated in 0 structures by 0.00 A. Peak 4466 from cnoeabs.peaks (1.32, 4.03, 60.97 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 51 + HA PHE 48 OK 100 100 100 100 2.7-3.3 1.8/4523=90, 4524=82...(11) HG2 ARG 54 - HA PHE 48 far 0 97 0 - 7.1-9.1 HB2 LEU 52 - HA PHE 48 far 0 85 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 4467 from cnoeabs.peaks (0.94, 4.03, 60.97 ppm; 4.91 A increased from 4.36 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + HA PHE 48 OK 100 100 100 100 4.6-4.8 2.1/4468=97, 4460/3.0=72...(25) QG2 ILE 40 + HA PHE 48 OK 91 94 100 96 4.7-5.1 5128/3.7=60...(6) QD2 LEU 62 - HA PHE 48 far 0 94 0 - 7.7-8.9 QG2 VAL 41 - HA PHE 48 far 0 99 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 4468 from cnoeabs.peaks (0.83, 4.03, 60.97 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + HA PHE 48 OK 100 100 100 100 2.6-3.2 5295=100, 4370/3.7=41...(24) QG2 ILE 68 - HA PHE 48 far 0 76 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 4469 from cnoeabs.peaks (0.62, 4.03, 60.97 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 51 + HA PHE 48 OK 100 100 100 100 4.5-4.8 4522=99, 2.1/4470=90...(12) Violated in 0 structures by 0.00 A. Peak 4470 from cnoeabs.peaks (0.19, 4.03, 60.97 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HA PHE 48 OK 100 100 100 100 2.6-3.1 4521=92, 3.1/4523=74...(14) Violated in 0 structures by 0.00 A. Peak 4471 from cnoeabs.peaks (1.72, 3.13, 38.68 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: HB2 LEU 43 + HB2 PHE 48 OK 99 99 100 100 4.4-5.1 4475/1.8=91, 1.8/4472=81...(20) HG3 ARG 66 - HB2 PHE 48 far 0 81 0 - 7.3-10.0 HG2 ARG 70 - HB2 PHE 48 far 0 99 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 4472 from cnoeabs.peaks (1.43, 3.13, 38.68 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 43 + HB2 PHE 48 OK 100 100 100 100 4.3-4.5 4476/1.8=84, 1.8/4471=81...(21) HG3 LYS 39 - HB2 PHE 48 far 0 60 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (1.05, 3.13, 38.68 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.83: QG2 VAL 45 + HB2 PHE 48 OK 83 83 100 100 3.9-4.1 3.2/4455=99, ~4406=85...(13) QD1 ILE 40 - HB2 PHE 48 far 0 73 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 4475 from cnoeabs.peaks (1.72, 2.88, 38.68 ppm; 4.64 A): 1 out of 7 assignments used, quality = 1.00: HB2 LEU 43 + HB3 PHE 48 OK 100 100 100 100 2.8-3.4 1.8/4476=75, 4382=72...(19) HB2 LEU 43 - HB2 PHE 35 far 0 55 0 - 7.4-7.9 HG3 ARG 66 - HB3 PHE 48 far 0 68 0 - 7.8-10.3 HB2 LEU 43 - HB3 PHE 35 far 0 60 0 - 8.5-9.0 HB3 ARG 17 - HB2 PHE 35 far 0 37 0 - 8.6-19.3 HB3 ARG 17 - HB3 PHE 35 far 0 41 0 - 8.8-19.5 HG2 ARG 70 - HB3 PHE 48 far 0 94 0 - 8.9-13.0 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (1.42, 2.88, 38.68 ppm; 4.79 A): 1 out of 11 assignments used, quality = 0.93: HB3 LEU 43 + HB3 PHE 48 OK 93 93 100 100 3.0-3.2 1.8/4475=83, 4472/1.8=66...(20) HB3 ARG 69 - HB3 PHE 48 far 6 60 10 - 4.6-6.9 HG3 LYS 39 - HB2 PHE 35 far 4 41 10 - 4.6-5.4 HG3 LYS 39 - HB3 PHE 35 far 0 45 0 - 5.6-6.7 HG3 LYS 39 - HB3 PHE 48 far 0 85 0 - 6.8-7.4 HG12 ILE 33 - HB2 PHE 35 far 0 38 0 - 8.2-8.3 HG12 ILE 33 - HB3 PHE 35 far 0 42 0 - 8.5-8.5 HB3 LEU 43 - HB2 PHE 35 far 0 47 0 - 8.5-8.9 HG2 LYS 13 - HB3 PHE 35 far 0 61 0 - 8.5-29.7 HG2 LYS 13 - HB2 PHE 35 far 0 55 0 - 8.6-30.3 HB3 LEU 43 - HB3 PHE 35 far 0 52 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4477 from cnoeabs.peaks (1.02, 2.88, 38.68 ppm; 6.34 A): 6 out of 8 assignments used, quality = 0.96: QD1 ILE 40 + HB3 PHE 35 OK 58 58 100 100 6.0-6.3 4318/2.6=98, 4305/1.8=96...(11) QD1 ILE 40 + HB2 PHE 35 OK 53 53 100 100 4.9-5.3 4318/2.6=98, ~4562=90...(11) HG3 PRO 34 + HB3 PHE 35 OK 42 42 100 100 3.9-5.6 ~4242=82, ~4649=80...(12) QD1 LEU 57 + HB3 PHE 35 OK 32 33 100 99 5.9-6.3 ~4565=80, ~5742=73...(5) HG3 PRO 34 + HB2 PHE 35 OK 29 38 75 100 5.2-7.0 ~4242=82, ~4649=80...(12) QD1 LEU 57 + HB2 PHE 35 OK 28 29 95 99 6.4-6.7 ~4565=80, ~5742=73...(5) QD1 ILE 40 - HB3 PHE 48 far 0 99 0 - 6.8-7.0 QD1 LEU 57 - HB3 PHE 48 far 0 65 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (0.84, 2.88, 38.68 ppm; 4.92 A): 1 out of 6 assignments used, quality = 0.96: QD1 LEU 43 + HB3 PHE 48 OK 96 96 100 100 3.7-4.0 4913=89, 5295/3.0=82...(19) QD1 LEU 43 - HB2 PHE 35 poor 17 49 100 35 4.8-5.1 4520/4516=28...(3) QD1 LEU 43 - HB3 PHE 35 far 0 54 0 - 5.3-5.8 QD2 LEU 64 - HB2 PHE 35 far 0 55 0 - 8.0-8.8 QD2 LEU 64 - HB3 PHE 35 far 0 60 0 - 8.6-9.3 QD2 LEU 29 - HB2 PHE 35 far 0 55 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4483 from cnoeabs.peaks (1.47, 4.14, 55.66 ppm; 4.31 A increased from 3.83 A): 1 out of 1 assignment used, quality = 0.99: HB3 LEU 52 + HA ASN 49 OK 99 100 100 99 3.6-4.1 3.1/4486=70, 3.0/4485=65...(7) Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (1.33, 4.14, 55.66 ppm; 4.12 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 52 - HA ASN 49 far 0 100 0 - 5.1-5.5 HB2 LEU 51 - HA ASN 49 far 0 97 0 - 5.9-6.4 HG2 ARG 54 - HA ASN 49 far 0 68 0 - 7.9-9.4 Violated in 20 structures by 0.98 A. Peak 4485 from cnoeabs.peaks (1.20, 4.14, 55.66 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 52 + HA ASN 49 OK 100 100 100 100 3.5-3.6 2.1/4486=81, 4545=60...(8) QG2 VAL 65 - HA ASN 49 far 0 89 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 4486 from cnoeabs.peaks (0.45, 4.14, 55.66 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 52 + HA ASN 49 OK 98 99 100 99 2.6-3.0 4546=84, 2.1/4485=58...(8) Violated in 0 structures by 0.00 A. Peak 4488 from cnoeabs.peaks (4.49, 2.90, 37.13 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 46 + HB2 ASN 49 OK 99 100 100 100 3.0-3.0 4489/647=65, 5360/1.8=63...(9) Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (7.05, 4.14, 55.66 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.83: QD PHE 48 + HA ASN 49 OK 83 83 100 100 3.4-3.7 2.2/4493=83, 4603/3.0=78...(9) Violated in 0 structures by 0.00 A. Peak 4493 from cnoeabs.peaks (7.18, 4.14, 55.66 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.59: QE PHE 48 + HA ASN 49 OK 59 60 100 99 4.2-4.5 2.2/4492=70, ~180=57...(7) Violated in 0 structures by 0.00 A. Peak 4494 from cnoeabs.peaks (7.42, 4.14, 55.66 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: H LEU 52 + HA ASN 49 OK 100 100 100 100 3.9-4.0 4542=99, 668/4485=60...(7) Violated in 0 structures by 0.00 A. Peak 4495 from cnoeabs.peaks (7.54, 4.14, 55.66 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: H LEU 51 + HA ASN 49 OK 99 100 100 99 4.1-4.6 923/3.6=83, 193/4542=73...(5) H ARG 54 - HA ASN 49 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (1.39, 3.96, 59.12 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 53 + HA GLU 50 OK 100 100 100 100 2.7-2.8 4962=98, 673/4549=55...(9) Violated in 0 structures by 0.00 A. Peak 4503 from cnoeabs.peaks (0.71, 3.96, 59.12 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.97: QD1 ILE 33 + HA GLN 61 OK 97 97 100 100 3.3-3.9 4222/3.0=66, 4224/4.0=48...(22) QD2 LEU 57 - HA GLN 61 far 0 96 0 - 4.7-5.2 QD2 LEU 57 - HA GLU 50 far 0 100 0 - 9.8-10.7 Violated in 1 structures by 0.00 A. Peak 4504 from cnoeabs.peaks (0.85, 3.96, 59.12 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 64 + HA GLN 61 OK 95 95 100 100 3.4-4.0 3.1/4695=73, 2.1/4505=68...(15) QD1 LEU 62 + HA GLN 61 OK 56 70 85 94 5.1-6.5 723/3.6=54, 2600/4.7=49...(6) QD1 LEU 43 - HA GLU 50 far 0 78 0 - 6.8-7.5 QD1 LEU 62 - HA GLU 50 far 0 76 0 - 7.6-10.2 Violated in 0 structures by 0.00 A. Peak 4505 from cnoeabs.peaks (0.94, 3.96, 59.12 ppm; 5.29 A): 1 out of 7 assignments used, quality = 0.89: QD1 LEU 64 + HA GLN 61 OK 89 89 100 100 4.8-5.2 3.1/4695=81, 3.1/4696=76...(10) QD2 LEU 62 - HA GLN 61 far 0 90 0 - 6.9-7.0 QD2 LEU 62 - HA GLU 50 far 0 96 0 - 7.0-8.5 QD2 LEU 43 - HA GLU 50 far 0 100 0 - 8.4-8.7 QG2 ILE 40 - HA GLN 61 far 0 90 0 - 8.4-9.2 HG12 ILE 68 - HA GLN 61 far 0 74 0 - 8.9-9.7 QG2 ILE 40 - HA GLU 50 far 0 96 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (7.22, 3.96, 59.12 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: H ALA 53 + HA GLU 50 OK 100 100 100 100 3.1-3.4 4549=97, 673/4962=83...(10) Violated in 0 structures by 0.00 A. Peak 4510 from cnoeabs.peaks (4.40, 2.04, 29.07 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.98: HA ASP 47 + HB2 GLU 50 OK 98 98 100 100 2.6-3.5 4439=98, 4506/653=53...(8) HA ASP 47 - HB3 GLU 50 far 0 98 0 - 4.2-4.9 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (4.38, 2.37, 36.01 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 47 + HG2 GLU 50 OK 99 100 100 99 4.0-4.8 4439/3.0=88, 4506/655=64...(7) Violated in 1 structures by 0.00 A. Peak 4512 from cnoeabs.peaks (4.40, 2.21, 36.01 ppm; 5.82 A): 1 out of 1 assignment used, quality = 0.93: HA ASP 47 + HG3 GLU 50 OK 93 93 100 100 2.9-4.9 4510/3.0=97, 4506/656=87...(6) Violated in 0 structures by 0.00 A. Peak 4513 from cnoeabs.peaks (3.02, 3.89, 57.93 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 54 + HA LEU 51 OK 98 99 100 100 2.8-4.4 3.6/5220=59, 4571=58...(15) HD3 ARG 54 + HA LEU 51 OK 83 98 85 100 2.5-5.4 3.6/5220=59, 3.6/5219=56...(15) Violated in 0 structures by 0.00 A. Peak 4515 from cnoeabs.peaks (1.78, 0.19, 24.73 ppm; 5.33 A increased from 4.49 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + QD2 LEU 51 OK 100 100 100 100 3.7-5.1 5205=100, 1.8/5204=89...(12) HB2 ARG 54 + QD2 LEU 51 OK 90 90 100 100 5.2-5.5 4517/2.1=94, 4568/4.0=65...(9) HG2 PRO 34 - QD2 LEU 51 far 8 78 10 - 5.2-7.1 HB2 ARG 69 - QD2 LEU 51 far 0 81 0 - 5.8-7.3 HB2 PRO 34 - QD2 LEU 51 far 0 100 0 - 6.5-8.1 HB ILE 33 - QD2 LEU 51 far 0 95 0 - 6.9-7.1 HB2 LEU 57 - QD2 LEU 51 far 0 92 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 4516 from cnoeabs.peaks (2.87, 0.19, 24.73 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: HB3 PHE 48 + QD2 LEU 51 OK 99 99 100 100 4.0-4.6 2.5/4527=67, 3.0/4470=61...(15) HB2 PHE 35 + QD2 LEU 51 OK 81 81 100 100 3.4-3.8 2.6/4568=76, 1.8/4865=67...(15) HB2 ASN 49 - QD2 LEU 51 far 0 73 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 4517 from cnoeabs.peaks (1.77, 0.62, 23.89 ppm; 4.21 A): 1 out of 8 assignments used, quality = 0.97: HB2 ARG 54 + QD1 LEU 51 OK 97 98 100 99 2.5-3.2 4568/2245=55, 5144=53...(10) HG2 PRO 34 - QD1 LEU 51 far 9 92 10 - 4.3-6.3 HB3 LYS 39 - QD1 LEU 51 far 0 99 0 - 4.7-6.1 HB2 PRO 34 - QD1 LEU 51 far 0 100 0 - 5.4-6.8 HB2 LEU 57 - QD1 LEU 51 far 0 99 0 - 7.1-8.3 HB ILE 33 - QD1 LEU 51 far 0 99 0 - 7.3-8.0 HB2 ARG 69 - QD1 LEU 51 far 0 63 0 - 8.4-9.9 HB2 LEU 62 - QD1 LEU 51 far 0 63 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 4518 from cnoeabs.peaks (2.88, 0.62, 23.89 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.84: HB2 PHE 35 + QD1 LEU 51 OK 63 63 100 100 3.4-3.7 2.6/4534=66, 1.8/5353=54...(14) HB3 PHE 35 + QD1 LEU 51 OK 57 57 100 100 3.0-3.1 2.6/4534=66, 1.8/5574=54...(16) HB3 PHE 48 - QD1 LEU 51 far 0 100 0 - 6.2-6.6 HB2 ASN 49 - QD1 LEU 51 far 0 89 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (3.02, 0.62, 23.89 ppm; 4.57 A increased from 3.85 A): 2 out of 2 assignments used, quality = 0.99: HD2 ARG 54 + QD1 LEU 51 OK 91 93 100 98 2.9-4.6 3.6/4517=62, 4573=41...(11) HD3 ARG 54 + QD1 LEU 51 OK 86 92 95 98 2.4-5.3 3.6/4517=62, 4573=39...(11) Violated in 0 structures by 0.00 A. Peak 4520 from cnoeabs.peaks (0.83, 0.19, 24.73 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 43 + QD2 LEU 51 OK 99 100 100 100 1.8-2.5 4917=95, 2.1/4916=42...(16) QG2 ILE 68 - QD2 LEU 51 far 0 68 0 - 5.7-6.5 QD2 LEU 64 - QD2 LEU 51 far 0 97 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 4521 from cnoeabs.peaks (4.02, 0.19, 24.73 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.99: HA PHE 48 + QD2 LEU 51 OK 99 99 100 100 2.6-3.1 4470=99, 4523/3.1=76...(14) HD2 PRO 44 - QD2 LEU 51 far 0 92 0 - 7.3-8.0 HA ARG 54 - QD2 LEU 51 far 0 92 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (4.02, 0.62, 23.89 ppm; 4.79 A increased from 4.51 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + QD1 LEU 51 OK 100 100 100 100 4.5-4.8 4470/2.1=80, 4523/3.1=79...(12) HA ARG 54 - QD1 LEU 51 far 0 90 0 - 5.2-5.7 HD2 PRO 44 - QD1 LEU 51 far 0 93 0 - 8.0-8.8 Violated in 1 structures by 0.00 A. Peak 4523 from cnoeabs.peaks (4.03, 1.60, 41.26 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + HB3 LEU 51 OK 100 100 100 100 2.4-2.9 4464=80, 4466/1.8=60...(15) HA ARG 54 - HB3 LEU 51 far 0 83 0 - 7.5-8.0 HD2 PRO 44 - HB3 LEU 51 far 0 97 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 4524 from cnoeabs.peaks (4.01, 1.32, 41.26 ppm; 4.43 A): 1 out of 5 assignments used, quality = 0.87: HA PHE 48 + HB2 LEU 51 OK 87 87 100 100 2.7-3.3 4466=85, 4464/1.8=73...(11) HA ARG 54 - HB2 LEU 51 far 0 100 0 - 7.2-7.8 HA PHE 48 - HB2 LEU 52 far 0 47 0 - 7.5-7.8 HA ARG 54 - HB2 LEU 52 far 0 60 0 - 7.9-8.0 HD2 PRO 44 - HB2 LEU 51 far 0 65 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 4527 from cnoeabs.peaks (7.06, 0.19, 24.73 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QD2 LEU 51 OK 100 100 100 100 2.5-2.9 4625=98, 4370/4917=61...(15) Violated in 0 structures by 0.00 A. Peak 4528 from cnoeabs.peaks (6.95, 0.19, 24.73 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: HZ PHE 35 + QD2 LEU 51 OK 100 100 100 100 3.2-3.8 2.2/4584=76, 3.8/4568=56...(17) QE PHE 35 + QD2 LEU 51 OK 99 99 100 100 2.7-3.1 4584=96, 2.2/4568=78...(19) HZ PHE 48 - QD2 LEU 51 far 0 100 0 - 5.4-5.9 HD22 ASN 42 - QD2 LEU 51 far 0 95 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 4529 from cnoeabs.peaks (6.81, 0.19, 24.73 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 55 + QD2 LEU 51 OK 99 99 100 100 4.3-4.4 4648=100, 4647/2.1=99...(17) HE22 GLN 61 - QD2 LEU 51 far 0 78 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 4530 from cnoeabs.peaks (6.66, 0.19, 24.73 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD2 LEU 51 OK 100 100 100 100 3.0-3.3 4568=93, 4534/2.1=81...(25) Violated in 0 structures by 0.00 A. Peak 4531 from cnoeabs.peaks (7.32, 0.62, 23.89 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.87: QD TYR 55 + QD1 LEU 51 OK 87 87 100 100 2.1-3.1 2.2/4533=88, 4637=62...(25) Violated in 0 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (6.94, 0.62, 23.89 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 51 OK 100 100 100 100 3.3-4.1 4580=87, 4584/2.1=79...(21) HZ PHE 35 + QD1 LEU 51 OK 79 99 80 100 4.3-5.2 2.2/4580=64, 3.8/4534=55...(16) HZ PHE 48 - QD1 LEU 51 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 4533 from cnoeabs.peaks (6.81, 0.62, 23.89 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 55 + QD1 LEU 51 OK 99 99 100 100 1.9-2.1 5727=86, 2.2/4531=46...(18) HE22 GLN 61 - QD1 LEU 51 far 0 78 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 4534 from cnoeabs.peaks (6.65, 0.62, 23.89 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD1 LEU 51 OK 100 100 100 100 2.7-3.3 4568/2.1=75, 4564/2.1=66...(22) Violated in 0 structures by 0.00 A. Peak 4536 from cnoeabs.peaks (6.94, 3.81, 57.23 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + HA LEU 52 OK 100 100 100 100 3.8-4.4 4570=92, 4581/2287=67...(8) HZ PHE 35 + HA LEU 52 OK 90 100 95 95 4.1-4.8 2.2/4570=69...(6) HZ PHE 48 - HA LEU 52 far 0 100 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. Peak 4537 from cnoeabs.peaks (7.06, 1.20, 26.33 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 48 + HG LEU 52 OK 99 99 100 100 4.2-4.5 5361/2.1=92, 4959/2.1=91...(10) Violated in 0 structures by 0.00 A. Peak 4538 from cnoeabs.peaks (7.15, 0.44, 24.59 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + QD1 LEU 52 OK 100 100 100 100 2.9-3.3 4614=75, 2.2/4619=72...(18) Violated in 0 structures by 0.00 A. Peak 4539 from cnoeabs.peaks (6.94, 0.44, 24.59 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QD1 LEU 52 OK 100 100 100 100 3.0-3.4 4619=100, 2.2/4538=64...(12) HZ PHE 35 - QD1 LEU 52 far 0 100 0 - 5.6-6.0 QE PHE 35 - QD1 LEU 52 far 0 100 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. Peak 4540 from cnoeabs.peaks (7.14, 0.51, 22.90 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.95: QE PHE 48 + QD2 LEU 52 OK 95 95 100 100 3.1-3.5 4538/2.1=69, 4613=65...(15) Violated in 0 structures by 0.00 A. Peak 4541 from cnoeabs.peaks (6.96, 0.51, 22.90 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QD2 LEU 52 OK 96 99 100 98 3.1-3.5 4595/2.1=57, 2.2/4540=49...(10) HZ PHE 35 + QD2 LEU 52 OK 92 97 100 94 2.9-3.4 2.2/4581=48, 4594=45...(11) QE PHE 35 - QD2 LEU 52 far 0 97 0 - 3.7-4.0 Violated in 0 structures by 0.00 A. Peak 4543 from cnoeabs.peaks (4.13, 1.33, 40.92 ppm; 4.73 A increased from 4.45 A): 1 out of 4 assignments used, quality = 0.60: HA ALA 53 + HB2 LEU 52 OK 60 60 100 100 4.3-4.6 3.0/202=78, ~203=59...(11) HA ASN 49 - HB2 LEU 52 far 0 100 0 - 5.1-5.5 HA ASN 49 - HB2 LEU 51 far 0 60 0 - 5.9-6.4 HA ALA 53 - HB2 LEU 51 far 0 30 0 - 8.3-8.5 Violated in 0 structures by 0.00 A. Peak 4544 from cnoeabs.peaks (4.14, 1.47, 40.92 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 49 + HB3 LEU 52 OK 100 100 100 100 3.6-4.1 4483=95, 4486/3.1=68...(7) HA ALA 53 + HB3 LEU 52 OK 73 73 100 100 4.3-4.3 3.0/203=74, 4543/1.8=64...(12) Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (4.14, 1.20, 26.33 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 49 + HG LEU 52 OK 100 100 100 100 3.5-3.6 4485=100, 4486/2.1=96...(8) HA ALA 53 - HG LEU 52 far 0 71 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 4546 from cnoeabs.peaks (4.14, 0.44, 24.59 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 49 + QD1 LEU 52 OK 100 100 100 100 2.6-3.0 4486=99, 4485/2.1=64...(8) HA ALA 53 - QD1 LEU 52 far 0 78 0 - 5.7-5.8 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (3.92, 0.51, 22.90 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 62 + QD2 LEU 52 OK 100 100 100 100 2.5-3.7 2593/5237=65...(13) HA LEU 51 - QD2 LEU 52 far 0 65 0 - 5.4-5.8 HA THR 37 - QD2 LEU 52 far 0 90 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 4548 from cnoeabs.peaks (4.13, 0.51, 22.90 ppm; 5.14 A increased from 4.57 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 49 + QD2 LEU 52 OK 100 100 100 100 4.9-4.9 4486/2.1=98, 4485/2.1=94...(7) HA ALA 53 - QD2 LEU 52 far 0 63 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 4550 from cnoeabs.peaks (0.89, 3.81, 57.23 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 51 + HA LEU 52 OK 99 100 100 100 3.4-4.0 197/3.0=69, 4655/4631=48...(13) QD1 LEU 62 + HA LEU 52 OK 78 93 85 98 3.8-5.5 2.1/5957=66, ~5005=48...(7) Violated in 0 structures by 0.00 A. Peak 4551 from cnoeabs.peaks (0.99, 3.81, 57.23 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 57 + HA LEU 52 OK 98 99 100 100 2.2-3.1 4607=72, 4554/2287=65...(12) Violated in 0 structures by 0.00 A. Peak 4552 from cnoeabs.peaks (0.97, 1.20, 26.33 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.60: QD1 LEU 57 + HG LEU 52 OK 60 60 100 100 4.3-4.6 4554/2.1=89, ~5751=48...(9) QD2 LEU 43 - HG LEU 52 far 0 78 0 - 8.3-8.8 QG1 VAL 45 - HG LEU 52 far 0 85 0 - 9.0-9.2 Violated in 1 structures by 0.00 A. Peak 4553 from cnoeabs.peaks (0.93, 0.44, 24.59 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 62 + QD1 LEU 52 OK 100 100 100 100 1.8-2.9 4680=100, 5237/2.1=77...(16) QG2 ILE 40 - QD1 LEU 52 far 0 100 0 - 5.0-5.4 QD2 LEU 43 - QD1 LEU 52 far 0 92 0 - 8.3-8.7 QG2 VAL 41 - QD1 LEU 52 far 0 100 0 - 8.3-8.8 QD1 LEU 64 - QD1 LEU 52 far 0 71 0 - 8.6-9.5 HG12 ILE 68 - QD1 LEU 52 far 0 98 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4554 from cnoeabs.peaks (0.98, 0.51, 22.90 ppm; 3.35 A): 1 out of 3 assignments used, quality = 0.86: QD1 LEU 57 + QD2 LEU 52 OK 86 87 100 99 2.1-2.6 4613=58, 4551/2287=38...(15) QD1 LEU 64 - QD2 LEU 52 far 0 76 0 - 7.4-8.2 QG1 VAL 45 - QD2 LEU 52 far 0 99 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 4555 from cnoeabs.peaks (1.96, 0.51, 22.90 ppm; 5.06 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 57 + QD2 LEU 52 OK 100 100 100 100 4.3-4.9 2.1/4554=99, 2.1/5751=75...(13) HB3 ARG 66 + QD2 LEU 52 OK 65 87 80 94 5.1-5.9 3.0/5695=70, ~4956=46...(6) HB2 LEU 64 - QD2 LEU 52 far 0 96 0 - 6.2-7.2 HB2 MET 31 - QD2 LEU 52 far 0 73 0 - 8.1-8.9 HG LEU 43 - QD2 LEU 52 far 0 60 0 - 8.1-9.1 HB3 ARG 70 - QD2 LEU 52 far 0 100 0 - 8.7-11.2 HB2 ARG 70 - QD2 LEU 52 far 0 100 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 4560 from cnoeabs.peaks (7.69, 4.16, 52.94 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: H TYR 55 + HA ALA 53 OK 100 100 100 100 4.0-4.3 4582=99, 210/3.6=88...(4) Violated in 0 structures by 0.00 A. Peak 4561 from cnoeabs.peaks (7.32, 1.76, 30.94 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.84: QD TYR 55 + HB2 ARG 54 OK 76 76 100 100 2.4-2.9 4563/1.8=71, ~4644=66...(21) QD TYR 55 + HB2 PRO 34 OK 32 32 100 100 2.6-3.6 4666/1.8=60, ~4667=56...(22) QD TYR 55 - HB3 ARG 17 far 0 31 0 - 9.8-20.4 Violated in 0 structures by 0.00 A. Peak 4562 from cnoeabs.peaks (6.80, 1.76, 30.94 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.94: QE TYR 55 + HB2 ARG 54 OK 90 90 100 100 3.1-3.6 4644/1.8=87, 4690=73...(19) QE TYR 55 + HB2 PRO 34 OK 41 41 100 100 2.2-4.5 4667/1.8=74, 4664/2.3=69...(15) QE TYR 55 - HB3 ARG 17 far 0 40 0 - 9.7-19.9 Violated in 0 structures by 0.00 A. Peak 4563 from cnoeabs.peaks (7.32, 1.55, 30.94 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.76: QD TYR 55 + HB3 ARG 54 OK 76 76 100 100 2.8-3.3 2.2/4644=95, 4634=73...(23) Violated in 0 structures by 0.00 A. Peak 4564 from cnoeabs.peaks (7.25, 3.03, 43.51 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: HE ARG 54 + HD2 ARG 54 OK 93 93 100 100 2.3-2.9 2.9=100 HE ARG 54 + HD3 ARG 54 OK 93 93 100 100 2.3-2.9 2.9=100 H ASP 47 - HD2 ARG 54 far 0 89 0 - 8.8-11.7 H ASP 47 - HD3 ARG 54 far 0 89 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 4565 from cnoeabs.peaks (6.81, 3.03, 43.51 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.97: QE TYR 55 + HD3 ARG 54 OK 94 99 95 100 2.9-5.0 4644/3.6=62, 4640=52...(15) QE TYR 55 + HD2 ARG 54 OK 55 99 55 100 2.9-5.0 4644/3.6=62, 4679/1.8=46...(15) Violated in 0 structures by 0.00 A. Peak 4566 from cnoeabs.peaks (6.80, 1.58, 27.15 ppm; 6.06 A): 1 out of 6 assignments used, quality = 0.97: QE TYR 55 + HG3 ARG 54 OK 97 97 100 100 4.8-5.4 4644/3.0=97, 4969/1.8=96...(18) QE TYR 81 - HG2 ARG 84 far 10 66 15 - 4.6-12.8 QE TYR 81 - HG3 ARG 84 far 7 66 10 - 3.4-13.4 QE TYR 81 - HG LEU 86 far 3 56 5 - 6.2-17.9 HE22 GLN 61 - HG LEU 62 far 0 53 0 - 6.9-8.4 QE TYR 55 - HG LEU 62 far 0 84 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 4568 from cnoeabs.peaks (3.89, 1.76, 30.94 ppm; 4.40 A): 1 out of 7 assignments used, quality = 0.99: HA LEU 51 + HB2 ARG 54 OK 99 99 100 100 2.1-2.6 5219=99, 5220/1.8=88...(13) HA ILE 33 - HB2 PRO 34 far 0 51 0 - 4.9-5.5 HD2 PRO 36 - HB3 ARG 17 far 0 41 0 - 5.7-17.4 HD2 PRO 36 - HB2 PRO 34 far 0 42 0 - 6.7-8.0 HA ILE 33 - HB3 ARG 17 far 0 49 0 - 6.7-18.3 HA LEU 51 - HB2 PRO 34 far 0 50 0 - 8.5-10.1 HA ILE 33 - HB2 ARG 54 far 0 100 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4569 from cnoeabs.peaks (3.89, 1.55, 30.94 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 51 + HB3 ARG 54 OK 100 100 100 100 3.5-4.2 5220=96, 5219/1.8=87...(12) Violated in 0 structures by 0.00 A. Peak 4570 from cnoeabs.peaks (3.90, 1.31, 27.15 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 51 + HG2 ARG 54 OK 99 99 100 100 2.7-4.1 5220/3.0=79, 5219/3.0=76...(13) Violated in 0 structures by 0.00 A. Peak 4571 from cnoeabs.peaks (3.90, 3.03, 43.51 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.98: HA LEU 51 + HD2 ARG 54 OK 94 100 95 99 2.8-4.4 5220/3.6=55, 5219/3.6=52...(15) HA LEU 51 + HD3 ARG 54 OK 65 100 65 99 2.5-5.4 5220/3.6=55, 5219/3.6=52...(15) HD2 PRO 36 - HD3 ARG 54 far 0 73 0 - 9.7-12.5 Violated in 1 structures by 0.01 A. Peak 4572 from cnoeabs.peaks (3.89, 1.58, 27.15 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.97: HA LEU 51 + HG3 ARG 54 OK 94 100 95 99 2.1-5.3 5220/3.0=64, 5219/3.0=61...(12) HA LEU 62 + HG LEU 62 OK 49 49 100 100 2.1-2.3 4.3=89, 3.0/2585=50...(24) HA ILE 33 - HG LEU 62 far 0 88 0 - 8.3-9.0 HA LEU 51 - HG LEU 62 far 0 90 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 4573 from cnoeabs.peaks (0.61, 3.03, 43.51 ppm; 4.54 A increased from 4.04 A): 2 out of 2 assignments used, quality = 0.97: QD1 LEU 51 + HD2 ARG 54 OK 85 87 100 98 2.9-4.6 4517/3.6=53, 5145/3.6=48...(11) QD1 LEU 51 + HD3 ARG 54 OK 81 87 95 98 2.4-5.3 4517/3.6=53, 5145/3.6=48...(11) Violated in 0 structures by 0.00 A. Peak 4574 from cnoeabs.peaks (7.69, 3.70, 50.06 ppm; 5.01 A increased from 4.72 A): 2 out of 2 assignments used, quality = 1.00: H TYR 55 + HD3 PRO 56 OK 100 100 100 100 3.9-4.9 4.8=100 H TYR 55 + HD2 PRO 56 OK 100 100 100 100 4.4-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 4575 from cnoeabs.peaks (7.34, 3.70, 50.06 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 55 + HD2 PRO 56 OK 100 100 100 100 3.0-4.2 4630=100, 2.5/4595=61...(8) QD TYR 55 + HD3 PRO 56 OK 55 100 55 100 4.2-5.1 4630/1.8=85, 4.6=68...(10) Violated in 0 structures by 0.00 A. Peak 4576 from cnoeabs.peaks (3.69, 4.90, 55.12 ppm; 3.01 A): 2 out of 2 assignments used, quality = 0.99: HD2 PRO 56 + HA TYR 55 OK 92 99 100 93 1.9-2.3 3.8=51, 4630/4555=34...(10) HD3 PRO 56 + HA TYR 55 OK 92 99 100 93 2.3-2.6 3.8=51, 1.8/4977=31...(11) Violated in 0 structures by 0.00 A. Peak 4578 from cnoeabs.peaks (3.70, 2.80, 40.22 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.94: HD2 PRO 56 + HB2 TYR 55 OK 94 99 95 100 3.7-4.7 4595=99, 4630/2.5=80...(14) HD3 PRO 56 - HB2 TYR 55 far 0 99 0 - 4.8-5.1 Violated in 1 structures by 0.02 A. Peak 4579 from cnoeabs.peaks (3.71, 2.94, 40.22 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.99: HD2 PRO 56 + HB3 TYR 55 OK 94 95 100 100 2.2-3.8 4578/1.8=71, 4630/2.5=71...(13) HD3 PRO 56 + HB3 TYR 55 OK 90 95 95 100 3.7-4.8 4.8=66, ~4595=52...(15) Violated in 0 structures by 0.00 A. Peak 4584 from cnoeabs.peaks (1.95, 2.80, 40.22 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: HG LEU 57 + HB2 TYR 55 OK 100 100 100 100 2.5-3.3 2.1/4587=73, 2.1/4586=69...(16) Violated in 0 structures by 0.00 A. Peak 4585 from cnoeabs.peaks (1.77, 2.80, 40.22 ppm; 5.00 A): 4 out of 9 assignments used, quality = 1.00: HB2 ARG 54 + HB2 TYR 55 OK 100 100 100 100 4.4-4.8 212/684=82, ~4634=70...(11) HG2 PRO 34 + HB2 TYR 55 OK 98 98 100 100 2.9-3.9 4859=90, 4863/1.8=78...(18) HB2 LEU 57 + HB2 TYR 55 OK 95 100 95 100 4.9-5.6 3.0/4584=75, 3.1/4587=72...(12) HB2 PRO 34 + HB2 TYR 55 OK 82 97 85 100 4.5-5.6 2.3/4859=70, ~4666=61...(14) HB2 LEU 62 - HB2 TYR 55 far 0 78 0 - 8.1-9.6 HB ILE 33 - HB2 TYR 55 far 0 100 0 - 8.2-8.8 HB2 LYS 32 - HB2 TYR 55 far 0 100 0 - 9.3-10.6 HB2 LYS 13 - HB2 TYR 55 far 0 81 0 - 9.5-29.0 HB3 LYS 32 - HB2 TYR 55 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 4586 from cnoeabs.peaks (1.00, 2.80, 40.22 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 57 + HB2 TYR 55 OK 98 98 100 100 2.8-3.3 5149/1.8=84, 2.1/4584=80...(16) QD1 ILE 40 - HB2 TYR 55 far 0 68 0 - 7.6-8.2 Violated in 0 structures by 0.00 A. Peak 4587 from cnoeabs.peaks (0.71, 2.80, 40.22 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + HB2 TYR 55 OK 100 100 100 100 2.9-3.8 5152=86, 4604/1.8=78...(15) QD1 ILE 33 - HB2 TYR 55 far 0 100 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 4588 from cnoeabs.peaks (1.92, 2.94, 40.22 ppm; 5.15 A): 0 out of 1 assignment used, quality = 0.00: HG12 ILE 40 - HB3 TYR 55 far 0 87 0 - 9.6-10.9 Violated in 20 structures by 5.62 A. Peak 4589 from cnoeabs.peaks (1.76, 2.94, 40.22 ppm; 4.69 A): 2 out of 9 assignments used, quality = 1.00: HG2 PRO 34 + HB3 TYR 55 OK 100 100 100 100 2.3-3.5 4863=81, 4246/2.5=71...(18) HB2 PRO 34 + HB3 TYR 55 OK 89 89 100 100 3.9-4.6 2.3/4863=66, ~4666=54...(15) HB2 LEU 57 - HB3 TYR 55 far 0 100 0 - 5.5-6.2 HB2 ARG 54 - HB3 TYR 55 far 0 100 0 - 5.5-6.0 HB2 LYS 13 - HB3 TYR 55 far 0 65 0 - 8.3-27.7 HB ILE 33 - HB3 TYR 55 far 0 99 0 - 8.3-9.0 HB2 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.7-9.2 HB3 LYS 32 - HB3 TYR 55 far 0 97 0 - 8.8-9.6 HB2 LEU 62 - HB3 TYR 55 far 0 90 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 4590 from cnoeabs.peaks (0.70, 2.94, 40.22 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.92: QD2 LEU 57 + HB3 TYR 55 OK 92 92 100 100 3.0-3.4 4604=86, 2.1/5149=74...(18) QD1 ILE 33 - HB3 TYR 55 far 0 97 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 4593 from cnoeabs.peaks (1.76, 7.34, 134.10 ppm; 5.16 A): 3 out of 10 assignments used, quality = 1.00: HG2 PRO 34 + QD TYR 55 OK 100 100 100 100 2.7-3.5 4246=100, 2.3/4666=87...(25) HB2 ARG 54 + QD TYR 55 OK 99 99 100 100 2.4-2.9 1.8/4634=100...(21) HB2 PRO 34 + QD TYR 55 OK 81 81 100 100 2.6-3.6 1.8/4666=93, 2.3/4246=84...(22) HB2 LEU 57 - QD TYR 55 far 0 99 0 - 6.4-7.0 HB ILE 33 - QD TYR 55 far 0 97 0 - 7.8-8.3 HB3 LYS 39 - QD TYR 55 far 0 73 0 - 8.2-9.7 HB3 LYS 32 - QD TYR 55 far 0 92 0 - 8.8-9.6 HB2 LYS 32 - QD TYR 55 far 0 92 0 - 8.9-9.5 HB2 LEU 62 - QD TYR 55 far 0 96 0 - 9.2-10.6 HB3 ARG 17 - QD TYR 55 far 0 92 0 - 9.8-20.4 Violated in 0 structures by 0.00 A. Peak 4595 from cnoeabs.peaks (2.80, 3.70, 50.06 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.95: HB2 TYR 55 + HD2 PRO 56 OK 95 100 95 100 3.7-4.7 4578=95, 2.5/4630=82...(14) HB2 TYR 55 - HD3 PRO 56 far 0 100 0 - 4.8-5.1 Violated in 1 structures by 0.02 A. Peak 4596 from cnoeabs.peaks (2.94, 3.70, 50.06 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: HB3 TYR 55 + HD2 PRO 56 OK 100 100 100 100 2.2-3.8 2.5/4630=71, 1.8/4595=65...(13) HB3 TYR 55 + HD3 PRO 56 OK 95 100 95 100 3.7-4.8 4.8=54, ~4595=46...(15) HB3 PHE 35 - HD2 PRO 56 far 0 65 0 - 8.6-9.5 HE3 LYS 13 - HD2 PRO 56 far 0 60 0 - 9.1-28.2 HE3 LYS 13 - HD3 PRO 56 far 0 60 0 - 9.5-29.3 HE3 LYS 32 - HD2 PRO 56 far 0 89 0 - 9.8-13.8 HB3 PHE 35 - HD3 PRO 56 far 0 65 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 4598 from cnoeabs.peaks (0.90, 1.77, 44.00 ppm; 4.53 A): 2 out of 4 assignments used, quality = 0.86: QD1 LEU 62 + HB2 LEU 57 OK 63 63 100 100 1.9-2.0 2.1/2333=100, ~4983=57...(11) QD2 LEU 62 + HB2 LEU 57 OK 63 63 100 100 3.5-4.1 2.1/2333=100...(11) HG LEU 51 - HB2 LEU 57 far 0 97 0 - 7.0-7.9 QG2 ILE 40 - HB2 LEU 57 far 0 63 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 4599 from cnoeabs.peaks (0.92, 1.47, 44.00 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.85: QD2 LEU 62 + HB3 LEU 57 OK 85 95 90 100 4.5-5.0 ~2333=84, 2.1/4983=83...(11) HG LEU 51 - HB3 LEU 57 far 0 71 0 - 7.6-8.6 QG2 ILE 40 - HB3 LEU 57 far 0 95 0 - 8.7-9.2 Violated in 2 structures by 0.03 A. Peak 4600 from cnoeabs.peaks (2.51, 1.77, 44.00 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.83: HB2 GLN 61 + HB2 LEU 57 OK 83 83 100 100 3.5-4.2 4601/1.8=78, 4602/3.1=60...(16) Violated in 0 structures by 0.00 A. Peak 4601 from cnoeabs.peaks (2.52, 1.47, 44.00 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.97: HB2 GLN 61 + HB3 LEU 57 OK 97 97 100 100 2.0-2.7 4661=96, 4600/1.8=71...(17) HG3 MET 31 - HB3 LEU 57 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 4602 from cnoeabs.peaks (2.52, 0.71, 23.03 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLN 61 + QD2 LEU 57 OK 99 99 100 100 2.8-3.3 1.8/4985=86, 4625/230=60...(17) HG3 MET 31 - QD2 LEU 57 far 0 100 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 4603 from cnoeabs.peaks (2.72, 0.71, 23.03 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + QD2 LEU 57 OK 100 100 100 100 2.0-2.5 1.8/4605=69, 2.3/5352=62...(12) Violated in 0 structures by 0.00 A. Peak 4604 from cnoeabs.peaks (2.95, 0.71, 23.03 ppm; 4.66 A): 1 out of 6 assignments used, quality = 0.99: HB3 TYR 55 + QD2 LEU 57 OK 99 99 100 100 3.0-3.4 4590=91, 1.8/4587=79...(18) HE2 LYS 32 - QD2 LEU 57 far 0 99 0 - 5.9-9.2 HE3 LYS 32 - QD2 LEU 57 far 0 99 0 - 6.4-9.5 HE3 LYS 13 - QD2 LEU 57 far 0 85 0 - 7.2-24.2 HE2 LYS 13 - QD2 LEU 57 far 0 83 0 - 7.2-23.3 HE2 LYS 39 - QD2 LEU 57 far 0 57 0 - 7.8-11.2 Violated in 0 structures by 0.00 A. Peak 4605 from cnoeabs.peaks (3.54, 0.71, 23.03 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + QD2 LEU 57 OK 100 100 100 100 2.3-2.8 1.8/4603=84, 2.3/5352=70...(12) HD3 PRO 36 - QD2 LEU 57 far 0 71 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 4606 from cnoeabs.peaks (3.89, 0.71, 23.03 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 33 + QD2 LEU 57 OK 100 100 100 100 3.0-3.4 3.2/4612=66...(12) HA LEU 51 - QD2 LEU 57 far 0 100 0 - 7.4-8.1 HD2 PRO 36 - QD2 LEU 57 far 0 89 0 - 8.6-9.0 Violated in 0 structures by 0.00 A. Peak 4607 from cnoeabs.peaks (3.81, 1.00, 27.02 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 52 + QD1 LEU 57 OK 100 100 100 100 2.2-3.1 4551=98, 2287/4554=69...(12) HD2 PRO 14 - QD1 LEU 57 far 0 71 0 - 9.9-26.1 Violated in 0 structures by 0.00 A. Peak 4608 from cnoeabs.peaks (3.92, 1.00, 27.02 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 62 + QD1 LEU 57 OK 100 100 100 100 2.5-3.2 6069=100, 4547/4554=45...(16) HA THR 37 - QD1 LEU 57 far 0 96 0 - 7.5-8.2 HA3 GLY 18 - QD1 LEU 57 far 0 100 0 - 9.8-21.6 Violated in 0 structures by 0.00 A. Peak 4610 from cnoeabs.peaks (3.94, 1.47, 44.00 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.97: HA GLN 61 + HB3 LEU 57 OK 83 83 100 100 4.8-5.1 3.0/4601=86, 3.6/5235=82...(16) HA LEU 62 + HB3 LEU 57 OK 81 81 100 100 3.0-4.3 3.0/5235=87, 4981/1.8=86...(10) HA ALA 28 - HB3 LEU 57 far 0 95 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 4611 from cnoeabs.peaks (1.22, 0.71, 23.03 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 65 + QD2 LEU 57 OK 98 99 100 100 3.1-3.6 4725=50, 4987/2.1=47...(19) QG1 VAL 65 - QD2 LEU 57 far 5 96 5 - 4.5-4.9 QG2 THR 15 - QD2 LEU 57 far 0 60 0 - 4.9-17.5 HG13 ILE 33 - QD2 LEU 57 far 0 100 0 - 5.1-5.7 HG13 ILE 40 - QD2 LEU 57 far 0 97 0 - 6.6-7.4 HG LEU 52 - QD2 LEU 57 far 0 71 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 4612 from cnoeabs.peaks (0.30, 0.71, 23.03 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 33 + QD2 LEU 57 OK 99 99 100 100 2.9-3.4 4583/4579=61...(17) Violated in 0 structures by 0.00 A. Peak 4613 from cnoeabs.peaks (0.50, 1.00, 27.02 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 52 + QD1 LEU 57 OK 93 93 100 100 2.1-2.6 4554=81, 2287/4551=47...(15) Violated in 0 structures by 0.00 A. Peak 4614 from cnoeabs.peaks (0.30, 1.00, 27.02 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 33 + QD1 LEU 57 OK 99 99 100 100 3.3-3.7 4612/2.1=92...(8) Violated in 0 structures by 0.00 A. Peak 4615 from cnoeabs.peaks (6.83, 0.71, 23.03 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: HE22 GLN 61 + QD2 LEU 57 OK 100 100 100 100 2.1-3.3 1.7/4988=75, 4.6/4985=59...(16) QE TYR 55 - QD2 LEU 57 far 0 90 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 4616 from cnoeabs.peaks (6.95, 0.71, 23.03 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD2 LEU 57 OK 100 100 100 100 2.6-3.1 4579=98, 4688/2.1=60...(22) HZ PHE 35 + QD2 LEU 57 OK 100 100 100 100 3.2-3.9 2.2/4579=79, 4591/2.1=76...(18) HZ PHE 48 - QD2 LEU 57 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 4617 from cnoeabs.peaks (6.94, 1.00, 27.02 ppm; 3.74 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD1 LEU 57 OK 100 100 100 100 2.0-2.4 4579/2.1=75, 2.2/4591=66...(21) HZ PHE 35 + QD1 LEU 57 OK 100 100 100 100 2.0-2.5 4591=97, ~4579=43...(18) HZ PHE 48 - QD1 LEU 57 far 0 100 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 4618 from cnoeabs.peaks (8.83, 1.77, 44.00 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: H LEU 62 + HB2 LEU 57 OK 100 100 100 100 3.6-4.1 5235/1.8=100...(13) Violated in 0 structures by 0.00 A. Peak 4619 from cnoeabs.peaks (8.83, 1.47, 44.00 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.99: H LEU 62 + HB3 LEU 57 OK 99 99 100 100 2.9-3.6 5235=91, 4618/1.8=84...(15) Violated in 0 structures by 0.00 A. Peak 4623 from cnoeabs.peaks (7.67, 1.31, 21.61 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: H GLN 61 + QG2 THR 58 OK 99 99 100 100 4.3-4.6 4658=99, 4648/2478=71...(12) H TYR 55 - QG2 THR 58 far 0 93 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 4626 from cnoeabs.peaks (2.09, 1.31, 21.61 ppm; 5.30 A increased from 4.71 A): 1 out of 5 assignments used, quality = 0.99: HB2 GLU 59 + QG2 THR 58 OK 99 100 100 99 4.7-5.0 701/235=90, 4628/2473=67...(6) HB2 PRO 56 - QG2 THR 58 lone 2 100 100 2 4.9-5.6 HB3 GLU 59 - QG2 THR 58 far 0 100 0 - 5.9-6.3 HB3 MET 31 - QG2 THR 58 far 0 81 0 - 6.9-7.7 HG3 PRO 56 - QG2 THR 58 far 0 100 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 4627 from cnoeabs.peaks (2.54, 1.31, 21.61 ppm; 4.86 A increased from 4.58 A): 1 out of 2 assignments used, quality = 0.97: HB2 GLN 61 + QG2 THR 58 OK 97 97 100 100 4.3-4.9 4625/2478=82, 5768=75...(9) HG3 MET 31 - QG2 THR 58 far 0 96 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 4628 from cnoeabs.peaks (2.10, 4.43, 60.59 ppm; 4.68 A increased from 4.40 A): 1 out of 4 assignments used, quality = 0.91: HB2 GLU 59 + HA THR 58 OK 91 95 100 96 4.4-4.7 701/233=84, 3.0/4631=53 HB3 GLU 59 - HA THR 58 far 0 95 0 - 5.6-5.9 HB2 PRO 56 - HA THR 58 far 0 90 0 - 6.1-6.6 HG3 PRO 56 - HA THR 58 far 0 93 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 4631 from cnoeabs.peaks (4.03, 4.43, 60.59 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.97: HA GLU 59 + HA THR 58 OK 97 97 100 100 4.3-4.3 2.9/233=99, 4991=92...(7) HA ALA 63 - HA THR 58 far 0 63 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 4633 from cnoeabs.peaks (3.84, 1.31, 21.61 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.83: HB2 SER 60 + QG2 THR 58 OK 83 100 95 87 4.3-6.0 4.4/4658=64, 3.8/4643=58 HB3 SER 60 - QG2 THR 58 far 15 100 15 - 4.7-6.1 Violated in 1 structures by 0.03 A. Peak 4634 from cnoeabs.peaks (5.46, 1.31, 21.61 ppm; 4.31 A): 0 out of 0 assignments used, quality = 0.00: Peak 4636 from cnoeabs.peaks (7.66, 4.43, 60.59 ppm; 5.84 A): 1 out of 1 assignment used, quality = 0.70: H GLN 61 + HA THR 58 OK 70 71 100 99 4.4-4.7 4620/3.0=69, 4658/3.2=62...(5) Violated in 0 structures by 0.00 A. Peak 4637 from cnoeabs.peaks (1.74, 4.04, 60.18 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 62 + HA GLU 59 OK 100 100 100 100 2.6-3.1 4678=100, 1.8/4638=58...(7) HB2 LEU 57 - HA GLU 59 far 0 76 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (1.58, 4.04, 60.18 ppm; 4.26 A increased from 3.79 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 62 + HA GLU 59 OK 100 100 100 100 3.4-4.1 1.8/4678=89, 3.1/4639=70...(7) HG LEU 62 - HA GLU 59 far 0 87 0 - 5.0-5.6 Violated in 0 structures by 0.00 A. Peak 4639 from cnoeabs.peaks (0.87, 4.04, 60.18 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 62 + HA GLU 59 OK 100 100 100 100 2.5-3.5 5365=87, 2.1/5364=56...(9) QD2 LEU 64 - HA GLU 59 far 0 65 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 4642 from cnoeabs.peaks (0.87, 2.40, 36.01 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 62 + HG2 GLU 59 OK 98 100 100 98 3.8-5.3 5365/4.2=87, 4640/703=62...(5) HG LEU 51 - HG2 GLU 50 far 0 44 0 - 6.8-9.5 QD2 LEU 64 - HG2 GLU 59 far 0 65 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4645 from cnoeabs.peaks (8.81, 4.04, 60.18 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.96: H LEU 62 + HA GLU 59 OK 96 97 100 100 3.6-3.9 4676=90, 719/4678=68...(6) Violated in 0 structures by 0.00 A. Peak 4647 from cnoeabs.peaks (7.97, 4.28, 61.17 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.99: H ALA 63 + HA SER 60 OK 99 99 100 100 3.8-4.1 4690=90, 726/4995=78...(7) Violated in 0 structures by 0.00 A. Peak 4651 from cnoeabs.peaks (1.98, 3.84, 62.16 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.99: QE MET 31 + HB3 SER 60 OK 93 100 100 93 1.9-3.5 5078=54, 5081/3.0=53...(6) QE MET 31 + HB2 SER 60 OK 92 100 100 92 2.1-4.2 5081/3.0=53, 5078/1.8=51...(6) HB2 LEU 64 - HB3 SER 60 far 0 95 0 - 6.2-7.8 HB2 LEU 64 - HB2 SER 60 far 0 95 0 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 4652 from cnoeabs.peaks (9.04, 2.60, 34.98 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.87: H THR 58 + HG2 GLN 61 OK 87 87 100 100 2.9-4.3 4625/3.0=84, 4654/3.0=84...(10) Violated in 0 structures by 0.00 A. Peak 4653 from cnoeabs.peaks (9.05, 2.53, 30.35 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: H THR 58 + HB2 GLN 61 OK 99 99 100 100 2.2-2.6 4625=98, 4624/1.8=83...(15) Violated in 0 structures by 0.00 A. Peak 4654 from cnoeabs.peaks (9.04, 1.66, 30.35 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.96: H THR 58 + HB3 GLN 61 OK 96 96 100 100 3.8-4.1 4624=96, 4625/1.8=93...(11) Violated in 0 structures by 0.00 A. Peak 4660 from cnoeabs.peaks (1.23, 3.96, 59.26 ppm; 6.18 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + HA GLN 61 OK 95 95 100 100 3.7-4.4 4999/4.7=85...(11) QG1 VAL 65 + HA GLN 61 OK 84 99 85 100 6.3-7.1 4723/4.7=79, 4.0/5758=77...(7) HG13 ILE 33 + HA GLN 61 OK 79 99 80 100 5.9-6.7 2.1/4503=93, ~4222=83...(8) QG1 VAL 65 - HA GLU 50 far 0 95 0 - 7.9-9.0 QG2 VAL 65 - HA GLU 50 far 0 89 0 - 9.2-10.5 HG13 ILE 40 - HA GLN 61 far 0 99 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 4661 from cnoeabs.peaks (1.46, 2.53, 30.35 ppm; 4.58 A): 1 out of 5 assignments used, quality = 0.99: HB3 LEU 57 + HB2 GLN 61 OK 99 99 100 100 2.0-2.7 4601=93, 228/4625=65...(17) QB ALA 63 - HB2 GLN 61 far 0 68 0 - 5.9-6.1 HG12 ILE 33 - HB2 GLN 61 far 0 90 0 - 6.9-7.7 QB ALA 30 - HB2 GLN 61 far 0 92 0 - 8.8-9.5 HB3 LEU 52 - HB2 GLN 61 far 0 95 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 4662 from cnoeabs.peaks (0.70, 2.53, 30.35 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + HB2 GLN 61 OK 97 97 100 100 2.8-3.3 4602=77, 4985/1.8=74...(17) QD1 ILE 33 + HB2 GLN 61 OK 89 99 90 100 3.9-4.6 4222/1.8=89, 4224/3.0=67...(13) Violated in 0 structures by 0.00 A. Peak 4663 from cnoeabs.peaks (0.70, 1.66, 30.35 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HB3 GLN 61 OK 99 99 100 100 2.5-3.2 4222=68, 4224/3.0=59...(14) QD2 LEU 57 + HB3 GLN 61 OK 97 97 100 100 2.7-3.0 4985=76, 4602/1.8=57...(18) Violated in 0 structures by 0.00 A. Peak 4664 from cnoeabs.peaks (1.30, 2.60, 34.98 ppm; 5.39 A): 1 out of 3 assignments used, quality = 0.96: QG2 THR 58 + HG2 GLN 61 OK 96 96 100 100 4.0-4.6 5230=96, 4627/3.0=75...(9) HG3 LYS 32 - HG2 GLN 61 far 0 63 0 - 6.1-8.9 HG2 LYS 32 - HG2 GLN 61 far 0 89 0 - 6.4-7.9 Violated in 0 structures by 0.00 A. Peak 4665 from cnoeabs.peaks (0.70, 2.60, 34.98 ppm; 4.74 A increased from 4.46 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG2 GLN 61 OK 99 99 100 100 4.3-4.8 4224/1.8=96, 4222/3.0=85...(11) QD2 LEU 57 + HG2 GLN 61 OK 97 97 100 100 4.2-4.8 4985/3.0=74, 4602/3.0=69...(17) Violated in 0 structures by 0.00 A. Peak 4666 from cnoeabs.peaks (0.69, 2.16, 34.98 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG3 GLN 61 OK 96 96 100 100 3.0-3.4 4224=86, 4222/3.0=72...(13) QD2 LEU 57 + HG3 GLN 61 OK 90 90 100 100 4.0-4.4 4985/3.0=59, 4602/3.0=54...(16) Violated in 0 structures by 0.00 A. Peak 4674 from cnoeabs.peaks (8.38, 3.92, 57.93 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.98: H VAL 65 + HA LEU 62 OK 98 98 100 100 3.0-3.5 4720=90, 738/4999=74...(9) Violated in 0 structures by 0.00 A. Peak 4675 from cnoeabs.peaks (8.60, 3.92, 57.93 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.97: H ARG 66 + HA LEU 62 OK 97 97 100 99 4.0-4.9 273/4998=74, 4.1/4999=72...(5) Violated in 1 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (4.06, 3.92, 57.93 ppm; 4.97 A increased from 4.19 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 63 + HA LEU 62 OK 100 100 100 100 4.8-4.9 4186/3.0=64...(13) HA GLU 59 - HA LEU 62 far 0 93 0 - 5.4-5.6 Violated in 0 structures by 0.00 A. Peak 4678 from cnoeabs.peaks (4.04, 1.75, 41.88 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 59 + HB2 LEU 62 OK 100 100 100 100 2.6-3.1 4637=100, 4638/1.8=58...(7) HA ALA 63 - HB2 LEU 62 far 0 87 0 - 4.6-5.3 Violated in 0 structures by 0.00 A. Peak 4679 from cnoeabs.peaks (4.04, 0.93, 24.73 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 59 + QD2 LEU 62 OK 100 100 100 100 3.9-4.3 5364=99, 4639/2.1=90...(8) HA ALA 63 - QD2 LEU 62 far 4 83 5 - 4.2-5.5 HA PHE 48 - QD2 LEU 62 far 0 95 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 4680 from cnoeabs.peaks (0.45, 0.93, 24.73 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 52 + QD2 LEU 62 OK 100 100 100 100 1.8-2.9 4553=82, 2.1/5237=69...(16) Violated in 0 structures by 0.00 A. Peak 4681 from cnoeabs.peaks (0.83, 1.49, 17.50 ppm; 5.52 A increased from 4.90 A): 1 out of 2 assignments used, quality = 0.94: QD2 LEU 64 + QB ALA 63 OK 94 95 100 100 5.4-5.5 3.1/5008=83, 4.4/263=83...(9) QG2 ILE 68 - QB ALA 63 far 0 76 0 - 8.3-8.5 Violated in 1 structures by 0.00 A. Peak 4682 from cnoeabs.peaks (0.93, 1.49, 17.50 ppm; 6.10 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 62 + QB ALA 63 OK 100 100 100 100 4.8-5.6 3910/726=93, 722/5787=77...(16) QD1 LEU 64 + QB ALA 63 OK 65 65 100 100 4.8-5.1 3.1/5008=92, 4.4/263=92...(9) QG2 ILE 40 - QB ALA 63 far 0 100 0 - 7.6-8.1 HG12 ILE 68 - QB ALA 63 far 0 99 0 - 8.4-8.8 QG2 VAL 41 - QB ALA 63 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4683 from cnoeabs.peaks (1.70, 4.06, 55.02 ppm; 5.41 A increased from 4.81 A): 1 out of 3 assignments used, quality = 0.99: HG3 ARG 66 + HA ALA 63 OK 99 99 100 100 3.0-5.1 1.8/5370=95, 2.8/4684=93...(9) HB3 LEU 64 - HA ALA 63 far 0 99 0 - 5.8-5.9 HG2 ARG 70 - HA ALA 63 far 0 100 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 4684 from cnoeabs.peaks (1.93, 4.06, 55.02 ppm; 3.98 A): 1 out of 6 assignments used, quality = 0.93: HB3 ARG 66 + HA ALA 63 OK 93 93 100 99 3.0-3.1 5372=70, 1.8/5369=51...(9) HG13 ILE 68 - HA ALA 63 far 0 100 0 - 8.0-8.4 HB3 ARG 70 - HA ALA 63 far 0 65 0 - 8.6-11.6 HB2 ARG 70 - HA ALA 63 far 0 65 0 - 9.2-11.2 HB2 MET 31 - HA ALA 63 far 0 99 0 - 9.7-10.3 HG LEU 57 - HA ALA 63 far 0 65 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4686 from cnoeabs.peaks (3.17, 4.06, 55.02 ppm; 5.59 A increased from 4.48 A): 2 out of 4 assignments used, quality = 0.96: HD3 ARG 66 + HA ALA 63 OK 84 89 95 100 2.7-6.4 3.4/4684=89, 3.0/5370=86...(9) HD2 ARG 66 + HA ALA 63 OK 76 85 90 100 2.7-6.1 3.4/4684=89, 3.0/5370=86...(9) HD2 ARG 27 - HA ALA 63 far 0 100 0 - 9.8-13.4 HD3 ARG 27 - HA ALA 63 far 0 100 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 4688 from cnoeabs.peaks (3.82, 1.49, 17.50 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.79: HB3 SER 60 + QB ALA 63 OK 79 89 90 99 4.8-5.4 3.0/4995=92, ~4647=45...(7) HB2 SER 60 - QB ALA 63 far 4 89 5 - 5.0-5.6 HA LEU 52 - QB ALA 63 far 0 85 0 - 8.9-10.5 Violated in 3 structures by 0.05 A. Peak 4689 from cnoeabs.peaks (4.28, 1.49, 17.50 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: HA SER 60 + QB ALA 63 OK 100 100 100 100 3.1-3.3 4995=100, 4647/726=42...(7) HA LEU 64 + QB ALA 63 OK 31 81 40 95 3.6-3.8 3.0/263=54, 3.0/5008=34...(12) Violated in 0 structures by 0.00 A. Peak 4691 from cnoeabs.peaks (8.57, 4.06, 55.02 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.87: H ARG 66 + HA ALA 63 OK 87 87 100 100 3.4-3.8 5036=70, 4.0/4684=61...(12) Violated in 0 structures by 0.00 A. Peak 4693 from cnoeabs.peaks (7.93, 4.26, 57.87 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: H ASP 67 + HA LEU 64 OK 100 100 100 100 3.2-3.4 4737=100, 749/4738=61...(11) H ARG 70 - HA LEU 64 far 0 85 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 4694 from cnoeabs.peaks (7.51, 4.26, 57.87 ppm; 5.35 A): 0 out of 0 assignments used, quality = 0.00: Peak 4695 from cnoeabs.peaks (3.96, 1.97, 41.01 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: HA GLN 61 + HB2 LEU 64 OK 100 100 100 100 2.9-3.4 4696/1.8=70, 4687/729=62...(12) HA ALA 28 - HB2 LEU 64 far 0 100 0 - 5.5-6.1 HA ARG 66 - HB2 LEU 64 far 0 92 0 - 7.6-7.7 HA THR 37 - HB2 LEU 64 far 0 68 0 - 8.3-9.1 HA LYS 32 - HB2 LEU 64 far 0 92 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 4696 from cnoeabs.peaks (3.96, 1.70, 41.01 ppm; 4.69 A): 1 out of 5 assignments used, quality = 0.98: HA GLN 61 + HB3 LEU 64 OK 98 98 100 100 3.8-4.1 4695/1.8=84, 4687/730=68...(9) HA ALA 28 - HB3 LEU 64 far 0 100 0 - 6.1-6.7 HA ARG 66 - HB3 LEU 64 far 0 81 0 - 8.3-8.4 HA THR 37 - HB3 LEU 64 far 0 83 0 - 9.3-10.2 HA LYS 32 - HB3 LEU 64 far 0 81 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 4700 from cnoeabs.peaks (1.22, 1.97, 41.01 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.97: QG2 VAL 65 + HB2 LEU 64 OK 97 97 100 100 3.1-3.3 738/266=88, 5965/3.1=79...(12) HG13 ILE 33 - HB2 LEU 64 far 15 100 15 - 5.0-5.6 QG1 VAL 65 - HB2 LEU 64 far 0 97 0 - 5.4-5.5 HG13 ILE 40 - HB2 LEU 64 far 0 98 0 - 7.9-8.6 HG LEU 52 - HB2 LEU 64 far 0 65 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 4703 from cnoeabs.peaks (3.65, 0.83, 26.57 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.99: HA ILE 40 + QD1 LEU 43 OK 95 96 100 100 3.1-3.9 4296=87, 5125/2.1=54...(10) HD3 PRO 44 + QD1 LEU 43 OK 73 73 100 100 3.7-4.1 4388/2.1=73, ~4387=61...(15) HA ARG 69 - QD1 LEU 43 far 0 90 0 - 7.3-8.1 HA VAL 65 - QD1 LEU 43 far 0 93 0 - 8.0-8.5 HD3 PRO 14 - QD1 LEU 43 far 0 63 0 - 9.6-30.9 Violated in 0 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (1.90, 3.63, 67.03 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: HB ILE 68 + HA VAL 65 OK 99 100 100 99 3.0-3.2 4750=78, 3.2/4706=54...(15) HG13 ILE 68 + HA VAL 65 OK 59 71 85 97 3.7-4.0 2.1/4706=70, 2.9/4750=51...(12) HG12 ILE 40 - HA VAL 65 far 0 99 0 - 5.1-5.7 HB2 ARG 66 - HA VAL 65 far 0 76 0 - 6.6-6.6 Violated in 0 structures by 0.00 A. Peak 4705 from cnoeabs.peaks (0.93, 3.63, 67.03 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.99: QG2 ILE 40 + HA VAL 65 OK 99 100 100 100 2.8-3.5 5034/3.2=59...(19) HG12 ILE 68 - HA VAL 65 far 0 95 0 - 4.8-5.2 QD1 LEU 64 - HA VAL 65 far 0 81 0 - 5.2-5.3 QD2 LEU 62 - HA VAL 65 far 0 100 0 - 6.0-7.6 QG2 VAL 41 - HA VAL 65 far 0 100 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. Peak 4706 from cnoeabs.peaks (0.79, 3.63, 67.03 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.98: QD1 ILE 68 + HA VAL 65 OK 98 98 100 100 2.0-2.9 4761=81, 3.2/4750=45...(15) QG2 ILE 68 - HA VAL 65 far 0 85 0 - 4.3-4.5 QG1 VAL 41 - HA VAL 65 far 0 99 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 4707 from cnoeabs.peaks (1.00, 2.39, 31.50 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 57 + HB VAL 65 OK 100 100 100 100 3.6-4.1 6069/4998=69, 5956=60...(13) Violated in 0 structures by 0.00 A. Peak 4708 from cnoeabs.peaks (0.91, 2.39, 31.50 ppm; 4.72 A increased from 4.45 A): 2 out of 4 assignments used, quality = 0.88: QG2 ILE 40 + HB VAL 65 OK 71 71 100 100 4.3-4.7 5034/2.1=74, 4732/273=49...(13) QD2 LEU 62 + HB VAL 65 OK 59 71 85 99 3.4-5.1 4.0/4998=68, ~5006=56...(9) HG LEU 51 - HB VAL 65 far 0 95 0 - 6.1-7.5 HG12 ILE 68 - HB VAL 65 far 0 90 0 - 7.8-8.1 Violated in 0 structures by 0.00 A. Peak 4710 from cnoeabs.peaks (7.97, 3.63, 67.03 ppm; 4.72 A): 1 out of 7 assignments used, quality = 0.94: H ARG 69 + HA VAL 65 OK 94 95 100 100 4.2-4.7 290/4750=69, 939/4747=68...(7) H ARG 70 - HA VAL 65 far 0 89 0 - 6.7-7.2 H ALA 63 - HA VAL 65 far 0 99 0 - 6.8-7.0 H GLY 72 - HA VAL 65 far 0 81 0 - 8.2-8.9 H LYS 73 - HA VAL 65 far 0 65 0 - 9.9-10.5 H LEU 29 - HA VAL 65 far 0 87 0 - 9.9-10.6 H LYS 32 - HA VAL 65 far 0 60 0 - 9.9-10.5 Violated in 1 structures by 0.00 A. Peak 4713 from cnoeabs.peaks (6.95, 2.39, 31.50 ppm; 4.89 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 48 + HB VAL 65 OK 98 99 100 99 3.5-3.8 ~4718=67, ~4716=50...(10) HZ PHE 35 + HB VAL 65 OK 97 98 100 99 4.2-4.5 4591/4707=58...(10) QE PHE 35 + HB VAL 65 OK 97 97 100 100 4.7-5.0 ~5031=50, 4581/4955=50...(14) Violated in 0 structures by 0.00 A. Peak 4714 from cnoeabs.peaks (7.94, 1.21, 23.08 ppm; 5.49 A increased from 5.16 A): 1 out of 4 assignments used, quality = 0.93: H ASP 67 + QG2 VAL 65 OK 93 93 100 100 5.1-5.2 937/4.1=81, 5807/3.2=65...(14) H LYS 32 - QG2 VAL 65 far 0 100 0 - 7.4-7.8 H ARG 70 - QG2 VAL 65 far 0 99 0 - 7.8-8.3 H LEU 29 - QG2 VAL 65 far 0 99 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 4715 from cnoeabs.peaks (7.39, 1.21, 23.08 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.73: H LEU 64 + QG2 VAL 65 OK 73 73 100 100 3.7-4.0 4697=73, 4.6/738=72...(9) H LYS 39 - QG2 VAL 65 far 0 100 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 4716 from cnoeabs.peaks (7.14, 1.21, 23.08 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.88: QE PHE 48 + QG2 VAL 65 OK 88 89 100 100 4.4-4.5 4540/4726=73...(16) Violated in 0 structures by 0.00 A. Peak 4717 from cnoeabs.peaks (6.95, 1.21, 23.08 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QG2 VAL 65 OK 98 100 100 98 2.9-3.1 4576=43, 4581/4726=37...(20) HZ PHE 35 + QG2 VAL 65 OK 94 100 100 94 2.0-2.1 4590=37, 2.2/4576=31...(15) HZ PHE 48 - QG2 VAL 65 far 0 100 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 4718 from cnoeabs.peaks (7.14, 1.23, 22.65 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 48 + QG1 VAL 65 OK 94 96 100 98 1.9-1.9 4323/5034=47, 4610=42...(17) Violated in 0 structures by 0.00 A. Peak 4719 from cnoeabs.peaks (6.95, 1.23, 22.65 ppm; 3.13 A): 3 out of 3 assignments used, quality = 1.00: HZ PHE 48 + QG1 VAL 65 OK 95 100 100 95 2.6-3.0 2.2/4718=50...(13) QE PHE 35 + QG1 VAL 65 OK 94 99 100 95 2.0-2.6 4581/4728=30...(22) HZ PHE 35 + QG1 VAL 65 OK 88 99 100 89 2.0-2.3 4590=29, 4590/2.1=26...(16) Violated in 0 structures by 0.00 A. Peak 4721 from cnoeabs.peaks (3.93, 2.39, 31.50 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 62 + HB VAL 65 OK 98 98 100 100 2.7-3.3 4998=98, 4722/2.1=76...(11) HA THR 37 - HB VAL 65 far 0 100 0 - 8.0-8.7 HA ALA 28 - HB VAL 65 far 0 71 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 4722 from cnoeabs.peaks (3.93, 1.21, 23.08 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.98: HA LEU 62 + QG2 VAL 65 OK 98 98 100 100 2.0-2.1 4999=94, 4998/2.1=59...(15) HA ALA 28 - QG2 VAL 65 far 0 71 0 - 5.5-6.1 HA THR 37 - QG2 VAL 65 far 0 100 0 - 5.7-6.4 Violated in 0 structures by 0.00 A. Peak 4723 from cnoeabs.peaks (3.93, 1.23, 22.65 ppm; 4.32 A increased from 3.84 A): 1 out of 5 assignments used, quality = 0.97: HA LEU 62 + QG1 VAL 65 OK 97 97 100 100 4.0-4.2 4999/2.1=87, 4721/2.1=84...(11) HA THR 37 - QG1 VAL 65 far 0 100 0 - 5.0-5.5 HA ALA 28 - QG1 VAL 65 far 0 73 0 - 6.9-7.4 HA2 GLY 72 - QG1 VAL 65 far 0 60 0 - 8.2-10.4 HA3 GLY 18 - QG1 VAL 65 far 0 100 0 - 9.8-21.1 Violated in 0 structures by 0.00 A. Peak 4724 from cnoeabs.peaks (0.96, 1.21, 23.08 ppm; 4.56 A increased from 3.65 A): 2 out of 5 assignments used, quality = 0.88: QD2 LEU 62 + QG2 VAL 65 OK 65 65 100 100 3.7-4.7 2.1/5006=76, 4.0/4722=67...(11) QG2 ILE 40 + QG2 VAL 65 OK 65 65 100 99 4.1-4.5 4705/3.2=39, ~5033=34...(18) QD1 LEU 64 - QG2 VAL 65 far 0 100 0 - 4.9-5.1 QG2 VAL 41 - QG2 VAL 65 far 0 78 0 - 7.1-7.6 QD2 LEU 43 - QG2 VAL 65 far 0 96 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 4725 from cnoeabs.peaks (0.71, 1.21, 23.08 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + QG2 VAL 65 OK 98 100 100 98 3.1-3.6 4611=52, 2.1/4987=35...(18) QD1 ILE 33 + QG2 VAL 65 OK 96 100 100 96 2.7-3.0 1682/4727=47, 1684=46...(17) Violated in 0 structures by 0.00 A. Peak 4726 from cnoeabs.peaks (0.50, 1.21, 23.08 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 52 + QG2 VAL 65 OK 95 96 100 99 2.5-3.4 2.1/5315=44...(18) Violated in 0 structures by 0.00 A. Peak 4727 from cnoeabs.peaks (0.31, 1.21, 23.08 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.90: QG2 ILE 33 + QG2 VAL 65 OK 90 100 100 90 2.9-3.2 1663=46, 1682/1684=30...(11) Violated in 0 structures by 0.00 A. Peak 4728 from cnoeabs.peaks (0.50, 1.23, 22.65 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 52 + QG1 VAL 65 OK 94 96 100 99 1.8-2.4 2.1/5314=53...(17) Violated in 0 structures by 0.00 A. Peak 4729 from cnoeabs.peaks (0.72, 1.23, 22.65 ppm; 4.52 A increased from 3.81 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 33 + QG1 VAL 65 OK 95 97 100 97 4.3-4.7 5795/2664=51, ~4727=47...(13) QD2 LEU 57 + QG1 VAL 65 OK 60 99 60 100 4.5-4.9 4611/2.1=81...(13) Violated in 0 structures by 0.00 A. Peak 4730 from cnoeabs.peaks (1.97, 1.23, 22.65 ppm; 5.78 A increased from 4.87 A): 3 out of 7 assignments used, quality = 1.00: HB2 LEU 64 + QG1 VAL 65 OK 100 100 100 100 5.4-5.5 4700/2.1=94, 266/2664=93...(11) HG LEU 57 + QG1 VAL 65 OK 93 93 100 100 5.6-6.1 ~4611=80, ~4707=73...(11) HB3 ARG 66 + QG1 VAL 65 OK 65 65 100 100 5.4-5.6 2.8/6106=81, 3.0/4734=78...(8) QE MET 31 - QG1 VAL 65 far 0 81 0 - 6.6-7.2 HG LEU 43 - QG1 VAL 65 far 0 83 0 - 7.4-7.9 HB3 ARG 70 - QG1 VAL 65 far 0 93 0 - 7.8-9.7 HB2 ARG 70 - QG1 VAL 65 far 0 93 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 4731 from cnoeabs.peaks (1.75, 1.21, 23.08 ppm; 5.60 A): 3 out of 10 assignments used, quality = 1.00: HB2 LEU 62 + QG2 VAL 65 OK 100 100 100 100 4.3-4.7 3.0/4722=98, 3.1/5006=85...(12) HB2 LEU 57 + QG2 VAL 65 OK 90 90 100 100 3.9-4.5 3.1/4611=89...(15) HB ILE 33 + QG2 VAL 65 OK 87 87 100 100 5.3-5.6 2.1/4727=100...(4) HG2 PRO 34 - QG2 VAL 65 poor 20 98 20 - 5.8-6.4 HB2 ARG 54 - QG2 VAL 65 far 0 92 0 - 7.5-9.2 HB2 LYS 32 - QG2 VAL 65 far 0 76 0 - 7.6-7.9 HB2 PRO 34 - QG2 VAL 65 far 0 60 0 - 7.7-7.9 HB3 LYS 32 - QG2 VAL 65 far 0 76 0 - 8.4-8.8 HB2 LEU 43 - QG2 VAL 65 far 0 68 0 - 8.6-9.0 HG3 ARG 71 - QG2 VAL 65 far 0 100 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 4733 from cnoeabs.peaks (1.40, 3.98, 60.19 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: HB3 ARG 69 + HA ARG 66 OK 100 100 100 100 3.3-4.2 4766=92, 1.8/5047=84...(8) HG3 ARG 69 - HA ARG 66 far 8 85 10 - 4.8-6.0 HG3 LYS 73 - HA ARG 66 far 0 99 0 - 8.9-11.8 Violated in 0 structures by 0.00 A. Peak 4734 from cnoeabs.peaks (1.21, 3.98, 60.19 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.84: QG1 VAL 65 + HA ARG 66 OK 84 85 100 99 3.9-4.0 ~273=46, ~3921=41...(15) HG2 ARG 69 - HA ARG 66 far 0 65 0 - 5.3-6.0 QG2 VAL 65 - HA ARG 66 far 0 100 0 - 5.3-5.4 HG LEU 52 - HA ARG 66 far 0 87 0 - 6.1-6.8 HG13 ILE 40 - HA ARG 66 far 0 87 0 - 6.4-7.1 HG13 ILE 33 - HA ARG 66 far 0 99 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 4735 from cnoeabs.peaks (6.95, 3.98, 60.19 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 48 + HA ARG 66 OK 100 100 100 100 2.0-2.5 4605=100, 2.2/6072=65...(12) QE PHE 35 - HA ARG 66 far 0 99 0 - 7.3-7.6 HZ PHE 35 - HA ARG 66 far 0 99 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 4738 from cnoeabs.peaks (4.25, 2.90, 41.70 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 64 + HB2 ASP 67 OK 99 99 100 100 2.6-3.1 5288=86, 5287/1.8=73...(6) HA SER 60 - HB2 ASP 67 far 0 73 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 4739 from cnoeabs.peaks (4.26, 2.84, 41.70 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 64 + HB3 ASP 67 OK 100 100 100 100 3.1-3.7 5288/1.8=85, 5287=73...(6) Violated in 0 structures by 0.00 A. Peak 4742 from cnoeabs.peaks (1.95, 4.48, 57.73 ppm; 3.46 A): 2 out of 5 assignments used, quality = 0.67: HB3 ARG 70 + HA ASP 67 OK 45 100 55 81 2.4-5.2 2.9/5049=33, 4.1/4792=33...(9) HB2 ARG 70 + HA ASP 67 OK 41 100 50 81 3.2-5.0 2.9/5049=33, 4.1/4792=33...(9) HB3 ARG 66 - HA ASP 67 far 0 99 0 - 4.4-4.6 HG13 ILE 68 - HA ASP 67 far 0 68 0 - 5.2-5.5 HB2 LEU 64 - HA ASP 67 far 0 78 0 - 7.9-8.0 Violated in 6 structures by 0.01 A. Peak 4743 from cnoeabs.peaks (1.94, 2.90, 41.70 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.99: HG13 ILE 68 + HB2 ASP 67 OK 92 95 100 97 4.3-4.9 2770/286=68, 4745/1.8=57...(6) HB3 ARG 66 + HB2 ASP 67 OK 91 100 100 92 4.2-4.4 4.6/749=68, 742/5811=55...(4) HB3 ARG 70 - HB2 ASP 67 far 13 87 15 - 5.0-7.9 HB2 ARG 70 - HB2 ASP 67 far 0 87 0 - 5.9-7.7 HB2 MET 31 - HB2 ASP 67 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4744 from cnoeabs.peaks (0.96, 2.90, 41.70 ppm; 4.66 A increased from 4.39 A): 1 out of 4 assignments used, quality = 0.99: QD1 LEU 64 + HB2 ASP 67 OK 99 100 100 99 4.2-4.7 5020/1.8=89...(5) QG2 ILE 40 - HB2 ASP 67 far 0 57 0 - 6.5-7.2 QG2 VAL 41 - HB2 ASP 67 far 0 71 0 - 7.9-8.8 QD2 LEU 62 - HB2 ASP 67 far 0 57 0 - 8.1-9.6 Violated in 3 structures by 0.00 A. Peak 4745 from cnoeabs.peaks (1.92, 2.84, 41.70 ppm; 4.72 A): 2 out of 5 assignments used, quality = 0.99: HG13 ILE 68 + HB3 ASP 67 OK 98 100 100 98 3.1-3.5 2770/287=69...(6) HB ILE 68 + HB3 ASP 67 OK 31 63 55 90 4.9-5.2 3.9/287=69, 2.9/5975=39...(4) HB3 ARG 66 - HB3 ASP 67 far 0 89 0 - 5.4-5.9 HB2 MET 31 - HB3 ASP 67 far 0 97 0 - 9.2-9.9 HG12 ILE 40 - HB3 ASP 67 far 0 83 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 4746 from cnoeabs.peaks (0.94, 2.84, 41.70 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.97: QD1 LEU 64 + HB3 ASP 67 OK 86 87 100 99 3.7-4.4 5020=85, 2648/4739=59...(6) HG12 ILE 68 + HB3 ASP 67 OK 76 90 95 88 4.4-4.9 755/287=60, 1.8/4745=54...(4) QG2 ILE 40 - HB3 ASP 67 far 0 99 0 - 6.1-6.7 QG2 VAL 41 - HB3 ASP 67 far 0 100 0 - 7.0-7.8 QD2 LEU 62 - HB3 ASP 67 far 0 99 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 4748 from cnoeabs.peaks (1.79, 3.51, 65.41 ppm; 4.62 A): 0 out of 3 assignments used, quality = 0.00: HB2 ARG 69 - HA ILE 68 far 0 97 0 - 5.6-5.8 HB3 LYS 75 - HA ILE 68 far 0 100 0 - 7.0-10.1 HB3 LYS 73 - HA ILE 68 far 0 93 0 - 8.6-9.7 Violated in 20 structures by 0.96 A. Peak 4749 from cnoeabs.peaks (1.21, 1.90, 38.07 ppm; 4.70 A): 3 out of 5 assignments used, quality = 0.98: HG13 ILE 40 + HB ILE 68 OK 78 78 100 100 4.4-5.0 2.1/5246=79, ~5249=67...(14) QG1 VAL 65 + HB ILE 68 OK 76 76 100 100 3.8-4.0 3.2/4750=75, 5964/2.1=55...(15) QG2 VAL 65 + HB ILE 68 OK 54 100 55 99 4.9-5.1 3.2/4750=75, ~5964=50...(12) HG13 ILE 33 - HB ILE 68 far 0 97 0 - 6.2-6.9 HG LEU 52 - HB ILE 68 far 0 93 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 4750 from cnoeabs.peaks (3.64, 1.90, 38.07 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 65 + HB ILE 68 OK 99 100 100 100 3.0-3.2 4704=63, 4706/3.2=62...(15) HA ARG 69 - HB ILE 68 far 15 99 15 - 4.2-4.4 HA ILE 40 - HB ILE 68 far 0 100 0 - 5.5-6.4 Violated in 0 structures by 0.00 A. Peak 4751 from cnoeabs.peaks (3.63, 0.81, 17.06 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: HA ARG 69 + QG2 ILE 68 OK 100 100 100 100 3.3-3.7 2.9/291=59, 4767=48...(17) HA VAL 65 - QG2 ILE 68 far 0 100 0 - 4.3-4.5 HA ILE 40 - QG2 ILE 68 far 0 100 0 - 4.5-5.4 Violated in 0 structures by 0.00 A. Peak 4752 from cnoeabs.peaks (2.58, 0.81, 17.06 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.96: HB3 ASP 24 + QG2 ILE 68 OK 83 96 90 97 4.2-5.1 ~4760=50, ~5508=48...(8) HB2 ASP 24 + QG2 ILE 68 OK 76 81 100 94 3.0-4.1 5508/3.2=54, 4760/2.9=49...(6) Violated in 0 structures by 0.00 A. Peak 4753 from cnoeabs.peaks (2.10, 0.81, 17.06 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.87: HB ILE 40 + QG2 ILE 68 OK 87 87 100 100 2.1-2.9 2.1/4298=92, 3.2/5249=70...(22) HB2 PRO 36 - QG2 ILE 68 far 0 85 0 - 6.6-7.0 HG2 PRO 36 - QG2 ILE 68 far 0 96 0 - 7.1-7.7 HG3 PRO 36 - QG2 ILE 68 far 0 97 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 4754 from cnoeabs.peaks (1.18, 0.81, 17.06 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 37 + QG2 ILE 68 OK 99 100 100 99 2.6-3.7 2.1/4763=61, 4885/3.2=48...(17) QG2 THR 15 - QG2 ILE 68 far 0 90 0 - 7.6-19.0 HG LEU 52 - QG2 ILE 68 far 0 83 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 4755 from cnoeabs.peaks (1.36, 0.81, 17.06 ppm; 5.12 A): 2 out of 9 assignments used, quality = 0.81: QB ALA 28 + QG2 ILE 68 OK 64 65 100 98 4.3-5.1 5302/2.9=59, ~5928=56...(8) HB3 ARG 69 + QG2 ILE 68 OK 48 60 80 100 4.2-5.6 3.0/4751=88, 763/291=82...(9) HG3 ARG 69 - QG2 ILE 68 poor 19 97 20 - 5.2-6.3 QB ALA 20 - QG2 ILE 68 far 0 96 0 - 5.7-12.6 HG3 LYS 73 - QG2 ILE 68 far 0 78 0 - 6.3-9.3 HG3 LYS 75 - QG2 ILE 68 far 0 73 0 - 6.9-9.9 HG2 LYS 75 - QG2 ILE 68 far 0 73 0 - 8.0-10.7 QB ALA 77 - QG2 ILE 68 far 0 97 0 - 9.3-10.5 QB ALA 16 - QG2 ILE 68 far 0 99 0 - 9.7-18.1 Violated in 0 structures by 0.00 A. Peak 4756 from cnoeabs.peaks (2.56, 0.92, 28.80 ppm; 5.31 A): 2 out of 2 assignments used, quality = 0.99: HB2 ASP 24 + HG12 ILE 68 OK 98 98 100 100 3.2-4.0 4760/2.1=88, 5508=83...(8) HB3 ASP 24 + HG12 ILE 68 OK 55 73 75 100 4.5-5.7 1.8/5508=80, ~4760=69...(7) Violated in 0 structures by 0.00 A. Peak 4757 from cnoeabs.peaks (1.19, 0.78, 13.95 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.91: QG2 THR 37 + QD1 ILE 68 OK 78 92 85 99 2.2-4.3 4885/2.1=49, 4284=48...(21) QG2 VAL 65 + QD1 ILE 68 OK 61 68 100 89 3.2-3.7 3.2/4706=50, ~5964=23...(12) QG2 THR 15 - QD1 ILE 68 far 0 100 0 - 7.0-17.4 HG LEU 52 - QD1 ILE 68 far 0 98 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 4758 from cnoeabs.peaks (1.34, 0.78, 13.95 ppm; 3.72 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 28 + QD1 ILE 68 OK 100 100 100 100 3.0-3.7 5302=99, 2.1/5928=37...(10) QB ALA 16 - QD1 ILE 68 far 0 83 0 - 8.6-16.7 HB2 LEU 52 - QD1 ILE 68 far 0 100 0 - 8.8-10.3 HB2 LEU 51 - QD1 ILE 68 far 0 87 0 - 9.2-10.2 HG3 LYS 32 - QD1 ILE 68 far 0 97 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4759 from cnoeabs.peaks (1.55, 0.78, 13.95 ppm; 3.56 A): 1 out of 4 assignments used, quality = 0.97: HG LEU 64 + QD1 ILE 68 OK 97 98 100 99 1.9-2.3 5242=89, 3.0/5252=45...(11) HG2 LYS 39 - QD1 ILE 68 far 0 100 0 - 7.6-9.2 HG LEU 62 - QD1 ILE 68 far 0 89 0 - 7.9-8.7 HG3 ARG 23 - QD1 ILE 68 far 0 99 0 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 4760 from cnoeabs.peaks (2.56, 0.78, 13.95 ppm; 4.62 A increased from 4.11 A): 1 out of 2 assignments used, quality = 0.98: HB2 ASP 24 + QD1 ILE 68 OK 98 100 100 98 4.3-4.4 5508/2.1=75, 5507=50...(11) HB2 GLN 61 - QD1 ILE 68 far 0 57 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 4761 from cnoeabs.peaks (3.63, 0.78, 13.95 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 65 + QD1 ILE 68 OK 99 99 100 100 2.0-2.9 4706=97, 4747/757=49...(15) HA ILE 40 - QD1 ILE 68 far 0 98 0 - 5.7-6.7 HA ARG 69 - QD1 ILE 68 far 0 100 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 4762 from cnoeabs.peaks (3.94, 0.81, 17.06 ppm; 4.34 A): 2 out of 10 assignments used, quality = 1.00: HA THR 37 + QG2 ILE 68 OK 99 99 100 100 2.7-3.3 3.2/4754=69...(20) HA2 GLY 72 + QG2 ILE 68 OK 40 81 60 83 3.2-5.3 3.0/5056=34, 1.8/4795=27...(7) HA ALA 28 - QG2 ILE 68 far 0 90 0 - 5.6-6.5 HA3 GLY 18 - QG2 ILE 68 far 0 95 0 - 7.4-18.5 HA2 GLY 18 - QG2 ILE 68 far 0 93 0 - 8.1-19.0 HA3 GLY 21 - QG2 ILE 68 far 0 98 0 - 8.3-12.5 HA LEU 62 - QG2 ILE 68 far 0 87 0 - 8.6-8.9 HA GLN 61 - QG2 ILE 68 far 0 76 0 - 8.8-9.6 HA2 GLY 21 - QG2 ILE 68 far 0 97 0 - 9.2-12.5 HA VAL 76 - QG2 ILE 68 far 0 68 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 4763 from cnoeabs.peaks (4.22, 0.81, 17.06 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: HB THR 37 + QG2 ILE 68 OK 100 100 100 100 1.9-3.4 2.1/4754=78...(17) HA LYS 39 - QG2 ILE 68 far 0 63 0 - 6.4-7.3 HA LYS 75 - QG2 ILE 68 far 0 78 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 4764 from cnoeabs.peaks (3.95, 0.78, 13.95 ppm; 4.89 A): 2 out of 10 assignments used, quality = 1.00: HA ALA 28 + QD1 ILE 68 OK 100 100 100 100 3.3-4.1 2.1/4758=95, 3.0/5909=65...(7) HA THR 37 + QD1 ILE 68 OK 87 87 100 100 2.9-3.7 4313/5247=75...(17) HA ARG 66 - QD1 ILE 68 far 0 76 0 - 5.6-6.5 HA GLN 61 - QD1 ILE 68 far 0 97 0 - 5.8-6.6 HA2 GLY 72 - QD1 ILE 68 far 0 98 0 - 6.3-8.3 HA LEU 62 - QD1 ILE 68 far 0 57 0 - 6.4-7.0 HA LYS 32 - QD1 ILE 68 far 0 76 0 - 8.0-8.6 HA3 GLY 21 - QD1 ILE 68 far 0 100 0 - 9.0-12.8 HA3 GLY 18 - QD1 ILE 68 far 0 71 0 - 9.3-17.8 HA2 GLY 21 - QD1 ILE 68 far 0 100 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 4765 from cnoeabs.peaks (4.24, 0.78, 13.95 ppm; 4.82 A): 2 out of 4 assignments used, quality = 0.98: HB THR 37 + QD1 ILE 68 OK 89 89 100 100 2.4-3.5 ~4885=61, 4763/2.9=58...(15) HA LEU 64 + QD1 ILE 68 OK 83 83 100 100 4.2-4.5 6071=79, 3.0/5252=77...(6) HA LYS 39 - QD1 ILE 68 far 0 97 0 - 8.0-9.0 HA ALA 20 - QD1 ILE 68 far 0 81 0 - 8.5-14.7 Violated in 0 structures by 0.00 A. Peak 4766 from cnoeabs.peaks (3.97, 1.39, 29.46 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 66 + HB3 ARG 69 OK 100 100 100 100 3.3-4.2 4733=100, 5047/1.8=87...(8) HA2 GLY 72 - HB3 ARG 69 far 0 98 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 4767 from cnoeabs.peaks (0.80, 3.63, 59.20 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HA ARG 69 OK 99 99 100 100 3.3-3.7 4751=99, 291/2.9=60...(18) QG1 VAL 41 + HA ARG 69 OK 97 99 100 97 3.3-4.1 2.1/5130=75, 4903/3.9=38...(17) QD1 ILE 68 - HA ARG 69 far 0 81 0 - 5.8-6.0 QD1 LEU 43 - HA ARG 69 far 0 63 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 4768 from cnoeabs.peaks (2.04, 3.63, 59.20 ppm; 4.83 A increased from 4.29 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 69 + HA ARG 69 OK 95 95 100 100 3.8-4.7 4.6=100 HD2 ARG 69 + HA ARG 69 OK 95 95 100 100 4.0-4.8 4.6=100 HB VAL 76 - HA ARG 69 far 0 100 0 - 8.6-10.7 HB VAL 45 - HA ARG 69 far 0 78 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 4769 from cnoeabs.peaks (0.91, 3.63, 59.20 ppm; 3.48 A): 2 out of 7 assignments used, quality = 0.96: QG2 ILE 40 + HA ARG 69 OK 85 87 100 98 2.1-2.9 292/2.9=53, 4302/3.0=44...(17) QG2 VAL 41 + HA ARG 69 OK 72 76 100 95 1.9-2.6 5130=65, 2.1/4767=28...(17) QG2 VAL 76 - HA ARG 69 far 0 98 0 - 5.7-10.9 HG12 ILE 68 - HA ARG 69 far 0 98 0 - 6.5-6.6 QG1 VAL 76 - HA ARG 69 far 0 98 0 - 6.7-9.7 QD2 LEU 62 - HA ARG 69 far 0 87 0 - 9.6-11.5 HG LEU 51 - HA ARG 69 far 0 83 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 4773 from cnoeabs.peaks (0.92, 1.80, 29.46 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 40 + HB2 ARG 69 OK 99 99 100 100 1.9-3.5 4303=98, 4302/1.8=90...(13) QG2 VAL 41 + HB2 ARG 69 OK 29 96 30 99 3.9-5.2 5130/3.0=70, ~4903=36...(17) HG12 ILE 68 - HB2 ARG 69 far 0 100 0 - 7.0-7.6 QD2 LEU 62 - HB2 ARG 69 far 0 99 0 - 7.9-9.6 QG2 VAL 76 - HB2 ARG 69 far 0 100 0 - 8.0-12.7 QG1 VAL 76 - HB2 ARG 69 far 0 100 0 - 8.5-11.7 QD2 LEU 43 - HB2 ARG 69 far 0 78 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 4774 from cnoeabs.peaks (0.92, 1.39, 29.46 ppm; 4.31 A): 2 out of 7 assignments used, quality = 1.00: QG2 ILE 40 + HB3 ARG 69 OK 99 99 100 100 1.9-3.6 4302=88, 4303/1.8=83...(14) QG2 VAL 41 + HB3 ARG 69 OK 67 97 70 100 3.6-5.3 5130/3.0=71, ~4903=36...(20) HG12 ILE 68 - HB3 ARG 69 far 0 100 0 - 7.2-8.0 QG2 VAL 76 - HB3 ARG 69 far 0 100 0 - 7.5-12.7 QD2 LEU 62 - HB3 ARG 69 far 0 99 0 - 7.6-10.1 QD2 LEU 43 - HB3 ARG 69 far 0 81 0 - 8.0-10.3 QG1 VAL 76 - HB3 ARG 69 far 0 100 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 4776 from cnoeabs.peaks (3.96, 1.24, 27.02 ppm; 4.11 A): 1 out of 8 assignments used, quality = 0.60: HA ALA 28 + HG13 ILE 33 OK 60 60 100 100 2.2-2.8 4175/1.8=71, 4174/2.1=60...(12) HA THR 37 - HG13 ILE 33 far 0 29 0 - 5.1-5.5 HA ARG 66 - HG2 ARG 69 far 0 97 0 - 5.3-6.0 HA2 GLY 72 - HG2 ARG 69 far 0 100 0 - 5.5-8.3 HA GLN 61 - HG13 ILE 33 far 0 63 0 - 5.9-6.7 HA LYS 32 - HG13 ILE 33 far 0 57 0 - 5.9-6.2 HA THR 37 - HG2 ARG 69 far 0 57 0 - 8.8-10.4 HA ARG 66 - HG13 ILE 33 far 0 57 0 - 10.0-10.3 Violated in 0 structures by 0.00 A. Peak 4777 from cnoeabs.peaks (3.98, 1.38, 27.02 ppm; 5.91 A increased from 5.26 A): 2 out of 3 assignments used, quality = 1.00: HA ARG 66 + HG3 ARG 69 OK 100 100 100 100 4.8-6.0 4733/3.0=92, 5047/3.0=92...(8) HA ARG 70 + HG3 ARG 69 OK 78 78 100 100 4.8-6.0 2.9/3944=84, ~3943=77...(13) HA2 GLY 72 - HG3 ARG 69 far 9 89 10 - 5.6-9.6 Violated in 0 structures by 0.00 A. Peak 4778 from cnoeabs.peaks (0.94, 1.38, 27.02 ppm; 4.42 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 40 + HG3 ARG 69 OK 92 92 100 100 2.2-3.7 4302/3.0=71, 4303/3.0=64...(12) QG2 VAL 41 + HG3 ARG 69 OK 83 97 85 100 3.2-5.3 5130/3.9=62, 3.2/5253=60...(18) QG1 VAL 76 - HG3 ARG 69 far 0 73 0 - 6.5-10.7 QD2 LEU 43 - HG3 ARG 69 far 0 100 0 - 7.3-8.1 QG2 VAL 76 - HG3 ARG 69 far 0 73 0 - 7.3-11.3 QD2 LEU 62 - HG3 ARG 69 far 0 92 0 - 8.3-11.3 HG12 ILE 68 - HG3 ARG 69 far 0 73 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 4779 from cnoeabs.peaks (0.95, 1.24, 27.02 ppm; 4.54 A): 2 out of 12 assignments used, quality = 0.99: QG2 ILE 40 + HG2 ARG 69 OK 90 90 100 100 3.2-4.6 4302/3.0=72, 4303/3.0=66...(13) QG2 VAL 41 + HG2 ARG 69 OK 87 97 90 100 3.6-4.9 5130/3.9=64, 2.1/4903=62...(16) QD1 LEU 64 - HG13 ILE 33 far 6 59 10 - 4.8-5.5 HG12 ILE 68 - HG13 ILE 33 far 0 37 0 - 5.9-6.7 QG2 VAL 76 - HG2 ARG 69 far 0 71 0 - 6.1-11.3 QG1 VAL 76 - HG2 ARG 69 far 0 71 0 - 6.4-10.7 QG2 ILE 40 - HG13 ILE 33 far 0 51 0 - 6.5-6.8 QD2 LEU 43 - HG2 ARG 69 far 0 100 0 - 7.9-9.4 QG2 VAL 41 - HG13 ILE 33 far 0 57 0 - 8.6-8.9 HG12 ILE 68 - HG2 ARG 69 far 0 71 0 - 8.9-9.3 QD2 LEU 62 - HG13 ILE 33 far 0 51 0 - 9.2-10.1 QD2 LEU 62 - HG2 ARG 69 far 0 90 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 4780 from cnoeabs.peaks (0.93, 2.03, 42.48 ppm; 4.80 A increased from 4.52 A): 2 out of 14 assignments used, quality = 1.00: QG2 ILE 40 + HD2 ARG 69 OK 99 100 100 99 2.8-5.0 4302/3.9=72, 4303/3.9=66...(11) QG2 ILE 40 + HD3 ARG 69 OK 84 100 85 99 2.9-5.2 4302/3.9=72, 4303/3.9=66...(11) QG2 VAL 41 - HD3 ARG 69 far 10 97 10 - 5.0-6.5 QG2 VAL 41 - HD2 ARG 69 far 0 97 0 - 5.1-6.2 QG1 VAL 76 - HD3 ARG 69 far 0 100 0 - 6.7-12.7 QG2 VAL 76 - HD3 ARG 69 far 0 100 0 - 6.9-13.3 QD2 LEU 43 - HD2 ARG 69 far 0 83 0 - 7.2-10.2 QG1 VAL 76 - HD2 ARG 69 far 0 100 0 - 7.7-12.7 QD2 LEU 43 - HD3 ARG 69 far 0 83 0 - 8.0-10.1 QG2 VAL 76 - HD2 ARG 69 far 0 100 0 - 8.2-13.3 QD2 LEU 62 - HD2 ARG 69 far 0 100 0 - 8.3-10.9 QD2 LEU 62 - HD3 ARG 69 far 0 100 0 - 8.9-11.4 HG12 ILE 68 - HD2 ARG 69 far 0 100 0 - 9.1-10.8 HG12 ILE 68 - HD3 ARG 69 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 4784 from cnoeabs.peaks (7.14, 1.38, 27.02 ppm; 5.59 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 48 + HG3 ARG 69 OK 97 97 100 100 3.5-5.0 5981/1.8=74, 5979/3.0=61...(15) Violated in 0 structures by 0.00 A. Peak 4785 from cnoeabs.peaks (4.81, 1.38, 27.02 ppm; 6.50 A): 0 out of 0 assignments used, 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 = 0.99: QE PHE 48 + HD2 ARG 69 OK 97 99 100 98 2.9-4.8 5981/3.0=43, 2.2/5823=38...(16) QE PHE 48 + HD3 ARG 69 OK 77 99 80 98 2.6-5.3 5981/3.0=43, 4784/3.0=34...(16) Violated in 0 structures by 0.00 A. Peak 4789 from cnoeabs.peaks (7.16, 2.03, 42.48 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.99: QE PHE 48 + HD2 ARG 69 OK 93 100 95 98 2.9-4.8 5981/3.0=43, 4784/3.0=38...(16) QE PHE 48 + HD3 ARG 69 OK 78 100 80 98 2.6-5.3 5981/3.0=43, 4784/3.0=38...(16) Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (6.96, 2.03, 42.48 ppm; 5.05 A increased from 4.75 A): 2 out of 6 assignments used, quality = 0.98: HZ PHE 48 + HD2 ARG 69 OK 91 96 95 100 3.5-5.6 4653/3.9=58, 2.2/4787=47...(16) HZ PHE 48 + HD3 ARG 69 OK 76 96 80 100 3.3-5.9 4653/3.9=58, ~4784=41...(16) QE PHE 35 - HD3 ARG 69 far 0 92 0 - 7.5-10.5 QE PHE 35 - HD2 ARG 69 far 0 92 0 - 7.6-10.1 HZ PHE 35 - HD3 ARG 69 far 0 93 0 - 8.6-11.9 HZ PHE 35 - HD2 ARG 69 far 0 93 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 4794 from cnoeabs.peaks (0.93, 3.74, 46.02 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: QG2 VAL 41 + HA3 GLY 72 OK 100 100 100 100 1.9-3.7 4335=99, 4336/1.8=79...(16) QG1 VAL 76 - HA3 GLY 72 far 15 97 15 - 4.2-6.1 QG2 VAL 76 - HA3 GLY 72 far 5 97 5 - 4.3-8.0 QG2 ILE 40 - HA3 GLY 72 far 0 100 0 - 5.0-7.4 HG12 ILE 68 - HA3 GLY 72 far 0 97 0 - 6.4-8.3 QD1 LEU 64 - HA3 GLY 72 far 0 73 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 4795 from cnoeabs.peaks (0.80, 3.74, 46.02 ppm; 4.23 A increased from 3.98 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 41 + HA3 GLY 72 OK 100 100 100 100 2.1-4.2 4338=98, 4339/1.8=81...(14) QG2 ILE 68 + HA3 GLY 72 OK 55 96 75 77 3.6-5.5 5056/3.0=32...(6) QD1 ILE 68 - HA3 GLY 72 far 0 90 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 4796 from cnoeabs.peaks (0.93, 3.96, 46.02 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.99: QG2 VAL 41 + HA2 GLY 72 OK 99 99 100 100 1.9-3.4 4336=98, 4335/1.8=84...(17) QG1 VAL 76 - HA2 GLY 72 poor 20 99 20 - 4.1-5.3 QG2 VAL 76 - HA2 GLY 72 far 10 99 10 - 4.1-7.9 QG2 ILE 40 - HA2 GLY 72 far 0 100 0 - 5.1-7.4 HG12 ILE 68 - HA2 GLY 72 far 0 99 0 - 5.7-8.3 QD1 LEU 64 - HA2 GLY 72 far 0 63 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 4797 from cnoeabs.peaks (0.79, 3.96, 46.02 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 41 + HA2 GLY 72 OK 100 100 100 100 2.5-3.9 4339=96, 2.1/4336=74...(15) QG2 ILE 68 + HA2 GLY 72 OK 35 93 45 82 3.2-5.3 5056/3.0=29...(8) QD1 ILE 68 - HA2 GLY 72 far 0 93 0 - 6.3-8.3 Violated in 0 structures by 0.00 A. Peak 4799 from cnoeabs.peaks (1.91, 3.74, 46.02 ppm; 5.83 A increased from 5.49 A): 1 out of 5 assignments used, quality = 0.90: HB VAL 41 + HA3 GLY 72 OK 90 90 100 100 3.5-5.8 2.1/4794=100...(12) HB ILE 68 - HA3 GLY 72 far 13 89 15 - 5.8-8.3 HG13 ILE 68 - HA3 GLY 72 far 0 97 0 - 7.1-9.1 HG12 ILE 40 - HA3 GLY 72 far 0 98 0 - 8.0-10.7 HB2 GLU 19 - HA3 GLY 72 far 0 100 0 - 8.8-23.3 Violated in 1 structures by 0.00 A. Peak 4800 from cnoeabs.peaks (4.25, 3.95, 45.26 ppm; 4.57 A increased from 4.06 A): 4 out of 18 assignments used, quality = 0.95: HA ALA 20 + HA3 GLY 21 OK 70 93 95 79 4.3-4.9 5494=40, 5494/1.8=31...(4) HA ALA 20 + HA2 GLY 21 OK 59 93 80 80 4.3-5.2 5494/1.8=38, 2.1/6114=36...(4) HA GLU 19 + HA3 GLY 18 OK 39 62 90 69 4.3-5.2 3.0/25=31, ~24=28...(7) HA GLU 19 + HA2 GLY 18 OK 38 60 90 69 4.3-5.3 3.0/25=31, ~25=28...(7) HA THR 15 - HA3 GLY 18 far 0 67 0 - 5.5-11.0 HA ALA 20 - HA3 GLY 18 far 0 58 0 - 5.6-8.0 HA ALA 20 - HA2 GLY 18 far 0 56 0 - 5.8-8.0 HA GLU 19 - HA2 GLY 21 far 0 97 0 - 6.0-8.2 HA GLU 19 - HA3 GLY 21 far 0 97 0 - 6.0-8.1 HA THR 15 - HA2 GLY 18 far 0 65 0 - 6.6-11.3 HB THR 37 - HA3 GLY 18 far 0 42 0 - 7.2-19.6 HB THR 37 - HA3 GLY 21 far 0 73 0 - 7.3-12.9 HA LYS 39 - HA3 GLY 18 far 0 67 0 - 7.6-23.2 HA LYS 39 - HA2 GLY 18 far 0 64 0 - 8.2-23.5 HB THR 37 - HA2 GLY 18 far 0 40 0 - 8.4-20.3 HB THR 37 - HA2 GLY 21 far 0 73 0 - 8.6-13.3 HA THR 15 - HA3 GLY 21 far 0 100 0 - 8.6-20.3 HA THR 15 - HA2 GLY 21 far 0 100 0 - 8.8-20.7 Violated in 0 structures by 0.00 A. Peak 4801 from cnoeabs.peaks (4.54, 3.79, 50.51 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 13 + HD2 PRO 14 OK 100 100 100 100 2.4-2.9 4817=97, 4816/1.8=70...(8) HA LEU 43 - HD2 PRO 14 far 0 98 0 - 9.6-40.7 Violated in 0 structures by 0.00 A. Peak 4802 from cnoeabs.peaks (4.52, 3.62, 50.51 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.91: HA LYS 13 + HD3 PRO 14 OK 91 92 100 99 2.0-2.3 4816=90, 4817/1.8=71...(6) HA LEU 43 - HD3 PRO 14 far 0 99 0 - 8.2-40.3 Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (0.86, 2.30, 36.07 ppm; 5.15 A increased from 4.57 A): 2 out of 5 assignments used, quality = 0.97: QD2 LEU 29 + HG3 GLU 25 OK 94 95 100 99 1.9-5.1 4165/1.8=84...(10) QD1 LEU 62 + HG3 GLU 59 OK 51 62 85 96 3.9-6.0 5365/4.2=71, 4642/1.8=61...(5) QD1 LEU 29 - HG3 GLU 25 far 8 76 10 - 3.8-7.1 QD2 LEU 64 - HG3 GLU 25 far 0 95 0 - 7.9-9.6 QD2 LEU 64 - HG3 GLU 59 far 0 68 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 4805 from cnoeabs.peaks (0.86, 4.07, 58.59 ppm; 4.25 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 29 + HA ARG 26 OK 91 92 100 99 2.0-2.2 3.1/5394=54, 3.1/5348=53...(14) QD2 LEU 29 + HA ARG 26 OK 80 81 100 99 2.0-2.0 3.1/5394=54, 3.1/5348=53...(16) QD2 LEU 29 + HA GLU 25 OK 53 57 100 94 3.5-3.8 4165/4.1=41...(13) QD1 LEU 29 - HA GLU 25 far 0 67 0 - 5.7-6.0 QD2 LEU 64 - HA GLU 25 far 0 57 0 - 6.3-6.9 QD2 LEU 64 - HA ARG 26 far 0 81 0 - 7.0-7.5 QD2 LEU 64 - HA ARG 71 far 0 67 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 4807 from cnoeabs.peaks (1.44, 4.12, 58.29 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.98: QB ALA 30 + HA ARG 27 OK 98 100 100 99 2.7-2.8 5388=94, 2.9/5386=41...(5) HG12 ILE 33 - HA ARG 27 far 0 100 0 - 6.3-7.0 QB ALA 30 - HA GLU 25 far 0 55 0 - 6.9-7.1 HG12 ILE 33 - HA GLU 25 far 0 56 0 - 7.1-7.6 QB ALA 30 - HA ARG 23 far 0 74 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (1.79, 3.79, 50.51 ppm; 5.25 A increased from 4.66 A): 1 out of 5 assignments used, quality = 1.00: HB2 LYS 13 + HD2 PRO 14 OK 100 100 100 100 2.0-5.0 4.8=100 HB2 PRO 34 - HD2 PRO 14 far 5 97 5 - 5.2-30.2 HB3 LYS 32 - HD2 PRO 14 far 0 89 0 - 6.8-27.9 HB2 LYS 32 - HD2 PRO 14 far 0 89 0 - 8.1-28.2 HB ILE 33 - HD2 PRO 14 far 0 78 0 - 9.0-26.6 Violated in 0 structures by 0.00 A. Peak 4816 from cnoeabs.peaks (3.63, 4.54, 54.13 ppm; 3.10 A): 1 out of 4 assignments used, quality = 0.94: HD3 PRO 14 + HA LYS 13 OK 94 98 100 95 2.0-2.3 4802=74, 1.8/4817=70...(5) HA ILE 40 - HA LEU 43 far 0 90 0 - 6.0-6.3 HD3 PRO 14 - HA LEU 43 far 0 88 0 - 8.2-40.3 HA ARG 69 - HA LEU 43 far 0 92 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 4817 from cnoeabs.peaks (3.79, 4.54, 54.13 ppm; 3.03 A): 1 out of 2 assignments used, quality = 0.95: HD2 PRO 14 + HA LYS 13 OK 95 97 100 98 2.4-2.9 4801=88, 1.8/4816=66...(8) HD2 PRO 14 - HA LEU 43 far 0 87 0 - 9.6-40.7 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (3.62, 1.79, 32.38 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: HD3 PRO 14 + HB2 LYS 13 OK 100 100 100 100 3.4-4.3 4820=100, 4802/3.0=84...(8) HA ILE 40 - HB3 LYS 39 far 0 82 0 - 5.3-5.6 HA ARG 69 - HB3 LYS 73 far 0 83 0 - 5.5-7.1 HA ARG 69 - HB3 LYS 75 far 0 79 0 - 7.6-10.0 HA VAL 65 - HB3 LYS 39 far 0 86 0 - 9.3-10.8 HA ARG 69 - HB3 LYS 39 far 0 89 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 4819 from cnoeabs.peaks (3.62, 1.68, 32.38 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: HD3 PRO 14 + HB3 LYS 13 OK 100 100 100 100 4.0-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (1.79, 3.62, 50.51 ppm; 4.44 A increased from 3.95 A): 1 out of 4 assignments used, quality = 1.00: HB2 LYS 13 + HD3 PRO 14 OK 100 100 100 100 3.4-4.3 4818=94, 3.0/4816=84...(8) HB3 LYS 32 - HD3 PRO 14 far 0 83 0 - 5.8-26.2 HB2 PRO 34 - HD3 PRO 14 far 0 93 0 - 6.6-29.3 HB2 LYS 32 - HD3 PRO 14 far 0 83 0 - 7.1-26.5 Violated in 0 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (1.67, 3.62, 50.51 ppm; 4.81 A): 3 out of 4 assignments used, quality = 0.95: HB3 LYS 13 + HD3 PRO 14 OK 92 92 100 100 4.0-4.8 4.8=100 HD2 LYS 13 + HD3 PRO 14 OK 27 100 30 89 3.7-7.4 3.5/4820=66, 5.4/4816=54...(4) HD3 LYS 13 + HD3 PRO 14 OK 22 100 25 90 3.0-7.1 3.5/4820=66, 5.4/4816=54...(5) HG LEU 29 - HD3 PRO 14 far 0 99 0 - 9.3-24.6 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (8.40, 3.93, 45.09 ppm; 4.45 A): 4 out of 12 assignments used, quality = 1.00: * H GLY 18 + HA2 GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 18 + HA3 GLY 18 OK 100 100 100 100 2.3-3.0 3.0=100 H GLY 21 + HA3 GLY 21 OK 56 56 100 100 2.3-3.0 2.9=100 H GLY 21 + HA2 GLY 21 OK 54 54 100 100 2.4-2.9 2.9=100 H ARG 17 - HA2 GLY 18 poor 18 73 25 - 4.7-5.8 H ARG 17 - HA3 GLY 18 poor 15 73 20 - 4.3-6.1 H GLY 21 - HA3 GLY 18 far 0 92 0 - 6.9-9.6 H GLY 21 - HA2 GLY 18 far 0 92 0 - 7.0-10.2 H GLY 18 - HA3 GLY 21 far 0 67 0 - 7.1-11.4 H GLY 18 - HA2 GLY 21 far 0 65 0 - 7.2-12.0 H ARG 17 - HA2 GLY 21 far 0 40 0 - 8.0-15.6 H ARG 17 - HA3 GLY 21 far 0 42 0 - 8.9-14.9 Violated in 0 structures by 0.00 A. Peak 4835 from cnoeabs.peaks (1.16, 2.59, 40.55 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.81: QG2 THR 37 + HB3 ASP 24 OK 81 93 100 87 3.0-5.6 4276/1.8=50, 4276=37...(6) Violated in 1 structures by 0.00 A. Peak 4836 from cnoeabs.peaks (1.77, 3.96, 54.22 ppm; 4.83 A): 1 out of 7 assignments used, quality = 1.00: HB ILE 33 + HA ALA 28 OK 100 100 100 100 3.3-4.4 4219/2.1=93, 4229=78...(13) HB2 LYS 32 - HA ALA 28 far 0 100 0 - 7.2-7.7 HB3 LYS 32 - HA ALA 28 far 0 100 0 - 7.8-8.2 HB3 ARG 17 - HA ALA 28 far 0 60 0 - 7.8-16.9 HG3 ARG 26 - HA ALA 28 far 0 73 0 - 8.3-9.3 HG2 PRO 34 - HA ALA 28 far 0 95 0 - 8.9-10.1 HB2 PRO 34 - HA ALA 28 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4837 from cnoeabs.peaks (1.89, 1.34, 17.80 ppm; 4.39 A): 0 out of 7 assignments used, quality = 0.00: HG12 ILE 40 - QB ALA 28 far 0 96 0 - 5.6-6.2 HB ILE 68 - QB ALA 28 far 0 100 0 - 5.8-6.7 HB2 ARG 26 - QB ALA 28 far 0 95 0 - 6.1-6.5 HB2 GLU 19 - QB ALA 28 far 0 89 0 - 6.2-13.1 HB3 ARG 26 - QB ALA 28 far 0 96 0 - 6.3-6.6 HB3 PRO 34 - QB ALA 28 far 0 85 0 - 7.9-8.8 HB3 PRO 14 - QB ALA 28 far 0 99 0 - 8.4-21.1 Violated in 20 structures by 0.48 A. Peak 4838 from cnoeabs.peaks (7.71, 1.34, 17.80 ppm; 6.49 A): 1 out of 2 assignments used, quality = 1.00: H MET 31 + QB ALA 28 OK 100 100 100 100 4.4-4.6 4193/2.1=100, 5086=95...(11) H ASN 42 - QB ALA 28 far 0 99 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 4839 from cnoeabs.peaks (1.34, 0.84, 23.57 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 28 + QD2 LEU 29 OK 100 100 100 100 2.9-3.3 78/550=72, 5321/3.1=66...(12) QB ALA 16 - QD2 LEU 29 poor 20 78 25 - 3.4-13.4 QB ALA 16 - QD2 LEU 86 far 0 62 0 - 7.0-43.2 HG3 LYS 32 - QD2 LEU 29 far 0 98 0 - 7.6-8.8 QB ALA 12 - QD2 LEU 29 far 0 100 0 - 8.7-19.8 Violated in 0 structures by 0.00 A. Peak 4840 from cnoeabs.peaks (1.16, 0.84, 23.57 ppm; 5.02 A increased from 4.46 A): 1 out of 5 assignments used, quality = 0.91: QG2 THR 37 + QD2 LEU 29 OK 91 99 100 93 4.4-4.8 6128/4839=69...(8) QG2 THR 15 - QD2 LEU 29 far 9 63 15 - 2.8-14.9 HG12 ILE 89 - QD2 LEU 86 far 6 64 10 - 4.6-12.8 QG2 THR 88 - QD2 LEU 86 lone 0 72 30 2 3.0-7.6 QG2 THR 15 - QD2 LEU 86 far 0 49 0 - 8.5-43.1 Violated in 0 structures by 0.00 A. Peak 4842 from cnoeabs.peaks (1.68, 4.13, 53.99 ppm; 4.70 A): 1 out of 6 assignments used, quality = 0.99: HG LEU 29 + HA ALA 30 OK 99 99 100 100 4.4-4.6 83/3.0=78, 2.1/4188=54...(13) HD3 LYS 13 - HA ALA 30 far 0 89 0 - 8.8-28.1 HB3 LYS 13 - HA ALA 30 far 0 100 0 - 8.8-28.7 HB3 LEU 64 - HA ALA 30 far 0 92 0 - 9.3-10.0 HB3 GLN 61 - HA ALA 30 far 0 76 0 - 9.5-10.5 HD2 LYS 13 - HA ALA 30 far 0 89 0 - 9.6-27.7 Violated in 0 structures by 0.00 A. Peak 4843 from cnoeabs.peaks (1.74, 1.45, 18.15 ppm; 4.91 A increased from 4.36 A): 1 out of 4 assignments used, quality = 0.73: HB2 LEU 29 + QB ALA 30 OK 73 73 100 100 4.6-4.7 4.6/553=73, ~82=54...(19) HG3 ARG 26 - QB ALA 30 far 0 99 0 - 5.7-6.4 HB3 ARG 17 - QB ALA 30 far 0 100 0 - 6.6-16.9 HB ILE 33 - QB ALA 30 far 0 63 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 4845 from cnoeabs.peaks (0.84, 2.07, 32.66 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: QD2 LEU 64 + HB3 MET 31 OK 100 100 100 100 2.8-3.4 6121/1.8=93, 4198/3.0=72...(15) QD1 LEU 43 - HB3 PRO 44 far 0 42 0 - 6.7-7.0 QD1 ILE 89 - HB3 PRO 44 far 0 21 0 - 7.8-36.8 QD2 LEU 86 - HB3 PRO 44 far 0 44 0 - 7.9-30.8 QG2 ILE 89 - HB3 PRO 44 far 0 47 0 - 8.3-36.0 QD2 LEU 29 - HB3 MET 31 far 0 100 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (0.71, 2.07, 32.66 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HB3 MET 31 OK 100 100 100 100 2.2-2.7 5322/3.0=80, 6120/1.8=80...(15) QD2 LEU 57 - HB3 MET 31 poor 20 100 20 - 5.0-5.5 Violated in 0 structures by 0.00 A. Peak 4847 from cnoeabs.peaks (0.71, 2.63, 32.57 ppm; 5.00 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HG2 MET 31 OK 100 100 100 100 3.2-3.5 5322=92, 6122/4198=81...(14) QD2 LEU 57 - HG2 MET 31 far 0 100 0 - 6.5-7.6 Violated in 0 structures by 0.00 A. Peak 4848 from cnoeabs.peaks (0.71, 2.52, 32.57 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + HG3 MET 31 OK 99 99 100 100 3.7-4.3 5322/1.8=97...(14) QD2 LEU 57 - HG3 MET 31 far 0 100 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 4849 from cnoeabs.peaks (2.73, 1.77, 36.30 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + HB ILE 33 OK 100 100 100 100 4.1-4.1 4.8=100 Violated in 0 structures by 0.00 A. Peak 4850 from cnoeabs.peaks (3.54, 1.77, 36.30 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 34 + HB ILE 33 OK 100 100 100 100 4.9-4.9 4.8=100 HD3 PRO 36 - HB ILE 33 far 0 63 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 4851 from cnoeabs.peaks (2.72, 0.71, 10.77 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 34 + QD1 ILE 33 OK 100 100 100 100 3.0-3.4 4215/1682=71...(14) Violated in 0 structures by 0.00 A. Peak 4852 from cnoeabs.peaks (1.03, 3.89, 56.86 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.90: HG3 PRO 34 + HA ILE 33 OK 90 90 100 100 4.2-4.3 2.3/4217=98, 2.3/4216=97...(14) QD1 ILE 40 - HA ILE 33 far 0 100 0 - 5.9-6.1 Violated in 0 structures by 0.00 A. Peak 4853 from cnoeabs.peaks (0.82, 1.22, 27.27 ppm; 4.07 A): 1 out of 8 assignments used, quality = 0.82: QD2 LEU 64 + HG13 ILE 33 OK 82 83 100 99 2.5-3.0 6122/2.1=82, 5029/1.8=50...(12) QG1 VAL 41 - HG2 ARG 69 poor 19 31 65 95 3.8-4.7 3.2/4342=48, ~5253=34...(16) QG2 ILE 68 - HG13 ILE 33 far 0 90 0 - 5.4-6.1 QG2 ILE 68 - HG2 ARG 69 far 0 51 0 - 5.4-6.2 QD2 LEU 29 - HG13 ILE 33 far 0 83 0 - 6.6-6.9 QD1 LEU 43 - HG2 ARG 69 far 0 62 0 - 7.1-8.7 QD1 LEU 43 - HG13 ILE 33 far 0 100 0 - 9.6-9.8 QD2 LEU 64 - HG2 ARG 69 far 0 46 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (3.94, 0.31, 17.04 ppm; 4.45 A increased from 4.19 A): 2 out of 6 assignments used, quality = 1.00: HA THR 37 + QG2 ILE 33 OK 99 100 100 99 4.1-4.5 3.2/4285=65...(7) HA ALA 28 + QG2 ILE 33 OK 85 85 100 100 4.1-4.7 2.1/5195=77, 4229/2.1=73...(11) HA GLN 61 - QG2 ILE 33 far 0 68 0 - 5.7-6.4 HA LEU 62 - QG2 ILE 33 far 0 92 0 - 5.8-6.3 HA3 GLY 18 - QG2 ILE 33 far 0 97 0 - 6.1-17.3 HA2 GLY 18 - QG2 ILE 33 far 0 97 0 - 7.2-18.2 Violated in 0 structures by 0.00 A. Peak 4857 from cnoeabs.peaks (6.84, 3.54, 50.48 ppm; 5.70 A): 1 out of 3 assignments used, quality = 0.97: HE22 GLN 61 + HD3 PRO 34 OK 97 97 100 100 3.4-4.2 4655=97, 5763/4217=80...(10) QE TYR 55 - HD3 PRO 34 far 7 68 10 - 5.7-6.6 QE TYR 55 - HD3 PRO 36 far 1 25 5 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 4858 from cnoeabs.peaks (6.84, 2.72, 50.48 ppm; 5.90 A): 2 out of 2 assignments used, quality = 0.99: HE22 GLN 61 + HD2 PRO 34 OK 97 97 100 100 3.9-5.2 4655/1.8=96...(8) QE TYR 55 + HD2 PRO 34 OK 55 68 80 100 5.7-6.3 ~4246=73, ~5565=70...(15) Violated in 0 structures by 0.00 A. Peak 4859 from cnoeabs.peaks (2.81, 1.76, 26.58 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.97: HB2 TYR 55 + HG2 PRO 34 OK 97 97 100 100 2.9-3.9 1.8/4863=82, 2.5/4246=80...(19) Violated in 0 structures by 0.00 A. Peak 4860 from cnoeabs.peaks (0.69, 1.76, 26.58 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.78: QD2 LEU 57 + HG2 PRO 34 OK 78 78 100 100 2.4-3.4 5352/1.8=68, 4603/2.3=58...(15) QD1 ILE 33 - HG2 PRO 34 far 0 87 0 - 5.1-5.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 33 + QD1 LEU 57 OK 34 100 40 85 3.4-3.9 4221=42, 3.2/4614=24...(11) Violated in 0 structures by 0.00 A. Peak 4862 from cnoeabs.peaks (3.90, 1.76, 26.58 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.92: HA ILE 33 + HG2 PRO 34 OK 92 92 100 100 4.2-4.3 4217/2.3=89, 4216/2.3=88...(13) HA LEU 51 - HG2 PRO 34 far 0 97 0 - 7.4-8.6 HA LEU 62 - HG2 PRO 34 far 0 83 0 - 8.3-9.1 HA3 GLY 18 - HG2 PRO 34 far 0 71 0 - 9.0-22.6 HA2 GLY 18 - HG2 PRO 34 far 0 73 0 - 9.4-23.9 Violated in 0 structures by 0.00 A. Peak 4863 from cnoeabs.peaks (2.94, 1.76, 26.58 ppm; 5.02 A): 1 out of 6 assignments used, quality = 1.00: HB3 TYR 55 + HG2 PRO 34 OK 100 100 100 100 2.3-3.5 1.8/4859=79, 2.5/4246=79...(18) HB3 PHE 35 - HG2 PRO 34 poor 15 60 25 - 3.9-5.6 HE3 LYS 13 - HG2 PRO 34 far 0 65 0 - 7.9-26.9 HE3 LYS 32 - HG2 PRO 34 far 0 92 0 - 8.2-12.4 HE2 LYS 13 - HG2 PRO 34 far 0 63 0 - 8.9-25.7 HE2 LYS 32 - HG2 PRO 34 far 0 93 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 4864 from cnoeabs.peaks (6.83, 1.78, 30.55 ppm; 4.40 A): 3 out of 6 assignments used, quality = 0.98: QE TYR 55 + HB2 PRO 34 OK 90 90 100 100 2.2-4.5 4667/1.8=67, 4664/2.3=63...(16) HE22 GLN 61 + HB2 LYS 32 OK 63 65 100 98 3.2-4.3 4670=78, 1.7/4667=72...(10) QE TYR 55 + HB2 ARG 54 OK 41 41 100 100 3.1-3.6 4644/1.8=81, ~4634=60...(19) HE22 GLN 61 - HB3 LYS 32 poor 13 65 20 - 4.2-5.4 HE22 GLN 61 - HB2 PRO 34 far 0 100 0 - 6.2-8.1 QE TYR 55 - HB3 LYS 32 far 0 53 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4865 from cnoeabs.peaks (0.20, 2.91, 38.77 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HB3 PHE 35 OK 100 100 100 100 3.7-4.3 4530/2.6=80, 2.1/5353=79...(15) Violated in 0 structures by 0.00 A. Peak 4866 from cnoeabs.peaks (3.69, 2.88, 38.68 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 45 + HB3 PHE 48 OK 100 100 100 100 3.8-4.0 4406=100, 4407/1.8=86...(14) HD3 PRO 44 - HB3 PHE 48 far 0 76 0 - 4.8-5.0 HD2 PRO 56 - HB3 PHE 35 far 0 61 0 - 8.6-9.5 HD3 PRO 56 - HB3 PHE 35 far 0 61 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 4867 from cnoeabs.peaks (7.38, 2.12, 32.41 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.93: H LYS 39 + HB2 PRO 36 OK 93 93 100 100 2.7-3.0 4881/1.8=75, 913/4292=74...(12) Violated in 0 structures by 0.00 A. Peak 4868 from cnoeabs.peaks (7.38, 2.10, 27.61 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.99: H LYS 39 + HG2 PRO 36 OK 92 92 100 100 2.6-2.9 4867/2.3=69, 4881/2.3=63...(15) H LYS 39 + HG3 PRO 36 OK 90 92 100 98 4.1-4.4 4867/2.3=69, 4881/2.3=63...(12) Violated in 0 structures by 0.00 A. Peak 4869 from cnoeabs.peaks (1.56, 2.10, 27.61 ppm; 3.99 A): 3 out of 9 assignments used, quality = 0.97: HD3 LYS 39 + HG3 PRO 36 OK 78 78 100 100 2.9-4.1 4261/2.3=53, 4875/2.3=40...(27) HD3 LYS 39 + HG2 PRO 36 OK 78 78 100 100 2.0-3.1 4261/2.3=53, 3.0/4893=51...(26) HD2 LYS 39 + HG2 PRO 36 OK 30 76 40 100 3.7-4.8 3.0/4893=51, 3.0/4870=48...(26) HG2 LYS 39 - HG2 PRO 36 poor 19 95 20 - 3.6-4.5 HD2 LYS 39 - HG3 PRO 36 far 0 76 0 - 4.6-5.8 HG2 LYS 39 - HG3 PRO 36 far 0 96 0 - 4.6-6.0 HB3 ARG 54 - HG3 PRO 56 far 0 67 0 - 7.7-8.7 HG3 ARG 54 - HG3 PRO 56 far 0 61 0 - 8.3-10.8 HG LEU 62 - HG3 PRO 56 far 0 72 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 4870 from cnoeabs.peaks (1.40, 2.10, 27.61 ppm; 4.65 A): 1 out of 8 assignments used, quality = 1.00: HG3 LYS 39 + HG2 PRO 36 OK 100 100 100 100 4.3-4.6 4894=98, 1.8/4893=83...(28) QB ALA 20 - HG3 PRO 36 far 0 68 0 - 5.1-15.8 QB ALA 20 - HG2 PRO 36 far 0 68 0 - 5.1-16.0 HG3 LYS 39 - HG3 PRO 36 far 0 100 0 - 5.5-5.9 HG2 LYS 13 - HG3 PRO 36 far 0 83 0 - 6.0-30.6 QB ALA 53 - HG3 PRO 56 far 0 68 0 - 7.0-9.1 HG2 LYS 13 - HG3 PRO 56 far 0 54 0 - 7.7-28.3 HG2 LYS 13 - HG2 PRO 36 far 0 83 0 - 7.7-31.6 Violated in 0 structures by 0.00 A. Peak 4871 from cnoeabs.peaks (1.81, 2.10, 27.61 ppm; 4.41 A): 2 out of 8 assignments used, quality = 0.91: HB3 LYS 39 + HG3 PRO 36 OK 71 71 100 100 3.4-3.6 4877/2.3=67, 5584/2.3=49...(21) HB3 LYS 39 + HG2 PRO 36 OK 71 71 100 100 2.0-2.1 4877/2.3=67, 2.9/4893=63...(20) HB2 LYS 13 - HG3 PRO 36 far 0 87 0 - 5.1-29.2 HB2 LYS 13 - HG2 PRO 36 far 0 87 0 - 6.8-29.6 HB2 PRO 34 - HG3 PRO 56 far 0 39 0 - 7.1-9.6 HB2 LYS 13 - HG3 PRO 56 far 0 58 0 - 7.2-30.9 HB2 PRO 34 - HG2 PRO 36 far 0 63 0 - 9.0-10.3 HB2 PRO 34 - HG3 PRO 36 far 0 63 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 4872 from cnoeabs.peaks (2.87, 2.10, 27.61 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.97: HB2 PHE 35 + HG3 PRO 36 OK 83 83 100 100 4.6-4.6 4874/2.3=92, 4260/2.3=75...(23) HB2 PHE 35 + HG2 PRO 36 OK 83 83 100 100 3.7-3.7 4874/2.3=92, 4260/2.3=75...(24) Violated in 0 structures by 0.00 A. Peak 4873 from cnoeabs.peaks (2.96, 2.10, 27.61 ppm; 5.02 A increased from 4.47 A): 5 out of 12 assignments used, quality = 0.99: HE2 LYS 39 + HG2 PRO 36 OK 92 96 95 100 3.4-5.3 3.6/4893=69, 3.6/4870=67...(18) HE3 LYS 39 + HG2 PRO 36 OK 66 94 70 100 3.9-5.5 3.6/4893=69, 3.6/4870=67...(18) HE3 LYS 39 + HG3 PRO 36 OK 47 95 50 100 4.1-6.6 ~4261=47, 5114/1.8=42...(16) HB3 TYR 55 + HG3 PRO 56 OK 39 41 95 100 4.9-6.3 ~4595=66, ~4578=65...(10) HE2 LYS 39 + HG3 PRO 36 OK 34 97 35 100 4.0-6.2 5114/1.8=50, ~4261=47...(16) HE2 LYS 13 - HG3 PRO 56 far 0 74 0 - 6.7-28.1 HE3 LYS 13 - HG3 PRO 36 far 0 100 0 - 7.3-31.1 HE3 LYS 13 - HG3 PRO 56 far 0 74 0 - 7.3-29.2 HE2 LYS 13 - HG3 PRO 36 far 0 100 0 - 7.9-30.5 HE3 LYS 13 - HG2 PRO 36 far 0 100 0 - 9.0-32.0 HE2 LYS 13 - HG2 PRO 36 far 0 100 0 - 9.6-31.5 HE3 LYS 32 - HG3 PRO 56 far 0 67 0 - 9.9-14.3 Violated in 0 structures by 0.00 A. Peak 4874 from cnoeabs.peaks (2.87, 3.57, 50.78 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.90: HB2 PHE 35 + HD3 PRO 36 OK 90 90 100 100 1.9-2.0 5570=75, 1.8/4257=67...(21) HB2 PHE 35 - HD3 PRO 34 far 0 36 0 - 7.4-7.4 Violated in 0 structures by 0.00 A. Peak 4875 from cnoeabs.peaks (1.56, 2.12, 32.41 ppm; 5.36 A): 1 out of 4 assignments used, quality = 0.78: HD3 LYS 39 + HB2 PRO 36 OK 78 78 100 100 4.1-5.3 4261/3.0=80, 3.5/4877=79...(21) HD2 LYS 39 - HB2 PRO 36 far 4 76 5 - 5.6-7.0 HG2 LYS 39 - HB2 PRO 36 far 0 96 0 - 5.9-6.3 HB3 LEU 29 - HB2 PRO 36 far 0 83 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4876 from cnoeabs.peaks (1.40, 2.12, 32.41 ppm; 6.50 A increased from 5.81 A): 1 out of 3 assignments used, quality = 0.99: HG3 LYS 39 + HB2 PRO 36 OK 99 99 100 100 6.2-6.5 2.9/4877=99, 4894/2.3=99...(22) QB ALA 20 - HB2 PRO 36 far 12 81 15 - 3.1-14.2 HG2 LYS 13 - HB2 PRO 36 far 0 71 0 - 8.2-31.0 Violated in 0 structures by 0.00 A. Peak 4877 from cnoeabs.peaks (1.80, 2.12, 32.41 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.93: HB3 LYS 39 + HB2 PRO 36 OK 93 93 100 100 3.7-4.0 5584/1.8=56, 4.0/4867=41...(18) HB2 LYS 13 - HB2 PRO 36 far 0 99 0 - 6.4-28.3 HB ILE 33 - HB2 PRO 36 far 0 63 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 4879 from cnoeabs.peaks (8.69, 2.09, 27.61 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.99: H ASP 38 + HG2 PRO 36 OK 99 99 100 100 3.9-4.7 4292/2.3=96, 4291/2.3=85...(7) H ASP 38 - HG3 PRO 36 poor 20 99 20 - 4.9-5.6 Violated in 0 structures by 0.00 A. Peak 4880 from cnoeabs.peaks (8.69, 2.45, 32.41 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.99: H ASP 38 + HB3 PRO 36 OK 99 99 100 100 4.0-4.5 4291=99, 4292/1.8=98...(6) Violated in 0 structures by 0.00 A. Peak 4881 from cnoeabs.peaks (7.38, 2.45, 32.41 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.99: H LYS 39 + HB3 PRO 36 OK 99 100 100 100 4.4-4.6 4867/1.8=79, 913/4291=72...(7) Violated in 0 structures by 0.00 A. Peak 4882 from cnoeabs.peaks (0.92, 4.22, 68.34 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.98: HG12 ILE 68 + HB THR 37 OK 95 100 95 100 3.5-5.1 4885/2.1=80, 3.2/4763=67...(12) QG2 VAL 41 + HB THR 37 OK 61 95 85 76 4.2-5.7 5598/3800=41...(4) QG2 ILE 40 - HB THR 37 far 0 99 0 - 5.0-5.9 QG1 VAL 76 - HB THR 37 far 0 100 0 - 7.8-11.7 QG2 VAL 76 - HB THR 37 far 0 100 0 - 8.4-14.0 Violated in 1 structures by 0.01 A. Peak 4884 from cnoeabs.peaks (2.11, 4.22, 68.34 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.90: HB ILE 40 + HB THR 37 OK 90 90 100 100 4.1-5.2 4271/3.0=82, 3.2/4282=73...(17) HB2 PRO 36 - HB THR 37 far 0 89 0 - 5.5-6.1 HG2 PRO 36 - HB THR 37 far 0 93 0 - 7.0-7.4 HG3 PRO 36 - HB THR 37 far 0 96 0 - 7.9-8.6 Violated in 3 structures by 0.04 A. Peak 4885 from cnoeabs.peaks (0.92, 1.17, 22.48 ppm; 4.13 A): 1 out of 8 assignments used, quality = 0.84: HG12 ILE 68 + QG2 THR 37 OK 84 100 85 99 3.4-5.6 3.2/4754=64, 2.1/4284=47...(14) QG2 VAL 41 - QG2 THR 37 far 4 87 5 - 4.3-5.5 QG2 ILE 40 - QG2 THR 37 far 0 95 0 - 5.1-5.9 QG1 VAL 76 - QG2 THR 37 far 0 100 0 - 7.6-10.8 HG LEU 51 - QG2 THR 37 far 0 71 0 - 8.5-10.2 QG2 VAL 76 - QG2 THR 37 far 0 100 0 - 8.7-12.8 QD2 LEU 43 - QG2 THR 37 far 0 63 0 - 9.2-9.7 QD2 LEU 62 - QG2 THR 37 far 0 95 0 - 9.5-12.3 Violated in 4 structures by 0.13 A. Peak 4886 from cnoeabs.peaks (4.59, 3.94, 64.91 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.81: HA PRO 36 + HA THR 37 OK 81 83 100 98 4.3-4.4 112/3.0=82, 4290/3.6=70 Violated in 0 structures by 0.00 A. Peak 4887 from cnoeabs.peaks (6.95, 4.28, 56.69 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.93: HD22 ASN 42 + HA ASP 38 OK 93 93 100 100 3.7-4.2 4357=92, 1.7/4356=66...(10) QE PHE 35 - HA ASP 38 far 0 99 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 4890 from cnoeabs.peaks (0.93, 4.28, 56.69 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.99: QG2 VAL 41 + HA ASP 38 OK 99 99 100 100 2.6-3.7 4337=90, 2.1/5355=78...(10) QG1 VAL 76 - HA ASP 38 far 0 99 0 - 5.0-8.6 QG2 ILE 40 - HA ASP 38 far 0 100 0 - 5.9-6.1 QG2 VAL 76 - HA ASP 38 far 0 99 0 - 6.1-10.8 HG12 ILE 68 - HA ASP 38 far 0 99 0 - 7.2-8.7 QD2 LEU 43 - HA ASP 38 far 0 89 0 - 7.9-8.6 QD1 LEU 64 - HA ASP 38 far 0 65 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4891 from cnoeabs.peaks (0.80, 4.28, 56.69 ppm; 4.73 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 41 + HA ASP 38 OK 99 99 100 100 4.7-5.0 2.1/5355=92, 2.1/4890=88...(8) QG2 ILE 68 + HA ASP 38 OK 56 100 95 59 4.3-5.1 1982/4890=31...(3) QD1 ILE 68 - HA ASP 38 far 0 76 0 - 6.2-7.1 QD1 LEU 43 - HA ASP 38 far 0 68 0 - 7.5-7.7 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (2.09, 1.55, 25.35 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: HG2 PRO 36 + HG2 LYS 39 OK 100 100 100 100 3.6-4.5 4870/1.8=73, 2.3/5208=56...(29) HG3 PRO 36 - HG2 LYS 39 far 5 100 5 - 4.6-6.0 Violated in 0 structures by 0.00 A. Peak 4894 from cnoeabs.peaks (2.09, 1.40, 25.35 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: HG2 PRO 36 + HG3 LYS 39 OK 100 100 100 100 4.3-4.6 4870=100, 4893/1.8=84...(28) HG3 PRO 36 - HG3 LYS 39 far 0 100 0 - 5.5-5.9 HB3 PRO 44 - HG3 LYS 39 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 4895 from cnoeabs.peaks (2.11, 1.85, 32.41 ppm; 4.58 A): 3 out of 5 assignments used, quality = 1.00: HG2 PRO 36 + HB2 LYS 39 OK 93 93 100 100 2.2-3.7 4870/2.9=61, 4893/2.9=56...(21) HG3 PRO 36 + HB2 LYS 39 OK 91 96 95 100 4.0-5.3 ~4877=55, 2.3/5104=55...(21) HB2 PRO 36 + HB2 LYS 39 OK 84 89 95 100 3.8-5.5 4877/1.8=75, 3.0/5104=50...(17) HB ILE 40 - HB2 LYS 39 far 0 90 0 - 5.2-5.5 HB ILE 40 - HB2 LYS 75 far 0 73 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 4896 from cnoeabs.peaks (0.94, 1.40, 25.35 ppm; 4.79 A): 1 out of 5 assignments used, quality = 1.00: QD2 LEU 43 + HG3 LYS 39 OK 100 100 100 100 3.2-3.4 2.1/5206=76, ~5214=61...(14) QG2 ILE 40 - HG3 LYS 39 far 0 95 0 - 6.2-6.9 QG2 VAL 41 - HG3 LYS 39 far 0 99 0 - 6.9-7.7 QG1 VAL 76 - HG3 LYS 39 far 0 78 0 - 9.6-13.8 QG2 VAL 76 - HG3 LYS 39 far 0 78 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 4897 from cnoeabs.peaks (3.94, 1.23, 28.19 ppm; 5.29 A): 1 out of 6 assignments used, quality = 1.00: HA THR 37 + HG13 ILE 40 OK 100 100 100 100 3.9-4.4 4279/2.1=100...(18) HA LEU 62 - HG13 ILE 40 far 0 93 0 - 7.5-8.1 HA ALA 28 - HG13 ILE 40 far 0 83 0 - 8.0-8.5 HA2 GLY 72 - HG13 ILE 40 far 0 71 0 - 8.5-10.8 HA GLN 61 - HG13 ILE 40 far 0 65 0 - 9.4-10.4 HA3 GLY 18 - HG13 ILE 40 far 0 98 0 - 9.6-23.7 Violated in 0 structures by 0.00 A. Peak 4899 from cnoeabs.peaks (0.81, 1.23, 28.19 ppm; 5.14 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HG13 ILE 40 OK 100 100 100 100 4.2-4.7 5249/2.1=99, 4298/3.2=94...(17) QD1 LEU 43 + HG13 ILE 40 OK 68 78 100 87 4.6-5.2 4296/1927=70...(4) QD1 ILE 68 + HG13 ILE 40 OK 65 65 100 100 4.0-5.0 5247/2.1=65, ~5249=64...(16) QG1 VAL 41 - HG13 ILE 40 far 0 96 0 - 7.4-7.5 Violated in 0 structures by 0.00 A. Peak 4900 from cnoeabs.peaks (7.62, 1.03, 14.28 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.99: H VAL 41 + QD1 ILE 40 OK 99 99 100 100 4.3-4.6 143=99, 139/3.2=90...(10) HD21 ASN 42 - QD1 ILE 40 far 0 99 0 - 7.2-8.4 HD21 ASN 74 - QD1 ILE 40 far 0 99 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 4901 from cnoeabs.peaks (7.96, 1.03, 14.28 ppm; 5.71 A): 2 out of 7 assignments used, quality = 0.88: H ARG 69 + QD1 ILE 40 OK 73 73 100 100 4.1-4.6 4.1/5249=89, 292/3.0=72...(11) H ASP 67 + QD1 ILE 40 OK 55 63 100 88 5.4-5.9 4.6/5622=56...(6) H ARG 70 - QD1 ILE 40 far 0 99 0 - 6.3-6.8 H LEU 29 - QD1 ILE 40 far 0 99 0 - 7.1-7.6 H ALA 63 - QD1 ILE 40 far 0 85 0 - 8.0-8.5 H LYS 32 - QD1 ILE 40 far 0 87 0 - 8.2-8.4 H ALA 30 - QD1 ILE 40 far 0 73 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 4903 from cnoeabs.peaks (1.26, 0.80, 21.38 ppm; 4.69 A increased from 4.41 A): 1 out of 3 assignments used, quality = 0.86: HG2 ARG 69 + QG1 VAL 41 OK 86 87 100 99 3.8-4.7 5254/3.2=53, ~5253=46...(16) QG1 VAL 65 - QG1 VAL 41 far 0 68 0 - 7.3-7.6 HG13 ILE 40 - QG1 VAL 41 far 0 65 0 - 7.4-7.5 Violated in 3 structures by 0.00 A. Peak 4904 from cnoeabs.peaks (1.49, 0.80, 21.38 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.99: HG2 LYS 73 + QG1 VAL 41 OK 99 99 100 100 2.3-3.7 5256=75, 1.8/5258=61...(16) Violated in 0 structures by 0.00 A. Peak 4907 from cnoeabs.peaks (2.67, 0.94, 22.80 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.97: HB2 ASP 47 + QD2 LEU 43 OK 97 97 100 100 2.1-3.2 1.8/4389=70, 4446=69...(20) HB2 ASP 46 - QD2 LEU 43 far 0 76 0 - 6.6-7.6 HB3 ASN 49 - QD2 LEU 43 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 4909 from cnoeabs.peaks (2.98, 0.94, 22.80 ppm; 5.04 A increased from 4.74 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + QD2 LEU 43 OK 99 99 100 100 2.8-5.2 ~5214=66, 3.6/4896=65...(14) HE2 LYS 39 + QD2 LEU 43 OK 89 99 90 100 2.6-5.4 ~5214=66, 3.6/4896=65...(14) HE2 LYS 13 - QD2 LEU 43 far 4 87 5 - 3.6-31.7 HE3 LYS 13 - QD2 LEU 43 far 4 85 5 - 5.0-32.3 Violated in 0 structures by 0.00 A. Peak 4912 from cnoeabs.peaks (2.66, 1.44, 42.41 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 47 + HB3 LEU 43 OK 100 100 100 100 3.1-3.8 4442=100, 1.8/4380=81...(19) HB3 ASN 49 - HB3 LEU 43 far 0 95 0 - 8.8-9.3 Violated in 0 structures by 0.00 A. Peak 4913 from cnoeabs.peaks (2.90, 0.83, 26.57 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.92: HB3 PHE 48 + QD1 LEU 43 OK 92 92 100 100 3.7-4.0 3.0/5295=86, 2.5/4370=85...(19) HB3 PHE 35 - QD1 LEU 43 far 0 93 0 - 5.3-5.8 HB2 ASN 49 - QD1 LEU 43 far 0 100 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 4914 from cnoeabs.peaks (2.66, 0.83, 26.57 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 47 + QD1 LEU 43 OK 99 99 100 100 2.5-4.4 4447=93, 1.8/4449=82...(18) HB3 ASN 49 - QD1 LEU 43 far 0 87 0 - 7.9-8.4 Violated in 1 structures by 0.00 A. Peak 4916 from cnoeabs.peaks (0.17, 0.94, 22.80 ppm; 4.67 A increased from 4.39 A): 1 out of 1 assignment used, quality = 0.88: QD2 LEU 51 + QD2 LEU 43 OK 88 89 100 99 4.0-4.7 4917/2.1=95, 5641/2.1=53...(10) Violated in 2 structures by 0.00 A. Peak 4917 from cnoeabs.peaks (0.18, 0.83, 26.57 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 51 + QD1 LEU 43 OK 94 96 100 98 1.8-2.5 4520=78, 4916/2.1=40...(16) Violated in 0 structures by 0.00 A. Peak 4918 from cnoeabs.peaks (7.26, 0.94, 22.80 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.97: H ASP 47 + QD2 LEU 43 OK 97 97 100 100 4.4-4.9 638/4389=81, 637/4907=76...(12) HE ARG 54 - QD2 LEU 43 far 0 99 0 - 5.8-9.0 H ILE 40 - QD2 LEU 43 far 0 92 0 - 6.3-6.5 Violated in 0 structures by 0.00 A. Peak 4919 from cnoeabs.peaks (7.08, 0.94, 22.80 ppm; 6.02 A increased from 5.07 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 48 + QD2 LEU 43 OK 98 98 100 100 5.7-5.8 4370/2.1=96, 5639/3.1=78...(15) Violated in 0 structures by 0.00 A. Peak 4921 from cnoeabs.peaks (7.07, 1.72, 42.41 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + HB2 LEU 43 OK 100 100 100 100 3.6-4.0 2.5/4475=85, 4370/3.1=84...(14) Violated in 0 structures by 0.00 A. Peak 4924 from cnoeabs.peaks (1.71, 3.67, 50.94 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.97: HB2 LEU 43 + HD3 PRO 44 OK 97 97 100 100 3.9-4.0 4.8=100 Violated in 0 structures by 0.00 A. Peak 4925 from cnoeabs.peaks (1.71, 4.04, 50.94 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.93: HB2 LEU 43 + HD2 PRO 44 OK 93 93 100 100 4.8-4.9 4.8=100 HB3 LYS 85 - HD2 PRO 44 far 0 96 0 - 9.5-35.5 HB3 LYS 13 - HD2 PRO 44 far 0 60 0 - 9.6-41.1 Violated in 0 structures by 0.00 A. Peak 4929 from cnoeabs.peaks (6.03, 1.07, 22.09 ppm; 6.50 A): 0 out of 0 assignments used, quality = 0.00: Peak 4930 from cnoeabs.peaks (7.27, 3.69, 66.64 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: H ASP 47 + HA VAL 45 OK 100 100 100 100 5.1-5.2 919/3.5=96, 4424/3.2=80...(8) Violated in 0 structures by 0.00 A. Peak 4934 from cnoeabs.peaks (2.37, 4.39, 56.46 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLU 50 + HA ASP 47 OK 100 100 100 100 4.0-4.8 4511=100, 3.0/4439=100...(7) Violated in 0 structures by 0.00 A. Peak 4935 from cnoeabs.peaks (0.83, 3.13, 38.68 ppm; 5.22 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 43 + HB2 PHE 48 OK 100 100 100 100 4.9-5.2 5295/3.0=91, 4370/2.5=91...(19) QG2 ILE 68 - HB2 PHE 48 far 0 81 0 - 8.5-9.3 QD1 ILE 89 - HB2 PHE 48 far 0 85 0 - 9.8-37.7 Violated in 0 structures by 0.00 A. Peak 4936 from cnoeabs.peaks (2.05, 3.13, 38.68 ppm; 5.88 A): 4 out of 6 assignments used, quality = 1.00: HG2 PRO 44 + HB2 PHE 48 OK 97 100 100 97 5.3-5.4 4457/641=81...(3) HB VAL 45 + HB2 PHE 48 OK 85 85 100 100 5.0-5.3 3.0/4455=95, 2.1/4409=95...(10) HD2 ARG 69 + HB2 PHE 48 OK 69 90 90 85 3.3-6.7 5823/2.5=46, 4787/4.4=37...(5) HD3 ARG 69 + HB2 PHE 48 OK 60 90 80 82 4.1-7.1 ~5823=40, 5823/2.5=38...(5) HB2 GLU 50 - HB2 PHE 48 far 0 99 0 - 6.5-7.2 HB3 GLU 50 - HB2 PHE 48 far 0 99 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. 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 99 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 4938 from cnoeabs.peaks (1.39, 2.37, 36.01 ppm; 5.77 A increased from 5.44 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 53 + HG2 GLU 50 OK 100 100 100 100 4.4-5.4 4962/3.7=95, 5699/3.0=89...(5) QB ALA 53 - HG2 GLU 59 far 0 62 0 - 9.7-12.2 HG3 LYS 39 - HG2 GLU 50 far 0 90 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 4941 from cnoeabs.peaks (7.42, 3.96, 59.12 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: H LEU 64 + HA GLN 61 OK 97 97 100 100 3.3-3.6 4687=96, 729/4695=53...(10) H LEU 52 + HA GLU 50 OK 92 98 100 94 3.8-4.4 193/3.6=65, 200/4549=62 Violated in 0 structures by 0.00 A. Peak 4942 from cnoeabs.peaks (7.54, 2.37, 36.01 ppm; 5.43 A increased from 5.11 A): 1 out of 2 assignments used, quality = 0.97: H LEU 51 + HG2 GLU 50 OK 97 97 100 100 3.7-5.5 192/1.8=89, 923/655=84...(7) H ARG 54 - HG2 GLU 50 far 14 97 15 - 4.8-7.3 Violated in 2 structures by 0.00 A. Peak 4944 from cnoeabs.peaks (7.72, 3.89, 57.93 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: H GLU 50 + HA LEU 51 OK 100 100 100 100 4.9-5.1 923/3.0=98, 5670/3.0=79...(7) Violated in 0 structures by 0.00 A. Peak 4945 from cnoeabs.peaks (6.81, 3.89, 57.93 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 55 + HA LEU 51 OK 100 100 100 100 3.7-4.1 5719=100, 4533/2245=95...(13) Violated in 0 structures by 0.00 A. Peak 4946 from cnoeabs.peaks (7.68, 0.62, 23.89 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.94: H TYR 55 + QD1 LEU 51 OK 94 95 100 100 4.0-4.8 212/4517=67...(8) Violated in 0 structures by 0.00 A. Peak 4948 from cnoeabs.peaks (2.98, 0.19, 24.73 ppm; 5.50 A increased from 5.17 A): 2 out of 3 assignments used, quality = 1.00: HE2 LYS 39 + QD2 LEU 51 OK 98 98 100 100 2.7-5.6 3.6/6087=65, 4.7/5204=60...(11) HE3 LYS 39 + QD2 LEU 51 OK 94 99 95 100 2.2-6.1 3.6/6087=65, 4.7/5204=60...(11) HE2 LYS 13 - QD2 LEU 51 far 0 85 0 - 9.1-27.7 Violated in 0 structures by 0.00 A. Peak 4949 from cnoeabs.peaks (2.05, 0.62, 23.89 ppm; 6.16 A increased from 5.48 A): 2 out of 7 assignments used, quality = 0.95: HB3 GLU 50 + QD1 LEU 51 OK 78 97 85 95 5.4-6.6 4.7/663=81, 5679/2245=45...(4) HB2 GLU 50 + QD1 LEU 51 OK 78 97 85 94 5.4-6.8 4.7/663=81, 5679/2245=39...(4) HD2 ARG 69 - QD1 LEU 51 far 0 83 0 - 8.0-10.8 HG2 PRO 44 - QD1 LEU 51 far 0 100 0 - 8.1-8.5 HD3 ARG 69 - QD1 LEU 51 far 0 83 0 - 8.3-11.3 HG2 PRO 56 - QD1 LEU 51 far 0 95 0 - 8.6-9.5 HB3 PRO 56 - QD1 LEU 51 far 0 85 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 4950 from cnoeabs.peaks (2.03, 1.32, 41.26 ppm; 5.53 A): 2 out of 13 assignments used, quality = 0.97: HB2 GLU 50 + HB2 LEU 51 OK 83 99 85 99 4.6-5.9 4.7/659=82, 654/5676=74...(7) HB3 GLU 50 + HB2 LEU 51 OK 83 99 85 99 5.2-6.3 4.7/659=82, 3.9/5676=67...(7) HG2 ARG 66 - HB2 LEU 52 poor 17 39 65 66 5.5-6.7 ~5970=51, ~4555=19, 4956/3.1=13 HB3 PRO 56 - HB2 LEU 52 far 0 61 0 - 7.3-10.1 HG2 PRO 44 - HB2 LEU 51 far 0 93 0 - 7.4-7.8 HD2 ARG 69 - HB2 LEU 51 far 0 100 0 - 7.6-11.1 HD3 ARG 69 - HB2 LEU 51 far 0 100 0 - 7.9-11.6 HB3 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.2-8.7 HB2 GLU 50 - HB2 LEU 52 far 0 59 0 - 8.3-8.9 HG2 PRO 56 - HB2 LEU 52 far 0 60 0 - 9.0-10.5 HD3 ARG 69 - HB2 LEU 52 far 0 60 0 - 9.0-12.4 HD2 ARG 69 - HB2 LEU 52 far 0 60 0 - 9.1-11.6 HG2 ARG 66 - HB2 LEU 51 far 0 76 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 4951 from cnoeabs.peaks (0.91, 1.47, 40.92 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.78: QD2 LEU 62 + HB3 LEU 52 OK 78 78 100 100 3.1-4.5 5004/1.8=76, 5005=75...(15) HG LEU 51 - HB3 LEU 52 far 0 90 0 - 5.5-6.1 QG2 ILE 40 - HB3 LEU 52 far 0 78 0 - 7.6-7.8 Violated in 0 structures by 0.00 A. Peak 4952 from cnoeabs.peaks (0.90, 0.51, 22.90 ppm; 3.82 A increased from 3.40 A): 2 out of 3 assignments used, quality = 0.94: HG LEU 51 + QD2 LEU 52 OK 84 100 100 85 3.4-4.1 197/670=40, 4564/6096=26...(8) QD1 LEU 62 + QD2 LEU 52 OK 61 76 80 100 3.3-4.3 2.1/5237=70, ~4680=43...(18) HG12 ILE 68 - QD2 LEU 52 far 0 73 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 4953 from cnoeabs.peaks (1.60, 0.51, 22.90 ppm; 4.67 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 62 + QD2 LEU 52 OK 97 97 100 100 3.4-4.2 3.1/5237=78, 3.0/4547=69...(17) HB3 LEU 51 + QD2 LEU 52 OK 96 100 100 96 3.7-4.2 196/670=73, 3.0/4952=46...(6) HG3 ARG 54 - QD2 LEU 52 far 0 76 0 - 6.8-9.0 HD2 LYS 39 - QD2 LEU 52 far 0 90 0 - 7.5-10.0 HD3 LYS 39 - QD2 LEU 52 far 0 89 0 - 8.2-9.8 HG3 ARG 70 - QD2 LEU 52 far 0 95 0 - 9.0-11.6 HG2 ARG 71 - QD2 LEU 52 far 0 83 0 - 9.8-12.2 HD3 LYS 73 - QD2 LEU 52 far 0 97 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 4954 from cnoeabs.peaks (1.75, 0.51, 22.90 ppm; 5.36 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 62 + QD2 LEU 52 OK 100 100 100 100 4.4-5.1 3.1/5237=91, 3.0/4547=84...(17) HB2 LEU 57 + QD2 LEU 52 OK 81 81 100 100 3.8-4.3 3.1/4554=96, 3.1/5751=71...(13) HB2 ARG 54 - QD2 LEU 52 far 0 83 0 - 6.0-6.7 HG2 PRO 34 - QD2 LEU 52 far 0 93 0 - 6.6-7.3 HB2 LEU 43 - QD2 LEU 52 far 0 81 0 - 7.0-7.8 HB ILE 33 - QD2 LEU 52 far 0 76 0 - 7.9-8.5 HB2 LYS 32 - QD2 LEU 52 far 0 63 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 4955 from cnoeabs.peaks (2.38, 0.51, 22.90 ppm; 5.14 A): 1 out of 3 assignments used, quality = 0.97: HB VAL 65 + QD2 LEU 52 OK 97 97 100 100 1.9-3.0 2.1/4728=94, 2.1/4726=94...(12) HG2 GLU 50 - QD2 LEU 52 far 0 99 0 - 7.8-9.4 HG2 GLU 59 - QD2 LEU 52 far 0 81 0 - 8.0-9.7 Violated in 0 structures by 0.00 A. Peak 4956 from cnoeabs.peaks (2.00, 0.44, 24.59 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.91: HG2 ARG 66 + QD1 LEU 52 OK 91 96 100 95 2.7-3.6 1.8/5970=68...(5) HB2 LEU 64 - QD1 LEU 52 far 0 65 0 - 7.7-8.8 QE MET 31 - QD1 LEU 52 far 0 98 0 - 8.3-9.4 HG LEU 43 - QD1 LEU 52 far 0 97 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 4957 from cnoeabs.peaks (3.92, 0.44, 24.59 ppm; 5.33 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 62 + QD1 LEU 52 OK 100 100 100 100 3.9-5.2 4547/2.1=93...(9) HA LEU 51 - QD1 LEU 52 far 0 68 0 - 6.4-6.5 HA THR 37 - QD1 LEU 52 far 0 89 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 4958 from cnoeabs.peaks (1.59, 0.44, 24.59 ppm; 5.55 A): 3 out of 8 assignments used, quality = 1.00: HB3 LEU 62 + QD1 LEU 52 OK 100 100 100 100 3.5-4.7 3.1/4680=94, 3.0/4957=74...(16) HB3 LEU 51 + QD1 LEU 52 OK 96 97 100 99 4.7-4.9 196/669=86, 4964/3866=56...(7) HG LEU 62 + QD1 LEU 52 OK 78 78 100 100 3.6-4.4 2.1/4680=100, ~5237=81...(15) HG3 ARG 54 - QD1 LEU 52 far 0 96 0 - 7.4-9.8 HG3 ARG 70 - QD1 LEU 52 far 0 73 0 - 8.2-11.2 HD3 LYS 73 - QD1 LEU 52 far 0 78 0 - 9.4-13.9 HD2 LYS 39 - QD1 LEU 52 far 0 100 0 - 9.4-11.5 HD2 LYS 73 - QD1 LEU 52 far 0 78 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 4959 from cnoeabs.peaks (7.07, 0.44, 24.59 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QD1 LEU 52 OK 100 100 100 100 3.8-4.1 2.2/4538=81, 5361/2.1=69...(13) Violated in 0 structures by 0.00 A. Peak 4962 from cnoeabs.peaks (3.97, 1.39, 18.28 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.94: HA GLU 50 + QB ALA 53 OK 94 98 100 95 2.7-2.8 4502=74, 4549/673=48...(9) HA VAL 76 - QB ALA 78 far 3 58 5 - 3.6-4.9 HA2 GLY 72 - QB ALA 78 far 0 55 0 - 8.1-11.1 HA ARG 70 - QB ALA 78 far 0 29 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 4967 from cnoeabs.peaks (1.40, 4.01, 57.13 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 53 + HA ARG 54 OK 99 100 100 99 3.7-4.0 209/3.0=77, 4.9=68...(8) Violated in 0 structures by 0.00 A. Peak 4968 from cnoeabs.peaks (7.33, 1.31, 27.15 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 55 + HG2 ARG 54 OK 99 99 100 100 4.8-5.3 4634/3.0=94, 5950/1.8=84...(26) Violated in 0 structures by 0.00 A. Peak 4969 from cnoeabs.peaks (6.80, 1.31, 27.15 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.96: QE TYR 55 + HG2 ARG 54 OK 96 96 100 100 4.7-5.3 4644/3.0=89, 4690/3.0=80...(18) Violated in 1 structures by 0.00 A. Peak 4970 from cnoeabs.peaks (6.80, 1.55, 30.94 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.95: QE TYR 55 + HB3 ARG 54 OK 95 95 100 100 2.8-3.2 2.2/4634=97, 4644=95...(19) Violated in 0 structures by 0.00 A. Peak 4971 from cnoeabs.peaks (3.70, 7.34, 134.10 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 56 + QD TYR 55 OK 100 100 100 100 3.0-4.2 4.6=100 HD3 PRO 56 + QD TYR 55 OK 100 100 100 100 4.2-5.1 4.6=100 Violated in 0 structures by 0.00 A. Peak 4972 from cnoeabs.peaks (6.94, 2.80, 40.22 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 35 + HB2 TYR 55 OK 100 100 100 100 2.5-3.1 4572=98, 4628/2.5=87...(15) HZ PHE 35 - HB2 TYR 55 far 10 100 10 - 4.6-5.3 HZ PHE 48 - HB2 TYR 55 far 0 99 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 4975 from cnoeabs.peaks (6.93, 2.94, 40.22 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.98: QE PHE 35 + HB3 TYR 55 OK 98 98 100 100 2.9-4.4 4628/2.5=97, 4572/1.8=95...(15) HZ PHE 35 - HB3 TYR 55 far 5 97 5 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 4976 from cnoeabs.peaks (6.93, 7.34, 134.10 ppm; 5.88 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 35 + QD TYR 55 OK 98 98 100 100 2.9-3.7 2.2/4629=100, 4658=96...(18) HZ PHE 35 + QD TYR 55 OK 97 97 100 100 5.0-5.6 2.2/4658=98, 3.8/4629=91...(15) HZ PHE 48 - QD TYR 55 far 0 96 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4977 from cnoeabs.peaks (4.89, 3.70, 50.06 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: HA TYR 55 + HD2 PRO 56 OK 94 98 100 96 1.9-2.3 3.8=58, 4555/4630=36...(10) HA TYR 55 + HD3 PRO 56 OK 94 98 100 95 2.3-2.6 3.8=58, 4576/1.8=36...(11) Violated in 0 structures by 0.00 A. Peak 4981 from cnoeabs.peaks (3.93, 1.77, 44.00 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.97: HA LEU 62 + HB2 LEU 57 OK 97 97 100 100 3.1-4.1 4.3/2333=85, 6069/3.1=82...(14) Violated in 0 structures by 0.00 A. Peak 4982 from cnoeabs.peaks (1.56, 1.77, 44.00 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: HG LEU 62 + HB2 LEU 57 OK 100 100 100 100 2.4-2.6 2333=96, 4983/1.8=69...(10) HB3 LEU 62 - HB2 LEU 57 far 0 73 0 - 4.5-5.1 HB3 ARG 54 - HB2 LEU 57 far 0 90 0 - 8.7-10.3 HG3 ARG 54 - HB2 LEU 57 far 0 96 0 - 9.5-12.1 HG LEU 64 - HB2 LEU 57 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 4983 from cnoeabs.peaks (1.57, 1.47, 44.00 ppm; 4.29 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 62 + HB3 LEU 57 OK 100 100 100 100 3.2-3.9 2333/1.8=99, 2.1/4599=63...(9) HB3 LEU 62 - HB3 LEU 57 far 0 83 0 - 4.9-6.0 HG LEU 64 - HB3 LEU 57 far 0 63 0 - 8.7-9.4 HB3 ARG 54 - HB3 LEU 57 far 0 83 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 4985 from cnoeabs.peaks (1.65, 0.71, 23.03 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.96: HB3 GLN 61 + QD2 LEU 57 OK 96 96 100 100 2.7-3.0 1.8/4602=68, 4624/230=48...(18) HD3 LYS 13 - QD2 LEU 57 far 0 87 0 - 6.2-25.0 HD2 LYS 13 - QD2 LEU 57 far 0 87 0 - 6.8-24.1 HG3 ARG 17 - QD2 LEU 57 far 0 63 0 - 8.6-20.2 HG2 ARG 17 - QD2 LEU 57 far 0 60 0 - 8.9-20.0 Violated in 0 structures by 0.00 A. Peak 4986 from cnoeabs.peaks (1.35, 1.00, 27.02 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.96: HB2 LEU 52 + QD1 LEU 57 OK 96 97 100 100 3.2-4.3 3.1/4613=75, 3.0/4551=72...(9) HB2 LEU 51 - QD1 LEU 57 far 0 71 0 - 6.1-6.9 QB ALA 28 - QD1 LEU 57 far 0 99 0 - 6.8-7.3 QB ALA 16 - QD1 LEU 57 far 0 95 0 - 8.2-19.6 HG3 LYS 32 - QD1 LEU 57 far 0 87 0 - 8.7-10.0 HG3 ARG 69 - QD1 LEU 57 far 0 57 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 4987 from cnoeabs.peaks (1.21, 1.00, 27.02 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + QD1 LEU 57 OK 99 100 100 99 1.9-2.4 4611/2.1=49...(16) QG1 VAL 65 + QD1 LEU 57 OK 79 83 100 96 3.0-3.4 2.1/4707=39...(15) HG LEU 52 - QD1 LEU 57 far 0 89 0 - 4.3-4.6 HG13 ILE 40 - QD1 LEU 57 far 0 85 0 - 5.4-5.9 HG13 ILE 33 - QD1 LEU 57 far 0 99 0 - 5.5-6.0 QG2 THR 15 - QD1 LEU 57 far 0 81 0 - 7.0-18.5 Violated in 0 structures by 0.00 A. Peak 4988 from cnoeabs.peaks (7.45, 0.71, 23.03 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.97: HE21 GLN 61 + QD2 LEU 57 OK 97 97 100 100 1.9-3.2 1.7/4615=86, 4.6/4985=64...(12) H LEU 64 - QD2 LEU 57 far 0 60 0 - 6.6-7.2 H LEU 52 - QD2 LEU 57 far 0 85 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. Peak 4989 from cnoeabs.peaks (7.32, 0.71, 23.03 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.81: QD TYR 55 + QD2 LEU 57 OK 81 81 100 100 4.1-4.4 2.5/4587=90, 2.5/4604=90...(18) Violated in 0 structures by 0.00 A. Peak 4990 from cnoeabs.peaks (4.67, 0.71, 23.03 ppm; 5.77 A): 1 out of 1 assignment used, quality = 0.98: HA PRO 56 + QD2 LEU 57 OK 98 99 100 99 4.9-5.4 218/693=97, 4.8/6132=63 Violated in 0 structures by 0.00 A. Peak 4991 from cnoeabs.peaks (4.43, 4.04, 60.18 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: HA THR 58 + HA GLU 59 OK 100 100 100 100 4.3-4.3 233/2.9=99, 4631=96...(7) Violated in 0 structures by 0.00 A. Peak 4995 from cnoeabs.peaks (1.48, 4.28, 61.17 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.94: QB ALA 63 + HA SER 60 OK 94 100 100 94 3.1-3.3 4689=76, 726/4647=42...(7) HB3 LEU 57 - HA SER 60 far 0 93 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 4996 from cnoeabs.peaks (2.10, 3.84, 62.16 ppm; 5.80 A increased from 5.46 A): 5 out of 6 assignments used, quality = 0.96: HB2 GLU 59 + HB2 SER 60 OK 73 99 85 87 4.5-6.4 4626/4633=53, 238/3.8=43...(4) HB3 GLU 59 + HB2 SER 60 OK 64 99 90 72 4.9-6.4 239/3.8=40, ~4997=31 HB3 GLU 59 + HB3 SER 60 OK 28 99 40 72 5.0-6.8 239/3.8=40, ~4997=31 HB2 GLU 59 + HB3 SER 60 OK 22 99 30 73 4.7-7.2 239/3.8=43, ~4997=37 HB3 MET 31 + HB3 SER 60 OK 21 60 70 50 5.0-6.9 4.3/5078=49 HB3 MET 31 - HB2 SER 60 poor 19 60 75 42 5.2-7.0 4.3/4651=41 Violated in 0 structures by 0.00 A. Peak 4997 from cnoeabs.peaks (2.08, 4.28, 61.17 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.87: HB3 GLU 59 + HA SER 60 OK 69 95 100 73 4.0-4.8 238/3.0=34, ~239=27...(6) HB2 GLU 59 + HA SER 60 OK 58 95 85 72 4.7-5.6 238/3.0=36, ~239=25...(6) HB3 MET 31 - HA SER 60 far 0 99 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 4998 from cnoeabs.peaks (2.38, 3.92, 57.93 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 65 + HA LEU 62 OK 100 100 100 100 2.7-3.3 4721=93, 2.1/4999=73...(11) HG2 GLU 59 - HA LEU 62 far 0 93 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 4999 from cnoeabs.peaks (1.22, 3.92, 57.93 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 65 + HA LEU 62 OK 100 100 100 100 2.0-2.1 4722=98, 2.1/4998=62...(16) QG1 VAL 65 - HA LEU 62 far 0 92 0 - 4.0-4.2 HG LEU 52 - HA LEU 62 far 0 78 0 - 5.5-6.8 HG13 ILE 40 - HA LEU 62 far 0 93 0 - 7.5-8.1 HG13 ILE 33 - HA LEU 62 far 0 100 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 5001 from cnoeabs.peaks (2.37, 0.93, 24.73 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.94: HB VAL 65 + QD2 LEU 62 OK 87 87 100 100 3.4-5.1 4998/2593=73...(9) HG2 GLU 59 + QD2 LEU 62 OK 51 63 90 91 4.5-7.0 4.2/5364=70, 4642/2.1=46...(4) HG2 GLU 50 - QD2 LEU 62 far 0 100 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 5002 from cnoeabs.peaks (1.21, 0.93, 24.73 ppm; 4.70 A increased from 3.76 A): 2 out of 7 assignments used, quality = 1.00: QG2 VAL 65 + QD2 LEU 62 OK 100 100 100 100 3.7-4.7 5006/2.1=77...(11) HG LEU 52 + QD2 LEU 62 OK 89 89 100 100 3.7-4.9 2.1/4680=92, 2.1/5237=92...(13) QG1 VAL 65 - QD2 LEU 62 far 12 83 15 - 4.1-5.3 HG13 ILE 40 - QD2 LEU 62 far 0 85 0 - 7.6-9.0 HG13 ILE 33 - QD2 LEU 62 far 0 99 0 - 9.2-10.1 HG2 ARG 69 - QD2 LEU 62 far 0 63 0 - 9.6-11.4 QG2 THR 15 - QD2 LEU 62 far 0 81 0 - 9.9-22.3 Violated in 0 structures by 0.00 A. Peak 5004 from cnoeabs.peaks (1.33, 0.93, 24.73 ppm; 4.13 A): 1 out of 4 assignments used, quality = 0.98: HB2 LEU 52 + QD2 LEU 62 OK 98 99 100 100 1.9-3.2 1.8/5005=76, 3.1/4680=65...(13) QG2 THR 58 - QD2 LEU 62 far 0 92 0 - 6.2-7.2 HB2 LEU 51 - QD2 LEU 62 far 0 99 0 - 7.9-9.0 HG2 ARG 54 - QD2 LEU 62 far 0 81 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 5005 from cnoeabs.peaks (1.49, 0.93, 24.73 ppm; 4.13 A): 1 out of 3 assignments used, quality = 0.91: HB3 LEU 52 + QD2 LEU 62 OK 91 96 95 100 3.1-4.5 1.8/5004=76, 3.1/4680=65...(15) HB3 LEU 57 - QD2 LEU 62 far 0 89 0 - 4.5-5.0 QB ALA 63 - QD2 LEU 62 far 0 100 0 - 4.8-5.6 Violated in 1 structures by 0.02 A. Peak 5006 from cnoeabs.peaks (1.20, 0.87, 24.45 ppm; 4.42 A increased from 3.93 A): 1 out of 10 assignments used, quality = 0.96: QG2 VAL 65 + QD1 LEU 62 OK 96 98 100 97 4.2-4.3 4722/2600=68, ~5238=37...(11) QG2 THR 15 - QD1 LEU 29 far 5 94 5 - 3.5-17.0 HG LEU 52 - QD1 LEU 62 far 0 99 0 - 5.2-6.6 QG1 VAL 65 - QD1 LEU 62 far 0 60 0 - 5.3-5.8 HG13 ILE 33 - QD1 LEU 29 far 0 88 0 - 7.9-8.1 QG2 THR 15 - QD1 LEU 86 far 0 82 0 - 8.0-44.9 QG2 THR 15 - QD1 LEU 62 far 0 96 0 - 8.0-21.2 HG13 ILE 33 - QD1 LEU 62 far 0 90 0 - 8.6-9.2 HG13 ILE 40 - QD1 LEU 62 far 0 63 0 - 8.8-9.5 QG2 VAL 65 - QD1 LEU 29 far 0 96 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 5007 from cnoeabs.peaks (2.05, 0.87, 24.45 ppm; 5.57 A): 2 out of 14 assignments used, quality = 1.00: HB3 GLU 25 + QD1 LEU 29 OK 97 99 100 98 4.5-5.6 ~4165=57, 4.7/5367=41...(11) HB2 GLU 25 + QD1 LEU 29 OK 87 99 90 98 5.5-6.3 ~4165=57, 4.7/5367=41...(11) HB3 GLU 19 - QD1 LEU 29 poor 18 90 20 - 3.0-13.3 HB2 GLU 87 - QD1 LEU 86 lone 1 65 50 2 4.4-8.1 HB3 PRO 56 - QD1 LEU 62 far 0 78 0 - 6.0-6.8 HG2 PRO 56 - QD1 LEU 62 far 0 90 0 - 6.8-7.2 HB3 MET 31 - QD1 LEU 62 far 0 89 0 - 6.9-8.5 HB3 GLN 91 - QD1 LEU 86 far 0 81 0 - 7.9-16.1 HB VAL 45 - QD1 LEU 86 far 0 82 0 - 8.0-30.3 HB3 MET 31 - QD1 LEU 29 far 0 86 0 - 8.3-8.5 HB VAL 76 - QD1 LEU 86 far 0 86 0 - 8.3-25.4 HG2 PRO 44 - QD1 LEU 86 far 0 88 0 - 9.0-34.0 HB3 GLU 50 - QD1 LEU 62 far 0 95 0 - 9.2-11.7 HB2 GLU 50 - QD1 LEU 62 far 0 95 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 5008 from cnoeabs.peaks (1.69, 1.49, 17.50 ppm; 4.56 A): 1 out of 4 assignments used, quality = 0.95: HB3 LEU 64 + QB ALA 63 OK 95 97 100 98 4.0-4.1 730/263=76, 3.1/4681=47...(9) HG3 ARG 66 - QB ALA 63 far 15 99 15 - 4.5-6.3 HB3 GLN 61 - QB ALA 63 far 0 63 0 - 6.1-6.4 HG2 ARG 70 - QB ALA 63 far 0 81 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 5009 from cnoeabs.peaks (1.94, 1.49, 17.50 ppm; 4.88 A): 1 out of 6 assignments used, quality = 1.00: HB3 ARG 66 + QB ALA 63 OK 100 100 100 100 4.1-4.5 4684/2.1=83, ~5369=56...(13) HG13 ILE 68 - QB ALA 63 far 0 90 0 - 7.0-7.4 HB2 MET 31 - QB ALA 63 far 0 100 0 - 7.5-7.9 HB3 ARG 70 - QB ALA 63 far 0 92 0 - 8.3-10.8 HG LEU 57 - QB ALA 63 far 0 92 0 - 9.0-9.4 HB2 ARG 70 - QB ALA 63 far 0 92 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 5012 from cnoeabs.peaks (7.96, 0.95, 23.35 ppm; 4.65 A): 0 out of 6 assignments used, quality = 0.00: H ALA 30 - QD1 LEU 64 far 0 78 0 - 5.4-6.0 H LEU 29 - QD1 LEU 64 far 0 98 0 - 6.2-6.7 H LYS 32 - QD1 LEU 64 far 0 83 0 - 6.2-6.9 H ALA 63 - QD1 LEU 64 far 0 89 0 - 6.5-6.6 H ARG 69 - QD1 LEU 64 far 0 78 0 - 6.8-6.9 H ARG 70 - QD1 LEU 64 far 0 99 0 - 7.9-8.5 Violated in 20 structures by 0.14 A. Peak 5013 from cnoeabs.peaks (8.21, 0.95, 23.35 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: H ALA 28 + QD1 LEU 64 OK 100 100 100 100 4.4-5.0 3.0/5794=77, 5015/2.1=75...(10) H GLU 25 - QD1 LEU 64 far 0 97 0 - 7.1-8.0 H SER 22 - QD1 LEU 64 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 5014 from cnoeabs.peaks (7.93, 0.84, 25.67 ppm; 5.27 A): 4 out of 5 assignments used, quality = 1.00: H LYS 32 + QD2 LEU 64 OK 97 97 100 100 5.1-5.4 910/4192=71, 4.7/6121=70...(9) H ILE 33 + QD2 LEU 64 OK 73 73 100 100 4.7-5.0 4.8/6122=71, 5559=71...(8) H ASP 67 + QD2 LEU 64 OK 68 100 70 97 5.3-5.8 4737/3.9=76, 4741/2.1=44...(7) H LEU 29 + QD2 LEU 64 OK 58 78 75 100 5.3-5.8 3.6/4173=84, 3.6/5162=84...(6) H ARG 70 - QD2 LEU 64 far 0 76 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 5015 from cnoeabs.peaks (8.21, 0.84, 25.67 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: H ALA 28 + QD2 LEU 64 OK 100 100 100 100 3.9-4.4 3.0/4173=89, 2.9/5162=88...(14) H GLU 25 - QD2 LEU 64 far 0 97 0 - 7.2-7.9 H THR 15 - QD2 LEU 64 far 0 99 0 - 9.3-21.1 H SER 22 - QD2 LEU 64 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 5016 from cnoeabs.peaks (7.96, 1.97, 41.01 ppm; 5.46 A): 1 out of 6 assignments used, quality = 0.88: H ALA 63 + HB2 LEU 64 OK 88 89 100 100 4.7-5.0 934/729=85, 5779/266=69...(7) H LYS 32 - HB2 LEU 64 far 0 83 0 - 7.6-8.1 H ARG 69 - HB2 LEU 64 far 0 78 0 - 7.7-8.1 H ALA 30 - HB2 LEU 64 far 0 78 0 - 8.2-8.9 H LEU 29 - HB2 LEU 64 far 0 98 0 - 8.9-9.5 H ARG 70 - HB2 LEU 64 far 0 99 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 5019 from cnoeabs.peaks (3.17, 0.95, 23.35 ppm; 4.34 A increased from 4.08 A): 2 out of 10 assignments used, quality = 0.97: HD2 ARG 27 + QD1 LEU 64 OK 88 100 100 88 1.9-4.4 5374=54, 3.5/5022=35...(8) HD3 ARG 27 + QD1 LEU 64 OK 73 100 85 86 1.9-4.7 1.8/5374=47, 3.5/5022=35...(8) HD3 ARG 71 - QD1 LEU 64 far 0 65 0 - 5.7-9.6 HD2 ARG 26 - QD1 LEU 64 far 0 100 0 - 6.7-10.0 HD3 ARG 26 - QD1 LEU 64 far 0 100 0 - 7.7-10.1 HD3 ARG 23 - QD1 LEU 64 far 0 99 0 - 7.9-12.0 HD2 ARG 23 - QD1 LEU 64 far 0 99 0 - 8.2-12.8 HD3 ARG 66 - QD1 LEU 64 far 0 93 0 - 8.4-10.3 HD2 ARG 66 - QD1 LEU 64 far 0 90 0 - 8.6-10.0 HD3 ARG 17 - QD1 LEU 64 far 0 95 0 - 10.0-21.1 Violated in 0 structures by 0.00 A. Peak 5020 from cnoeabs.peaks (2.85, 0.95, 23.35 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.95: HB3 ASP 67 + QD1 LEU 64 OK 95 98 100 97 3.7-4.4 1.8/4744=63...(6) Violated in 4 structures by 0.03 A. Peak 5021 from cnoeabs.peaks (2.63, 0.84, 25.67 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: HG2 MET 31 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 4198=98, 1.8/4200=73...(21) HG2 GLN 61 - QD2 LEU 64 far 0 63 0 - 5.5-6.0 HB3 ASP 38 - QD2 LEU 64 far 0 99 0 - 9.8-11.2 HB2 ASP 38 - QD2 LEU 64 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 5022 from cnoeabs.peaks (1.85, 0.95, 23.35 ppm; 3.53 A): 2 out of 10 assignments used, quality = 0.99: HB3 ARG 27 + QD1 LEU 64 OK 91 100 100 91 1.9-2.6 5028/2.1=43, 5095=27...(14) HB2 ARG 27 + QD1 LEU 64 OK 86 100 95 90 2.9-3.9 ~5028=28, 5095=27...(14) HB3 ARG 23 - QD1 LEU 64 far 0 99 0 - 6.5-9.4 HB2 ARG 26 - QD1 LEU 64 far 0 73 0 - 6.6-7.3 HB2 ARG 71 - QD1 LEU 64 far 0 100 0 - 6.6-8.3 HB3 ARG 26 - QD1 LEU 64 far 0 71 0 - 6.9-8.1 HB3 ARG 71 - QD1 LEU 64 far 0 100 0 - 7.1-8.3 HB2 ARG 23 - QD1 LEU 64 far 0 98 0 - 7.5-10.1 HB2 ARG 66 - QD1 LEU 64 far 0 83 0 - 8.1-8.4 HB2 ARG 17 - QD1 LEU 64 far 0 90 0 - 9.8-18.5 Violated in 0 structures by 0.00 A. Peak 5023 from cnoeabs.peaks (1.97, 0.95, 23.35 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 3.0-3.1 3.1=100 QE MET 31 - QD1 LEU 64 far 9 87 10 - 3.5-4.3 HB3 ARG 70 - QD1 LEU 64 far 0 89 0 - 8.1-10.5 HB2 ARG 70 - QD1 LEU 64 far 0 89 0 - 8.4-10.4 HG LEU 57 - QD1 LEU 64 far 0 89 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 5025 from cnoeabs.peaks (0.72, 1.97, 41.01 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 33 + HB2 LEU 64 OK 95 95 100 100 3.2-3.6 6122/3.1=86, 5026/1.8=78...(14) QD2 LEU 57 - HB2 LEU 64 far 0 98 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 5026 from cnoeabs.peaks (0.71, 1.70, 41.01 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.99: QD1 ILE 33 + HB3 LEU 64 OK 99 99 100 100 4.4-4.9 6122/3.1=91, 5025/1.8=82...(11) QD2 LEU 57 - HB3 LEU 64 far 0 100 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 5027 from cnoeabs.peaks (4.26, 0.84, 25.67 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.9-4.0 3.9=100 HA SER 60 - QD2 LEU 64 far 0 87 0 - 6.8-7.6 HA ASP 38 - QD2 LEU 64 far 0 85 0 - 8.8-9.8 HA ARG 17 - QD2 LEU 64 far 0 87 0 - 8.9-17.4 Violated in 0 structures by 0.00 A. Peak 5028 from cnoeabs.peaks (1.86, 0.84, 25.67 ppm; 3.65 A): 2 out of 13 assignments used, quality = 0.94: HB3 ARG 27 + QD2 LEU 64 OK 90 99 100 91 2.7-3.5 5022/2.1=37, 5096=27...(14) HB2 ARG 27 + QD2 LEU 64 OK 44 99 50 90 3.3-4.9 5022/2.1=34, 4.3/5015=26...(14) HB2 ARG 71 - QD2 LEU 64 far 0 99 0 - 7.3-9.7 HB2 ARG 26 - QD2 LEU 64 far 0 85 0 - 7.3-8.2 HB3 ARG 26 - QD2 LEU 64 far 0 83 0 - 7.4-8.8 HB2 ARG 66 - QD2 LEU 64 far 0 92 0 - 8.0-8.6 HB3 ARG 23 - QD2 LEU 64 far 0 95 0 - 8.1-10.6 HB3 ARG 71 - QD2 LEU 64 far 0 99 0 - 8.2-9.6 HB2 ARG 17 - QD2 LEU 64 far 0 81 0 - 8.3-17.5 HB2 LYS 39 - QD2 LEU 64 far 0 99 0 - 8.6-9.5 HB2 ARG 23 - QD2 LEU 64 far 0 93 0 - 8.9-11.2 HB3 PRO 34 - QD2 LEU 64 far 0 95 0 - 8.9-9.6 HB3 PRO 14 - QD2 LEU 64 far 0 68 0 - 9.1-23.7 Violated in 0 structures by 0.00 A. Peak 5029 from cnoeabs.peaks (1.45, 0.84, 25.67 ppm; 4.00 A): 2 out of 4 assignments used, quality = 0.99: HG12 ILE 33 + QD2 LEU 64 OK 99 99 100 100 3.1-3.5 2.1/6122=83, 1.8/4853=50...(16) QB ALA 30 + QD2 LEU 64 OK 28 100 30 94 4.0-4.9 3.6/4192=41...(11) HB3 LEU 57 - QD2 LEU 64 far 0 87 0 - 6.2-6.7 HB3 LEU 52 - QD2 LEU 64 far 0 76 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 5030 from cnoeabs.peaks (1.22, 0.84, 25.67 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: HG13 ILE 33 + QD2 LEU 64 OK 99 100 100 99 2.5-3.0 2.1/6122=74, 1.8/5029=50...(12) QG2 VAL 65 + QD2 LEU 64 OK 99 100 100 99 2.7-3.2 5965=65, 738/269=49...(16) QG1 VAL 65 - QD2 LEU 64 far 0 87 0 - 4.3-4.9 HG13 ILE 40 - QD2 LEU 64 far 0 89 0 - 5.7-6.7 QG2 THR 15 - QD2 LEU 64 far 0 76 0 - 7.2-17.6 HG LEU 52 - QD2 LEU 64 far 0 85 0 - 8.6-9.8 HG2 ARG 69 - QD2 LEU 64 far 0 68 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 5031 from cnoeabs.peaks (6.65, 1.23, 22.65 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 35 + QG1 VAL 65 OK 99 100 100 100 4.0-4.4 4568/6104=51...(15) Violated in 0 structures by 0.00 A. Peak 5032 from cnoeabs.peaks (1.54, 3.63, 67.03 ppm; 5.03 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 64 + HA VAL 65 OK 100 100 100 100 3.8-3.9 268/3.0=82, 4759/4706=80...(20) HG LEU 62 - HA VAL 65 far 0 78 0 - 6.6-7.4 HG2 LYS 39 - HA VAL 65 far 0 100 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 5033 from cnoeabs.peaks (1.03, 3.63, 67.03 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + HA VAL 65 OK 100 100 100 100 2.2-2.7 1942/4705=61...(20) HG3 PRO 34 - HA VAL 65 far 0 95 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 5034 from cnoeabs.peaks (0.92, 1.23, 22.65 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.98: QG2 ILE 40 + QG1 VAL 65 OK 98 99 100 99 1.9-2.4 1941=49, 4323/4718=40...(23) QD2 LEU 62 - QG1 VAL 65 far 0 99 0 - 4.1-5.3 QG2 VAL 41 - QG1 VAL 65 far 0 95 0 - 5.6-6.0 HG12 ILE 68 - QG1 VAL 65 far 0 100 0 - 5.9-6.3 QD2 LEU 43 - QG1 VAL 65 far 0 76 0 - 7.3-7.6 QG2 VAL 76 - QG1 VAL 65 far 0 100 0 - 9.3-13.6 QG1 VAL 76 - QG1 VAL 65 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 5035 from cnoeabs.peaks (1.02, 1.23, 22.65 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 40 + QG1 VAL 65 OK 97 97 100 99 1.9-2.4 3.0/5034=52, 1962=39...(24) QD1 LEU 57 + QG1 VAL 65 OK 66 71 100 94 3.0-3.4 ~4611=30, 4613/4728=28...(16) HG3 PRO 34 - QG1 VAL 65 far 0 76 0 - 6.2-7.4 Violated in 0 structures by 0.00 A. Peak 5038 from cnoeabs.peaks (8.58, 2.01, 28.91 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.97: H ARG 66 + HG2 ARG 66 OK 97 97 100 100 2.5-2.8 743=97, 744/1.8=87...(16) Violated in 0 structures by 0.00 A. Peak 5039 from cnoeabs.peaks (8.58, 1.70, 28.91 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.97: H ARG 66 + HG3 ARG 66 OK 97 97 100 100 3.2-3.9 744=97, 743/1.8=95...(17) Violated in 0 structures by 0.00 A. Peak 5040 from cnoeabs.peaks (8.59, 3.19, 43.48 ppm; 5.15 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 66 + HD2 ARG 66 OK 100 100 100 100 4.0-5.1 743/3.0=94, 742/3.4=89...(17) H ARG 66 + HD3 ARG 66 OK 100 100 100 100 4.0-5.1 743/3.0=94, 742/3.4=89...(17) H ARG 66 - HD3 ARG 70 far 0 92 0 - 6.6-10.4 H ARG 66 - HD2 ARG 70 far 0 89 0 - 6.6-11.0 H ARG 66 - HD3 ARG 27 far 0 45 0 - 8.7-12.6 H ARG 66 - HD2 ARG 27 far 0 45 0 - 8.7-12.1 H ARG 66 - HD3 ARG 71 far 0 56 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 5041 from cnoeabs.peaks (7.61, 0.81, 17.06 ppm; 5.44 A): 1 out of 3 assignments used, quality = 0.96: H VAL 41 + QG2 ILE 68 OK 96 97 100 100 3.4-4.4 4.4/4298=84, 143/5249=73...(10) HD21 ASN 42 - QG2 ILE 68 far 0 97 0 - 6.0-7.7 HD21 ASN 74 - QG2 ILE 68 far 0 100 0 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 5042 from cnoeabs.peaks (2.10, 0.78, 13.95 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.81: HB ILE 40 + QD1 ILE 68 OK 81 81 100 100 3.7-4.8 3.2/5247=89, 4753/2.9=83...(17) HB2 PRO 36 - QD1 ILE 68 far 0 78 0 - 7.0-7.7 HG2 PRO 36 - QD1 ILE 68 far 0 98 0 - 7.6-8.3 HG3 PRO 36 - QD1 ILE 68 far 0 99 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 5044 from cnoeabs.peaks (3.63, 1.92, 28.80 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 65 + HG13 ILE 68 OK 99 99 100 100 3.7-4.0 4706/2.1=96, 4750/2.9=76...(12) HA ARG 69 - HG13 ILE 68 far 0 99 0 - 6.4-6.4 HA ILE 40 - HG13 ILE 68 far 0 97 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 5045 from cnoeabs.peaks (1.60, 3.51, 65.41 ppm; 5.83 A): 1 out of 6 assignments used, quality = 0.90: HG2 ARG 71 + HA ILE 68 OK 90 90 100 100 2.3-5.9 1.8/5985=86...(9) HG3 ARG 70 - HA ILE 68 far 5 98 5 - 5.6-8.0 HG3 ARG 27 - HA ILE 68 far 3 60 5 - 5.7-8.5 HG2 ARG 27 - HA ILE 68 far 0 63 0 - 6.2-8.4 HD3 LYS 73 - HA ILE 68 far 0 99 0 - 8.1-12.1 HD2 LYS 73 - HA ILE 68 far 0 99 0 - 9.4-11.6 Violated in 1 structures by 0.01 A. Peak 5047 from cnoeabs.peaks (3.97, 1.80, 29.46 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.97: HA ARG 66 + HB2 ARG 69 OK 97 100 100 97 2.9-3.8 4733/1.8=71, 5379/760=63...(8) HA2 GLY 72 - HB2 ARG 69 far 0 98 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 5048 from cnoeabs.peaks (3.98, 3.63, 59.20 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.85: HA ARG 70 + HA ARG 69 OK 75 76 100 99 4.7-4.8 3.6/5837=57, ~940=51...(13) HA2 GLY 72 + HA ARG 69 OK 39 90 45 97 3.5-6.6 3.0/5492=77...(8) HA ARG 66 - HA ARG 69 far 0 100 0 - 5.5-5.9 Violated in 0 structures by 0.00 A. Peak 5049 from cnoeabs.peaks (1.72, 4.48, 57.73 ppm; 4.79 A increased from 4.51 A): 1 out of 4 assignments used, quality = 0.98: HG2 ARG 70 + HA ASP 67 OK 98 98 100 100 2.0-4.5 5052=92, 2864/4792=56...(10) HG3 ARG 66 - HA ASP 67 far 0 78 0 - 6.4-6.6 HB3 LEU 64 - HA ASP 67 far 0 83 0 - 7.6-7.8 HB2 LEU 43 - HA ASP 46 far 0 87 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 5050 from cnoeabs.peaks (1.61, 4.48, 57.73 ppm; 5.60 A increased from 4.72 A): 2 out of 9 assignments used, quality = 1.00: HG3 ARG 70 + HA ASP 67 OK 100 100 100 100 3.5-5.8 1.8/5049=96...(10) HG2 ARG 71 + HA ASP 67 OK 62 97 95 67 3.6-7.0 2920/5838=57...(4) HB3 LEU 51 - HA ASP 46 far 0 85 0 - 8.1-8.7 HG2 ARG 27 - HA ASP 67 far 0 76 0 - 8.2-11.2 HD3 LYS 73 - HA ASP 67 far 0 100 0 - 8.3-12.9 HG3 ARG 27 - HA ASP 67 far 0 73 0 - 8.7-11.0 HB3 LEU 62 - HA ASP 67 far 0 83 0 - 9.2-10.2 HD2 LYS 73 - HA ASP 67 far 0 100 0 - 9.2-12.3 HD2 LYS 73 - HA ASP 46 far 0 89 0 - 9.5-15.8 Violated in 0 structures by 0.00 A. Peak 5051 from cnoeabs.peaks (4.47, 1.95, 29.80 ppm; 4.42 A increased from 3.72 A): 3 out of 3 assignments used, quality = 0.99: HA ASP 67 + HB2 ARG 70 OK 91 98 95 98 3.2-5.0 5049/2.9=56, 4792/4.1=55...(10) HA ASP 67 + HB3 ARG 66 OK 84 85 100 99 4.4-4.6 3.0/279=59, ~278=48...(12) HA ASP 67 + HB3 ARG 70 OK 53 98 55 98 2.4-5.2 5049/2.9=56, 4792/4.1=55...(10) Violated in 0 structures by 0.00 A. Peak 5052 from cnoeabs.peaks (4.48, 1.71, 27.11 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 67 + HG2 ARG 70 OK 100 100 100 100 2.0-4.5 5049=98, 4792/2864=58...(10) HA ASP 24 - HG2 ARG 70 far 0 99 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. Peak 5057 from cnoeabs.peaks (1.38, 2.78, 38.52 ppm; 4.94 A): 3 out of 20 assignments used, quality = 0.99: QB ALA 77 + HB3 ASN 74 OK 97 99 100 98 3.6-5.2 6040/3.0=89, ~16039=38...(7) QB ALA 77 + HB2 ASN 74 OK 51 55 95 98 4.0-5.8 6040/3.0=89, ~16039=38...(7) QB ALA 77 + HB3 ASN 80 OK 49 66 75 100 3.8-5.7 ~5859=68, 5874/1.8=63...(7) QB ALA 78 - HB3 ASN 74 far 15 100 15 - 4.9-8.8 HG2 LYS 83 - HB3 ASN 80 far 6 59 10 - 3.9-12.6 HG3 LYS 75 - HB3 ASN 74 far 5 99 5 - 4.4-8.1 HG3 LYS 75 - HB2 ASN 74 far 0 55 0 - 5.7-8.3 HG2 LYS 75 - HB3 ASN 74 far 0 99 0 - 5.7-8.0 HG3 LYS 73 - HB3 ASN 80 far 0 67 0 - 5.8-11.2 HG3 LYS 73 - HB2 ASN 74 far 0 56 0 - 6.0-7.4 QB ALA 78 - HB2 ASN 74 far 0 56 0 - 6.0-9.7 QB ALA 78 - HB3 ASN 80 far 0 67 0 - 6.1-7.6 HG2 LYS 75 - HB2 ASN 74 far 0 55 0 - 6.2-8.3 HG3 LYS 73 - HB3 ASN 74 far 0 100 0 - 6.4-8.4 HB3 ARG 69 - HB2 ASN 74 far 0 51 0 - 8.1-11.1 HG3 ARG 69 - HB2 ASN 74 far 0 56 0 - 8.3-11.1 HG3 ARG 69 - HB3 ASN 74 far 0 99 0 - 8.4-12.5 HG2 LYS 75 - HB3 ASN 80 far 0 66 0 - 9.0-12.7 HB3 ARG 69 - HB3 ASN 74 far 0 96 0 - 9.4-11.4 QB ALA 16 - HB3 ASN 80 far 0 45 0 - 9.5-36.1 Violated in 0 structures by 0.00 A. Peak 5058 from cnoeabs.peaks (1.38, 2.81, 38.52 ppm; 4.91 A): 2 out of 14 assignments used, quality = 0.96: QB ALA 77 + HB2 ASN 74 OK 92 99 95 98 4.0-5.8 6040/3.0=89, ~16039=38...(7) QB ALA 77 + HB3 ASN 74 OK 54 55 100 98 3.6-5.2 6040/3.0=89, ~16039=38...(7) QB ALA 78 - HB3 ASN 74 far 8 56 15 - 4.9-8.8 HG3 LYS 75 - HB3 ASN 74 far 3 55 5 - 4.4-8.1 HG3 LYS 75 - HB2 ASN 74 far 0 99 0 - 5.7-8.3 HG2 LYS 75 - HB3 ASN 74 far 0 55 0 - 5.7-8.0 HG3 LYS 73 - HB2 ASN 74 far 0 100 0 - 6.0-7.4 QB ALA 78 - HB2 ASN 74 far 0 100 0 - 6.0-9.7 HG2 LYS 75 - HB2 ASN 74 far 0 99 0 - 6.2-8.3 HG3 LYS 73 - HB3 ASN 74 far 0 56 0 - 6.4-8.4 HB3 ARG 69 - HB2 ASN 74 far 0 96 0 - 8.1-11.1 HG3 ARG 69 - HB2 ASN 74 far 0 99 0 - 8.3-11.1 HG3 ARG 69 - HB3 ASN 74 far 0 56 0 - 8.4-12.5 HB3 ARG 69 - HB3 ASN 74 far 0 51 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 5061 from cnoeabs.peaks (4.00, 1.82, 32.45 ppm; 4.68 A): 1 out of 5 assignments used, quality = 0.93: * HA ARG 70 + HB2 LYS 73 OK 93 100 100 93 2.1-3.8 5987/787=75, 5984/1.8=46...(6) HA ARG 70 - HB2 LYS 75 far 0 77 0 - 7.5-9.9 HA ARG 66 - HB2 LYS 73 far 0 71 0 - 8.2-9.6 HB2 SER 22 - HB2 LYS 75 far 0 73 0 - 8.6-13.3 HA PHE 48 - HB2 LYS 73 far 0 65 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. 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): 2 out of 6 assignments used, quality = 0.98: HB3 GLN 61 + QE MET 31 OK 96 97 100 99 3.4-3.7 3.0/5079=68, 4.0/5083=48...(13) HB3 LEU 64 + QE MET 31 OK 65 65 100 99 2.8-4.1 3.1/5074=62, 3.1/5073=51...(14) HG LEU 29 - QE MET 31 far 0 100 0 - 8.4-8.7 HD3 LYS 13 - QE MET 31 far 0 100 0 - 8.6-27.7 HG3 ARG 66 - QE MET 31 far 0 71 0 - 8.8-10.3 HD2 LYS 13 - QE MET 31 far 0 100 0 - 9.7-27.1 Violated in 0 structures by 0.00 A. Peak 5071 from cnoeabs.peaks (1.46, 1.99, 16.73 ppm; 4.93 A increased from 4.38 A): 2 out of 4 assignments used, quality = 0.97: QB ALA 30 + QE MET 31 OK 93 95 100 98 4.7-5.2 5305/3.3=63, 6116/3.3=63...(8) QB ALA 63 + QE MET 31 OK 60 63 100 96 4.2-4.7 3.6/5082=69...(10) HG12 ILE 33 - QE MET 31 far 9 93 10 - 5.1-5.9 HB3 LEU 57 - QE MET 31 far 0 97 0 - 5.6-5.9 Violated in 0 structures by 0.00 A. Peak 5073 from cnoeabs.peaks (0.94, 1.99, 16.73 ppm; 4.54 A increased from 4.04 A): 1 out of 4 assignments used, quality = 0.96: QD1 LEU 64 + QE MET 31 OK 96 96 100 100 3.5-4.3 2.1/5074=88, 5310/3.3=59...(13) QD2 LEU 62 - QE MET 31 far 0 95 0 - 7.2-7.5 HG12 ILE 68 - QE MET 31 far 0 78 0 - 7.8-8.8 QG2 ILE 40 - QE MET 31 far 0 95 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 5074 from cnoeabs.peaks (0.83, 1.99, 16.73 ppm; 3.88 A increased from 3.45 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 64 + QE MET 31 OK 98 98 100 100 3.0-3.7 2.1/5073=55, 4198/3.3=54...(17) QG2 ILE 68 - QE MET 31 far 0 65 0 - 7.8-8.8 QD2 LEU 29 - QE MET 31 far 0 98 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 5075 from cnoeabs.peaks (0.71, 1.99, 16.73 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + QE MET 31 OK 100 100 100 100 3.2-3.9 6122/5074=65...(16) QD2 LEU 57 - QE MET 31 far 0 100 0 - 5.1-5.5 Violated in 0 structures by 0.00 A. Peak 5076 from cnoeabs.peaks (2.50, 1.99, 16.73 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.96: HG3 MET 31 + QE MET 31 OK 83 83 100 100 2.6-3.4 3.3=100 HB2 GLN 61 + QE MET 31 OK 77 78 100 98 3.7-4.2 3.0/5079=68, 4.0/5083=47...(12) Violated in 0 structures by 0.00 A. Peak 5077 from cnoeabs.peaks (2.62, 1.99, 16.73 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: HG2 MET 31 + QE MET 31 OK 100 100 100 100 2.4-3.4 3.3=100 HG2 GLN 61 + QE MET 31 OK 72 78 100 92 2.2-3.0 4.0/5079=41, 713/5083=31...(10) Violated in 0 structures by 0.00 A. Peak 5078 from cnoeabs.peaks (3.83, 1.99, 16.73 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.88: HB3 SER 60 + QE MET 31 OK 72 97 100 74 1.9-3.5 3.0/5081=34, 4651=26...(6) HB2 SER 60 + QE MET 31 OK 57 97 80 73 2.1-4.2 3.0/5081=34, 4651=26...(5) HA LEU 52 - QE MET 31 far 0 71 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 5079 from cnoeabs.peaks (3.96, 1.99, 16.73 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.99: HA GLN 61 + QE MET 31 OK 99 100 100 99 1.9-2.0 5232=53, 3.0/5083=47...(18) HA ALA 28 - QE MET 31 far 0 100 0 - 5.7-6.1 HA LYS 32 - QE MET 31 far 0 93 0 - 6.3-6.9 HA ARG 66 - QE MET 31 far 0 93 0 - 9.2-9.9 HA THR 37 - QE MET 31 far 0 65 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 5080 from cnoeabs.peaks (4.42, 1.99, 16.73 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: HA MET 31 + QE MET 31 OK 100 100 100 100 2.4-3.0 5189=99, 1529/3.3=66...(9) HA THR 58 - QE MET 31 far 0 89 0 - 6.4-7.4 Violated in 0 structures by 0.00 A. Peak 5081 from cnoeabs.peaks (4.27, 1.99, 16.73 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.87: HA SER 60 + QE MET 31 OK 87 100 95 91 3.4-4.6 3.6/5083=58, 3.0/5078=45...(6) HA LEU 64 - QE MET 31 far 0 95 0 - 4.8-5.9 Violated in 1 structures by 0.02 A. Peak 5082 from cnoeabs.peaks (7.42, 1.99, 16.73 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.98: H LEU 64 + QE MET 31 OK 98 100 100 98 3.5-4.4 4687/5079=57...(10) Violated in 1 structures by 0.00 A. Peak 5083 from cnoeabs.peaks (7.69, 1.99, 16.73 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.98: H GLN 61 + QE MET 31 OK 98 98 100 100 3.0-3.7 3.0/5079=70, 4656=52...(19) H MET 31 - QE MET 31 far 9 90 10 - 4.4-4.7 Violated in 0 structures by 0.00 A. Peak 5087 from cnoeabs.peaks (7.94, 1.99, 16.73 ppm; 5.44 A increased from 5.12 A): 1 out of 3 assignments used, quality = 0.98: H LYS 32 + QE MET 31 OK 98 100 100 98 5.0-5.5 90/5189=84, 910/6.0=58...(6) H ASP 67 - QE MET 31 far 0 99 0 - 7.3-8.2 H LEU 29 - QE MET 31 far 0 93 0 - 7.9-8.2 Violated in 1 structures by 0.00 A. Peak 5092 from cnoeabs.peaks (8.21, 2.27, 31.85 ppm; 5.78 A): 1 out of 3 assignments used, quality = 0.97: H THR 15 + HB2 PRO 14 OK 97 97 100 100 2.1-4.2 4.0=100 H ALA 12 - HB2 PRO 14 far 0 73 0 - 7.6-10.9 H ALA 28 - HB2 PRO 14 far 0 100 0 - 8.7-24.6 Violated in 0 structures by 0.00 A. Peak 5094 from cnoeabs.peaks (3.91, 2.05, 29.32 ppm; 4.38 A increased from 3.89 A): 4 out of 10 assignments used, quality = 0.93: HB3 SER 22 + HB2 GLU 25 OK 75 81 95 98 2.2-4.7 3.0/4153=59, 1.8/4154=56...(8) HA LEU 51 + HB3 GLU 50 OK 43 51 85 99 4.1-5.1 ~190=39, ~189=39...(15) HA LEU 51 + HB2 GLU 50 OK 40 51 80 98 4.3-5.5 3.0/190=55, 4944/654=35...(14) HB3 SER 22 + HB3 GLU 25 OK 23 81 30 96 3.8-6.5 ~4154=44, ~4153=41...(8) HA2 GLY 18 - HB3 GLU 25 far 0 95 0 - 5.6-12.6 HA3 GLY 18 - HB3 GLU 25 far 0 93 0 - 5.9-12.1 HA THR 37 - HB3 GLU 25 far 0 81 0 - 6.9-9.9 HA2 GLY 18 - HB2 GLU 25 far 0 94 0 - 7.1-13.1 HA3 GLY 18 - HB2 GLU 25 far 0 93 0 - 7.1-12.7 HA THR 37 - HB2 GLU 25 far 0 81 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 5095 from cnoeabs.peaks (0.95, 1.85, 30.20 ppm; 4.00 A): 4 out of 36 assignments used, quality = 1.00: QD1 LEU 64 + HB3 ARG 27 OK 97 99 100 98 1.9-2.6 2.1/5028=53, 5022=51...(13) QD1 LEU 64 + HB2 ARG 27 OK 97 99 100 97 2.9-3.9 5022=48, 5022/1.8=44...(14) HG12 ILE 68 + HB3 ARG 27 OK 26 63 60 69 3.8-4.9 2.1/5974=48, ~5974=17...(5) HG12 ILE 68 + HB2 ARG 27 OK 22 63 55 63 3.5-5.3 ~5974=33, 2.1/5974=26...(5) QG2 VAL 41 - HB2 ARG 71 far 9 93 10 - 3.9-6.7 HG12 ILE 68 - HB2 ARG 71 far 3 63 5 - 4.3-7.6 QG2 VAL 41 - HB3 ARG 71 far 0 93 0 - 4.5-6.8 HG12 ILE 68 - HB3 ARG 71 far 0 63 0 - 5.1-7.2 QG2 ILE 40 - HB2 ARG 71 far 0 85 0 - 5.5-8.5 QD2 LEU 62 - HB2 ARG 66 far 0 45 0 - 5.7-7.4 QG2 ILE 40 - HB2 ARG 66 far 0 45 0 - 6.0-6.5 QG2 ILE 40 - HB3 ARG 71 far 0 85 0 - 6.3-8.3 QD1 LEU 64 - HB3 ARG 23 far 0 81 0 - 6.5-9.4 QD1 LEU 64 - HB2 ARG 26 far 0 55 0 - 6.6-7.3 QD1 LEU 64 - HB2 ARG 71 far 0 99 0 - 6.6-8.3 QD1 LEU 64 - HB3 ARG 26 far 0 52 0 - 6.9-8.1 QD1 LEU 64 - HB3 ARG 71 far 0 99 0 - 7.1-8.3 QG1 VAL 76 - HB3 ARG 71 far 0 63 0 - 7.3-9.2 QD1 LEU 64 - HB2 ARG 23 far 0 80 0 - 7.5-10.1 QG2 VAL 76 - HB3 ARG 71 far 0 63 0 - 7.6-11.6 QG2 ILE 40 - HB2 ARG 27 far 0 85 0 - 7.7-9.6 QG2 VAL 76 - HB2 ARG 71 far 0 63 0 - 7.8-11.5 QG1 VAL 76 - HB2 ARG 71 far 0 63 0 - 7.8-9.3 HG12 ILE 68 - HB3 ARG 23 far 0 45 0 - 7.8-10.1 QG2 ILE 40 - HB3 ARG 27 far 0 85 0 - 8.0-8.8 QG2 VAL 41 - HB2 ARG 27 far 0 93 0 - 8.0-9.4 HG12 ILE 68 - HB2 ARG 23 far 0 45 0 - 8.0-10.9 QD1 LEU 64 - HB2 ARG 66 far 0 59 0 - 8.1-8.4 HG12 ILE 68 - HB2 ARG 26 far 0 29 0 - 8.3-10.2 QG2 VAL 41 - HB3 ARG 27 far 0 93 0 - 8.3-9.4 QG2 VAL 41 - HB2 ARG 66 far 0 52 0 - 8.4-9.2 QG2 VAL 41 - HB2 ARG 23 far 0 72 0 - 9.1-11.8 HG12 ILE 68 - HB2 ARG 66 far 0 31 0 - 9.2-9.5 HG12 ILE 68 - HB3 ARG 26 far 0 27 0 - 9.5-10.8 QG2 VAL 41 - HB3 ARG 23 far 0 72 0 - 9.6-11.5 QG1 VAL 76 - HB2 ARG 23 far 0 45 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 5096 from cnoeabs.peaks (0.83, 1.85, 30.20 ppm; 4.03 A): 4 out of 27 assignments used, quality = 0.99: QD2 LEU 64 + HB3 ARG 27 OK 90 93 100 97 2.7-3.5 5028=62, 2.1/5022=43...(13) QD2 LEU 64 + HB2 ARG 27 OK 63 93 70 96 3.3-4.9 5028/1.8=53, 2.1/5022=40...(14) QD2 LEU 29 + HB3 ARG 26 OK 44 46 100 96 3.7-4.3 ~5929=28, 5349/3.0=28...(17) QG2 ILE 68 + HB2 ARG 71 OK 30 78 50 78 2.9-6.4 3.2/5392=25, ~5985=20...(10) QG2 ILE 68 - HB3 ARG 71 far 12 78 15 - 4.1-6.3 QD2 LEU 29 - HB2 ARG 26 far 5 48 10 - 4.1-4.5 QG2 ILE 68 - HB2 ARG 27 far 0 78 0 - 4.3-6.3 QG2 ILE 68 - HB3 ARG 27 far 0 78 0 - 5.1-6.1 QD2 LEU 29 - HB2 ARG 27 far 0 93 0 - 5.7-6.1 QD2 LEU 29 - HB3 ARG 27 far 0 93 0 - 6.1-7.0 QD2 LEU 64 - HB2 ARG 71 far 0 93 0 - 7.3-9.7 QD2 LEU 64 - HB2 ARG 26 far 0 48 0 - 7.3-8.2 QD2 LEU 64 - HB3 ARG 26 far 0 46 0 - 7.4-8.8 QG2 ILE 68 - HB2 ARG 23 far 0 57 0 - 7.6-10.0 QG2 ILE 68 - HB3 ARG 23 far 0 58 0 - 7.8-9.4 QD2 LEU 29 - HB3 ARG 23 far 0 72 0 - 7.9-8.5 QG2 ILE 68 - HB2 ARG 66 far 0 40 0 - 7.9-8.1 QD2 LEU 64 - HB2 ARG 66 far 0 52 0 - 8.0-8.6 QD2 LEU 29 - HB2 ARG 23 far 0 72 0 - 8.1-8.8 QD2 LEU 64 - HB3 ARG 23 far 0 72 0 - 8.1-10.6 QG2 ILE 68 - HB2 ARG 26 far 0 37 0 - 8.1-10.1 QD2 LEU 64 - HB3 ARG 71 far 0 93 0 - 8.2-9.6 QD1 LEU 43 - HB3 PRO 34 far 0 48 0 - 8.8-10.4 QD2 LEU 64 - HB2 ARG 23 far 0 72 0 - 8.9-11.2 QD2 LEU 64 - HB3 PRO 34 far 0 41 0 - 8.9-9.6 QG2 ILE 68 - HB3 ARG 26 far 0 36 0 - 9.3-10.6 QD2 LEU 86 - HB3 ARG 71 far 0 100 0 - 10.0-28.1 Violated in 0 structures by 0.00 A. Peak 5098 from cnoeabs.peaks (0.84, 3.17, 43.10 ppm; 5.59 A increased from 4.47 A): 4 out of 30 assignments used, quality = 1.00: QD2 LEU 29 + HD3 ARG 26 OK 91 99 100 93 3.3-5.8 2.1/5961=39, 5349/4.8=39...(9) QD2 LEU 29 + HD2 ARG 26 OK 83 99 90 93 3.2-6.5 ~5961=48, 5349/4.8=39...(9) QD2 LEU 64 + HD2 ARG 27 OK 82 100 85 97 4.0-6.2 5028/3.5=61, 2.1/5019=53...(9) QD2 LEU 64 + HD3 ARG 27 OK 68 100 70 97 3.5-6.5 5028/3.5=61, 2.1/5019=44...(9) QD2 LEU 29 - HD3 ARG 17 far 10 97 10 - 4.7-13.4 QD2 LEU 29 - HD2 ARG 17 far 5 97 5 - 5.1-12.7 QD2 LEU 86 - HD2 ARG 84 lone 1 76 35 2 2.3-10.0 QD2 LEU 86 - HD3 ARG 84 lone 0 80 25 2 2.8-10.0 QD2 LEU 29 - HD2 ARG 27 far 0 100 0 - 6.1-8.4 QD2 LEU 29 - HD3 ARG 27 far 0 100 0 - 6.2-8.8 QG2 ILE 89 - HD2 ARG 84 far 0 78 0 - 7.4-17.8 QD2 LEU 29 - HD2 ARG 23 far 0 99 0 - 7.5-10.8 QG2 ILE 89 - HD3 ARG 84 far 0 83 0 - 7.8-19.1 QD2 LEU 64 - HD2 ARG 71 far 0 59 0 - 7.9-11.0 QD2 LEU 86 - HD2 ARG 82 far 0 74 0 - 7.9-16.2 QD2 LEU 29 - HD3 ARG 23 far 0 99 0 - 7.9-10.7 QD2 LEU 64 - HD2 ARG 26 far 0 99 0 - 8.1-10.5 QD2 LEU 64 - HD3 ARG 17 far 0 97 0 - 8.2-20.0 QD2 LEU 64 - HD2 ARG 66 far 0 44 0 - 8.2-9.9 QD2 LEU 64 - HD3 ARG 66 far 0 47 0 - 8.3-9.7 QD1 ILE 89 - HD3 ARG 84 far 0 43 0 - 8.8-17.6 QD2 LEU 64 - HD3 ARG 26 far 0 99 0 - 8.8-10.7 QD2 LEU 86 - HD2 ARG 71 far 0 58 0 - 9.0-27.8 QD1 ILE 89 - HD2 ARG 84 far 0 40 0 - 9.1-17.7 QD1 LEU 43 - HD2 ARG 66 far 0 41 0 - 9.1-12.0 QD2 LEU 64 - HD2 ARG 17 far 0 97 0 - 9.4-18.8 QD1 LEU 43 - HD3 ARG 66 far 0 44 0 - 9.6-12.1 QD2 LEU 64 - HD3 ARG 23 far 0 99 0 - 9.6-12.5 QD2 LEU 64 - HD2 ARG 23 far 0 99 0 - 9.9-13.6 QD1 LEU 43 - HD2 ARG 17 far 0 94 0 - 10.0-22.6 Violated in 0 structures by 0.00 A. Peak 5099 from cnoeabs.peaks (0.91, 3.17, 43.10 ppm; 4.76 A): 0 out of 32 assignments used, quality = 0.00: QD2 LEU 62 - HD2 ARG 66 poor 17 35 50 - 4.4-6.2 QD1 LEU 86 - HD2 ARG 84 poor 10 48 20 - 4.4-9.9 QD2 LEU 62 - HD3 ARG 66 poor 8 37 55 39 4.2-6.1 5958/1.8=22, 5958=20 QD1 LEU 86 - HD3 ARG 84 far 3 52 5 - 5.1-10.2 QG2 VAL 41 - HD2 ARG 71 far 2 40 5 - 4.9-8.7 HG12 ILE 68 - HD3 ARG 27 lone 0 99 30 1 3.6-7.4 HG12 ILE 68 - HD2 ARG 27 lone 0 99 30 1 3.7-7.6 HG12 ILE 68 - HD2 ARG 71 far 0 57 0 - 5.1-9.0 QG2 ILE 40 - HD2 ARG 66 far 0 35 0 - 5.4-7.9 QG2 ILE 40 - HD3 ARG 66 far 0 37 0 - 5.7-8.0 QD1 LEU 86 - HD2 ARG 82 far 0 47 0 - 5.8-16.9 QG1 VAL 76 - HD2 ARG 71 far 0 57 0 - 6.6-10.6 QG2 VAL 76 - HD2 ARG 71 far 0 57 0 - 6.8-12.8 QG2 VAL 76 - HD3 ARG 84 far 0 79 0 - 6.9-17.3 QG2 ILE 40 - HD2 ARG 71 far 0 47 0 - 7.5-9.8 QG2 VAL 41 - HD2 ARG 27 far 0 78 0 - 7.7-11.7 QG2 VAL 41 - HD3 ARG 27 far 0 78 0 - 8.0-11.4 QG2 ILE 40 - HD2 ARG 27 far 0 89 0 - 8.2-11.4 QG2 ILE 40 - HD3 ARG 27 far 0 89 0 - 8.2-11.3 QG2 VAL 76 - HD2 ARG 84 far 0 75 0 - 8.2-17.4 QG2 VAL 41 - HD2 ARG 66 far 0 29 0 - 8.3-11.4 QG2 VAL 41 - HD3 ARG 66 far 0 31 0 - 8.7-11.4 QG2 VAL 76 - HD2 ARG 82 far 0 73 0 - 8.8-14.4 HG LEU 51 - HD2 ARG 66 far 0 30 0 - 8.9-12.2 HG LEU 51 - HD3 ARG 66 far 0 33 0 - 9.0-11.7 HG12 ILE 68 - HD2 ARG 23 far 0 98 0 - 9.1-13.2 QG1 VAL 76 - HD3 ARG 84 far 0 79 0 - 9.5-18.4 HG12 ILE 68 - HD3 ARG 23 far 0 98 0 - 9.7-12.5 QG2 VAL 41 - HD2 ARG 23 far 0 77 0 - 9.8-12.8 QG1 VAL 90 - HD2 ARG 84 far 0 69 0 - 9.9-20.8 QG1 VAL 90 - HD3 ARG 84 far 0 74 0 - 9.9-19.8 HG12 ILE 68 - HD2 ARG 26 far 0 98 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 5100 from cnoeabs.peaks (0.84, 1.63, 27.31 ppm; 4.93 A increased from 4.38 A): 3 out of 11 assignments used, quality = 0.97: QD2 LEU 29 + HG2 ARG 26 OK 83 88 100 95 3.1-5.0 ~5832=47, 5349/3.7=39...(12) QD2 LEU 64 + HG2 ARG 27 OK 64 100 65 99 3.5-5.8 5028/2.9=59, ~5374=52...(15) QD2 LEU 64 + HG3 ARG 27 OK 54 100 55 99 3.6-5.6 5028/2.9=59, ~5374=52...(15) QD2 LEU 29 - HG3 ARG 17 far 8 82 10 - 5.1-13.9 QD2 LEU 29 - HG2 ARG 27 far 0 100 0 - 5.8-7.8 QD2 LEU 29 - HG3 ARG 27 far 0 100 0 - 5.8-7.5 QD2 LEU 29 - HG2 ARG 17 far 0 81 0 - 5.9-12.5 QD2 LEU 64 - HG2 ARG 26 far 0 88 0 - 6.8-9.7 QD2 LEU 64 - HG3 ARG 17 far 0 82 0 - 8.7-19.1 QD2 LEU 64 - HG2 ARG 17 far 0 81 0 - 9.7-18.6 QD2 LEU 64 - HG3 ARG 70 far 0 72 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 5102 from cnoeabs.peaks (0.30, 6.65, 132.92 ppm; 5.96 A): 1 out of 1 assignment used, quality = 0.98: QG2 ILE 33 + QD PHE 35 OK 98 98 100 100 2.6-2.7 4248/582=96, 4583/2.2=90...(19) Violated in 0 structures by 0.00 A. 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 99 100 100 3.0-3.3 4530=100, 2.1/4534=100...(25) Violated in 0 structures by 0.00 A. Peak 5104 from cnoeabs.peaks (1.86, 3.87, 50.78 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.98: HB2 LYS 39 + HD2 PRO 36 OK 98 98 100 100 4.6-5.4 3.5/4261=73, ~4877=64...(19) HB2 ARG 17 - HD2 PRO 36 far 0 73 0 - 6.5-18.0 HB3 PRO 34 - HD2 PRO 36 far 0 97 0 - 6.8-8.0 HB3 PRO 14 - HD2 PRO 36 far 0 76 0 - 9.6-30.1 Violated in 1 structures by 0.00 A. Peak 5105 from cnoeabs.peaks (4.09, 1.17, 22.48 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 25 + QG2 THR 37 OK 100 100 100 100 2.0-3.4 4162=100, 4181/6128=59...(13) HA ARG 27 - QG2 THR 37 far 0 76 0 - 5.4-7.5 HA ARG 26 - QG2 THR 37 far 0 73 0 - 5.5-6.6 HA ARG 71 - QG2 THR 37 far 0 89 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 5107 from cnoeabs.peaks (8.20, 1.17, 22.48 ppm; 5.01 A): 3 out of 5 assignments used, quality = 1.00: H GLU 25 + QG2 THR 37 OK 100 100 100 100 3.5-5.1 2.9/4162=86...(8) H ALA 28 + QG2 THR 37 OK 94 96 100 99 3.0-4.8 2.9/6128=93...(7) H ARG 27 + QG2 THR 37 OK 49 76 85 76 4.0-5.7 5520/6128=49...(7) H SER 22 - QG2 THR 37 far 5 97 5 - 4.5-7.7 H THR 15 - QG2 THR 37 far 0 100 0 - 7.2-20.8 Violated in 0 structures by 0.00 A. Peak 5108 from cnoeabs.peaks (0.91, 1.78, 32.41 ppm; 4.48 A): 1 out of 24 assignments used, quality = 0.86: QG1 VAL 76 + HB3 LYS 75 OK 86 87 100 98 2.6-4.5 815/341=68, 5328/3.5=59...(11) QG1 VAL 76 - HB3 LYS 73 poor 19 95 20 - 3.6-6.9 QG2 VAL 76 - HB3 LYS 73 far 10 95 10 - 3.7-7.1 QG2 VAL 76 - HB3 LYS 75 far 9 87 10 - 4.5-6.6 QD1 LEU 86 - HB2 LYS 83 far 7 69 10 - 3.1-12.1 QG2 VAL 41 - HB3 LYS 73 far 0 69 0 - 5.2-6.1 QG2 VAL 41 - HB3 LYS 75 far 0 61 0 - 5.3-6.7 QD1 LEU 86 - HB2 LYS 85 far 0 51 0 - 5.5-7.8 QG1 VAL 90 - HB2 LYS 85 far 0 70 0 - 5.6-16.8 HG LEU 51 - HB3 LYS 39 far 0 87 0 - 6.3-8.4 QG2 ILE 40 - HB3 LYS 39 far 0 83 0 - 6.4-6.8 QG1 VAL 90 - HB2 LYS 83 far 0 89 0 - 6.7-21.9 QG2 VAL 41 - HB3 LYS 39 far 0 71 0 - 6.7-7.3 QG2 VAL 76 - HB2 LYS 85 far 0 69 0 - 6.9-20.5 QG2 VAL 76 - HB2 LYS 83 far 0 88 0 - 7.1-15.3 QG2 ILE 40 - HB3 LYS 73 far 0 81 0 - 7.2-8.4 QG2 VAL 90 - HB2 LYS 83 far 0 88 0 - 7.4-21.3 QG2 VAL 90 - HB2 LYS 85 far 0 69 0 - 7.6-15.5 HG12 ILE 68 - HB3 LYS 75 far 0 87 0 - 8.7-12.1 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 8.9-10.4 QG1 VAL 76 - HB3 LYS 39 far 0 97 0 - 9.2-13.2 QG1 VAL 76 - HB2 LYS 85 far 0 69 0 - 9.3-21.6 QG1 VAL 76 - HB2 LYS 83 far 0 88 0 - 9.5-16.1 QG2 VAL 76 - HB3 LYS 39 far 0 97 0 - 9.8-14.2 Violated in 0 structures by 0.00 A. Peak 5109 from cnoeabs.peaks (0.83, 1.78, 32.41 ppm; 4.49 A increased from 4.23 A): 1 out of 11 assignments used, quality = 1.00: QD1 LEU 43 + HB3 LYS 39 OK 100 100 100 100 4.3-4.4 5214/3.5=79, 5357/3.0=67...(12) QD2 LEU 86 - HB2 LYS 85 far 11 75 15 - 4.3-7.6 QD2 LEU 86 - HB2 LYS 83 far 0 94 0 - 5.4-10.6 QG2 ILE 68 - HB3 LYS 75 far 0 66 0 - 6.5-8.6 QG2 ILE 68 - HB3 LYS 39 far 0 76 0 - 7.0-7.8 QG2 ILE 68 - HB3 LYS 73 far 0 74 0 - 7.8-8.6 QD1 LEU 43 - HB2 LYS 13 far 0 99 0 - 8.5-28.4 QG2 ILE 89 - HB2 LYS 85 far 0 70 0 - 8.6-15.5 QD1 ILE 89 - HB2 LYS 85 far 0 53 0 - 9.0-14.6 QD2 LEU 29 - HB2 LYS 13 far 0 92 0 - 9.0-18.9 QD2 LEU 64 - HB3 LYS 39 far 0 95 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 5110 from cnoeabs.peaks (0.91, 1.85, 32.41 ppm; 4.62 A): 1 out of 11 assignments used, quality = 0.80: QG1 VAL 76 + HB2 LYS 75 OK 80 81 100 99 2.4-4.9 814/340=73, 5328/3.5=62...(10) QG2 VAL 76 - HB2 LYS 75 far 8 81 10 - 3.6-6.6 HG LEU 51 - HB2 LYS 39 far 4 87 5 - 4.8-7.2 QG2 VAL 41 - HB2 LYS 75 far 0 55 0 - 5.1-7.3 QG2 ILE 40 - HB2 LYS 39 far 0 83 0 - 5.5-5.7 QG2 VAL 41 - HB2 LYS 39 far 0 71 0 - 6.0-6.7 QG2 ILE 40 - HB2 LYS 75 far 0 66 0 - 9.0-11.3 HG12 ILE 68 - HB2 LYS 39 far 0 97 0 - 9.2-10.6 QG1 VAL 76 - HB2 LYS 39 far 0 97 0 - 9.3-13.2 HG12 ILE 68 - HB2 LYS 75 far 0 81 0 - 9.4-12.5 QG2 VAL 76 - HB2 LYS 39 far 0 97 0 - 9.7-14.3 Violated in 3 structures by 0.04 A. Peak 5111 from cnoeabs.peaks (0.83, 1.85, 32.41 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: QD1 LEU 43 + HB2 LYS 39 OK 100 100 100 100 3.1-4.1 5214/3.5=74, 5357/3.0=62...(12) QG2 ILE 68 - HB2 LYS 39 far 0 76 0 - 6.0-6.9 QG2 ILE 68 - HB2 LYS 75 far 0 60 0 - 6.7-9.0 QD2 LEU 64 - HB2 LYS 39 far 0 95 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 5112 from cnoeabs.peaks (2.10, 1.78, 32.41 ppm; 4.31 A): 3 out of 11 assignments used, quality = 1.00: HG3 PRO 36 + HB3 LYS 39 OK 99 99 100 100 3.4-3.6 2.3/4877=66, 2.3/5584=50...(21) HG2 PRO 36 + HB3 LYS 39 OK 97 97 100 100 2.0-2.1 2.3/4877=66, 4870/2.9=56...(20) HB2 PRO 36 + HB3 LYS 39 OK 81 81 100 100 3.7-4.0 4877=75, 1.8/5584=54...(18) HG3 PRO 36 - HB2 LYS 13 far 0 97 0 - 5.1-29.2 HB ILE 40 - HB3 LYS 39 far 0 83 0 - 6.0-6.6 HB2 PRO 36 - HB2 LYS 13 far 0 78 0 - 6.4-28.3 HG2 PRO 36 - HB2 LYS 13 far 0 95 0 - 6.8-29.6 HB2 PRO 56 - HB2 LYS 13 far 0 89 0 - 7.1-30.1 HG3 PRO 56 - HB2 LYS 13 far 0 92 0 - 7.2-30.9 HB ILE 40 - HB3 LYS 73 far 0 81 0 - 9.4-10.4 HB ILE 40 - HB3 LYS 75 far 0 72 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 5113 from cnoeabs.peaks (2.10, 1.58, 28.78 ppm; 4.80 A): 4 out of 13 assignments used, quality = 1.00: HG3 PRO 36 + HD3 LYS 39 OK 99 99 100 100 2.9-4.1 2.3/4261=63, ~4893=51...(26) HG2 PRO 36 + HD2 LYS 39 OK 97 97 100 100 3.7-4.8 4870/3.0=68, 4893/3.0=66...(25) HG2 PRO 36 + HD3 LYS 39 OK 97 97 100 100 2.0-3.1 4870/3.0=68, 4893/3.0=66...(25) HG3 PRO 36 + HD2 LYS 39 OK 25 99 25 100 4.6-5.8 ~4261=56, ~4893=51...(26) HB2 PRO 36 - HD3 LYS 39 poor 16 81 20 - 4.1-5.3 HB2 PRO 36 - HD2 LYS 39 far 0 81 0 - 5.6-7.0 HB ILE 40 - HD2 LYS 39 far 0 83 0 - 7.0-8.5 HB3 PRO 44 - HD2 LYS 73 far 0 57 0 - 7.0-12.5 HB ILE 40 - HD3 LYS 73 far 0 47 0 - 7.3-11.4 HB ILE 40 - HD3 LYS 39 far 0 83 0 - 7.3-8.0 HB3 PRO 44 - HD3 LYS 73 far 0 57 0 - 7.5-12.1 HB ILE 40 - HD2 LYS 73 far 0 47 0 - 8.4-11.4 HB2 PRO 56 - HD3 LYS 32 far 0 50 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 5114 from cnoeabs.peaks (2.10, 2.98, 41.78 ppm; 4.16 A): 2 out of 33 assignments used, quality = 0.47: HG2 PRO 36 + HE2 LYS 39 OK 30 100 30 99 3.4-5.3 4893/3.6=49, 4870/3.6=47...(20) HG2 PRO 36 + HE3 LYS 39 OK 25 100 25 99 3.9-5.5 4893/3.6=49, 4870/3.6=47...(20) HG3 PRO 36 - HE2 LYS 39 poor 20 100 20 - 4.0-6.2 HG3 PRO 36 - HE3 LYS 39 poor 20 100 20 - 4.1-6.6 HB3 MET 31 - HE2 LYS 32 far 0 41 0 - 4.9-9.2 HB2 PRO 36 - HE2 LYS 39 far 0 65 0 - 5.5-7.5 HB2 PRO 56 - HE2 LYS 13 far 0 91 0 - 5.6-29.7 HB3 MET 31 - HE3 LYS 32 far 0 42 0 - 5.7-9.0 HB2 PRO 36 - HE3 LYS 39 far 0 65 0 - 6.0-7.8 HB3 PRO 44 - HE3 LYS 73 far 0 68 0 - 6.0-12.0 HB2 PRO 56 - HE3 LYS 13 far 0 90 0 - 6.5-31.0 HG3 PRO 56 - HE2 LYS 13 far 0 92 0 - 6.7-28.1 HB ILE 40 - HE2 LYS 39 far 0 68 0 - 6.8-9.9 HB3 PRO 44 - HE2 LYS 73 far 0 71 0 - 7.0-11.8 HB ILE 40 - HE3 LYS 39 far 0 68 0 - 7.3-10.1 HG3 PRO 36 - HE3 LYS 13 far 0 93 0 - 7.3-31.1 HG3 PRO 56 - HE3 LYS 13 far 0 91 0 - 7.3-29.2 HB3 PRO 44 - HE2 LYS 13 far 0 92 0 - 7.7-43.8 HG3 PRO 36 - HE2 LYS 13 far 0 94 0 - 7.9-30.5 HB ILE 40 - HE2 LYS 73 far 0 43 0 - 8.0-11.8 HB3 MET 31 - HE3 LYS 13 far 0 56 0 - 8.0-30.0 HB3 PRO 44 - HE3 LYS 13 far 0 91 0 - 8.6-44.4 HG2 PRO 36 - HE3 LYS 13 far 0 93 0 - 9.0-32.0 HB ILE 40 - HE3 LYS 73 far 0 41 0 - 9.1-12.9 HB2 PRO 56 - HE3 LYS 32 far 0 72 0 - 9.2-13.4 HB ILE 40 - HE3 LYS 75 far 0 54 0 - 9.3-16.2 HB ILE 40 - HE2 LYS 75 far 0 56 0 - 9.4-15.0 HB2 PRO 36 - HE3 LYS 13 far 0 56 0 - 9.6-31.6 HG2 PRO 36 - HE2 LYS 13 far 0 94 0 - 9.6-31.5 HB3 MET 31 - HE2 LYS 13 far 0 57 0 - 9.8-29.2 HB2 PRO 56 - HE2 LYS 32 far 0 69 0 - 9.9-13.6 HG3 PRO 56 - HE3 LYS 32 far 0 73 0 - 9.9-14.3 HB2 PRO 36 - HE2 LYS 13 far 0 57 0 - 9.9-31.2 Violated in 13 structures by 0.18 A. Peak 5115 from cnoeabs.peaks (0.83, 2.98, 41.78 ppm; 4.04 A): 2 out of 25 assignments used, quality = 1.00: QD1 LEU 43 + HE2 LYS 39 OK 99 100 100 99 2.1-4.1 5214/3.0=77, 5206/3.6=42...(15) QD1 LEU 43 + HE3 LYS 39 OK 94 100 95 99 1.9-5.4 5214/3.0=77, 5206/3.6=42...(15) QG2 ILE 68 - HE2 LYS 75 far 0 63 0 - 5.9-11.5 QD1 LEU 43 - HE2 LYS 13 far 0 94 0 - 6.2-29.8 QD2 LEU 29 - HE3 LYS 13 far 0 85 0 - 6.3-21.3 QG2 ILE 68 - HE3 LYS 75 far 0 61 0 - 6.3-12.4 QD2 LEU 29 - HE2 LYS 13 far 0 86 0 - 6.6-21.3 QD2 LEU 64 - HE2 LYS 32 far 0 65 0 - 7.0-10.4 QD2 LEU 64 - HE3 LYS 32 far 0 67 0 - 7.6-10.1 QG2 ILE 68 - HE2 LYS 73 far 0 48 0 - 7.6-10.5 QD1 LEU 43 - HE3 LYS 13 far 0 93 0 - 7.6-30.3 QG2 ILE 68 - HE2 LYS 39 far 0 76 0 - 7.6-10.6 QD2 LEU 29 - HE3 LYS 32 far 0 67 0 - 7.7-10.7 QG2 ILE 68 - HE3 LYS 73 far 0 46 0 - 7.8-11.3 QD2 LEU 64 - HE3 LYS 13 far 0 85 0 - 7.8-25.4 QG2 ILE 68 - HE3 LYS 39 far 0 76 0 - 8.3-10.5 QD1 LEU 43 - HE3 LYS 73 far 0 71 0 - 8.5-13.0 QD2 LEU 29 - HE2 LYS 32 far 0 65 0 - 8.5-10.8 QD1 LEU 43 - HE2 LYS 73 far 0 73 0 - 8.8-12.4 QD1 ILE 89 - HE2 LYS 73 far 0 52 0 - 8.8-32.4 QD1 ILE 89 - HE3 LYS 73 far 0 50 0 - 9.0-31.8 QD2 LEU 64 - HE2 LYS 39 far 0 95 0 - 9.1-12.9 QD2 LEU 64 - HE2 LYS 13 far 0 86 0 - 9.2-24.8 QD2 LEU 86 - HE2 LYS 73 far 0 73 0 - 9.3-23.9 QD2 LEU 86 - HE3 LYS 73 far 0 71 0 - 9.8-24.6 Violated in 0 structures by 0.00 A. Peak 5116 from cnoeabs.peaks (0.93, 2.98, 41.78 ppm; 4.96 A increased from 4.18 A): 4 out of 31 assignments used, quality = 1.00: QD2 LEU 43 + HE3 LYS 39 OK 95 95 100 100 2.8-5.2 ~5214=65, 4896/3.6=59...(14) QD2 LEU 43 + HE2 LYS 39 OK 81 96 85 100 2.6-5.4 ~5214=65, 4896/3.6=59...(14) QG1 VAL 76 + HE2 LYS 75 OK 33 83 45 88 3.0-7.0 5328/2.9=40, 5854/3.5=39...(7) QG1 VAL 76 + HE3 LYS 75 OK 29 81 40 88 2.9-7.3 5328/2.9=40, 5854/3.5=39...(7) QG1 VAL 76 - HE2 LYS 73 poor 16 66 25 - 4.1-8.1 QG2 VAL 76 - HE2 LYS 73 poor 13 66 20 - 3.3-8.9 QG1 VAL 76 - HE3 LYS 73 poor 13 63 20 - 4.0-8.0 QG2 VAL 76 - HE3 LYS 73 far 10 63 15 - 3.5-8.8 QG2 VAL 41 - HE2 LYS 73 far 7 73 10 - 5.1-7.6 QG2 VAL 41 - HE2 LYS 75 far 5 90 5 - 5.0-9.4 QG2 VAL 41 - HE3 LYS 75 far 4 88 5 - 5.0-10.4 QD2 LEU 43 - HE2 LYS 13 far 4 87 5 - 3.6-31.7 QD2 LEU 43 - HE3 LYS 13 far 4 86 5 - 5.0-32.3 QG2 VAL 76 - HE3 LYS 75 far 4 81 5 - 5.0-9.0 QG2 VAL 76 - HE2 LYS 75 far 0 83 0 - 5.3-8.9 QG2 VAL 41 - HE3 LYS 73 far 0 71 0 - 5.6-7.9 QG2 ILE 40 - HE2 LYS 73 far 0 73 0 - 5.8-9.7 QG2 ILE 40 - HE3 LYS 39 far 0 100 0 - 6.2-9.7 QG2 ILE 40 - HE2 LYS 39 far 0 100 0 - 6.2-9.2 QG2 ILE 40 - HE3 LYS 73 far 0 70 0 - 6.7-10.5 QD2 LEU 43 - HE2 LYS 73 far 0 66 0 - 7.9-12.2 QD2 LEU 43 - HE3 LYS 73 far 0 63 0 - 8.1-12.5 QG2 VAL 41 - HE2 LYS 39 far 0 100 0 - 8.2-10.2 QD1 LEU 64 - HE2 LYS 32 far 0 50 0 - 8.2-11.6 QG2 VAL 41 - HE3 LYS 39 far 0 100 0 - 8.2-10.0 HG12 ILE 68 - HE2 LYS 75 far 0 83 0 - 8.3-15.5 HG12 ILE 68 - HE3 LYS 75 far 0 81 0 - 8.7-16.4 QD1 LEU 64 - HE3 LYS 32 far 0 52 0 - 8.8-11.2 QG2 ILE 40 - HE3 LYS 75 far 0 88 0 - 8.9-14.3 QG2 ILE 40 - HE2 LYS 75 far 0 90 0 - 9.0-13.4 QD1 LEU 64 - HE3 LYS 13 far 0 68 0 - 9.6-27.2 Violated in 0 structures by 0.00 A. Peak 5117 from cnoeabs.peaks (0.93, 1.58, 28.78 ppm; 6.29 A): 8 out of 17 assignments used, quality = 1.00: QD2 LEU 43 + HD3 LYS 39 OK 87 87 100 100 4.9-5.3 ~5214=99, 4896/3.0=75...(15) QD2 LEU 43 + HD2 LYS 39 OK 87 87 100 100 3.5-4.9 2.1/5214=97, 4896/3.0=75...(14) QG2 VAL 41 + HD3 LYS 73 OK 42 60 70 100 3.6-7.2 ~4904=79, ~5256=74...(13) QG2 VAL 41 + HD2 LYS 73 OK 39 60 65 100 4.9-7.2 ~4904=79, ~5256=74...(13) QG1 VAL 76 + HD3 LYS 73 OK 34 61 65 86 2.5-7.1 5430/5.2=69, ~5436=23...(6) QG1 VAL 76 + HD2 LYS 73 OK 31 61 60 86 2.4-7.1 5430/5.2=69, ~5436=23...(5) QG2 VAL 76 + HD3 LYS 73 OK 24 61 65 61 2.5-7.8 ~5255=37, ~5436=23...(5) QG2 VAL 76 + HD2 LYS 73 OK 20 61 55 60 4.0-8.1 ~5255=37, ~5436=23...(4) QG2 ILE 40 - HD2 LYS 39 poor 20 100 20 - 6.4-8.0 QG2 ILE 40 - HD2 LYS 73 poor 16 62 25 - 6.4-9.6 QG2 ILE 40 - HD3 LYS 73 far 6 62 10 - 5.6-9.3 QG2 ILE 40 - HD3 LYS 39 far 0 100 0 - 6.9-7.9 QG2 VAL 41 - HD3 LYS 39 far 0 99 0 - 7.8-8.6 QG2 VAL 41 - HD2 LYS 39 far 0 99 0 - 7.8-9.0 QD2 LEU 43 - HD2 LYS 73 far 0 48 0 - 8.3-12.0 QD1 LEU 64 - HD2 LYS 32 far 0 32 0 - 8.6-10.9 QD2 LEU 43 - HD3 LYS 73 far 0 48 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 5118 from cnoeabs.peaks (0.83, 1.58, 28.78 ppm; 4.86 A): 2 out of 13 assignments used, quality = 1.00: QD1 LEU 43 + HD2 LYS 39 OK 100 100 100 100 2.2-4.2 5214=97, 5111/3.5=69...(19) QD1 LEU 43 + HD3 LYS 39 OK 100 100 100 100 3.5-4.8 5214/1.8=100...(19) QG2 ILE 68 - HD3 LYS 73 far 0 40 0 - 6.6-10.1 QD2 LEU 64 - HD2 LYS 32 far 0 55 0 - 7.5-9.2 QG2 ILE 68 - HD2 LYS 73 far 0 40 0 - 7.9-9.9 QG2 ILE 68 - HD3 LYS 39 far 0 76 0 - 8.1-8.8 QD1 LEU 43 - HD2 LYS 73 far 0 63 0 - 8.4-12.4 QG2 ILE 68 - HD2 LYS 39 far 0 76 0 - 8.4-9.6 QD2 LEU 29 - HD2 LYS 32 far 0 55 0 - 8.5-10.0 QD1 LEU 43 - HD3 LYS 73 far 0 63 0 - 8.6-12.3 QD1 ILE 89 - HD3 LYS 73 far 0 44 0 - 9.1-31.4 QD1 ILE 89 - HD2 LYS 73 far 0 44 0 - 9.6-30.7 QD2 LEU 64 - HD3 LYS 39 far 0 95 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5119 from cnoeabs.peaks (0.91, 1.55, 25.35 ppm; 5.60 A increased from 4.72 A): 2 out of 5 assignments used, quality = 0.83: HG LEU 51 + HG2 LYS 39 OK 64 92 70 100 5.5-6.0 2.1/6087=82, ~6094=64...(13) QG2 ILE 40 + HG2 LYS 39 OK 51 76 95 71 5.2-7.4 4301/6087=38...(4) QG2 VAL 41 - HG2 LYS 39 far 0 63 0 - 6.6-8.4 QG2 VAL 76 - HG2 LYS 39 far 0 93 0 - 9.8-14.6 QG1 VAL 76 - HG2 LYS 39 far 0 93 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 5120 from cnoeabs.peaks (7.16, 3.63, 64.52 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 48 + HA ILE 40 OK 99 100 100 100 3.4-4.0 2.2/4325=68, 4612/3.2=58...(14) Violated in 0 structures by 0.00 A. Peak 5121 from cnoeabs.peaks (6.95, 3.63, 64.52 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.97: QE PHE 35 + HA ILE 40 OK 97 97 100 100 4.5-4.7 4573/4.0=57, 2.2/5608=55...(11) HZ PHE 48 - HA ILE 40 far 0 99 0 - 5.6-6.4 HZ PHE 35 - HA ILE 40 far 0 98 0 - 6.2-6.4 HD22 ASN 42 - HA ILE 40 far 0 89 0 - 7.7-8.4 Violated in 4 structures by 0.00 A. Peak 5123 from cnoeabs.peaks (1.74, 3.63, 64.52 ppm; 5.18 A): 1 out of 4 assignments used, quality = 0.90: HB2 LEU 43 + HA ILE 40 OK 90 90 100 100 3.1-3.5 3.1/4296=81, 3.0/5125=73...(7) HB ILE 33 - HA ILE 40 far 0 63 0 - 9.1-9.4 HB2 ARG 54 - HA ILE 40 far 0 71 0 - 9.4-10.6 HG2 PRO 34 - HA ILE 40 far 0 85 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 5124 from cnoeabs.peaks (1.43, 3.63, 64.52 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.99: HB3 LEU 43 + HA ILE 40 OK 97 97 100 100 4.6-5.2 1.8/5123=87, 3.1/4296=86...(6) HG3 LYS 39 + HA ILE 40 OK 73 76 100 96 4.5-5.4 ~129=56, ~130=53...(6) Violated in 0 structures by 0.00 A. Peak 5125 from cnoeabs.peaks (1.99, 3.63, 64.52 ppm; 4.90 A increased from 4.61 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 43 + HA ILE 40 OK 100 100 100 100 4.5-4.7 2.1/4296=88, 623/4372=72...(6) HG2 ARG 66 - HA ILE 40 far 0 83 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 5127 from cnoeabs.peaks (5.92, 0.93, 18.83 ppm; 6.28 A): 0 out of 0 assignments used, quality = 0.00: Peak 5128 from cnoeabs.peaks (7.05, 0.93, 18.83 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.92: QD PHE 48 + QG2 ILE 40 OK 92 92 100 100 2.3-2.7 2.2/4323=89, 3.8/4617=68...(28) Violated in 0 structures by 0.00 A. Peak 5130 from cnoeabs.peaks (3.64, 0.94, 22.13 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.93: HA ARG 69 + QG2 VAL 41 OK 93 97 100 96 1.9-2.6 4769=34, 15492/5055=32...(18) HA ILE 40 - QG2 VAL 41 far 0 99 0 - 4.5-4.7 HA VAL 65 - QG2 VAL 41 far 0 98 0 - 6.2-6.9 HD3 PRO 44 - QG2 VAL 41 far 0 60 0 - 8.7-9.2 Violated in 0 structures by 0.00 A. Peak 5131 from cnoeabs.peaks (8.77, 2.09, 32.30 ppm; 4.37 A): 2 out of 2 assignments used, quality = 1.00: H ASP 46 + HB3 PRO 44 OK 99 100 100 99 2.3-2.3 919/4431=72, 5132/1.8=67...(7) H PHE 48 + HB3 PRO 44 OK 93 99 100 93 4.5-4.6 171/4431=71, 4457/2.3=63...(4) Violated in 0 structures by 0.00 A. Peak 5132 from cnoeabs.peaks (8.77, 2.48, 32.30 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.98: H ASP 46 + HB2 PRO 44 OK 98 100 100 98 4.0-4.1 162/156=64, 919/4392=63...(5) H PHE 48 - HB2 PRO 44 far 0 100 0 - 5.6-5.7 Violated in 0 structures by 0.00 A. Peak 5134 from cnoeabs.peaks (2.59, 2.05, 27.95 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASP 47 + HG2 PRO 44 OK 100 100 100 100 2.0-3.3 4397/2.3=87, 638/6063=85...(13) Violated in 0 structures by 0.00 A. Peak 5135 from cnoeabs.peaks (2.59, 2.14, 27.95 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASP 47 + HG3 PRO 44 OK 100 100 100 100 3.3-4.4 4397/2.3=92, 638/6064=86...(10) Violated in 0 structures by 0.00 A. Peak 5136 from cnoeabs.peaks (0.82, 7.07, 131.51 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 43 + QD PHE 48 OK 97 97 100 100 3.7-4.0 4370=98, 5295/3.7=96...(17) QG2 ILE 68 + QD PHE 48 OK 93 94 100 98 5.8-6.6 5249/5619=79...(6) QG1 VAL 41 - QD PHE 48 poor 17 69 70 36 6.7-7.0 4350/5613=25...(3) QD2 LEU 64 - QD PHE 48 far 0 72 0 - 8.1-8.9 QD1 ILE 89 - QD PHE 48 far 0 96 0 - 9.5-33.9 Violated in 0 structures by 0.00 A. Peak 5139 from cnoeabs.peaks (7.04, 1.60, 41.26 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.81: QD PHE 48 + HB3 LEU 51 OK 81 81 100 100 3.5-3.9 3.7/4523=93, 4625/3.1=81...(11) Violated in 0 structures by 0.00 A. Peak 5140 from cnoeabs.peaks (7.35, 0.89, 26.17 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.95: QD TYR 55 + HG LEU 51 OK 95 95 100 100 2.7-3.7 2.2/5223=98, ~4647=97...(19) Violated in 0 structures by 0.00 A. Peak 5141 from cnoeabs.peaks (7.53, 3.81, 57.23 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.99: H ARG 54 + HA LEU 52 OK 99 100 100 100 3.8-4.5 4966=85, 926/3.6=82...(7) H LEU 51 - HA LEU 52 far 0 99 0 - 5.3-5.4 Violated in 0 structures by 0.00 A. Peak 5142 from cnoeabs.peaks (7.32, 3.89, 57.93 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.90: QD TYR 55 + HA LEU 51 OK 90 90 100 100 3.4-4.0 2.2/4638=93, 4632=86...(15) Violated in 0 structures by 0.00 A. Peak 5143 from cnoeabs.peaks (7.68, 3.81, 57.23 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.98: H TYR 55 + HA LEU 52 OK 98 98 100 100 3.5-4.0 4581=98, 210/5141=73...(8) H GLN 61 - HA LEU 52 far 0 100 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 5144 from cnoeabs.peaks (0.62, 1.76, 30.94 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + HB2 ARG 54 OK 100 100 100 100 2.5-3.2 4517=98, 2245/5219=84...(10) QD1 LEU 51 - HB2 PRO 34 poor 15 50 30 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 5145 from cnoeabs.peaks (0.60, 1.55, 30.94 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.78: QD1 LEU 51 + HB3 ARG 54 OK 78 78 100 100 3.3-3.7 4647/4644=85...(11) Violated in 0 structures by 0.00 A. Peak 5146 from cnoeabs.peaks (0.18, 1.76, 30.94 ppm; 6.18 A): 1 out of 2 assignments used, quality = 0.92: QD2 LEU 51 + HB2 ARG 54 OK 92 92 100 100 5.2-5.5 2.1/4517=98, 4.0/5219=90...(9) QD2 LEU 51 - HB2 PRO 34 far 0 42 0 - 6.5-8.1 Violated in 0 structures by 0.00 A. Peak 5147 from cnoeabs.peaks (0.62, 7.34, 134.10 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 51 + QD TYR 55 OK 100 100 100 100 2.1-3.1 2.1/4655=100...(25) Violated in 0 structures by 0.00 A. Peak 5148 from cnoeabs.peaks (1.55, 7.34, 134.10 ppm; 6.23 A): 2 out of 4 assignments used, quality = 1.00: HB3 ARG 54 + QD TYR 55 OK 100 100 100 100 2.8-3.3 4644/2.2=100, 213/687=97...(23) HG3 ARG 54 + QD TYR 55 OK 68 68 100 100 4.6-5.4 1.8/4968=94, 4.8/687=88...(28) HG2 LYS 39 - QD TYR 55 far 0 100 0 - 7.1-8.2 HG LEU 62 - QD TYR 55 far 0 90 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 5149 from cnoeabs.peaks (1.01, 2.94, 40.22 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.95: QD1 LEU 57 + HB3 TYR 55 OK 95 95 100 100 3.6-4.6 2.1/4590=75, 4586/1.8=74...(16) QD1 ILE 40 - HB3 TYR 55 far 0 78 0 - 8.0-9.2 Violated in 1 structures by 0.00 A. Peak 5150 from cnoeabs.peaks (2.79, 1.95, 26.44 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 55 + HG LEU 57 OK 99 99 100 100 2.5-3.3 4584=99, 4587/2.1=88...(16) Violated in 0 structures by 0.00 A. Peak 5151 from cnoeabs.peaks (2.93, 1.95, 26.44 ppm; 5.23 A): 1 out of 4 assignments used, quality = 0.99: HB3 TYR 55 + HG LEU 57 OK 99 99 100 100 2.8-3.8 1.8/4584=93, 4590/2.1=88...(16) HB3 PHE 35 - HG LEU 57 far 0 81 0 - 7.9-8.1 HE2 LYS 32 - HG LEU 57 far 0 78 0 - 9.2-13.4 HE3 LYS 32 - HG LEU 57 far 0 76 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 5152 from cnoeabs.peaks (2.81, 0.71, 23.03 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 55 + QD2 LEU 57 OK 100 100 100 100 2.9-3.8 4587=100, 1.8/4604=85...(15) Violated in 0 structures by 0.00 A. Peak 5154 from cnoeabs.peaks (0.44, 1.00, 27.02 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 52 + QD1 LEU 57 OK 99 99 100 100 4.1-4.6 2.1/4613=98, 3.1/4986=78...(12) Violated in 0 structures by 0.00 A. Peak 5159 from cnoeabs.peaks (9.04, 2.16, 34.98 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.92: H THR 58 + HG3 GLN 61 OK 92 92 100 100 4.1-5.1 5753=92, 5090/1.8=91...(9) Violated in 0 structures by 0.00 A. Peak 5161 from cnoeabs.peaks (1.65, 0.84, 25.67 ppm; 4.34 A increased from 3.86 A): 3 out of 11 assignments used, quality = 0.94: HB3 GLN 61 + QD2 LEU 64 OK 86 93 100 93 4.1-4.5 3.0/4384=35, ~4505=32...(10) HG2 ARG 27 + QD2 LEU 64 OK 36 93 40 97 3.5-5.8 2.9/5028=51, ~5374=40...(15) HG3 ARG 27 + QD2 LEU 64 OK 32 95 35 97 3.6-5.6 2.9/5028=51, ~5374=40...(15) HG LEU 29 - QD2 LEU 64 far 0 60 0 - 6.2-6.8 HG2 ARG 26 - QD2 LEU 64 far 0 73 0 - 6.8-9.7 HG2 ARG 71 - QD2 LEU 64 far 0 68 0 - 7.0-9.9 HD3 LYS 13 - QD2 LEU 64 far 0 83 0 - 8.4-26.5 HG3 ARG 17 - QD2 LEU 64 far 0 68 0 - 8.7-19.1 HD2 LYS 13 - QD2 LEU 64 far 0 83 0 - 8.9-26.0 HG2 ARG 23 - QD2 LEU 64 far 0 71 0 - 9.0-12.0 HG2 ARG 17 - QD2 LEU 64 far 0 65 0 - 9.7-18.6 Violated in 0 structures by 0.00 A. Peak 5162 from cnoeabs.peaks (1.34, 0.84, 25.67 ppm; 3.82 A): 1 out of 6 assignments used, quality = 0.99: QB ALA 28 + QD2 LEU 64 OK 99 100 100 99 3.4-3.8 2.1/4173=72, 4177=49...(13) HG3 LYS 32 - QD2 LEU 64 far 0 97 0 - 7.2-8.3 QG2 THR 58 - QD2 LEU 64 far 0 68 0 - 8.1-8.4 QB ALA 16 - QD2 LEU 64 far 0 81 0 - 8.2-15.8 HB2 LEU 52 - QD2 LEU 64 far 0 100 0 - 8.8-10.4 QB ALA 12 - QD2 LEU 64 far 0 99 0 - 9.5-21.3 Violated in 0 structures by 0.00 A. Peak 5163 from cnoeabs.peaks (1.95, 1.21, 23.08 ppm; 4.67 A): 3 out of 8 assignments used, quality = 1.00: HG LEU 57 + QG2 VAL 65 OK 100 100 100 100 4.4-5.0 2.1/4611=83, 2.1/4987=53...(11) HB2 LEU 64 + QG2 VAL 65 OK 83 83 100 100 3.1-3.3 3.1/5965=77, 266/738=72...(11) HB2 MET 31 + QG2 VAL 65 OK 21 90 35 66 4.9-5.4 6121/5965=48...(4) HG13 ILE 68 - QG2 VAL 65 far 0 63 0 - 5.1-5.4 HB3 ARG 66 - QG2 VAL 65 far 0 97 0 - 5.4-5.7 HB3 ARG 70 - QG2 VAL 65 far 0 100 0 - 8.9-11.1 HB2 ARG 70 - QG2 VAL 65 far 0 100 0 - 9.5-10.9 HB VAL 41 - QG2 VAL 65 far 0 78 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 5164 from cnoeabs.peaks (1.90, 1.23, 22.65 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: HG12 ILE 40 + QG1 VAL 65 OK 100 100 100 100 3.5-4.1 3.2/5034=74, 2.1/5035=54...(18) HB ILE 68 + QG1 VAL 65 OK 99 100 100 100 3.8-4.0 4750/3.2=65, 2.1/5964=61...(16) HG13 ILE 68 - QG1 VAL 65 far 0 76 0 - 5.2-5.4 HB2 ARG 66 - QG1 VAL 65 far 0 71 0 - 5.8-5.9 HB VAL 41 - QG1 VAL 65 far 0 60 0 - 8.0-8.4 HB3 PRO 34 - QG1 VAL 65 far 0 65 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 5165 from cnoeabs.peaks (4.06, 1.70, 28.91 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 63 + HG3 ARG 66 OK 100 100 100 100 3.0-5.1 5370/1.8=100...(9) HA GLU 59 - HG3 ARG 66 far 0 83 0 - 6.9-9.6 Violated in 0 structures by 0.00 A. Peak 5166 from cnoeabs.peaks (4.07, 3.19, 43.48 ppm; 4.82 A increased from 4.54 A): 6 out of 32 assignments used, quality = 1.00: HA ALA 63 + HD2 ARG 66 OK 79 99 80 100 2.7-6.1 4684/3.4=73, 5370/3.0=69...(9) HA ALA 63 + HD3 ARG 66 OK 79 99 80 100 2.7-6.4 4684/3.4=73, 5370/3.0=69...(9) HA ARG 71 + HD3 ARG 71 OK 55 55 100 100 2.2-5.0 4.7=100 HA ARG 26 + HD3 ARG 26 OK 53 53 100 100 2.4-4.8 4.8=100 HA ARG 26 + HD2 ARG 26 OK 47 52 90 100 2.4-5.4 4.8=100 HA ARG 71 + HD2 ARG 70 OK 21 87 25 95 3.9-7.8 ~307=40, 5395/3.0=24...(16) HA ARG 71 - HD3 ARG 70 far 14 90 15 - 4.1-7.9 HA ARG 26 - HD2 ARG 27 far 2 45 5 - 5.1-8.3 HA ARG 26 - HD3 ARG 27 far 0 45 0 - 5.2-8.8 HA GLU 25 - HD2 ARG 27 far 0 33 0 - 5.9-8.8 HA GLU 25 - HD3 ARG 27 far 0 33 0 - 6.3-8.5 HA ARG 26 - HD2 ARG 17 far 0 30 0 - 6.4-17.1 HA ARG 26 - HD3 ARG 17 far 0 30 0 - 6.7-18.1 HA GLU 25 - HD2 ARG 26 far 0 38 0 - 6.7-8.2 HA GLU 59 - HD2 ARG 66 far 0 71 0 - 6.8-10.5 HA GLU 25 - HD3 ARG 26 far 0 39 0 - 6.8-8.2 HA ARG 26 - HD2 ARG 23 far 0 38 0 - 6.9-11.4 HA GLU 59 - HD3 ARG 66 far 0 71 0 - 6.9-9.7 HA ARG 26 - HD3 ARG 23 far 0 38 0 - 7.4-10.8 HA ALA 63 - HD2 ARG 70 far 0 85 0 - 7.7-12.6 HA ARG 71 - HD2 ARG 27 far 0 43 0 - 7.8-12.9 HA ALA 63 - HD3 ARG 70 far 0 89 0 - 7.9-12.5 HA GLU 25 - HD2 ARG 23 far 0 28 0 - 8.3-10.8 HA ARG 71 - HD3 ARG 27 far 0 43 0 - 8.7-13.4 HA GLU 25 - HD3 ARG 23 far 0 28 0 - 8.7-11.1 HA GLU 25 - HD3 ARG 71 far 0 42 0 - 8.9-15.3 HA GLU 25 - HD3 ARG 17 far 0 21 0 - 9.0-18.3 HA GLU 25 - HD2 ARG 17 far 0 21 0 - 9.2-17.0 HA ARG 71 - HD2 ARG 23 far 0 37 0 - 9.4-14.5 HA ARG 71 - HD3 ARG 23 far 0 37 0 - 9.7-15.0 HA ALA 63 - HD2 ARG 27 far 0 42 0 - 9.8-13.4 HA ALA 63 - HD3 ARG 27 far 0 42 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 5167 from cnoeabs.peaks (4.06, 2.01, 28.91 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: HA ALA 63 + HG2 ARG 66 OK 100 100 100 100 2.9-4.6 5370=100, 4684/2.8=88...(9) HA GLU 59 - HG2 ARG 66 far 0 83 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 5168 from cnoeabs.peaks (1.20, 1.92, 28.80 ppm; 6.19 A): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 65 + HG13 ILE 68 OK 95 95 100 100 5.1-5.4 3.2/5044=89, ~4706=80...(13) QG2 THR 37 + HG13 ILE 68 OK 60 63 95 100 4.6-6.8 ~4763=75, 4885/1.8=63...(15) HG13 ILE 33 + HG13 ILE 68 OK 52 83 85 74 6.1-6.6 ~5376=64, 4853/6103=25 Violated in 0 structures by 0.00 A. Peak 5170 from cnoeabs.peaks (0.94, 1.61, 28.78 ppm; 5.51 A): 5 out of 24 assignments used, quality = 0.94: QD2 LEU 43 + HD2 LYS 39 OK 61 61 100 100 3.5-4.9 2.1/5214=87, 4896/3.0=79...(14) QD2 LEU 43 + HD3 LYS 39 OK 58 58 100 100 4.9-5.3 ~5214=93, 4896/3.0=79...(15) QG1 VAL 76 + HD3 LYS 73 OK 37 93 55 72 2.5-7.1 5430/5.2=53, ~5436=18...(6) HG12 ILE 68 + HG2 ARG 71 OK 30 89 50 67 4.1-8.4 4.0/5045=55, 3.2/5171=9...(5) QG1 VAL 76 + HD2 LYS 73 OK 23 93 35 71 2.4-7.1 5430/5.2=53, ~5436=18...(5) QG2 VAL 41 - HD2 LYS 73 poor 20 100 20 100 4.9-7.2 ~4904=64, ~5256=60...(13) QG2 VAL 41 - HG2 ARG 71 poor 20 98 20 - 4.0-7.5 QG2 VAL 76 - HD3 LYS 73 poor 16 93 35 49 2.5-7.8 ~5255=28, ~5436=18...(4) QG2 VAL 76 - HD2 LYS 73 poor 15 93 35 47 4.0-8.1 ~5255=28, ~5436=18, ~5854=8 QG2 VAL 41 - HD3 LYS 73 far 10 100 10 - 3.6-7.2 QG2 ILE 40 - HD3 LYS 73 far 5 100 5 - 5.6-9.3 QG2 ILE 40 - HG2 ARG 71 far 5 97 5 - 5.5-8.7 QD1 LEU 64 - HG2 ARG 71 far 4 78 5 - 5.7-8.0 QG2 ILE 40 - HD2 LYS 39 far 0 64 0 - 6.4-8.0 QG2 ILE 40 - HD2 LYS 73 far 0 100 0 - 6.4-9.6 QG2 ILE 40 - HD3 LYS 39 far 0 62 0 - 6.9-7.9 QG2 VAL 76 - HG2 ARG 71 far 0 89 0 - 7.1-12.6 QG1 VAL 76 - HG2 ARG 71 far 0 89 0 - 7.2-10.4 QG2 VAL 41 - HD3 LYS 39 far 0 63 0 - 7.8-8.6 QG2 VAL 41 - HD2 LYS 39 far 0 65 0 - 7.8-9.0 QD2 LEU 43 - HD2 LYS 73 far 0 97 0 - 8.3-12.0 QD1 LEU 64 - HD2 LYS 32 far 0 83 0 - 8.6-10.9 QD2 LEU 43 - HD3 LYS 73 far 0 97 0 - 8.8-12.1 QD1 LEU 64 - HD3 LYS 32 far 0 83 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 5171 from cnoeabs.peaks (0.81, 1.61, 28.78 ppm; 4.97 A): 5 out of 23 assignments used, quality = 0.99: QG1 VAL 41 + HD2 LYS 73 OK 79 83 95 100 3.1-5.4 4904/2.9=66, 5262/3.5=56...(14) QG1 VAL 41 + HD3 LYS 73 OK 70 83 85 100 2.3-5.8 4904/2.9=66, 5262/3.5=56...(15) QD1 LEU 43 + HD2 LYS 39 OK 56 56 100 100 2.2-4.2 5214=81, 5111/3.5=57...(18) QD1 LEU 43 + HD3 LYS 39 OK 54 54 100 100 3.5-4.8 5214/1.8=93, 5111/3.5=57...(18) QG2 ILE 68 + HG2 ARG 71 OK 36 96 40 94 3.3-7.2 3.2/5045=50, ~5985=40...(12) QG1 VAL 41 - HG2 ARG 71 far 0 78 0 - 5.3-8.6 QG2 ILE 68 - HD3 LYS 73 far 0 99 0 - 6.6-10.1 QD2 LEU 64 - HG2 ARG 71 far 0 56 0 - 7.0-9.9 QD2 LEU 64 - HD2 LYS 32 far 0 60 0 - 7.5-9.2 QD2 LEU 64 - HD3 LYS 32 far 0 60 0 - 7.9-9.3 QG2 ILE 68 - HD2 LYS 73 far 0 99 0 - 7.9-9.9 QG2 ILE 68 - HD3 LYS 39 far 0 60 0 - 8.1-8.8 QD1 LEU 43 - HD2 LYS 73 far 0 93 0 - 8.4-12.4 QG2 ILE 68 - HD2 LYS 39 far 0 63 0 - 8.4-9.6 QD2 LEU 29 - HD3 LYS 32 far 0 60 0 - 8.4-10.0 QG1 VAL 41 - HD2 LYS 39 far 0 47 0 - 8.4-9.8 QD2 LEU 29 - HD2 LYS 32 far 0 60 0 - 8.5-10.0 QD1 LEU 43 - HD3 LYS 73 far 0 93 0 - 8.6-12.3 QG1 VAL 41 - HD3 LYS 39 far 0 45 0 - 8.8-9.8 QD1 ILE 89 - HD3 LYS 73 far 0 100 0 - 9.1-31.4 QD2 LEU 86 - HG2 ARG 71 far 0 84 0 - 9.4-29.4 QD1 ILE 89 - HD2 LYS 73 far 0 100 0 - 9.6-30.7 QD2 LEU 64 - HD3 LYS 39 far 0 31 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5172 from cnoeabs.peaks (0.16, 3.63, 64.52 ppm; 5.70 A): 0 out of 0 assignments used, quality = 0.00: Peak 5173 from cnoeabs.peaks (0.17, 1.03, 14.28 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.83: QD2 LEU 51 + QD1 ILE 40 OK 83 83 100 100 3.7-4.3 4301/1942=78...(15) Violated in 0 structures by 0.00 A. Peak 5174 from cnoeabs.peaks (0.22, 0.93, 18.83 ppm; 5.89 A): 0 out of 0 assignments used, 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 = 0.92: QD1 LEU 51 + QG2 ILE 40 OK 92 92 100 100 5.6-6.2 2.1/4301=100, ~5173=72...(13) Violated in 0 structures by 0.00 A. Peak 5177 from cnoeabs.peaks (1.01, 0.62, 23.89 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.64: QD1 LEU 57 + QD1 LEU 51 OK 64 97 90 73 4.2-5.2 5730/4946=34...(6) QD1 ILE 40 - QD1 LEU 51 far 0 71 0 - 5.4-6.1 QG1 VAL 45 - QD1 LEU 51 far 0 83 0 - 9.5-9.8 Violated in 3 structures by 0.07 A. Peak 5178 from cnoeabs.peaks (1.88, 0.19, 24.73 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.92: HB2 LYS 39 + QD2 LEU 51 OK 81 81 100 100 2.2-4.1 1.8/5205=81, 5204=79...(13) HG12 ILE 40 + QD2 LEU 51 OK 60 60 100 100 3.3-4.0 2.1/5173=65, 3.2/4301=64...(14) HB ILE 68 - QD2 LEU 51 far 0 81 0 - 6.2-7.2 HB3 PRO 34 - QD2 LEU 51 far 0 100 0 - 6.9-8.3 HB2 ARG 66 - QD2 LEU 51 far 0 100 0 - 8.9-9.5 HB2 ARG 71 - QD2 LEU 51 far 0 76 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 5186 from cnoeabs.peaks (0.80, 4.09, 58.48 ppm; 5.82 A increased from 4.90 A): 4 out of 10 assignments used, quality = 0.97: QD1 ILE 68 + HA GLU 25 OK 84 92 95 96 4.9-6.1 4758/4181=87...(4) QG2 ILE 68 + HA GLU 25 OK 55 95 65 89 5.1-6.5 4754/5105=85, 4755/4181=27 QD1 ILE 68 + HA ARG 27 OK 46 46 100 99 4.8-5.8 5909/3.6=78, 4758/5.0=70...(6) QG2 ILE 68 + HA ARG 71 OK 25 84 30 99 5.5-7.0 ~15389=54, ~5389=54...(10) QG1 VAL 41 - HA ARG 71 far 5 93 5 - 6.0-6.9 QG2 ILE 68 - HA ARG 27 far 0 48 0 - 6.9-8.0 QD1 ILE 68 - HA ARG 26 far 0 67 0 - 7.1-8.1 QD1 ILE 68 - HA ARG 71 far 0 81 0 - 7.8-8.8 QG2 ILE 68 - HA ARG 26 far 0 70 0 - 8.4-9.7 QG1 VAL 41 - HA GLU 25 far 0 100 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5187 from cnoeabs.peaks (4.48, 1.85, 30.20 ppm; 3.98 A): 3 out of 13 assignments used, quality = 0.99: HA ASP 24 + HB2 ARG 27 OK 97 100 100 97 2.2-4.0 4157=75, 5383/4.1=42...(11) HA ASP 24 + HB3 ARG 27 OK 62 100 65 95 3.2-5.1 4157/1.8=65, 5383/4.1=42...(10) HA ASP 24 + HB3 ARG 23 OK 31 83 55 69 3.9-5.6 3.0/45=32, ~44=20...(8) HA ASP 24 - HB2 ARG 23 far 12 82 15 - 4.0-5.6 HA ASP 67 - HB3 ARG 71 far 5 99 5 - 4.3-7.4 HA ASP 67 - HB2 ARG 66 far 0 58 0 - 4.3-4.5 HA ASP 24 - HB2 ARG 26 far 0 56 0 - 4.3-7.0 HA ASP 67 - HB2 ARG 71 far 0 98 0 - 4.6-6.3 HA ASP 24 - HB3 ARG 26 far 0 54 0 - 6.0-7.1 HA ASP 24 - HB3 ARG 71 far 0 100 0 - 6.2-9.1 HA ASP 24 - HB2 ARG 71 far 0 100 0 - 6.3-8.6 HA ASP 67 - HB3 ARG 27 far 0 99 0 - 8.9-9.8 HA ASP 67 - HB2 ARG 27 far 0 99 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 5188 from cnoeabs.peaks (7.89, 4.16, 56.71 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.90: H ILE 33 + HA LEU 29 OK 90 92 100 98 3.4-3.7 5179=91, 5303/4183=54...(5) Violated in 0 structures by 0.00 A. Peak 5189 from cnoeabs.peaks (2.00, 4.42, 55.00 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.99: QE MET 31 + HA MET 31 OK 99 99 100 100 2.4-3.0 5080=89, 3.3/1529=62...(9) HB2 LEU 64 - HA MET 31 far 0 73 0 - 6.0-6.5 HG3 PRO 14 - HA MET 31 far 0 97 0 - 9.5-28.8 HG2 PRO 14 - HA MET 31 far 0 97 0 - 9.8-27.4 Violated in 0 structures by 0.00 A. Peak 5190 from cnoeabs.peaks (2.00, 2.63, 32.57 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: QE MET 31 + HG2 MET 31 OK 99 99 100 100 2.4-3.4 3.3=100 HB2 LEU 64 + HG2 MET 31 OK 67 73 95 97 2.7-3.9 3.1/4198=48, 3.1/5310=36...(16) HG2 ARG 66 - HG2 MET 31 far 0 92 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 5191 from cnoeabs.peaks (2.00, 2.52, 32.57 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.97: QE MET 31 + HG3 MET 31 OK 97 97 100 100 2.6-3.4 3.3=100 HB2 LEU 64 - HG3 MET 31 far 0 60 0 - 4.4-5.0 Violated in 0 structures by 0.00 A. Peak 5195 from cnoeabs.peaks (1.33, 0.31, 17.04 ppm; 4.26 A): 1 out of 8 assignments used, quality = 1.00: QB ALA 28 + QG2 ILE 33 OK 100 100 100 100 3.3-3.8 4180/2.1=88, 4179=71...(16) QB ALA 16 - QG2 ILE 33 far 0 73 0 - 6.3-16.4 HB2 LEU 51 - QG2 ILE 33 far 0 93 0 - 7.4-7.9 HB2 LEU 52 - QG2 ILE 33 far 0 100 0 - 7.5-8.4 HG3 LYS 32 - QG2 ILE 33 far 0 99 0 - 7.6-7.9 QG2 THR 58 - QG2 ILE 33 far 0 76 0 - 8.1-8.5 QB ALA 12 - QG2 ILE 33 far 0 100 0 - 9.3-21.2 HG2 ARG 54 - QG2 ILE 33 far 0 60 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 5196 from cnoeabs.peaks (1.33, 0.71, 10.77 ppm; 4.16 A increased from 3.70 A): 1 out of 7 assignments used, quality = 1.00: QB ALA 28 + QD1 ILE 33 OK 100 100 100 100 3.6-4.0 4178=90, 4180/3.2=69...(16) HG3 LYS 32 - QD1 ILE 33 far 0 99 0 - 5.4-6.4 QG2 THR 58 - QD1 ILE 33 far 0 76 0 - 6.6-7.1 QB ALA 16 - QD1 ILE 33 far 0 73 0 - 6.8-16.0 HB2 LEU 52 - QD1 ILE 33 far 0 100 0 - 7.7-8.9 HB2 LEU 51 - QD1 ILE 33 far 0 93 0 - 9.3-10.0 QB ALA 12 - QD1 ILE 33 far 0 100 0 - 9.6-20.4 Violated in 0 structures by 0.00 A. Peak 5197 from cnoeabs.peaks (1.18, 0.31, 17.04 ppm; 3.32 A): 0 out of 3 assignments used, quality = 0.00: QG2 THR 37 - QG2 ILE 33 far 5 100 5 - 3.6-5.7 QG2 THR 15 - QG2 ILE 33 far 0 90 0 - 5.9-16.4 HG LEU 52 - QG2 ILE 33 far 0 83 0 - 7.3-7.7 Violated in 20 structures by 0.77 A. Peak 5198 from cnoeabs.peaks (6.95, 3.54, 50.48 ppm; 5.53 A): 1 out of 5 assignments used, quality = 1.00: QE PHE 35 + HD3 PRO 34 OK 100 100 100 100 4.5-4.6 4687/1.8=97, 4574/2.3=93...(21) HZ PHE 35 - HD3 PRO 34 far 15 100 15 - 5.8-5.9 QE PHE 35 - HD3 PRO 36 far 0 45 0 - 5.9-6.0 HZ PHE 35 - HD3 PRO 36 far 0 45 0 - 7.7-7.7 HD22 ASN 42 - HD3 PRO 36 far 0 42 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 5199 from cnoeabs.peaks (6.95, 2.72, 50.48 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 35 + HD2 PRO 34 OK 100 100 100 100 3.1-3.2 4574/2.3=87...(20) HZ PHE 35 + HD2 PRO 34 OK 100 100 100 100 4.2-4.2 4596/4.1=63, ~4574=61...(12) Violated in 0 structures by 0.00 A. Peak 5202 from cnoeabs.peaks (2.77, 4.25, 57.41 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.99: HB3 ASN 42 + HA LYS 39 OK 93 97 100 96 3.5-4.2 4.4/4371=56, 4.1/5790=54...(5) HB2 ASN 42 + HA LYS 39 OK 92 96 100 97 2.0-2.7 4.4/4371=56, 4.1/5790=54...(6) Violated in 0 structures by 0.00 A. Peak 5203 from cnoeabs.peaks (0.61, 1.85, 32.41 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.89: QD1 LEU 51 + HB2 LYS 39 OK 89 89 100 100 3.6-5.3 2.1/5204=93, ~5205=70...(12) Violated in 0 structures by 0.00 A. Peak 5204 from cnoeabs.peaks (0.20, 1.85, 32.41 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 51 + HB2 LYS 39 OK 98 98 100 100 2.2-4.1 4520/5111=65...(13) Violated in 0 structures by 0.00 A. Peak 5205 from cnoeabs.peaks (0.19, 1.78, 32.41 ppm; 5.14 A increased from 4.84 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HB3 LYS 39 OK 100 100 100 100 3.7-5.1 5204/1.8=74...(12) Violated in 3 structures by 0.00 A. Peak 5206 from cnoeabs.peaks (0.84, 1.40, 25.35 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 43 + HG3 LYS 39 OK 99 99 100 100 2.2-2.5 5214/3.0=92, 2.1/4896=76...(15) QG2 ILE 68 - HG3 LYS 39 far 0 63 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 5207 from cnoeabs.peaks (3.57, 1.40, 25.35 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 36 + HG3 LYS 39 OK 100 100 100 100 4.6-5.3 2.3/4870=95, 5208/1.8=93...(21) HA VAL 41 - HG3 LYS 39 far 0 96 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 5208 from cnoeabs.peaks (3.57, 1.55, 25.35 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 36 + HG2 LYS 39 OK 100 100 100 100 3.1-4.8 2.3/4893=88, 5207/1.8=66...(25) HA VAL 41 - HG2 LYS 39 far 0 99 0 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 5209 from cnoeabs.peaks (3.55, 1.58, 28.78 ppm; 5.64 A): 2 out of 5 assignments used, quality = 0.97: HD3 PRO 36 + HD3 LYS 39 OK 83 83 100 100 2.2-3.3 1.8/4261=82, ~4893=62...(25) HD3 PRO 36 + HD2 LYS 39 OK 83 83 100 100 3.4-4.8 ~4261=79, ~4893=62...(25) HD3 PRO 34 - HD2 LYS 32 far 0 61 0 - 6.9-8.6 HD3 PRO 34 - HD3 LYS 39 far 0 99 0 - 9.5-11.7 HD3 PRO 34 - HD2 LYS 39 far 0 99 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 5210 from cnoeabs.peaks (3.56, 0.93, 18.83 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.76: HA VAL 41 + QG2 ILE 40 OK 76 78 100 98 3.6-3.8 3.0/3816=51, ~139=35...(16) HD3 PRO 36 - QG2 ILE 40 far 0 97 0 - 7.6-8.0 HD3 PRO 34 - QG2 ILE 40 far 0 90 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 5212 from cnoeabs.peaks (4.25, 0.93, 18.83 ppm; 5.35 A): 1 out of 4 assignments used, quality = 0.67: HB THR 37 + QG2 ILE 40 OK 67 78 85 100 5.0-5.9 3.0/4310=80, 4884/2.1=67...(14) HA LYS 39 - QG2 ILE 40 far 0 100 0 - 6.1-6.1 HA LEU 64 - QG2 ILE 40 far 0 92 0 - 6.5-7.2 HA ALA 20 - QG2 ILE 40 far 0 90 0 - 9.7-17.9 Violated in 3 structures by 0.08 A. Peak 5213 from cnoeabs.peaks (1.57, 0.94, 22.80 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.93: HG2 LYS 39 + QD2 LEU 43 OK 80 81 100 99 3.9-4.4 1.8/4896=59, ~5214=45...(16) HD2 LYS 39 + QD2 LEU 43 OK 64 93 70 98 3.5-4.9 5214/2.1=52, 3.0/4896=49...(14) HD3 LYS 39 - QD2 LEU 43 far 0 95 0 - 4.9-5.3 HG3 ARG 54 - QD2 LEU 43 far 0 99 0 - 7.5-10.2 HB3 ARG 54 - QD2 LEU 43 far 0 81 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 5214 from cnoeabs.peaks (1.59, 0.83, 26.57 ppm; 3.05 A): 1 out of 7 assignments used, quality = 0.86: HD2 LYS 39 + QD1 LEU 43 OK 86 98 95 92 2.2-4.2 3.5/5111=27, 3.5/5109=25...(19) HB3 LEU 51 - QD1 LEU 43 far 5 99 5 - 3.2-4.1 HD3 LYS 39 - QD1 LEU 43 far 0 97 0 - 3.5-4.8 HG3 ARG 54 - QD1 LEU 43 far 0 90 0 - 6.0-8.9 HD2 LYS 73 - QD1 LEU 43 far 0 87 0 - 8.4-12.4 HD3 LYS 73 - QD1 LEU 43 far 0 87 0 - 8.6-12.3 HG LEU 62 - QD1 LEU 43 far 0 68 0 - 9.7-10.4 Violated in 2 structures by 0.06 A. Peak 5215 from cnoeabs.peaks (0.97, 2.48, 32.30 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.97: QG1 VAL 45 + HB2 PRO 44 OK 97 97 100 100 4.7-4.7 5654/2.3=81, 630/156=78...(8) Violated in 0 structures by 0.00 A. Peak 5216 from cnoeabs.peaks (0.95, 2.09, 32.30 ppm; 5.01 A increased from 4.45 A): 1 out of 6 assignments used, quality = 0.46: QD1 LEU 64 + HB3 MET 31 OK 46 46 100 100 4.2-5.2 ~6121=77, 5310/3.0=76...(13) QD2 LEU 43 - HB3 PRO 44 far 0 99 0 - 5.4-5.9 QG2 ILE 40 - HB3 PRO 44 far 0 78 0 - 8.8-9.2 QD2 LEU 62 - HB3 MET 31 far 0 30 0 - 8.9-9.4 QG2 ILE 40 - HB3 MET 31 far 0 30 0 - 9.1-9.8 QG2 VAL 41 - HB3 PRO 44 far 0 89 0 - 9.9-10.4 Violated in 3 structures by 0.01 A. Peak 5218 from cnoeabs.peaks (3.65, 7.07, 131.51 ppm; 5.86 A): 3 out of 4 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 93 93 100 100 2.4-3.0 4325=95, 5120/2.2=94...(14) HA ARG 69 + QD PHE 48 OK 81 87 100 93 5.2-6.1 ~5979=54, 4.6/5823=37...(8) HA VAL 65 + QD PHE 48 OK 23 91 25 100 5.9-6.5 ~4718=72, 4705/4623=63...(11) HD3 PRO 44 - QD PHE 48 far 0 74 0 - 6.4-6.5 Violated in 0 structures by 0.00 A. Peak 5219 from cnoeabs.peaks (1.76, 3.89, 57.93 ppm; 4.10 A): 1 out of 5 assignments used, quality = 1.00: HB2 ARG 54 + HA LEU 51 OK 100 100 100 100 2.1-2.6 1.8/5220=81, 4568=80...(13) HG2 PRO 34 - HA LEU 51 far 0 100 0 - 7.4-8.6 HB3 LYS 39 - HA LEU 51 far 0 78 0 - 8.4-9.8 HB2 PRO 34 - HA LEU 51 far 0 85 0 - 8.5-10.1 HB2 LEU 57 - HA LEU 51 far 0 99 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 5220 from cnoeabs.peaks (1.54, 3.89, 57.93 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.95: HB3 ARG 54 + HA LEU 51 OK 95 96 100 100 3.5-4.2 1.8/5219=70, 4569=63...(12) HG2 LYS 39 - HA LEU 51 far 0 96 0 - 6.9-7.3 Violated in 1 structures by 0.01 A. Peak 5221 from cnoeabs.peaks (0.94, 1.60, 41.26 ppm; 5.73 A increased from 5.09 A): 2 out of 4 assignments used, quality = 0.97: QG2 ILE 40 + HB3 LEU 51 OK 95 96 100 100 5.1-5.7 4301/3.1=84, 5175/3.1=55...(10) QD2 LEU 43 + HB3 LEU 51 OK 35 100 35 100 5.7-6.3 4916/3.1=85, ~4917=74...(6) QD2 LEU 62 - HB3 LEU 51 far 0 96 0 - 6.5-7.7 QG2 VAL 41 - HB3 LEU 51 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 5222 from cnoeabs.peaks (4.01, 0.89, 26.17 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.92: HA PHE 48 + HG LEU 51 OK 92 92 100 100 4.6-5.2 4521/2.1=91, 4524/3.0=89...(9) HA ARG 54 - HG LEU 51 far 0 99 0 - 6.9-7.2 Violated in 0 structures by 0.00 A. Peak 5223 from cnoeabs.peaks (6.82, 0.89, 26.17 ppm; 5.17 A): 1 out of 2 assignments used, quality = 0.99: QE TYR 55 + HG LEU 51 OK 99 99 100 100 3.8-4.3 4647/2.1=99, 5726=96...(13) HE22 GLN 61 - HG LEU 51 far 0 97 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 5225 from cnoeabs.peaks (2.81, 3.81, 57.23 ppm; 5.85 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 55 + HA LEU 52 OK 100 100 100 100 3.4-4.6 2.5/6131=92, 684/4581=92...(7) Violated in 0 structures by 0.00 A. Peak 5227 from cnoeabs.peaks (3.78, 2.94, 40.22 ppm; 6.50 A increased from 6.27 A): 1 out of 2 assignments used, quality = 0.76: HA LEU 52 + HB3 TYR 55 OK 76 76 100 100 4.9-6.3 5229/1.8=97, 4631/2.5=89...(5) HD2 PRO 14 - HB3 TYR 55 far 0 100 0 - 8.3-31.5 Violated in 0 structures by 0.00 A. Peak 5228 from cnoeabs.peaks (3.43, 2.94, 40.22 ppm; 6.50 A): 0 out of 0 assignments used, quality = 0.00: Peak 5229 from cnoeabs.peaks (3.79, 2.80, 40.22 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.85: HA LEU 52 + HB2 TYR 55 OK 85 85 100 100 3.4-4.6 4631/2.5=83, 4581/684=76...(7) HD2 PRO 14 - HB2 TYR 55 far 0 100 0 - 9.6-32.3 Violated in 0 structures by 0.00 A. Peak 5230 from cnoeabs.peaks (2.60, 1.31, 21.61 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.99: HG2 GLN 61 + QG2 THR 58 OK 99 100 100 99 4.0-4.6 3.0/4627=59, 4664=57...(9) HG2 MET 31 - QG2 THR 58 far 0 65 0 - 8.3-9.7 Violated in 2 structures by 0.00 A. Peak 5232 from cnoeabs.peaks (1.99, 3.96, 59.26 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: QE MET 31 + HA GLN 61 OK 100 100 100 100 1.9-2.0 5079=100, 5083/3.0=47...(18) HB2 LEU 64 + HA GLN 61 OK 89 92 100 96 2.9-3.4 4695=52, 1.8/4696=44...(12) HG2 ARG 66 - HA GLN 61 far 0 73 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 5233 from cnoeabs.peaks (1.97, 2.60, 34.98 ppm; 5.16 A): 1 out of 3 assignments used, quality = 0.80: QE MET 31 + HG2 GLN 61 OK 80 81 100 100 2.2-3.0 5079/4.0=63, 5083/713=61...(10) HB2 LEU 64 - HG2 GLN 61 far 0 100 0 - 5.8-6.2 HG LEU 57 - HG2 GLN 61 far 0 93 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 5234 from cnoeabs.peaks (1.97, 2.16, 34.98 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 64 + HG3 GLN 61 OK 94 100 100 94 4.9-5.3 4695/2529=79...(3) QE MET 31 + HG3 GLN 61 OK 81 81 100 100 2.0-2.6 5233/1.8=89...(9) HG LEU 57 - HG3 GLN 61 far 0 93 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 5236 from cnoeabs.peaks (0.46, 1.57, 26.98 ppm; 6.26 A): 1 out of 3 assignments used, quality = 0.92: QD1 LEU 52 + HG LEU 62 OK 92 92 100 100 3.6-4.4 4553/2.1=92, ~5237=92...(17) QD1 LEU 52 - HG3 ARG 54 far 0 78 0 - 7.4-9.8 QD1 LEU 52 - HG LEU 64 far 0 55 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 5237 from cnoeabs.peaks (0.51, 0.93, 24.73 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 52 + QD2 LEU 62 OK 100 100 100 100 2.0-3.3 2.1/4680=70, 3.1/5004=50...(17) Violated in 0 structures by 0.00 A. Peak 5238 from cnoeabs.peaks (2.37, 1.57, 26.98 ppm; 5.54 A): 1 out of 4 assignments used, quality = 0.82: HB VAL 65 + HG LEU 62 OK 82 83 100 99 3.9-4.7 ~5006=72, 4998/2586=67...(8) HG2 GLU 50 - HG3 ARG 54 poor 18 90 20 - 3.6-8.3 HB VAL 65 - HG LEU 64 far 0 47 0 - 6.0-6.2 HG2 GLU 59 - HG LEU 62 far 0 57 0 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 5239 from cnoeabs.peaks (2.37, 0.87, 24.45 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.97: HB VAL 65 + QD1 LEU 62 OK 90 90 100 100 5.3-5.7 2.1/5006=96...(9) HG2 GLU 59 + QD1 LEU 62 OK 68 68 100 99 3.8-5.3 4.2/5365=88, 4642=68...(5) Violated in 0 structures by 0.00 A. Peak 5240 from cnoeabs.peaks (2.61, 4.26, 57.87 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.92: HG2 MET 31 + HA LEU 64 OK 92 92 100 100 4.9-5.8 5310/2648=98...(7) HG2 GLN 61 - HA LEU 64 far 0 98 0 - 8.4-8.7 HB3 ASP 24 - HA LEU 64 far 0 78 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 5242 from cnoeabs.peaks (0.78, 1.54, 27.08 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 68 + HG LEU 64 OK 100 100 100 100 1.9-2.3 4759=98, 5252/3.0=48...(11) QD1 ILE 68 - HG LEU 62 far 0 65 0 - 7.9-8.7 QD1 ILE 68 - HG3 ARG 23 far 0 87 0 - 8.0-11.2 QG1 VAL 41 - HG LEU 64 far 0 87 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 5244 from cnoeabs.peaks (4.00, 1.21, 23.08 ppm; 5.66 A increased from 4.53 A): 1 out of 3 assignments used, quality = 0.85: HA ARG 66 + QG2 VAL 65 OK 85 85 100 100 5.3-5.4 4734/2.1=83, ~273=73...(13) HA LYS 32 - QG2 VAL 65 far 0 85 0 - 8.0-8.4 HA ARG 54 - QG2 VAL 65 far 0 96 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 5246 from cnoeabs.peaks (1.02, 1.90, 38.07 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.96: QD1 ILE 40 + HB ILE 68 OK 96 96 100 100 2.3-2.6 5249/2.1=88, 5247/3.2=54...(18) QD1 LEU 57 - HB ILE 68 far 0 76 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 5247 from cnoeabs.peaks (1.04, 0.78, 13.95 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 40 + QD1 ILE 68 OK 98 99 100 99 1.8-2.6 5249/2.9=54...(20) HG3 PRO 34 - QD1 ILE 68 far 0 99 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 5249 from cnoeabs.peaks (1.03, 0.81, 17.06 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QG2 ILE 68 OK 100 100 100 100 1.9-2.3 1942/4298=59, 4299=55...(21) HG3 PRO 34 - QG2 ILE 68 far 0 92 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 5251 from cnoeabs.peaks (1.69, 0.78, 13.95 ppm; 4.78 A increased from 4.50 A): 1 out of 9 assignments used, quality = 0.98: HB3 LEU 64 + QD1 ILE 68 OK 98 98 100 100 4.4-4.5 1.8/5252=92, 3.0/4759=86...(8) HB3 GLN 61 - QD1 ILE 68 far 0 60 0 - 6.2-6.9 HG LEU 29 - QD1 ILE 68 far 0 93 0 - 6.9-7.8 HG2 ARG 70 - QD1 ILE 68 far 0 83 0 - 7.0-9.2 HG3 ARG 66 - QD1 ILE 68 far 0 99 0 - 7.3-8.4 HD3 LYS 75 - QD1 ILE 68 far 0 73 0 - 8.4-13.6 HB2 LEU 29 - QD1 ILE 68 far 0 63 0 - 8.6-9.4 HG2 ARG 23 - QD1 ILE 68 far 0 87 0 - 8.7-11.0 HD2 LYS 75 - QD1 ILE 68 far 0 73 0 - 9.4-14.3 Violated in 0 structures by 0.00 A. Peak 5252 from cnoeabs.peaks (1.98, 0.78, 13.95 ppm; 4.16 A increased from 3.91 A): 1 out of 7 assignments used, quality = 0.93: HB2 LEU 64 + QD1 ILE 68 OK 93 96 100 97 3.7-4.0 3.0/4759=71, 1.8/5251=60...(6) QE MET 31 - QD1 ILE 68 far 0 99 0 - 5.4-6.2 HG2 ARG 66 - QD1 ILE 68 far 0 65 0 - 6.7-7.5 HB3 ARG 70 - QD1 ILE 68 far 0 60 0 - 7.5-9.5 HB2 ARG 70 - QD1 ILE 68 far 0 60 0 - 7.8-9.5 HG LEU 57 - QD1 ILE 68 far 0 60 0 - 8.7-9.4 HG LEU 43 - QD1 ILE 68 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5253 from cnoeabs.peaks (3.57, 1.38, 27.02 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.98: HA VAL 41 + HG3 ARG 69 OK 98 99 100 99 2.4-4.4 4342/1.8=72, 4341=54...(16) Violated in 0 structures by 0.00 A. Peak 5254 from cnoeabs.peaks (3.58, 1.24, 27.02 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 41 + HG2 ARG 69 OK 100 100 100 100 3.0-4.7 5253/1.8=86, 4342=76...(16) HD3 PRO 36 - HG13 ILE 33 far 0 60 0 - 8.3-8.3 Violated in 0 structures by 0.00 A. Peak 5255 from cnoeabs.peaks (0.90, 1.48, 24.53 ppm; 6.34 A increased from 5.07 A): 2 out of 9 assignments used, quality = 0.59: QG1 VAL 76 + HG2 LYS 73 OK 49 73 85 78 2.9-7.9 5430/3.8=61, ~5436=27...(7) QG2 VAL 76 + HG2 LYS 73 OK 21 73 60 48 2.8-8.1 ~5436=27, ~5854=11...(6) QG1 VAL 90 - HG3 LYS 85 far 7 70 10 - 6.1-15.9 QD1 LEU 86 - HG3 LYS 85 lone 5 66 45 17 5.0-8.7 ~1856=14 QG2 VAL 76 - HG3 LYS 85 far 2 44 5 - 6.4-20.4 QG2 VAL 90 - HG3 LYS 85 far 0 70 0 - 8.2-17.1 QG1 VAL 76 - HG3 LYS 85 far 0 44 0 - 8.7-21.6 QD1 LEU 29 - HG3 LYS 13 far 0 62 0 - 8.7-22.5 QD1 LEU 86 - HG2 LYS 73 far 0 98 0 - 9.1-26.7 Violated in 2 structures by 0.04 A. Peak 5256 from cnoeabs.peaks (0.80, 1.48, 24.53 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 41 + HG2 LYS 73 OK 100 100 100 100 2.3-3.7 4904=99, 5258/1.8=74...(16) QG2 ILE 68 - HG2 LYS 73 far 0 98 0 - 6.7-8.5 QD1 LEU 43 - HG3 LYS 13 far 0 37 0 - 8.2-30.1 QD1 ILE 89 - HG3 LYS 85 far 0 64 0 - 8.5-15.6 QD1 LEU 43 - HG2 LYS 73 far 0 57 0 - 8.7-10.3 QD1 ILE 68 - HG2 LYS 73 far 0 85 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 5257 from cnoeabs.peaks (0.89, 1.39, 24.53 ppm; 4.39 A increased from 4.13 A): 1 out of 18 assignments used, quality = 0.31: QG1 VAL 76 + HG2 LYS 75 OK 31 31 100 98 1.9-4.2 5328/2.9=51, 5846/2.7=50...(11) QG1 VAL 76 - HG3 LYS 73 poor 19 63 30 - 3.0-6.7 QG1 VAL 76 - HG3 LYS 75 poor 13 31 40 - 3.1-5.3 QG2 VAL 76 - HG3 LYS 73 far 9 63 15 - 3.0-7.2 QG2 VAL 76 - HG2 LYS 75 far 2 31 5 - 4.3-6.5 QD1 LEU 86 - HG2 LYS 85 far 0 96 0 - 5.3-8.4 QD1 LEU 86 - HG2 LYS 83 far 0 78 0 - 5.3-12.4 QG2 VAL 76 - HG3 LYS 75 far 0 31 0 - 5.6-7.0 QG1 VAL 90 - HG2 LYS 85 far 0 95 0 - 5.9-16.3 QG2 VAL 76 - HG2 LYS 85 far 0 58 0 - 7.2-20.5 QG2 VAL 76 - HG2 LYS 83 far 0 42 0 - 7.9-14.7 QG2 VAL 90 - HG2 LYS 85 far 0 96 0 - 8.0-17.0 QG1 VAL 90 - HG2 LYS 83 far 0 76 0 - 8.9-21.4 QD1 LEU 86 - HG3 LYS 73 far 0 100 0 - 9.0-26.8 QG1 VAL 76 - HG2 LYS 83 far 0 42 0 - 9.1-16.6 QG1 VAL 76 - HG2 LYS 85 far 0 58 0 - 9.3-22.1 QG2 VAL 90 - HG2 LYS 83 far 0 77 0 - 9.6-22.3 HG12 ILE 68 - HG3 LYS 75 far 0 31 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 5258 from cnoeabs.peaks (0.80, 1.39, 24.53 ppm; 4.86 A): 1 out of 11 assignments used, quality = 1.00: QG1 VAL 41 + HG3 LYS 73 OK 100 100 100 100 2.1-4.7 4904/1.8=92...(17) QG1 VAL 41 - HG3 LYS 75 far 3 60 5 - 4.5-7.8 QG1 VAL 41 - HG2 LYS 75 far 3 60 5 - 4.9-8.3 QG2 ILE 68 - HG3 LYS 73 far 0 98 0 - 6.3-9.3 QG2 ILE 68 - HG3 LYS 75 far 0 57 0 - 6.9-9.9 QD1 ILE 89 - HG2 LYS 85 far 0 92 0 - 7.9-14.8 QG2 ILE 68 - HG2 LYS 75 far 0 57 0 - 8.0-10.7 QD1 LEU 43 - HG3 LYS 73 far 0 57 0 - 8.5-11.2 QD1 ILE 68 - HG3 LYS 73 far 0 85 0 - 9.3-11.9 QG1 VAL 41 - HG2 LYS 83 far 0 78 0 - 9.5-20.1 QD1 ILE 68 - HG3 LYS 75 far 0 45 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5260 from cnoeabs.peaks (0.81, 1.78, 32.45 ppm; 4.49 A increased from 4.23 A): 2 out of 12 assignments used, quality = 0.99: QG1 VAL 41 + HB3 LYS 73 OK 90 90 100 100 4.2-4.4 4346=81, 4904/2.9=62...(15) QD1 LEU 43 + HB3 LYS 39 OK 85 85 100 99 4.3-4.4 5214/3.5=69, 5357/3.0=58...(12) QD2 LEU 86 - HB2 LYS 85 far 7 46 15 - 4.3-7.6 QG1 VAL 41 - HB3 LYS 75 far 4 79 5 - 4.5-6.5 QD2 LEU 86 - HB2 LYS 83 far 0 74 0 - 5.4-10.6 QG2 ILE 68 - HB3 LYS 75 far 0 92 0 - 6.5-8.6 QG2 ILE 68 - HB3 LYS 39 far 0 99 0 - 7.0-7.8 QG2 ILE 68 - HB3 LYS 73 far 0 100 0 - 7.8-8.6 QG1 VAL 41 - HB3 LYS 39 far 0 89 0 - 8.1-8.3 QD1 LEU 43 - HB2 LYS 13 far 0 78 0 - 8.5-28.4 QG2 ILE 89 - HB2 LYS 85 far 0 31 0 - 8.6-15.5 QD1 ILE 89 - HB2 LYS 85 far 0 66 0 - 9.0-14.6 Violated in 0 structures by 0.00 A. Peak 5261 from cnoeabs.peaks (0.91, 1.82, 32.45 ppm; 4.87 A): 3 out of 15 assignments used, quality = 0.96: QG2 VAL 41 + HB2 LYS 73 OK 73 73 100 100 3.9-5.0 2.1/5262=69, ~4346=60...(19) QG1 VAL 76 + HB2 LYS 75 OK 71 72 100 99 2.4-4.9 815/340=68, 5328/3.5=68...(10) QG2 VAL 76 + HB2 LYS 75 OK 48 72 70 96 3.6-6.6 3.9/340=61, 3.2/5853=57...(6) QG1 VAL 76 - HB2 LYS 73 poor 19 97 20 - 4.3-7.2 QG2 VAL 76 - HB2 LYS 73 far 10 97 10 - 4.2-7.9 QG2 VAL 41 - HB2 LYS 75 far 7 49 15 - 5.1-7.3 QD1 LEU 86 - HB2 LYS 85 far 0 52 0 - 5.5-7.8 QG1 VAL 90 - HB2 LYS 85 far 0 72 0 - 5.6-16.8 QG2 ILE 40 - HB2 LYS 73 far 0 85 0 - 5.8-6.9 QG2 VAL 76 - HB2 LYS 85 far 0 73 0 - 6.9-20.5 QG2 VAL 90 - HB2 LYS 85 far 0 70 0 - 7.6-15.5 QG2 ILE 40 - HB2 LYS 75 far 0 59 0 - 9.0-11.3 QG1 VAL 76 - HB2 LYS 85 far 0 73 0 - 9.3-21.6 HG12 ILE 68 - HB2 LYS 75 far 0 72 0 - 9.4-12.5 HG12 ILE 68 - HB2 LYS 73 far 0 97 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 5262 from cnoeabs.peaks (0.82, 1.82, 32.45 ppm; 4.79 A): 1 out of 8 assignments used, quality = 0.76: QG1 VAL 41 + HB2 LYS 73 OK 76 76 100 100 3.0-3.7 4346/1.8=63, 5264/787=62...(18) QD2 LEU 86 - HB2 LYS 85 far 10 68 15 - 4.3-7.6 QG1 VAL 41 - HB2 LYS 75 poor 10 51 55 34 4.4-6.8 4339/5844=25, 4338/6036=11 QG2 ILE 68 - HB2 LYS 73 far 0 97 0 - 6.4-7.2 QG2 ILE 68 - HB2 LYS 75 far 0 72 0 - 6.7-9.0 QG2 ILE 89 - HB2 LYS 85 far 0 52 0 - 8.6-15.5 QD1 ILE 89 - HB2 LYS 85 far 0 75 0 - 9.0-14.6 QD1 LEU 43 - HB2 LYS 73 far 0 97 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 5266 from cnoeabs.peaks (6.79, 7.51, 41.34 ppm; 2.40 A): 0 out of 0 assignments used, quality = 0.00: Peak 5270 from cnoeabs.peaks (1.15, 1.82, 38.45 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.98: HG12 ILE 89 + HB ILE 89 OK 98 98 100 100 2.4-3.0 2.9=100 QG2 THR 88 + HB ILE 89 OK 27 99 30 90 4.1-7.1 3.9/877=76, ~5904=34...(4) Violated in 0 structures by 0.00 A. Peak 5273 from cnoeabs.peaks (1.11, 0.81, 12.46 ppm; 3.67 A): 0 out of 0 assignments used, quality = 0.00: Peak 5274 from cnoeabs.peaks (1.41, 0.81, 12.46 ppm; 3.85 A): 0 out of 1 assignment used, quality = 0.00: QB ALA 78 - QD1 ILE 89 far 0 81 0 - 10.0-23.8 Violated in 20 structures by 13.08 A. Peak 5284 from cnoeabs.peaks (2.25, 3.95, 45.26 ppm; 5.57 A increased from 5.24 A): 2 out of 14 assignments used, quality = 0.82: HG2 GLU 25 + HA2 GLY 21 OK 58 100 80 73 2.5-6.8 1346/3.5=39, 3.0/4151=25...(5) HG2 GLU 25 + HA3 GLY 21 OK 57 100 85 67 2.9-6.9 1346/3.5=39, ~4151=19...(5) HG3 GLU 19 - HA3 GLY 21 poor 18 71 25 - 4.6-10.2 HG2 GLU 19 - HA2 GLY 18 poor 13 39 70 47 3.4-7.3 4.9/25=28, 3.9/4800=14...(5) HG3 GLU 19 - HA2 GLY 18 poor 12 39 65 48 4.1-7.0 495/3.6=30, 3.9/4800=14...(5) HG2 GLU 19 - HA3 GLY 18 poor 11 40 60 47 4.0-7.6 4.9/25=28, 3.9/4800=14...(5) HG3 GLU 19 - HA2 GLY 21 far 11 71 15 - 4.4-10.7 HG2 GLU 19 - HA3 GLY 21 far 11 71 15 - 5.0-9.8 HG3 GLU 19 - HA3 GLY 18 poor 11 40 55 48 4.1-7.2 495/3.6=30, 3.9/4800=14...(5) HG2 GLU 19 - HA2 GLY 21 far 7 71 10 - 4.3-9.9 HG2 GLU 25 - HA3 GLY 18 far 0 67 0 - 6.0-13.6 HG2 GLU 25 - HA2 GLY 18 far 0 64 0 - 6.0-13.4 HB2 PRO 14 - HA3 GLY 18 far 0 49 0 - 8.0-14.8 HB2 PRO 14 - HA2 GLY 18 far 0 47 0 - 8.2-14.8 Violated in 0 structures by 0.00 A. Peak 5285 from cnoeabs.peaks (2.57, 3.95, 45.26 ppm; 4.91 A): 0 out of 8 assignments used, quality = 0.00: HB3 ASP 24 - HA2 GLY 21 far 0 93 0 - 7.7-10.3 HB3 ASP 24 - HA3 GLY 21 far 0 93 0 - 7.8-10.7 HB2 ASP 24 - HA3 GLY 21 far 0 85 0 - 8.1-11.1 HB2 ASP 24 - HA2 GLY 21 far 0 85 0 - 8.5-10.9 HB2 ASP 24 - HA3 GLY 18 far 0 50 0 - 8.9-18.5 HB3 ASP 24 - HA3 GLY 18 far 0 58 0 - 9.2-17.6 HB2 ASP 24 - HA2 GLY 18 far 0 48 0 - 9.7-18.9 HB3 ASP 24 - HA2 GLY 18 far 0 56 0 - 9.8-18.0 Violated in 20 structures by 2.18 A. Peak 5286 from cnoeabs.peaks (3.16, 3.95, 45.26 ppm; 5.66 A): 0 out of 22 assignments used, quality = 0.00: HD3 ARG 26 - HA2 GLY 21 poor 19 97 20 - 5.3-11.5 HD2 ARG 17 - HA2 GLY 18 poor 19 64 30 - 4.5-8.3 HD2 ARG 17 - HA3 GLY 18 poor 17 66 25 - 3.4-8.2 HD3 ARG 17 - HA3 GLY 18 far 10 66 15 - 5.1-7.9 HD3 ARG 17 - HA2 GLY 18 far 10 64 15 - 4.5-8.0 HD3 ARG 17 - HA3 GLY 21 far 5 100 5 - 5.0-15.8 HD2 ARG 17 - HA3 GLY 21 far 5 100 5 - 5.9-15.9 HD2 ARG 26 - HA2 GLY 21 far 5 97 5 - 4.8-10.9 HD3 ARG 26 - HA3 GLY 21 far 5 97 5 - 5.8-11.9 HD3 ARG 26 - HA3 GLY 18 far 3 61 5 - 4.5-15.6 HD3 ARG 26 - HA2 GLY 18 far 3 59 5 - 5.8-16.3 HD2 ARG 26 - HA3 GLY 18 far 0 62 0 - 6.1-16.2 HD2 ARG 26 - HA3 GLY 21 far 0 97 0 - 6.2-10.8 HD3 ARG 17 - HA2 GLY 21 far 0 100 0 - 6.4-16.1 HD2 ARG 23 - HA2 GLY 21 far 0 100 0 - 7.1-11.2 HD2 ARG 26 - HA2 GLY 18 far 0 60 0 - 7.3-16.7 HD2 ARG 23 - HA3 GLY 21 far 0 100 0 - 7.3-11.3 HD3 ARG 23 - HA2 GLY 21 far 0 100 0 - 7.3-12.0 HD2 ARG 17 - HA2 GLY 21 far 0 100 0 - 7.4-16.3 HD3 ARG 23 - HA3 GLY 21 far 0 100 0 - 7.9-11.4 HD3 ARG 27 - HA3 GLY 18 far 0 66 0 - 10.0-21.9 HD2 ARG 27 - HA2 GLY 21 far 0 100 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 5287 from cnoeabs.peaks (2.81, 4.26, 57.87 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.73: HB3 ASP 67 + HA LEU 64 OK 73 73 100 99 3.1-3.7 1.8/5288=85, 4739=72...(6) Violated in 0 structures by 0.00 A. Peak 5288 from cnoeabs.peaks (2.88, 4.26, 57.87 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.85: HB2 ASP 67 + HA LEU 64 OK 85 87 100 98 2.6-3.1 4738=70, 1.8/5287=64...(6) Violated in 0 structures by 0.00 A. Peak 5289 from cnoeabs.peaks (7.15, 4.03, 60.97 ppm; 4.99 A increased from 4.70 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + HA PHE 48 OK 100 100 100 100 4.6-4.8 2.2/2142=96, 5.6=69...(7) Violated in 0 structures by 0.00 A. Peak 5290 from cnoeabs.peaks (7.72, 4.03, 60.97 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: H GLU 50 + HA PHE 48 OK 100 100 100 100 4.0-4.5 922/3.6=88, 923/4525=83...(6) H ASN 42 - HA PHE 48 far 0 100 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 5291 from cnoeabs.peaks (6.80, 1.87, 30.55 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.93: QE TYR 55 + HB3 PRO 34 OK 93 93 100 100 3.2-4.5 4667=95, 4664/2.3=91...(14) Violated in 0 structures by 0.00 A. Peak 5292 from cnoeabs.peaks (4.88, 2.04, 27.30 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.94: HA TYR 55 + HG2 PRO 56 OK 94 95 100 99 4.1-4.4 5293/1.8=76, ~4595=50...(8) Violated in 0 structures by 0.00 A. Peak 5293 from cnoeabs.peaks (4.89, 2.09, 27.30 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.99: HA TYR 55 + HG3 PRO 56 OK 99 100 100 99 4.4-4.4 5292/1.8=75, 4576/2.3=50...(8) Violated in 0 structures by 0.00 A. Peak 5294 from cnoeabs.peaks (4.47, 1.88, 29.95 ppm; 4.13 A): 4 out of 21 assignments used, quality = 0.97: HA ASP 67 + HB2 ARG 66 OK 83 100 85 98 4.3-4.5 3.0/278=64, ~279=36...(14) HA ASP 24 + HB2 ARG 27 OK 50 52 100 96 2.2-4.0 4157=63, 5383/4.1=39...(11) HA ASP 24 + HB3 ARG 27 OK 41 54 80 96 3.2-5.1 4157/1.8=65, 5383/4.1=39...(10) HA ASP 24 + HB3 ARG 23 OK 31 56 80 69 3.9-5.6 ~44=22, ~45=22...(8) HA ASP 24 - HB2 ARG 23 poor 19 53 35 - 4.0-5.6 HA ASP 24 - HB2 ARG 26 far 9 95 10 - 4.3-7.0 HA ASP 67 - HB3 ARG 71 far 3 57 5 - 4.3-7.4 HA SER 22 - HB2 ARG 23 far 0 32 0 - 4.5-5.9 HA ASP 67 - HB2 ARG 71 far 0 55 0 - 4.6-6.3 HA SER 22 - HB3 ARG 23 far 0 34 0 - 4.7-6.0 HA SER 22 - HB2 ARG 26 far 0 64 0 - 5.7-8.7 HA ASP 24 - HB3 ARG 26 far 0 94 0 - 6.0-7.1 HA ASP 24 - HB3 ARG 71 far 0 51 0 - 6.2-9.1 HA ASP 24 - HB2 ARG 71 far 0 49 0 - 6.3-8.6 HA SER 22 - HB3 ARG 26 far 0 64 0 - 6.7-9.7 HA SER 22 - HB2 ARG 27 far 0 31 0 - 8.1-10.1 HA PRO 14 - HB3 ARG 26 far 0 81 0 - 8.7-28.8 HA ASP 67 - HB3 ARG 27 far 0 60 0 - 8.9-9.8 HA ASP 67 - HB2 ARG 27 far 0 58 0 - 9.4-10.8 HA SER 22 - HB3 ARG 27 far 0 33 0 - 9.5-11.5 HA SER 22 - HB3 ARG 71 far 0 30 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 5295 from cnoeabs.peaks (4.03, 0.83, 26.57 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: HA PHE 48 + QD1 LEU 43 OK 100 100 100 100 2.6-3.2 4468=100, 3.7/4370=40...(24) HD2 PRO 44 - QD1 LEU 43 far 0 96 0 - 5.0-5.3 HA ARG 54 - QD1 LEU 43 far 0 87 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 5302 from cnoeabs.peaks (0.77, 1.34, 17.80 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.98: QD1 ILE 68 + QB ALA 28 OK 98 99 100 99 3.0-3.7 4758=95, 5909/2.9=33...(9) QG1 VAL 41 - QB ALA 28 far 0 76 0 - 9.0-9.4 Violated in 1 structures by 0.00 A. Peak 5303 from cnoeabs.peaks (7.90, 1.34, 17.80 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.99: H ILE 33 + QB ALA 28 OK 99 100 100 99 3.5-3.8 100=86, 572/4180=58...(7) H ASP 67 - QB ALA 28 far 0 57 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 5304 from cnoeabs.peaks (2.30, 0.88, 24.48 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.87: HG3 GLU 59 + QD1 LEU 62 OK 71 71 100 100 3.9-6.0 4.2/5365=96, 1.8/4642=96...(5) HG3 GLU 25 + QD1 LEU 29 OK 55 100 55 99 3.8-7.1 ~4165=87, 4804/2.1=64...(6) HB2 PRO 14 - QD1 LEU 29 far 4 73 5 - 3.0-22.7 HG3 GLN 79 - QD1 LEU 86 far 3 61 5 - 4.9-21.5 HG2 GLN 79 - QD1 LEU 86 far 3 61 5 - 6.1-22.2 HB2 PRO 14 - QD1 LEU 86 far 0 68 0 - 8.3-58.2 Violated in 0 structures by 0.00 A. Peak 5305 from cnoeabs.peaks (2.52, 1.45, 18.15 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: HG3 MET 31 + QB ALA 30 OK 100 100 100 100 2.8-3.6 1.8/6116=79, 559/3.6=67...(9) HB2 GLN 61 - QB ALA 30 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 5306 from cnoeabs.peaks (7.24, 1.55, 30.94 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.86: HE ARG 54 + HB3 ARG 54 OK 68 68 100 100 2.0-4.6 4.7=100 H ALA 53 + HB3 ARG 54 OK 55 85 65 100 5.7-6.1 926/2315=80, 4963/1.8=79...(7) Violated in 0 structures by 0.00 A. Peak 5307 from cnoeabs.peaks (7.23, 1.76, 30.94 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.97: H ALA 53 + HB2 ARG 54 OK 97 97 100 100 4.2-4.6 926/676=95, 4963=91...(8) Violated in 0 structures by 0.00 A. Peak 5308 from cnoeabs.peaks (6.93, 1.95, 26.44 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.98: QE PHE 35 + HG LEU 57 OK 87 87 100 100 3.5-3.7 4579/2.1=87, 4688=84...(17) HZ PHE 35 + HG LEU 57 OK 85 85 100 100 4.5-5.1 2.2/4688=88, 4591/2.1=84...(11) HZ PHE 48 - HG LEU 57 far 0 81 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 5309 from cnoeabs.peaks (0.50, 3.92, 57.93 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 52 + HA LEU 62 OK 93 93 100 100 2.5-3.7 4547=93, 4726/4999=85...(13) Violated in 0 structures by 0.00 A. Peak 5310 from cnoeabs.peaks (2.61, 0.95, 23.35 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.92: HG2 MET 31 + QD1 LEU 64 OK 92 92 100 100 2.0-3.2 4198/2.1=80, ~4200=58...(17) HB3 ASP 24 - QD1 LEU 64 far 0 78 0 - 6.2-7.5 HG2 GLN 61 - QD1 LEU 64 far 0 98 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 5311 from cnoeabs.peaks (2.54, 0.84, 25.67 ppm; 4.83 A): 1 out of 3 assignments used, quality = 0.97: HG3 MET 31 + QD2 LEU 64 OK 97 97 100 100 2.3-3.5 4200=97, 1.8/4198=96...(20) HB2 GLN 61 - QD2 LEU 64 far 0 99 0 - 5.4-5.8 HB2 ASP 24 - QD2 LEU 64 far 0 83 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 5313 from cnoeabs.peaks (8.43, 3.63, 67.03 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.99: H ILE 68 + HA VAL 65 OK 99 99 100 100 3.5-3.7 4747=99, 757/4706=62...(12) Violated in 0 structures by 0.00 A. Peak 5314 from cnoeabs.peaks (0.43, 1.23, 22.65 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 52 + QG1 VAL 65 OK 97 97 100 100 3.3-3.9 2.1/4728=87...(13) Violated in 0 structures by 0.00 A. Peak 5315 from cnoeabs.peaks (0.43, 1.21, 23.08 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 52 + QG2 VAL 65 OK 92 97 95 100 4.3-5.1 2.1/4726=95, ~4728=67...(11) Violated in 1 structures by 0.02 A. Peak 5317 from cnoeabs.peaks (6.75, 1.61, 28.78 ppm; 5.36 A): 0 out of 0 assignments used, quality = 0.00: Peak 5319 from cnoeabs.peaks (8.33, 4.01, 63.89 ppm; 6.10 A): 1 out of 2 assignments used, quality = 0.97: H ASP 24 + HB2 SER 22 OK 97 97 100 100 2.6-4.9 4156=96, 5320/1.8=92...(6) H GLU 19 - HB2 SER 22 far 5 100 5 - 6.0-13.6 Violated in 0 structures by 0.00 A. Peak 5320 from cnoeabs.peaks (8.33, 3.89, 63.89 ppm; 5.60 A): 1 out of 2 assignments used, quality = 0.96: H ASP 24 + HB3 SER 22 OK 96 97 100 100 2.4-5.0 4156/1.8=90, 5501/3.0=78...(5) H GLU 19 - HB3 SER 22 far 0 100 0 - 7.6-12.6 Violated in 0 structures by 0.00 A. Peak 5321 from cnoeabs.peaks (1.55, 1.34, 17.80 ppm; 4.38 A increased from 4.12 A): 1 out of 5 assignments used, quality = 0.64: HB3 LEU 29 + QB ALA 28 OK 64 65 100 97 4.0-4.2 4.0/78=66, 3.0/4183=63...(5) HG LEU 64 - QB ALA 28 far 0 95 0 - 5.3-5.9 HD3 LYS 39 - QB ALA 28 far 0 60 0 - 8.2-9.4 HG2 LYS 39 - QB ALA 28 far 0 100 0 - 8.3-9.4 HG3 ARG 23 - QB ALA 28 far 0 96 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 5322 from cnoeabs.peaks (2.61, 0.71, 10.77 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.92: HG2 MET 31 + QD1 ILE 33 OK 92 92 100 100 3.2-3.5 4198/6122=53...(14) HG2 GLN 61 - QD1 ILE 33 far 0 98 0 - 4.3-4.8 HB3 ASP 24 - QD1 ILE 33 far 0 78 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 5323 from cnoeabs.peaks (6.95, 0.89, 26.17 ppm; 5.17 A): 2 out of 3 assignments used, quality = 1.00: HZ PHE 35 + HG LEU 51 OK 98 98 100 100 3.4-4.5 4597/2.1=77, 3.8/4564=75...(12) QE PHE 35 + HG LEU 51 OK 97 97 100 100 3.2-3.7 2.2/4564=94, 4584/2.1=94...(15) HZ PHE 48 - HG LEU 51 far 0 99 0 - 7.0-7.8 Violated in 0 structures by 0.00 A. Peak 5324 from cnoeabs.peaks (0.89, 1.33, 40.92 ppm; 4.58 A): 2 out of 4 assignments used, quality = 0.96: QD1 LEU 62 + HB2 LEU 52 OK 90 90 100 100 2.7-4.8 2.1/5004=83, ~5005=61...(15) HG LEU 51 + HB2 LEU 51 OK 61 61 100 100 3.0-3.0 3.0=100 HG LEU 51 - HB2 LEU 52 far 0 100 0 - 5.5-6.2 QD1 LEU 62 - HB2 LEU 51 far 0 49 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 5325 from cnoeabs.peaks (1.55, 0.71, 23.03 ppm; 5.06 A): 1 out of 6 assignments used, quality = 0.93: HG LEU 62 + QD2 LEU 57 OK 93 93 100 100 4.6-4.8 4982/3.1=74, 4983/3.1=63...(10) HB3 ARG 54 - QD2 LEU 57 far 0 100 0 - 7.1-7.7 HG LEU 64 - QD2 LEU 57 far 0 96 0 - 7.4-8.2 HG3 ARG 54 - QD2 LEU 57 far 0 73 0 - 8.4-9.6 HG2 LYS 39 - QD2 LEU 57 far 0 100 0 - 9.0-9.8 HB3 LEU 29 - QD2 LEU 57 far 0 63 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 5326 from cnoeabs.peaks (1.36, 2.23, 36.01 ppm; 5.95 A increased from 4.76 A): 3 out of 15 assignments used, quality = 0.93: QB ALA 20 + HG2 GLU 19 OK 66 87 80 95 4.1-6.8 ~29=59, 2.9/31=43...(8) QB ALA 20 + HG3 GLU 19 OK 62 87 75 95 2.7-6.6 ~29=59, 2.9/31=44...(8) QB ALA 28 + HG2 GLU 25 OK 43 43 100 100 4.5-6.1 5512/1.8=77, 4181/4.1=74...(7) QB ALA 16 - HG3 GLU 19 far 15 100 15 - 3.0-10.4 QB ALA 16 - HG2 GLU 19 far 15 100 15 - 3.0-10.9 HG2 LYS 85 - HG2 GLU 87 poor 15 73 20 - 2.9-10.5 QB ALA 20 - HG2 GLU 25 poor 13 48 60 47 2.2-8.1 4.8/5284=15, 4.8/5284=15...(5) HG2 LYS 85 - HG3 GLU 87 far 11 75 15 - 4.3-11.1 QB ALA 28 - HG3 GLU 19 far 8 81 10 - 6.1-14.8 QB ALA 28 - HG2 GLU 19 far 4 81 5 - 5.9-14.2 HG2 LYS 83 - HG3 GLU 87 far 0 88 0 - 6.8-17.3 QB ALA 16 - HG2 GLU 25 far 0 62 0 - 7.2-16.4 HG2 LYS 83 - HG2 GLU 87 far 0 86 0 - 8.0-17.9 HB2 LEU 52 - HG3 GLU 50 far 0 46 0 - 8.3-9.5 QB ALA 78 - HG2 GLU 87 far 0 51 0 - 9.8-21.0 Violated in 0 structures by 0.00 A. Peak 5328 from cnoeabs.peaks (0.91, 1.67, 28.78 ppm; 4.41 A): 1 out of 12 assignments used, quality = 0.27: QG1 VAL 76 + HD3 LYS 75 OK 27 96 30 94 2.8-6.1 5846/3.5=56, 5110/3.5=54...(8) QG1 VAL 76 - HD2 LYS 75 poor 19 96 20 - 2.1-6.2 QG2 VAL 41 - HD3 LYS 75 far 3 68 5 - 4.6-8.8 QG2 VAL 76 - HD2 LYS 75 far 0 96 0 - 4.8-7.8 QG2 VAL 76 - HD3 LYS 75 far 0 96 0 - 5.1-7.9 QG2 VAL 41 - HD2 LYS 75 far 0 68 0 - 5.5-9.2 QD1 LEU 29 - HD3 LYS 13 far 0 60 0 - 7.5-21.3 QD1 LEU 29 - HD2 LYS 13 far 0 60 0 - 7.5-21.1 HG12 ILE 68 - HD3 LYS 75 far 0 96 0 - 7.7-14.4 QG2 ILE 40 - HD3 LYS 75 far 0 81 0 - 8.6-12.7 HG12 ILE 68 - HD2 LYS 75 far 0 96 0 - 8.9-15.3 QG2 ILE 40 - HD2 LYS 75 far 0 81 0 - 9.4-13.2 Violated in 16 structures by 0.73 A. Peak 5329 from cnoeabs.peaks (0.83, 1.67, 28.78 ppm; 4.48 A): 0 out of 8 assignments used, quality = 0.00: QG2 ILE 68 - HD3 LYS 75 far 0 78 0 - 5.9-10.7 QD1 LEU 43 - HD2 LYS 13 far 0 100 0 - 6.5-28.1 QG2 ILE 68 - HD2 LYS 75 far 0 78 0 - 6.8-11.4 QD1 LEU 43 - HD3 LYS 13 far 0 100 0 - 7.2-29.2 QD2 LEU 29 - HD2 LYS 13 far 0 93 0 - 7.9-20.4 QD2 LEU 29 - HD3 LYS 13 far 0 93 0 - 8.2-20.6 QD2 LEU 64 - HD3 LYS 13 far 0 93 0 - 8.4-26.5 QD2 LEU 64 - HD2 LYS 13 far 0 93 0 - 8.9-26.0 Violated in 20 structures by 2.71 A. Peak 5332 from cnoeabs.peaks (8.36, 4.17, 69.96 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: H ALA 16 + HB THR 15 OK 100 100 100 100 2.1-4.3 4.4=100 H ARG 17 - HB THR 15 far 4 78 5 - 4.8-7.5 Violated in 0 structures by 0.00 A. Peak 5341 from cnoeabs.peaks (8.13, 4.13, 58.01 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.99: H ARG 26 + HA ARG 23 OK 99 100 100 99 3.6-4.2 5345=99, 527/5344=9...(4) H ARG 26 - HA ARG 27 far 0 74 0 - 5.3-5.3 Violated in 0 structures by 0.00 A. Peak 5344 from cnoeabs.peaks (4.13, 1.88, 29.99 ppm; 3.48 A): 2 out of 16 assignments used, quality = 0.72: HA ARG 27 + HB3 ARG 27 OK 48 48 100 100 2.4-2.9 3.0=100 HA ARG 27 + HB2 ARG 27 OK 46 46 100 100 2.8-3.0 3.0=100 HA ARG 23 - HB2 ARG 26 poor 13 100 30 42 3.0-5.7 5345/527=40, 1301/3.5=3 HA ARG 27 - HB2 ARG 26 far 0 93 0 - 4.2-4.6 HA ARG 27 - HB3 ARG 26 far 0 93 0 - 4.4-5.7 HA ARG 23 - HB3 ARG 26 far 0 100 0 - 4.6-6.2 HB THR 88 - HB3 GLU 87 far 0 42 0 - 5.1-7.6 HA ARG 23 - HB2 ARG 27 far 0 54 0 - 5.1-8.0 HA ALA 30 - HB3 ARG 26 far 0 99 0 - 5.9-7.5 HA ALA 30 - HB2 ARG 26 far 0 99 0 - 5.9-7.6 HA ARG 23 - HB3 ARG 27 far 0 56 0 - 6.7-9.3 HA ALA 30 - HB3 ARG 27 far 0 55 0 - 7.7-8.0 HA ALA 30 - HB2 ARG 27 far 0 52 0 - 8.0-8.3 HA ASN 49 - HB2 ARG 66 far 0 97 0 - 8.2-9.3 HA ARG 23 - HB3 ARG 71 far 0 53 0 - 9.6-13.1 HA ARG 27 - HB2 ARG 71 far 0 43 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 5346 from cnoeabs.peaks (4.48, 1.63, 27.31 ppm; 4.61 A): 3 out of 12 assignments used, quality = 0.97: HA ASP 24 + HG2 ARG 27 OK 83 97 95 90 2.0-5.3 4157/2.9=62, 5383/5.0=41...(9) HA ASP 24 + HG3 ARG 27 OK 70 97 80 90 2.0-5.0 4157/2.9=62, 5383/5.0=41...(9) HA ASP 67 + HG3 ARG 70 OK 40 73 55 99 3.5-5.8 5049/1.8=74, 4792/4.9=48...(10) HA ASP 24 - HG2 ARG 26 far 8 84 10 - 4.6-8.4 HA PRO 14 - HG2 ARG 17 far 0 57 0 - 5.6-13.0 HA SER 22 - HG2 ARG 26 far 0 48 0 - 6.0-8.0 HA PRO 14 - HG3 ARG 17 far 0 58 0 - 6.5-13.2 HA SER 22 - HG2 ARG 27 far 0 60 0 - 8.0-11.9 HA SER 22 - HG3 ARG 27 far 0 60 0 - 8.1-11.7 HA ASP 67 - HG2 ARG 27 far 0 100 0 - 8.2-11.2 HA ASP 67 - HG3 ARG 27 far 0 100 0 - 8.7-11.0 HA PRO 14 - HG2 ARG 26 far 0 64 0 - 9.4-28.7 Violated in 0 structures by 0.00 A. Peak 5348 from cnoeabs.peaks (4.07, 1.72, 41.88 ppm; 4.66 A increased from 3.93 A): 1 out of 2 assignments used, quality = 0.99: HA ARG 26 + HB2 LEU 29 OK 99 99 100 100 4.5-4.6 5394/1.8=79...(11) HA GLU 25 - HB2 LEU 29 far 0 93 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 5349 from cnoeabs.peaks (4.06, 0.84, 23.57 ppm; 4.53 A): 2 out of 5 assignments used, quality = 1.00: HA ARG 26 + QD2 LEU 29 OK 99 100 100 100 2.0-2.0 5929/2.1=62, 5394/3.1=60...(16) HA GLU 25 + QD2 LEU 29 OK 68 71 100 96 3.5-3.8 4161/4839=41...(13) HA VAL 90 - QD2 LEU 86 far 0 80 0 - 7.5-13.6 HD2 PRO 44 - QD2 LEU 86 far 0 53 0 - 9.1-30.7 HA ARG 71 - QD2 LEU 86 far 0 80 0 - 9.6-26.5 Violated in 0 structures by 0.00 A. Peak 5350 from cnoeabs.peaks (3.96, 2.07, 32.66 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.98: HA GLN 61 + HB3 MET 31 OK 95 100 100 95 2.6-3.4 5079/4.3=51...(9) HA VAL 76 + HB VAL 76 OK 64 64 100 100 2.4-3.0 3.0=100 HA ALA 28 - HB3 MET 31 far 0 100 0 - 4.6-5.1 HA LYS 32 - HB3 MET 31 far 0 93 0 - 5.6-5.9 HA2 GLY 72 - HB VAL 76 far 0 65 0 - 6.2-7.7 HA THR 37 - HB3 MET 31 far 0 65 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 5351 from cnoeabs.peaks (6.32, 0.71, 10.77 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.99: H PHE 35 + QD1 ILE 33 OK 99 99 100 100 4.5-4.6 4248/3.2=97, 4249/2.1=77...(10) Violated in 0 structures by 0.00 A. Peak 5352 from cnoeabs.peaks (0.70, 1.04, 26.58 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 57 + HG3 PRO 34 OK 97 97 100 100 2.5-3.3 4603/2.3=74, 4860/1.8=71...(13) QD1 ILE 33 - HG3 PRO 34 far 0 99 0 - 5.0-5.5 Violated in 0 structures by 0.00 A. Peak 5353 from cnoeabs.peaks (0.61, 2.91, 38.77 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 51 + HB3 PHE 35 OK 94 94 100 100 3.0-3.1 4534/2.6=79, 2.1/4865=72...(18) Violated in 0 structures by 0.00 A. Peak 5355 from cnoeabs.peaks (1.93, 4.28, 56.69 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.98: HB VAL 41 + HA ASP 38 OK 98 100 100 98 3.3-3.6 4333=67, 2.1/4890=62...(9) HG12 ILE 40 - HA ASP 38 far 0 63 0 - 5.6-5.9 HB2 GLU 19 - HA ASP 38 far 0 76 0 - 6.8-19.3 HG13 ILE 68 - HA ASP 38 far 0 98 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 5356 from cnoeabs.peaks (2.58, 0.83, 26.57 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.99: HB3 ASP 47 + QD1 LEU 43 OK 99 99 100 100 2.8-3.8 4449=99, 4448/2.1=89...(17) Violated in 0 structures by 0.00 A. Peak 5357 from cnoeabs.peaks (4.24, 0.83, 26.57 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 39 + QD1 LEU 43 OK 97 97 100 100 3.8-4.3 4390/2.1=69, 3.0/5111=62...(10) HB THR 37 - QD1 LEU 43 far 0 89 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 5360 from cnoeabs.peaks (4.49, 2.68, 37.13 ppm; 4.80 A increased from 4.27 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 46 + HB3 ASN 49 OK 99 100 100 100 4.5-4.6 4488/1.8=91, 4489/648=70...(5) Violated in 0 structures by 0.00 A. Peak 5361 from cnoeabs.peaks (7.06, 0.51, 22.90 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QD2 LEU 52 OK 100 100 100 100 4.1-4.4 2.2/4540=82, 4959/2.1=76...(10) Violated in 0 structures by 0.00 A. Peak 5362 from cnoeabs.peaks (0.99, 0.44, 24.59 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 57 + QD1 LEU 52 OK 99 99 100 100 4.1-4.6 4613/2.1=99, 5154=98...(12) QG1 VAL 45 - QD1 LEU 52 far 0 100 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 5363 from cnoeabs.peaks (7.32, 3.03, 43.51 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.82: QD TYR 55 + HD3 ARG 54 OK 72 76 95 100 4.1-5.9 4563/3.6=65, 2.2/4679=58...(18) QD TYR 55 + HD2 ARG 54 OK 34 76 45 100 4.1-6.0 4563/3.6=65, 5950/3.0=56...(18) Violated in 0 structures by 0.00 A. Peak 5364 from cnoeabs.peaks (0.92, 4.04, 60.18 ppm; 4.20 A increased from 3.95 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 62 + HA GLU 59 OK 99 99 100 100 3.9-4.3 2.1/4639=84, 4679=81...(8) Violated in 1 structures by 0.01 A. Peak 5365 from cnoeabs.peaks (4.03, 0.87, 24.45 ppm; 3.26 A): 1 out of 5 assignments used, quality = 0.83: HA GLU 59 + QD1 LEU 62 OK 83 87 100 96 2.5-3.5 4639=61, 5364/2.1=37...(9) HB2 SER 22 - QD1 LEU 29 far 0 88 0 - 7.4-10.2 HA ARG 54 - QD1 LEU 62 far 0 85 0 - 7.8-9.5 HD2 PRO 44 - QD1 LEU 86 far 0 84 0 - 8.9-33.0 HA PHE 48 - QD1 LEU 62 far 0 100 0 - 9.1-10.3 Violated in 1 structures by 0.01 A. Peak 5366 from cnoeabs.peaks (4.03, 1.59, 41.88 ppm; 4.18 A increased from 3.72 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 59 + HB3 LEU 62 OK 97 97 100 100 3.4-4.1 4638=91, 4637/1.8=85...(7) HA ALA 63 + HB3 LEU 62 OK 62 63 100 99 3.8-4.1 3.0/257=73, ~3907=48...(12) HB2 SER 22 - HB3 LEU 29 far 0 72 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 5367 from cnoeabs.peaks (8.13, 0.87, 24.45 ppm; 4.62 A): 2 out of 5 assignments used, quality = 0.99: H ARG 26 + QD1 LEU 29 OK 98 98 100 99 4.3-4.5 5516=40, ~5929=39...(16) H LEU 57 + QD1 LEU 62 OK 58 71 100 82 3.0-3.3 4597/2.1=49, 5747/2.1=48 H THR 88 - QD1 LEU 86 lone 0 89 25 1 3.7-7.3 H LYS 85 - QD1 LEU 86 far 0 67 0 - 5.3-7.6 H ALA 78 - QD1 LEU 86 far 0 65 0 - 8.6-22.0 Violated in 0 structures by 0.00 A. Peak 5369 from cnoeabs.peaks (1.87, 4.06, 55.02 ppm; 4.91 A increased from 4.36 A): 1 out of 2 assignments used, quality = 1.00: HB2 ARG 66 + HA ALA 63 OK 100 100 100 100 4.6-4.7 1.8/4684=96, 2.8/5370=73...(8) HB ILE 68 - HA ALA 63 far 0 73 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 5370 from cnoeabs.peaks (2.01, 4.06, 55.02 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: HG2 ARG 66 + HA ALA 63 OK 100 100 100 100 2.9-4.6 2.8/4684=78, 5167=72...(9) QE MET 31 - HA ALA 63 far 0 78 0 - 6.4-7.0 HD3 ARG 69 - HA ALA 63 far 0 85 0 - 9.2-11.3 HD2 ARG 69 - HA ALA 63 far 0 85 0 - 9.4-11.3 Violated in 1 structures by 0.00 A. Peak 5371 from cnoeabs.peaks (4.07, 1.88, 29.95 ppm; 3.38 A): 4 out of 21 assignments used, quality = 1.00: HA ARG 26 + HB2 ARG 26 OK 99 99 100 100 2.5-3.0 3.0=100 HA ARG 26 + HB3 ARG 26 OK 99 99 100 100 2.4-2.6 3.0=100 HA ARG 71 + HB3 ARG 71 OK 52 52 100 100 2.5-2.9 3.0=100 HA ARG 71 + HB2 ARG 71 OK 51 51 100 100 2.2-3.0 3.0=100 HA ALA 63 - HB2 ARG 66 far 0 100 0 - 4.6-4.7 HA GLU 25 - HB2 ARG 27 far 0 37 0 - 4.7-5.3 HA GLU 25 - HB3 ARG 27 far 0 39 0 - 5.4-6.6 HA ARG 26 - HB2 ARG 27 far 0 58 0 - 5.5-5.9 HA GLU 25 - HB2 ARG 26 far 0 75 0 - 5.7-6.6 HA GLU 25 - HB3 ARG 26 far 0 74 0 - 5.9-6.6 HA ARG 26 - HB3 ARG 27 far 0 60 0 - 6.2-6.6 HA GLU 25 - HB2 ARG 23 far 0 38 0 - 7.3-8.4 HA GLU 25 - HB3 ARG 23 far 0 40 0 - 7.3-8.3 HA ARG 26 - HB3 ARG 23 far 0 62 0 - 7.6-8.7 HA ARG 26 - HB2 ARG 23 far 0 60 0 - 7.8-9.1 HA GLU 25 - HB3 ARG 71 far 0 36 0 - 8.9-13.0 HA GLU 25 - HB2 ARG 71 far 0 35 0 - 9.0-12.5 HA ARG 71 - HB2 ARG 23 far 0 55 0 - 9.1-14.0 HA ARG 71 - HB2 ARG 66 far 0 97 0 - 9.4-10.6 HA GLU 59 - HB2 ARG 66 far 0 81 0 - 9.4-10.2 HA ARG 71 - HB2 ARG 27 far 0 54 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5372 from cnoeabs.peaks (4.07, 1.94, 29.95 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 63 + HB3 ARG 66 OK 100 100 100 100 3.0-3.1 4684=90, 5369/1.8=50...(9) HA ARG 71 + HB2 ARG 70 OK 34 84 45 90 4.1-5.7 2.9/305=28, ~307=25...(15) HA ARG 71 - HB3 ARG 70 far 0 84 0 - 4.3-5.6 HA GLU 59 - HB3 ARG 66 far 0 81 0 - 8.2-8.8 HA ALA 63 - HB3 ARG 70 far 0 88 0 - 8.6-11.6 HA ALA 63 - HB2 ARG 70 far 0 88 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 5373 from cnoeabs.peaks (0.90, 2.01, 28.91 ppm; 5.39 A): 1 out of 6 assignments used, quality = 0.57: QG2 VAL 76 + HB3 GLN 79 OK 57 59 100 97 2.4-5.6 ~16011=57, ~6044=46...(10) QG1 VAL 76 - HB3 GLN 79 poor 20 59 35 95 3.9-7.4 ~16011=57, ~6044=46...(7) QD1 LEU 62 - HG2 ARG 66 far 0 76 0 - 5.9-6.5 QD1 LEU 86 - HB3 GLN 79 far 0 85 0 - 6.4-21.5 HG LEU 51 - HG2 ARG 66 far 0 100 0 - 8.4-9.6 HG12 ILE 68 - HG2 ARG 66 far 0 73 0 - 9.3-9.8 Violated in 1 structures by 0.01 A. Peak 5374 from cnoeabs.peaks (0.93, 3.19, 43.48 ppm; 4.28 A): 0 out of 42 assignments used, quality = 0.00: QD1 LEU 64 - HD3 ARG 27 poor 18 21 85 - 1.9-4.7 QD1 LEU 64 - HD2 ARG 27 poor 15 21 100 72 1.9-4.4 5019=28, 5019/1.8=21...(7) QD2 LEU 62 - HD2 ARG 66 far 15 100 15 - 4.4-6.2 HG12 ILE 68 - HD3 ARG 27 poor 11 44 25 - 3.6-7.4 HG12 ILE 68 - HD2 ARG 27 poor 11 44 25 - 3.7-7.6 QD2 LEU 62 - HD3 ARG 66 far 10 100 10 - 4.2-6.1 HG12 ILE 68 - HD3 ARG 71 far 6 55 10 - 4.3-9.2 QG2 VAL 41 - HD3 ARG 71 far 0 53 0 - 4.8-8.8 QG2 ILE 40 - HD2 ARG 66 far 0 100 0 - 5.4-7.9 QD1 LEU 64 - HD3 ARG 71 far 0 27 0 - 5.7-9.6 QG2 ILE 40 - HD3 ARG 66 far 0 100 0 - 5.7-8.0 QG2 VAL 41 - HD2 ARG 70 far 0 84 0 - 6.1-9.6 QG2 ILE 40 - HD2 ARG 70 far 0 88 0 - 6.2-9.7 QD1 LEU 64 - HD2 ARG 26 far 0 25 0 - 6.7-10.0 QG2 ILE 40 - HD3 ARG 71 far 0 56 0 - 6.7-9.6 QG2 ILE 40 - HD3 ARG 70 far 0 91 0 - 6.8-9.5 QG1 VAL 76 - HD3 ARG 71 far 0 55 0 - 6.9-11.2 QG2 VAL 76 - HD3 ARG 71 far 0 55 0 - 7.0-13.4 QG2 VAL 41 - HD3 ARG 70 far 0 88 0 - 7.1-9.2 QD1 LEU 64 - HD3 ARG 70 far 0 50 0 - 7.5-11.4 QG2 VAL 76 - HD3 ARG 70 far 0 91 0 - 7.5-13.8 QG2 VAL 41 - HD2 ARG 27 far 0 42 0 - 7.7-11.7 QD1 LEU 64 - HD3 ARG 26 far 0 25 0 - 7.7-10.1 HG12 ILE 68 - HD3 ARG 70 far 0 91 0 - 8.0-11.7 QG2 VAL 41 - HD3 ARG 27 far 0 42 0 - 8.0-11.4 QG1 VAL 76 - HD2 ARG 70 far 0 87 0 - 8.0-12.2 QG2 ILE 40 - HD2 ARG 27 far 0 44 0 - 8.2-11.4 QG2 ILE 40 - HD3 ARG 27 far 0 44 0 - 8.2-11.3 QG1 VAL 76 - HD3 ARG 70 far 0 91 0 - 8.2-12.2 QG2 VAL 41 - HD2 ARG 66 far 0 98 0 - 8.3-11.4 QD1 LEU 64 - HD3 ARG 66 far 0 60 0 - 8.4-10.3 QD1 LEU 64 - HD2 ARG 70 far 0 47 0 - 8.5-11.7 QD1 LEU 64 - HD2 ARG 66 far 0 60 0 - 8.6-10.0 QG2 VAL 41 - HD3 ARG 66 far 0 98 0 - 8.7-11.4 QG2 VAL 76 - HD2 ARG 70 far 0 87 0 - 8.9-13.5 HG12 ILE 68 - HD2 ARG 70 far 0 87 0 - 9.0-11.9 HG12 ILE 68 - HD2 ARG 23 far 0 38 0 - 9.1-13.2 QD2 LEU 62 - HD2 ARG 70 far 0 88 0 - 9.1-14.4 HG12 ILE 68 - HD3 ARG 23 far 0 38 0 - 9.7-12.5 QD2 LEU 62 - HD3 ARG 70 far 0 91 0 - 9.7-14.0 QG2 VAL 41 - HD2 ARG 23 far 0 36 0 - 9.8-12.8 HG12 ILE 68 - HD2 ARG 26 far 0 51 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 5375 from cnoeabs.peaks (0.84, 1.88, 29.95 ppm; 4.39 A): 4 out of 16 assignments used, quality = 1.00: QD2 LEU 29 + HB3 ARG 26 OK 98 99 100 99 3.7-4.3 85/4194=37, 5349/3.0=36...(18) QD2 LEU 29 + HB2 ARG 26 OK 97 100 100 98 4.1-4.5 5349/3.0=36, ~5929=35...(16) QD2 LEU 64 + HB3 ARG 27 OK 59 60 100 98 2.7-3.5 5028=62, 5015/4.3=40...(14) QD2 LEU 64 + HB2 ARG 27 OK 51 58 90 98 3.3-4.9 5028/1.8=62, 5015/4.3=40...(14) QD2 LEU 29 - HB2 ARG 27 far 0 58 0 - 5.7-6.1 QD2 LEU 29 - HB3 ARG 27 far 0 60 0 - 6.1-7.0 QD2 LEU 64 - HB2 ARG 71 far 0 55 0 - 7.3-9.7 QD2 LEU 64 - HB2 ARG 26 far 0 100 0 - 7.3-8.2 QD2 LEU 64 - HB3 ARG 26 far 0 99 0 - 7.4-8.8 QD2 LEU 29 - HB3 ARG 23 far 0 63 0 - 7.9-8.5 QD2 LEU 64 - HB2 ARG 66 far 0 100 0 - 8.0-8.6 QD2 LEU 29 - HB2 ARG 23 far 0 60 0 - 8.1-8.8 QD2 LEU 64 - HB3 ARG 23 far 0 63 0 - 8.1-10.6 QD2 LEU 64 - HB3 ARG 71 far 0 57 0 - 8.2-9.6 QD2 LEU 64 - HB2 ARG 23 far 0 60 0 - 8.9-11.2 QD2 LEU 86 - HB3 ARG 71 far 0 52 0 - 10.0-28.1 Violated in 0 structures by 0.00 A. Peak 5376 from cnoeabs.peaks (0.30, 0.78, 13.95 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 33 + QD1 ILE 68 OK 99 100 100 99 3.8-4.2 4300/5247=81...(7) Violated in 0 structures by 0.00 A. Peak 5377 from cnoeabs.peaks (8.19, 0.78, 13.95 ppm; 5.27 A): 2 out of 4 assignments used, quality = 0.87: H ALA 28 + QD1 ILE 68 OK 73 73 100 100 4.0-4.9 2.9/4758=93, 5909=73...(9) H ARG 27 + QD1 ILE 68 OK 51 97 55 96 4.8-5.9 5520/4758=65...(8) H GLU 25 - QD1 ILE 68 far 0 96 0 - 6.2-6.9 H SER 22 - QD1 ILE 68 far 0 78 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 5378 from cnoeabs.peaks (7.97, 3.98, 60.19 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.99: H ARG 69 + HA ARG 66 OK 99 99 100 100 3.5-3.9 5379=99, 760/5047=59...(9) H ARG 70 + HA ARG 66 OK 45 76 65 92 4.0-5.1 940/5379=54, 4.3/5047=49...(7) H ALA 63 - HA ARG 66 far 0 100 0 - 7.4-7.6 H GLY 72 - HA ARG 66 far 0 92 0 - 7.5-9.0 H LYS 73 - HA ARG 66 far 0 81 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 5384 from cnoeabs.peaks (8.18, 4.49, 56.18 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.98: H ARG 27 + HA ASP 24 OK 92 100 100 92 3.3-3.6 5383=65, 5380/4169=34...(9) H GLU 25 + HA ASP 24 OK 73 73 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 5385 from cnoeabs.peaks (8.34, 4.49, 56.18 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: H ASP 24 + HA ASP 24 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 5386 from cnoeabs.peaks (7.97, 4.12, 58.29 ppm; 4.12 A): 1 out of 7 assignments used, quality = 0.97: H ALA 30 + HA ARG 27 OK 97 99 100 98 3.8-4.0 2.9/5388=79, 5538/3.6=44...(7) H LEU 29 - HA GLU 25 far 4 36 10 - 4.4-4.6 H LEU 29 - HA ARG 27 far 0 76 0 - 5.2-5.2 H ALA 30 - HA GLU 25 far 0 53 0 - 6.5-6.7 H LEU 29 - HA ARG 23 far 0 49 0 - 8.5-9.3 H ALA 30 - HA ARG 23 far 0 71 0 - 8.6-10.0 H GLY 72 - HA GLU 25 far 0 45 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 5388 from cnoeabs.peaks (4.10, 1.45, 18.15 ppm; 2.85 A): 1 out of 3 assignments used, quality = 0.75: HA ARG 27 + QB ALA 30 OK 75 95 100 79 2.7-2.8 4807=56, 5386/2.9=26...(6) HA GLU 25 - QB ALA 30 far 0 93 0 - 6.9-7.1 HA ARG 23 - QB ALA 30 far 0 73 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 5391 from cnoeabs.peaks (8.11, 4.00, 58.60 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.99: H ARG 71 + HA ARG 70 OK 99 99 100 100 3.5-3.6 3.6=100 H LYS 75 - HA ARG 70 far 0 81 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 5392 from cnoeabs.peaks (3.51, 1.85, 30.22 ppm; 4.45 A): 3 out of 9 assignments used, quality = 0.97: HA ILE 68 + HB2 ARG 71 OK 88 100 90 98 2.0-5.2 15389/776=61, 5973=45...(10) HA ILE 68 + HB3 ARG 71 OK 63 100 65 97 2.9-4.9 15389/4.0=51...(9) HD3 PRO 34 + HB3 PRO 34 OK 25 25 100 100 3.0-3.9 3.0=100 HA ILE 68 - HB2 ARG 27 far 0 100 0 - 5.9-7.5 HA ILE 68 - HB3 ARG 27 far 0 100 0 - 6.1-7.1 HA ILE 68 - HB2 ARG 66 far 0 56 0 - 7.9-8.3 HD3 PRO 34 - HB2 ARG 17 far 0 24 0 - 8.2-21.0 HA ILE 68 - HB3 ARG 23 far 0 78 0 - 8.5-10.8 HA ILE 68 - HB2 ARG 23 far 0 77 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 5394 from cnoeabs.peaks (1.57, 4.07, 58.59 ppm; 4.63 A increased from 3.90 A): 1 out of 8 assignments used, quality = 0.96: HB3 LEU 29 + HA ARG 26 OK 96 97 100 99 4.6-4.6 1.8/5348=78, 547/4184=58...(10) HB3 LEU 29 - HA GLU 25 far 0 73 0 - 6.2-6.5 HG3 ARG 23 - HA ARG 26 far 0 63 0 - 7.3-10.2 HG3 ARG 23 - HA GLU 25 far 0 43 0 - 7.4-9.7 HG LEU 64 - HA GLU 25 far 0 40 0 - 8.3-9.2 HG LEU 64 - HA ARG 71 far 0 49 0 - 9.5-10.8 HG3 ARG 23 - HA ARG 71 far 0 51 0 - 9.6-14.5 HG LEU 64 - HA ARG 26 far 0 60 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5395 from cnoeabs.peaks (1.70, 4.07, 58.59 ppm; 4.55 A increased from 3.83 A): 2 out of 3 assignments used, quality = 0.98: HB2 LEU 29 + HA ARG 26 OK 96 96 100 100 4.5-4.6 5348=88, 1.8/5394=76...(11) HG2 ARG 70 + HA ARG 71 OK 48 89 55 98 3.1-6.4 307/2.9=69, 2844/4.7=53...(14) HB2 LEU 29 - HA GLU 25 far 0 71 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 5396 from cnoeabs.peaks (7.97, 4.07, 58.59 ppm; 4.36 A): 4 out of 12 assignments used, quality = 1.00: H ALA 30 + HA ARG 26 OK 92 93 100 99 3.7-4.0 908/4184=55, 81/5348=47...(9) H LEU 29 + HA ARG 26 OK 87 89 100 98 3.6-3.7 4184=73, 4.0/5394=47...(7) H GLY 72 + HA ARG 71 OK 65 65 100 100 3.4-3.6 3.6=100 H LEU 29 + HA GLU 25 OK 47 64 100 73 4.4-4.6 3.6/4181=57, 76/5347=23 H LYS 73 - HA ARG 71 poor 12 51 65 36 3.9-5.0 5987/4.7=30, 4.5/1358=8 H ARG 70 - HA ARG 71 far 0 77 0 - 5.0-5.5 H ARG 69 - HA ARG 71 far 0 80 0 - 6.5-7.0 H VAL 76 - HA ARG 71 far 0 86 0 - 6.5-8.1 H ALA 30 - HA GLU 25 far 0 69 0 - 6.5-6.7 H LYS 32 - HA ARG 26 far 0 63 0 - 7.3-7.5 H LYS 32 - HA GLU 25 far 0 43 0 - 8.8-9.1 H GLY 72 - HA GLU 25 far 0 55 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 5400 from cnoeabs.peaks (4.20, 1.97, 28.77 ppm; 3.55 A): 2 out of 10 assignments used, quality = 0.96: HA GLN 79 + HB2 GLN 79 OK 88 88 100 100 2.4-3.0 3.0=100 HA GLN 79 + HB3 GLN 79 OK 67 67 100 100 2.4-3.0 3.0=100 HA ARG 84 - HB3 GLN 79 far 0 58 0 - 4.9-16.0 HA ALA 78 - HB2 GLN 79 far 0 85 0 - 5.5-5.9 HA ARG 84 - HB2 GLN 79 far 0 78 0 - 5.7-17.0 HA ALA 78 - HB3 GLN 79 far 0 64 0 - 5.8-6.6 HA LYS 73 - HB3 GLN 79 far 0 51 0 - 7.0-11.5 HA ARG 82 - HB3 GLN 79 far 0 46 0 - 8.1-11.3 HA LYS 73 - HB2 GLN 79 far 0 70 0 - 8.2-10.7 HA ARG 82 - HB2 GLN 79 far 0 63 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 5402 from cnoeabs.peaks (0.93, 4.18, 56.67 ppm; 3.99 A): 2 out of 14 assignments used, quality = 0.95: QG1 VAL 76 + HA LYS 73 OK 91 98 95 97 2.1-5.0 5430=85, 2.1/15432=59...(9) QG2 VAL 41 + HA LYS 73 OK 43 96 45 99 3.8-4.8 2.1/5403=69, 5263/3.0=51...(14) QG2 VAL 76 - HA LYS 73 far 10 98 10 - 1.9-5.6 QG2 ILE 40 - HA LYS 73 far 0 99 0 - 7.0-8.2 QG2 VAL 76 - HA ARG 84 far 0 96 0 - 7.1-16.4 QD1 LEU 64 - HA LEU 29 far 0 35 0 - 7.5-8.0 QG2 VAL 76 - HA ARG 82 far 0 53 0 - 8.1-11.5 QG1 VAL 90 - HA ARG 84 far 0 63 0 - 8.3-18.8 QG1 VAL 90 - HA ARG 82 far 0 30 0 - 9.5-24.5 QG1 VAL 76 - HA ARG 84 far 0 96 0 - 9.6-17.8 QG2 VAL 90 - HA ARG 82 far 0 29 0 - 9.7-22.8 QG2 VAL 90 - HA ARG 84 far 0 60 0 - 9.8-18.0 QD2 LEU 43 - HA LYS 73 far 0 82 0 - 10.0-11.5 HG12 ILE 68 - HA LYS 73 far 0 98 0 - 10.0-11.5 Violated in 1 structures by 0.01 A. Peak 5403 from cnoeabs.peaks (0.80, 4.18, 56.67 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.99: QG1 VAL 41 + HA LYS 73 OK 99 99 100 100 2.1-3.1 5626=73, 5264/3.0=56...(17) QG2 ILE 68 - HA LYS 73 far 0 92 0 - 6.5-7.9 QD1 ILE 68 - HA LEU 29 far 0 59 0 - 7.3-8.0 QG2 ILE 68 - HA LEU 29 far 0 62 0 - 9.2-10.1 QD1 ILE 68 - HA LYS 73 far 0 89 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 5412 from cnoeabs.peaks (8.22, 1.38, 18.78 ppm; 3.49 A): 2 out of 15 assignments used, quality = 1.00: H ALA 77 + QB ALA 77 OK 100 100 100 100 2.0-2.5 2.9=100 H GLN 79 + QB ALA 78 OK 88 90 100 98 2.2-3.0 3.6=93, 3.0/5446=45...(5) H ALA 77 - QB ALA 78 poor 18 91 20 - 3.5-4.4 H SER 22 - QB ALA 20 poor 7 96 25 30 2.8-6.2 3.5/6114=16, 3.5/6114=14...(4) H THR 15 - QB ALA 16 far 0 49 0 - 3.9-5.9 H GLU 25 - QB ALA 20 far 0 80 0 - 3.9-8.6 H GLN 79 - QB ALA 77 far 0 99 0 - 4.2-5.1 H ALA 28 - QB ALA 20 far 0 98 0 - 5.3-11.8 H ARG 84 - QB ALA 78 far 0 64 0 - 6.1-13.0 H ALA 28 - QB ALA 16 far 0 59 0 - 7.2-16.2 H SER 22 - QB ALA 16 far 0 58 0 - 8.4-16.2 H GLU 25 - QB ALA 16 far 0 44 0 - 9.0-17.3 H ARG 84 - QB ALA 77 far 0 76 0 - 9.1-12.5 H ARG 84 - QB ALA 16 far 0 41 0 - 9.3-45.2 H ALA 12 - QB ALA 16 far 0 50 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 5416 from cnoeabs.peaks (4.20, 2.33, 33.49 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: * HA GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.1-3.8 3.7=100 HA GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.2-3.8 3.7=100 HA ARG 84 - HG3 GLN 79 far 5 95 5 - 3.9-16.6 HA ALA 78 - HG2 GLN 79 far 0 98 0 - 5.3-7.9 HA ARG 84 - HG2 GLN 79 far 0 95 0 - 5.5-17.0 HA ALA 78 - HG3 GLN 79 far 0 98 0 - 5.6-7.4 HA ARG 82 - HG3 GLN 79 far 0 81 0 - 7.5-12.6 HA ARG 82 - HG2 GLN 79 far 0 81 0 - 7.8-12.6 HA LYS 73 - HG2 GLN 79 far 0 87 0 - 8.0-12.5 HA LYS 73 - HG3 GLN 79 far 0 87 0 - 9.1-12.7 Violated in 0 structures by 0.00 A. Peak 5417 from cnoeabs.peaks (8.22, 2.33, 33.49 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 79 + HG2 GLN 79 OK 99 100 100 99 2.2-4.7 5.1=80, 3.6/5444=61...(7) H GLN 79 + HG3 GLN 79 OK 97 100 100 97 2.6-4.5 5.1=80, 824/3.0=51...(6) H ALA 77 - HG2 GLN 79 poor 20 98 20 - 3.9-8.3 H ALA 77 - HG3 GLN 79 far 5 98 5 - 4.7-8.6 H ARG 84 - HG3 GLN 79 far 0 87 0 - 6.5-15.5 H ARG 84 - HG2 GLN 79 far 0 87 0 - 8.0-16.2 Violated in 0 structures by 0.00 A. Peak 5423 from cnoeabs.peaks (4.61, 2.70, 38.61 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.98: * HA ASN 80 + HB2 ASN 80 OK 98 98 100 100 2.4-3.0 3.0=100 HA ASN 74 - HB2 ASN 80 far 0 100 0 - 6.1-9.0 Violated in 0 structures by 0.00 A. Peak 5424 from cnoeabs.peaks (2.70, 4.62, 53.37 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 80 + HA ASN 80 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASN 80 - HA ASN 74 far 0 100 0 - 6.1-9.0 Violated in 0 structures by 0.00 A. Peak 5430 from cnoeabs.peaks (4.20, 0.92, 20.67 ppm; 3.96 A): 1 out of 18 assignments used, quality = 0.77: HA LYS 73 + QG1 VAL 76 OK 77 88 95 93 2.1-5.0 5402=64, 15432/2.1=54...(9) HA ILE 89 - QG2 VAL 90 poor 20 40 50 - 3.4-6.0 HA ILE 89 - QG1 VAL 90 poor 11 41 60 42 3.6-5.5 412/4.0=36, 5432/2.1=9 HA LYS 73 - QG2 VAL 76 far 9 89 10 - 1.9-5.6 HA GLN 79 - QG2 VAL 76 far 5 100 5 - 4.2-6.6 HA ALA 78 - QG2 VAL 76 far 0 97 0 - 5.3-7.3 HA GLN 79 - QG1 VAL 76 far 0 100 0 - 6.1-8.1 HA ALA 78 - QG1 VAL 76 far 0 97 0 - 6.6-8.0 HA ARG 84 - QG2 VAL 76 far 0 96 0 - 7.1-16.4 HB THR 37 - QG1 VAL 76 far 0 65 0 - 7.8-11.7 HA ARG 82 - QG2 VAL 76 far 0 83 0 - 8.1-11.5 HA ARG 84 - QG1 VAL 90 far 0 67 0 - 8.3-18.8 HB THR 37 - QG2 VAL 76 far 0 65 0 - 8.4-14.0 HB THR 15 - QG2 VAL 90 far 0 36 0 - 9.3-64.8 HA ARG 82 - QG1 VAL 90 far 0 55 0 - 9.5-24.5 HA ARG 84 - QG1 VAL 76 far 0 95 0 - 9.6-17.8 HA ARG 82 - QG2 VAL 90 far 0 53 0 - 9.7-22.8 HA ARG 84 - QG2 VAL 90 far 0 65 0 - 9.8-18.0 Violated in 3 structures by 0.06 A. Peak 5432 from cnoeabs.peaks (4.18, 2.04, 32.56 ppm; 4.76 A increased from 4.48 A): 2 out of 6 assignments used, quality = 0.99: * HA LYS 73 + HB VAL 76 OK 99 99 100 100 3.1-4.6 6037=100, 5430/2.1=73...(4) HA ILE 89 + HB VAL 90 OK 24 56 60 72 4.3-5.8 412/3.9=69, 5430/2.1=10 HA GLN 79 - HB VAL 76 far 0 96 0 - 5.6-9.1 HA LEU 29 - HB3 MET 31 far 0 39 0 - 6.9-7.3 HA ALA 78 - HB VAL 76 far 0 81 0 - 7.0-8.6 HB THR 15 - HB3 MET 31 far 0 50 0 - 8.9-28.1 Violated in 0 structures by 0.00 A. Peak 5435 from cnoeabs.peaks (1.37, 3.97, 62.83 ppm; 5.03 A increased from 4.47 A): 3 out of 7 assignments used, quality = 1.00: QB ALA 77 + HA VAL 76 OK 100 100 100 100 4.1-5.0 2.9/349=93, ~5437=48...(11) HG2 LYS 75 + HA VAL 76 OK 82 87 95 100 3.1-5.7 5257/3.2=68, 2.7/5853=65...(16) QB ALA 78 + HA VAL 76 OK 54 90 100 60 3.6-4.9 5444/5852=27, ~5861=25...(4) HG3 LYS 75 - HA VAL 76 poor 17 87 20 - 4.3-6.6 HG3 LYS 73 - HA VAL 76 far 0 90 0 - 5.8-8.9 HG2 LYS 85 - HA VAL 76 far 0 99 0 - 9.1-23.4 HG2 LYS 83 - HA VAL 76 far 0 100 0 - 9.9-17.0 Violated in 0 structures by 0.00 A. Peak 5436 from cnoeabs.peaks (1.37, 2.04, 32.56 ppm; 5.49 A increased from 5.17 A): 2 out of 10 assignments used, quality = 1.00: QB ALA 77 + HB VAL 76 OK 100 100 100 100 4.3-5.6 2.9/350=87, ~5437=69...(8) HG3 LYS 73 + HB VAL 76 OK 54 95 65 88 3.0-6.9 3.8/15432=77, ~5255=33...(5) HG2 LYS 75 - HB VAL 76 poor 18 92 20 - 3.8-6.7 HG3 LYS 75 - HB VAL 76 poor 18 92 20 - 4.9-7.7 QB ALA 78 - HB VAL 76 far 14 95 15 - 5.5-6.9 HG3 ARG 69 - HB VAL 76 far 0 100 0 - 7.9-11.4 QB ALA 16 - HB3 MET 31 far 0 54 0 - 9.0-19.4 QB ALA 16 - HB VAL 76 far 0 92 0 - 9.1-29.4 HG2 LYS 85 - HB VAL 90 far 0 68 0 - 9.4-18.5 HG2 LYS 83 - HB VAL 76 far 0 99 0 - 10.0-18.6 Violated in 0 structures by 0.00 A. Peak 5437 from cnoeabs.peaks (0.91, 4.23, 52.70 ppm; 4.61 A increased from 4.34 A): 1 out of 9 assignments used, quality = 0.92: QG2 VAL 76 + HA ALA 77 OK 92 97 100 95 3.5-4.6 ~350=44, ~349=38...(11) QG1 VAL 76 - HA ALA 77 far 14 97 15 - 3.4-5.6 QG2 VAL 76 - HA ALA 78 far 0 49 0 - 5.3-7.3 QG1 VAL 76 - HA ALA 78 far 0 49 0 - 6.6-8.0 QD1 LEU 86 - HA ALA 78 far 0 36 0 - 7.1-20.2 QG2 VAL 41 - HA ALA 77 far 0 71 0 - 8.0-10.3 QG2 VAL 41 - HA ALA 20 far 0 30 0 - 8.3-16.0 QD1 LEU 86 - HA ALA 77 far 0 78 0 - 8.6-21.0 QG2 ILE 40 - HA ALA 20 far 0 36 0 - 9.7-17.9 Violated in 0 structures by 0.00 A. Peak 5438 from cnoeabs.peaks (7.47, 2.33, 33.49 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: HE21 GLN 79 + HG3 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 * HE21 GLN 79 + HG2 GLN 79 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 5444 from cnoeabs.peaks (1.38, 2.33, 33.49 ppm; 4.61 A): 1 out of 14 assignments used, quality = 0.39: QB ALA 78 + HG2 GLN 79 OK 39 100 50 78 3.3-6.2 5446/3.7=66, 3.6/5415=30 QB ALA 78 - HG3 GLN 79 far 15 100 15 - 3.3-6.0 QB ALA 77 - HG2 GLN 79 far 0 99 0 - 5.0-8.1 HG2 LYS 75 - HG2 GLN 79 far 0 99 0 - 5.0-11.8 QB ALA 77 - HG3 GLN 79 far 0 99 0 - 5.2-8.1 HG2 LYS 75 - HG3 GLN 79 far 0 99 0 - 6.6-11.9 HG3 LYS 75 - HG2 GLN 79 far 0 99 0 - 6.8-12.9 HG2 LYS 85 - HG3 GLN 79 far 0 100 0 - 6.8-20.8 HG2 LYS 83 - HG3 GLN 79 far 0 93 0 - 7.5-14.1 HG3 LYS 75 - HG3 GLN 79 far 0 99 0 - 7.9-13.0 HG2 LYS 85 - HG2 GLN 79 far 0 100 0 - 8.2-20.3 HG2 LYS 83 - HG2 GLN 79 far 0 93 0 - 8.6-14.5 HG3 LYS 73 - HG2 GLN 79 far 0 100 0 - 8.9-14.5 HG3 LYS 73 - HG3 GLN 79 far 0 100 0 - 9.3-14.7 Violated in 11 structures by 0.68 A. Peak 5445 from cnoeabs.peaks (8.21, 4.20, 56.12 ppm; 3.70 A): 1 out of 5 assignments used, quality = 1.00: * H GLN 79 + HA GLN 79 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 84 - HA ARG 82 far 0 61 0 - 5.2-6.6 H ARG 84 - HA GLN 79 far 0 90 0 - 5.6-14.2 H ALA 77 - HA GLN 79 far 0 97 0 - 6.4-7.3 H GLN 79 - HA ARG 82 far 0 74 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 5446 from cnoeabs.peaks (1.39, 4.20, 56.12 ppm; 3.95 A increased from 3.72 A): 1 out of 11 assignments used, quality = 0.82: QB ALA 78 + HA GLN 79 OK 82 100 100 82 3.6-3.9 5.0=50, 5444/3.7=42...(4) HG2 LYS 83 - HA ARG 82 poor 15 59 25 - 3.6-7.4 HG2 LYS 83 - HA GLN 79 far 0 89 0 - 5.4-12.1 HG2 LYS 85 - HA GLN 79 far 0 99 0 - 5.8-19.5 QB ALA 77 - HA GLN 79 far 0 97 0 - 6.4-7.0 HG2 LYS 85 - HA ARG 82 far 0 70 0 - 6.9-13.7 QB ALA 77 - HA ARG 82 far 0 69 0 - 7.2-9.4 QB ALA 78 - HA ARG 82 far 0 74 0 - 7.3-9.2 HG2 LYS 75 - HA GLN 79 far 0 100 0 - 7.6-12.1 HG3 LYS 75 - HA GLN 79 far 0 100 0 - 8.8-12.8 HG3 LYS 73 - HA GLN 79 far 0 100 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 5448 from cnoeabs.peaks (8.05, 2.04, 32.56 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.39: H GLN 91 + HB VAL 90 OK 39 39 100 100 2.2-4.5 4.4=100 H TYR 81 - HB VAL 76 far 15 98 15 - 6.4-9.8 H ARG 82 - HB VAL 76 far 0 97 0 - 8.4-13.6 Violated in 0 structures by 0.00 A. Peak 5451 from cnoeabs.peaks (4.46, 3.03, 38.06 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 81 + HB2 TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5452 from cnoeabs.peaks (4.46, 2.98, 38.06 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.6-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5454 from cnoeabs.peaks (3.03, 4.46, 58.30 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 81 + HA TYR 81 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 5455 from cnoeabs.peaks (2.98, 4.46, 58.30 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TYR 81 + HA TYR 81 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 73 - HA TYR 81 far 0 65 0 - 6.2-14.6 HE2 LYS 75 - HA SER 22 far 0 79 0 - 7.0-15.7 HE3 LYS 75 - HA SER 22 far 0 77 0 - 7.4-16.4 HE2 LYS 73 - HA TYR 81 far 0 68 0 - 7.9-15.2 Violated in 0 structures by 0.00 A. 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): 1 out of 5 assignments used, quality = 1.00: * HA ALA 78 + HB2 TYR 81 OK 100 100 100 100 3.7-4.6 5862=100, 6049/1.8=76...(6) HA ARG 84 - HB2 TYR 81 far 0 78 0 - 4.9-11.7 HA GLN 79 - HB2 TYR 81 far 0 98 0 - 5.1-6.9 HA ALA 77 - HB2 TYR 81 far 0 65 0 - 6.0-7.5 HA LYS 85 - HB2 TYR 81 far 0 76 0 - 9.2-15.3 Violated in 1 structures by 0.00 A. Peak 5459 from cnoeabs.peaks (4.21, 2.98, 38.06 ppm; 4.69 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 78 + HB3 TYR 81 OK 100 100 100 100 2.2-3.0 6049=100, 5862/1.8=83...(6) HA ALA 77 - HB3 TYR 81 far 10 65 15 - 4.7-5.9 HA GLN 79 - HB3 TYR 81 lone 5 98 45 11 4.6-5.6 6050/3.9=9, 5886=1 HA ARG 84 - HB3 TYR 81 far 0 78 0 - 5.5-12.2 HA LYS 85 - HB3 TYR 81 far 0 76 0 - 9.2-15.5 HA LYS 73 - HB3 TYR 81 far 0 69 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * QD TYR 81 + HB2 TYR 81 OK 100 100 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 5463 from cnoeabs.peaks (7.08, 2.98, 38.06 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.3-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 5464 from cnoeabs.peaks (8.05, 2.98, 38.06 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 81 + HB3 TYR 81 OK 100 100 100 100 2.1-3.0 3.9=100 H ARG 82 + HB3 TYR 81 OK 100 100 100 100 3.4-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 5465 from cnoeabs.peaks (8.05, 3.03, 38.06 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 81 + HB2 TYR 81 OK 100 100 100 100 2.7-3.7 3.9=100 H ARG 82 + HB2 TYR 81 OK 100 100 100 100 2.1-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 5466 from cnoeabs.peaks (7.07, 4.46, 58.30 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 81 + HA TYR 81 OK 99 100 100 99 2.2-3.6 4674=97, 4.3/5474=39...(5) Violated in 0 structures by 0.00 A. Peak 5467 from cnoeabs.peaks (8.05, 4.46, 58.30 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 81 + HA TYR 81 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 82 + HA TYR 81 OK 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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; 2.86 A): 1 out of 3 assignments used, quality = 0.98: HG2 ARG 82 + HB3 ARG 82 OK 98 100 100 98 2.3-2.9 2.9=94, 5885/3.0=34...(11) HB3 ARG 54 - HB2 PRO 34 far 0 76 0 - 6.9-8.6 HG2 LYS 39 - HB2 PRO 34 far 0 76 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 5480 from cnoeabs.peaks (1.53, 1.69, 30.45 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.99: HG2 ARG 82 + HB2 ARG 82 OK 99 99 100 100 2.8-3.0 2.9=100 HB3 LEU 86 - HB2 ARG 82 far 0 60 0 - 7.4-15.8 Violated in 0 structures by 0.00 A. Peak 5481 from cnoeabs.peaks (4.17, 1.53, 27.13 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.99: * HA ARG 82 + HG2 ARG 82 OK 99 99 100 100 2.4-3.7 3.8=100 HA ARG 84 - HG2 ARG 82 far 5 90 5 - 4.2-9.4 HA GLN 79 - HG2 ARG 82 far 0 60 0 - 4.4-10.3 HA LEU 29 - HG LEU 64 far 0 91 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. 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): 1 out of 9 assignments used, quality = 0.54: HG2 ARG 23 + HG3 ARG 23 OK 54 54 100 100 1.8-1.8 1.8=100 HB2 ARG 82 - HG2 ARG 82 far 0 100 0 - 2.8-3.0 HB3 LEU 64 - HG LEU 64 far 0 94 0 - 2.9-3.0 HB3 LYS 85 - HG2 ARG 82 far 0 63 0 - 5.2-14.4 HB3 LYS 83 - HG2 ARG 82 far 0 76 0 - 5.2-8.6 HG2 ARG 70 - HG LEU 64 far 0 84 0 - 8.0-10.7 HG3 ARG 66 - HG LEU 64 far 0 94 0 - 8.3-9.0 HG LEU 29 - HG3 ARG 23 far 0 63 0 - 9.0-12.1 HG LEU 29 - HG LEU 64 far 0 73 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 5484 from cnoeabs.peaks (1.77, 1.53, 27.13 ppm; 3.25 A): 1 out of 10 assignments used, quality = 1.00: HB3 ARG 82 + HG2 ARG 82 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 LYS 83 - HG2 ARG 82 far 0 93 0 - 4.5-8.3 HG3 ARG 26 - HG3 ARG 23 far 0 64 0 - 5.0-7.7 HG3 ARG 71 - HG LEU 64 far 0 81 0 - 6.5-9.3 HB ILE 33 - HG LEU 64 far 0 94 0 - 7.3-7.9 HB2 LEU 62 - HG LEU 64 far 0 71 0 - 9.0-9.4 HG3 ARG 71 - HG3 ARG 23 far 0 70 0 - 9.1-13.8 HB2 LEU 57 - HG LEU 64 far 0 94 0 - 9.6-10.5 HB3 LYS 75 - HG3 ARG 23 far 0 63 0 - 9.8-16.7 HG3 ARG 26 - HG LEU 64 far 0 75 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 5485 from cnoeabs.peaks (8.18, 4.26, 56.28 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.75: H ARG 84 + HA LYS 83 OK 75 75 100 100 2.1-2.6 3.6=100 H ARG 84 - HA LYS 85 far 0 41 0 - 4.7-6.3 H THR 15 - HA ARG 17 far 0 54 0 - 6.6-9.0 H ILE 89 - HA LYS 85 far 0 51 0 - 7.6-13.0 H GLU 25 - HA GLU 19 far 0 83 0 - 8.3-12.7 H ARG 27 - HA GLU 19 far 0 100 0 - 9.6-15.5 Violated in 0 structures by 0.00 A. Peak 5486 from cnoeabs.peaks (1.36, 4.28, 56.26 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.98: QB ALA 16 + HA ARG 17 OK 95 100 100 95 3.8-4.4 5.0=89, ~22=56, 3717/3.6=2 QB ALA 20 + HA GLU 19 OK 64 64 100 100 3.8-5.0 4.5=100 QB ALA 16 - HA GLU 19 far 8 80 10 - 4.2-9.6 QB ALA 20 - HA ARG 17 far 4 87 5 - 3.5-10.5 QB ALA 28 - HA ARG 17 far 0 81 0 - 5.4-13.1 QB ALA 28 - HA GLU 19 far 0 58 0 - 6.7-12.8 QB ALA 12 - HA ARG 17 far 0 65 0 - 9.3-14.4 Violated in 0 structures by 0.00 A. Peak 5488 from cnoeabs.peaks (8.09, 1.71, 27.11 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.96: H ARG 71 + HG2 ARG 70 OK 96 96 100 100 2.3-4.0 5.0=100 H LYS 75 - HG2 ARG 70 far 0 100 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. Peak 5489 from cnoeabs.peaks (8.11, 1.61, 27.11 ppm; 4.45 A): 4 out of 15 assignments used, quality = 0.94: H ARG 71 + HG3 ARG 70 OK 70 100 70 100 2.8-5.0 307/1.8=82, 5.0=71...(13) H LYS 85 + HG2 ARG 84 OK 53 73 80 90 2.8-5.4 377/3.9=65, 378/3.0=32...(6) H LYS 85 + HG3 ARG 84 OK 36 73 55 91 3.6-5.5 377/3.9=65, 378/3.0=32...(6) H ARG 26 + HG2 ARG 26 OK 34 34 100 99 2.1-3.8 4.9=74, 528/3.0=62...(17) H ARG 26 - HG2 ARG 27 poor 9 44 20 - 3.9-7.1 H ARG 26 - HG3 ARG 27 poor 9 43 20 - 3.9-7.1 H THR 88 - HG LEU 86 far 3 57 5 - 4.7-8.5 H LYS 85 - HG LEU 86 far 0 89 0 - 5.9-8.7 H LYS 75 - HG3 ARG 70 far 0 92 0 - 6.8-10.0 H ARG 71 - HG3 ARG 27 far 0 71 0 - 8.2-11.7 H THR 88 - HG3 ARG 84 far 0 44 0 - 8.6-14.6 H ARG 71 - HG2 ARG 27 far 0 73 0 - 8.8-11.5 H THR 88 - HG2 ARG 84 far 0 44 0 - 9.5-14.3 H ARG 26 - HG3 ARG 17 far 0 68 0 - 9.6-17.4 H ARG 26 - HG2 ARG 17 far 0 69 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 5490 from cnoeabs.peaks (7.95, 3.21, 43.49 ppm; 5.13 A): 2 out of 20 assignments used, quality = 0.99: H ARG 70 + HD3 ARG 70 OK 95 100 95 100 3.4-5.9 2864/3.0=79, 2872/3.0=74...(18) H ARG 70 + HD2 ARG 70 OK 80 100 80 100 3.1-6.0 2864/3.0=79, 2872/3.0=74...(18) H ASP 67 - HD3 ARG 70 poor 15 76 20 - 4.8-8.8 H ASP 67 - HD3 ARG 66 poor 14 58 25 - 5.3-6.6 H ALA 63 - HD3 ARG 66 poor 14 56 25 - 4.9-7.9 H ALA 63 - HD2 ARG 66 far 9 59 15 - 4.8-8.3 H ASP 67 - HD2 ARG 70 far 8 76 10 - 5.4-9.3 H ARG 69 - HD3 ARG 70 far 3 60 5 - 5.2-8.4 H ARG 69 - HD2 ARG 70 far 0 60 0 - 5.4-8.5 H ARG 70 - HD3 ARG 71 far 0 58 0 - 5.5-8.2 H ASP 67 - HD2 ARG 66 far 0 61 0 - 5.5-6.6 H ARG 69 - HD2 ARG 66 far 0 47 0 - 5.9-8.6 H ARG 70 - HD2 ARG 66 far 0 89 0 - 6.0-9.4 H ARG 69 - HD3 ARG 71 far 0 28 0 - 6.0-8.6 H ARG 69 - HD3 ARG 66 far 0 44 0 - 6.3-8.5 H ARG 70 - HD3 ARG 66 far 0 85 0 - 6.3-8.9 H ASP 67 - HD3 ARG 71 far 0 37 0 - 7.3-10.2 H VAL 76 - HD3 ARG 71 far 0 57 0 - 7.5-11.8 H VAL 76 - HD3 ARG 70 far 0 99 0 - 7.5-12.7 H VAL 76 - HD2 ARG 70 far 0 99 0 - 8.0-13.3 Violated in 0 structures by 0.00 A. Peak 5494 from cnoeabs.peaks (3.93, 4.26, 52.94 ppm; 4.77 A increased from 4.49 A): 2 out of 7 assignments used, quality = 0.83: HA3 GLY 21 + HA ALA 20 OK 64 90 100 70 4.3-4.9 ~6114=28, 4800=28...(4) HA2 GLY 21 + HA ALA 20 OK 53 89 85 70 4.3-5.2 6114/2.1=30, 1.8/4800=27...(4) HA3 GLY 18 - HA ALA 20 far 0 99 0 - 5.6-8.0 HA2 GLY 18 - HA ALA 20 far 0 99 0 - 5.8-8.0 HA THR 37 - HA ALA 20 far 0 100 0 - 6.8-16.7 HA2 GLY 72 - HA ALA 77 far 0 24 0 - 8.9-10.6 HA ALA 28 - HA ALA 20 far 0 76 0 - 9.7-16.3 Violated in 0 structures by 0.00 A. Peak 5495 from cnoeabs.peaks (1.62, 3.95, 45.26 ppm; 6.50 A increased from 5.46 A): 4 out of 16 assignments used, quality = 0.92: HG2 ARG 17 + HA2 GLY 18 OK 51 64 95 83 3.9-6.9 2.9/5496=45, 2.9/4150=35...(4) HG2 ARG 17 + HA3 GLY 18 OK 49 66 90 82 4.3-6.9 2.9/5496=40, ~5496=36...(4) HG3 ARG 17 + HA2 GLY 18 OK 43 64 80 83 3.3-7.7 2.9/5496=45, 2.9/4150=35...(4) HG3 ARG 17 + HA3 GLY 18 OK 41 67 75 82 3.5-7.3 2.9/5496=40, ~5496=36...(4) HG2 ARG 26 - HA2 GLY 21 poor 15 100 45 34 4.8-9.7 1.8/4150=11, 5925/4151=9...(5) HG2 ARG 26 - HA3 GLY 21 poor 11 100 40 28 4.9-9.8 ~4150=10, 1.8/4150=7...(5) HG2 ARG 26 - HA2 GLY 18 far 6 65 10 - 4.6-16.0 HG2 ARG 26 - HA3 GLY 18 far 3 67 5 - 3.9-15.4 HG2 ARG 17 - HA3 GLY 21 far 0 100 0 - 7.6-15.2 HG3 ARG 17 - HA2 GLY 21 far 0 100 0 - 7.7-15.7 HG3 ARG 17 - HA3 GLY 21 far 0 100 0 - 7.8-15.5 HG2 ARG 17 - HA2 GLY 21 far 0 100 0 - 8.3-15.3 HG3 ARG 27 - HA3 GLY 21 far 0 97 0 - 9.0-13.4 HG3 ARG 27 - HA2 GLY 21 far 0 97 0 - 9.0-14.4 HG2 ARG 27 - HA2 GLY 21 far 0 98 0 - 9.6-14.3 HG2 ARG 27 - HA3 GLY 21 far 0 98 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 5496 from cnoeabs.peaks (1.86, 3.95, 45.26 ppm; 5.78 A increased from 5.14 A): 2 out of 26 assignments used, quality = 0.47: HB2 ARG 17 + HA2 GLY 18 OK 29 42 100 68 3.9-5.9 1.8/4150=34, ~4150=27...(5) HB2 ARG 17 + HA3 GLY 18 OK 25 44 85 68 4.4-6.3 1.8/4150=33, ~4150=27...(5) HB2 ARG 26 - HA2 GLY 21 far 4 89 5 - 5.9-10.5 HB3 ARG 26 - HA3 GLY 18 far 3 52 5 - 5.2-16.5 HB3 ARG 26 - HA2 GLY 18 far 3 50 5 - 6.0-16.7 HB2 ARG 17 - HA3 GLY 21 far 0 76 0 - 6.5-15.4 HB2 ARG 26 - HA3 GLY 18 far 0 54 0 - 6.5-16.2 HB2 LYS 39 - HA3 GLY 18 far 0 64 0 - 6.6-21.3 HB3 ARG 26 - HA2 GLY 21 far 0 87 0 - 6.6-11.3 HB2 ARG 26 - HA2 GLY 18 far 0 51 0 - 7.2-16.5 HB2 ARG 26 - HA3 GLY 21 far 0 89 0 - 7.2-11.2 HB3 ARG 26 - HA3 GLY 21 far 0 87 0 - 7.3-11.9 HB2 ARG 17 - HA2 GLY 21 far 0 76 0 - 7.4-15.9 HB3 PRO 34 - HA3 GLY 18 far 0 61 0 - 7.8-21.4 HB3 PRO 34 - HA2 GLY 18 far 0 59 0 - 7.9-22.8 HB2 ARG 23 - HA3 GLY 21 far 0 90 0 - 8.1-9.7 HB2 LYS 39 - HA2 GLY 18 far 0 62 0 - 8.2-22.5 HB3 ARG 23 - HA2 GLY 21 far 0 92 0 - 8.3-10.2 HB2 ARG 23 - HA2 GLY 21 far 0 90 0 - 8.4-9.6 HB2 LYS 75 - HA2 GLY 18 far 0 47 0 - 8.4-27.0 HB3 ARG 23 - HA3 GLY 21 far 0 92 0 - 8.6-10.2 HB2 LYS 75 - HA3 GLY 18 far 0 49 0 - 9.3-27.7 HB2 ARG 27 - HA3 GLY 21 far 0 97 0 - 9.4-12.3 HB2 ARG 27 - HA2 GLY 21 far 0 97 0 - 9.4-12.0 HB3 PRO 14 - HA3 GLY 18 far 0 42 0 - 9.7-15.8 HB3 PRO 14 - HA2 GLY 18 far 0 40 0 - 9.9-15.8 Violated in 0 structures by 0.00 A. Peak 5497 from cnoeabs.peaks (1.87, 3.89, 63.89 ppm; 6.31 A increased from 5.61 A): 2 out of 10 assignments used, quality = 0.85: HB2 ARG 23 + HB3 SER 22 OK 67 78 95 90 3.8-6.7 4.2/5320=72, ~5499=32...(4) HB3 ARG 23 + HB3 SER 22 OK 55 81 75 91 4.5-7.2 4.2/5320=72, ~5499=46...(4) HB2 ARG 26 - HB3 SER 22 far 10 97 10 - 6.3-8.6 HB2 ARG 27 - HB3 SER 22 far 0 90 0 - 6.9-9.2 HB3 ARG 26 - HB3 SER 22 far 0 96 0 - 7.0-9.8 HB3 ARG 71 - HB3 SER 22 far 0 92 0 - 7.8-13.3 HB3 ARG 27 - HB3 SER 22 far 0 92 0 - 7.9-10.8 HB2 ARG 71 - HB3 SER 22 far 0 90 0 - 8.3-12.5 HB2 LYS 75 - HB3 SER 22 far 0 68 0 - 8.7-12.9 HB ILE 68 - HB3 SER 22 far 0 63 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 5498 from cnoeabs.peaks (2.27, 3.89, 63.89 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: HG2 GLU 25 + HB3 SER 22 OK 97 98 100 99 2.3-5.3 523/5084=56, 3.0/4155=54...(8) Violated in 1 structures by 0.00 A. Peak 5499 from cnoeabs.peaks (1.84, 4.01, 63.89 ppm; 5.63 A increased from 5.30 A): 2 out of 7 assignments used, quality = 0.94: HB2 ARG 23 + HB2 SER 22 OK 84 100 100 84 3.8-5.9 4.2/4156=68, ~5497=25...(4) HB3 ARG 23 + HB2 SER 22 OK 59 99 70 85 4.2-7.2 4.2/4156=68, ~5497=31...(4) HB2 ARG 27 - HB2 SER 22 far 0 97 0 - 7.0-9.5 HB3 ARG 71 - HB2 SER 22 far 0 96 0 - 7.8-14.1 HB3 ARG 27 - HB2 SER 22 far 0 96 0 - 8.2-11.2 HB2 ARG 71 - HB2 SER 22 far 0 97 0 - 8.5-13.0 HB2 LYS 75 - HB2 SER 22 far 0 100 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 5500 from cnoeabs.peaks (2.27, 4.45, 58.33 ppm; 5.68 A increased from 4.54 A): 2 out of 2 assignments used, quality = 0.88: HG2 GLU 25 + HA SER 22 OK 83 92 90 100 4.7-6.7 3.0/4153=88, 5498/3.0=75...(11) HG3 GLU 25 + HA SER 22 OK 31 63 50 100 4.8-6.7 3.0/4153=88, ~5498=58...(11) Violated in 0 structures by 0.00 A. Peak 5501 from cnoeabs.peaks (8.34, 4.45, 58.33 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.91: H ASP 24 + HA SER 22 OK 91 100 100 91 4.0-4.9 4156/3.0=65, 5320/3.0=52...(4) H LYS 83 - HA TYR 81 poor 14 70 20 - 3.3-6.6 H GLU 19 - HA SER 22 far 0 96 0 - 8.4-12.4 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (4.46, 4.13, 58.01 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.93: HA SER 22 + HA ARG 23 OK 78 97 100 81 4.3-4.3 5501/3.6=68, ~5499=23, ~5497=19 HA ASP 24 + HA ARG 23 OK 50 63 100 79 4.7-4.8 4169/5345=38, ~44=27...(7) HA ASP 24 + HA ARG 27 OK 38 40 100 95 5.0-5.6 6057/3.6=58, 4157/3.0=45...(9) HA SER 22 - HA ARG 27 far 0 68 0 - 9.5-11.5 HA PRO 14 - HA ARG 27 far 0 74 0 - 9.7-27.6 Violated in 0 structures by 0.00 A. Peak 5505 from cnoeabs.peaks (1.87, 2.56, 40.55 ppm; 5.56 A): 3 out of 11 assignments used, quality = 0.99: HB3 ARG 27 + HB2 ASP 24 OK 87 92 100 95 4.0-5.7 ~4157=58, 5974/4760=40...(9) HB2 ARG 27 + HB2 ASP 24 OK 85 90 100 94 3.8-4.4 4157/3.0=67, 4833/52=23...(10) HB2 ARG 23 + HB2 ASP 24 OK 28 78 40 90 5.5-7.3 4.2/517=82, ~5524=17...(5) HB3 ARG 23 - HB2 ASP 24 poor 16 81 20 - 5.6-7.3 HB ILE 68 - HB2 ASP 24 far 6 63 10 - 5.8-6.7 HB2 ARG 71 - HB2 ASP 24 lone 2 90 25 8 4.8-7.9 5927/4760=3, 5096/4752=3 HB3 ARG 71 - HB2 ASP 24 lone 0 92 25 2 4.5-8.4 HB2 ARG 26 - HB2 ASP 24 far 0 97 0 - 6.4-8.9 HB2 LYS 75 - HB2 ASP 24 far 0 68 0 - 7.9-12.1 HB3 ARG 26 - HB2 ASP 24 far 0 96 0 - 8.0-9.0 HB2 LYS 39 - HB2 ASP 24 far 0 93 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 5506 from cnoeabs.peaks (1.87, 2.59, 40.55 ppm; 5.48 A): 3 out of 11 assignments used, quality = 0.93: HB2 ARG 27 + HB3 ASP 24 OK 71 81 100 88 4.7-5.7 4157/3.0=58, 4833/53=23...(7) HB3 ARG 23 + HB3 ASP 24 OK 52 68 85 90 4.6-6.2 4.2/518=84, 3.0/5524=19...(4) HB2 ARG 23 + HB3 ASP 24 OK 51 65 85 91 4.1-6.2 4.2/518=84, 3.0/5524=19...(5) HB3 ARG 71 - HB3 ASP 24 poor 17 83 20 - 4.5-9.0 HB2 ARG 71 - HB3 ASP 24 poor 16 81 20 - 4.8-8.4 HB3 ARG 27 - HB3 ASP 24 far 12 83 15 - 5.4-6.9 HB2 GLN 91 - HB3 ASP 47 far 0 38 0 - 6.7-50.3 HB2 ARG 26 - HB3 ASP 24 far 0 99 0 - 6.7-9.1 HB ILE 68 - HB3 ASP 24 far 0 76 0 - 7.1-8.2 HB2 LYS 39 - HB3 ASP 47 far 0 44 0 - 7.5-9.5 HB3 ARG 26 - HB3 ASP 24 far 0 99 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 5507 from cnoeabs.peaks (0.79, 2.56, 40.55 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 68 + HB2 ASP 24 OK 95 96 100 99 4.3-4.4 4760=86, 2.1/5508=71...(11) QG2 ILE 68 + HB2 ASP 24 OK 88 90 100 97 3.0-4.1 2.9/4760=61, 3.2/5508=59...(8) QG1 VAL 41 - HB2 ASP 24 far 0 100 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 5508 from cnoeabs.peaks (0.94, 2.56, 40.55 ppm; 4.58 A): 1 out of 6 assignments used, quality = 0.82: HG12 ILE 68 + HB2 ASP 24 OK 82 85 100 97 3.2-4.0 2.1/4760=74, 1.8/5976=49...(9) QD1 LEU 64 - HB2 ASP 24 far 0 92 0 - 5.2-6.1 QG2 VAL 41 - HB2 ASP 24 far 0 100 0 - 5.3-6.7 QG2 ILE 40 - HB2 ASP 24 far 0 97 0 - 6.8-8.0 QG1 VAL 76 - HB2 ASP 24 far 0 85 0 - 8.3-11.9 QG2 VAL 76 - HB2 ASP 24 far 0 85 0 - 9.3-14.2 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (8.13, 2.26, 36.07 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: H ARG 26 + HG2 GLU 25 OK 100 100 100 100 2.1-4.8 58=100, 3.6/1332=86...(7) H ARG 26 - HG3 GLU 19 far 0 61 0 - 5.8-16.4 H ARG 26 - HG2 GLU 19 far 0 61 0 - 6.5-15.5 Violated in 0 structures by 0.00 A. Peak 5512 from cnoeabs.peaks (1.35, 2.30, 36.07 ppm; 5.62 A increased from 5.29 A): 1 out of 4 assignments used, quality = 0.96: QB ALA 28 + HG3 GLU 25 OK 96 97 100 100 4.2-5.5 4181/1333=87...(7) QB ALA 20 - HG3 GLU 25 poor 9 63 50 28 3.2-8.7 5514/1.8=11, 4167/3.0=8 QB ALA 16 - HG3 GLU 25 far 0 97 0 - 6.9-15.1 HB2 LEU 52 - HG3 GLU 59 far 0 67 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 5513 from cnoeabs.peaks (1.16, 2.30, 36.07 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.98: QG2 THR 37 + HG3 GLU 25 OK 98 99 100 100 3.1-5.2 4164/1.8=79...(8) QG2 THR 15 - HG3 GLU 25 far 0 63 0 - 5.6-17.4 Violated in 2 structures by 0.00 A. Peak 5514 from cnoeabs.peaks (1.36, 2.26, 36.07 ppm; 6.03 A increased from 5.08 A): 4 out of 13 assignments used, quality = 0.95: QB ALA 28 + HG2 GLU 25 OK 78 78 100 100 4.5-6.1 5512/1.8=77...(7) QB ALA 20 + HG3 GLU 19 OK 42 49 90 94 2.7-6.6 ~29=61, ~31=35, ~30=35...(8) QB ALA 20 + HG2 GLU 19 OK 42 49 90 94 4.1-6.8 ~29=61, ~31=35, ~30=35...(8) QB ALA 20 + HG2 GLU 25 OK 32 89 65 55 2.2-8.1 4.8/5284=22, 4.8/5284=22...(5) QB ALA 16 - HG3 GLU 19 far 9 62 15 - 3.0-10.4 QB ALA 16 - HG2 GLU 19 far 9 62 15 - 3.0-10.9 QB ALA 28 - HG3 GLU 19 far 4 41 10 - 6.1-14.8 QB ALA 28 - HG2 GLU 19 far 2 41 5 - 5.9-14.2 HG3 LYS 75 - HG3 GLU 19 far 2 30 5 - 6.1-24.9 HG3 LYS 75 - HG2 GLU 19 far 0 30 0 - 6.8-24.0 QB ALA 16 - HG2 GLU 25 far 0 100 0 - 7.2-16.4 HG2 LYS 75 - HG3 GLU 19 far 0 30 0 - 7.6-26.7 HG2 LYS 75 - HG2 GLU 19 far 0 30 0 - 8.3-25.8 Violated in 0 structures by 0.00 A. Peak 5515 from cnoeabs.peaks (1.17, 2.05, 29.32 ppm; 6.50 A): 2 out of 8 assignments used, quality = 1.00: QG2 THR 37 + HB2 GLU 25 OK 100 100 100 100 3.2-5.9 5105/3.0=100...(8) QG2 THR 37 + HB3 GLU 25 OK 100 100 100 100 3.0-5.7 5105/3.0=100...(8) QG2 THR 15 - HB3 GLU 25 far 4 87 5 - 4.7-16.5 QG2 THR 15 - HB2 GLU 25 far 4 87 5 - 6.1-17.3 HG LEU 52 - HB2 GLU 50 far 0 52 0 - 6.8-7.4 HG LEU 52 - HB3 GLU 50 far 0 52 0 - 7.1-7.7 QG2 THR 15 - HB3 PRO 56 far 0 43 0 - 7.4-25.1 HG LEU 52 - HB3 PRO 56 far 0 38 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 5517 from cnoeabs.peaks (4.29, 2.26, 36.07 ppm; 4.31 A): 0 out of 10 assignments used, quality = 0.00: HA ARG 17 - HG3 GLU 19 far 0 53 0 - 5.1-10.6 HA ALA 16 - HG2 GLU 19 far 0 48 0 - 5.2-13.0 HA ALA 16 - HG3 GLU 19 far 0 48 0 - 5.4-12.4 HA ARG 17 - HG2 GLU 19 far 0 53 0 - 5.5-9.4 HA ALA 16 - HG2 GLU 25 far 0 87 0 - 6.7-19.6 HA ASP 38 - HG2 GLU 19 far 0 54 0 - 7.3-19.8 HA ASP 38 - HG3 GLU 19 far 0 54 0 - 7.6-20.0 HA ASP 38 - HG2 GLU 25 far 0 95 0 - 7.7-10.2 HA ARG 17 - HG2 GLU 25 far 0 93 0 - 8.5-15.3 HA PRO 34 - HG2 GLU 19 far 0 38 0 - 9.9-20.8 Violated in 20 structures by 1.66 A. Peak 5518 from cnoeabs.peaks (7.70, 4.12, 58.29 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.99: H MET 31 + HA ARG 27 OK 99 99 100 99 4.1-4.7 3.6/5388=88, 86/5386=78...(5) H MET 31 - HA GLU 25 far 0 54 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 5524 from cnoeabs.peaks (2.60, 4.12, 58.29 ppm; 5.61 A increased from 5.28 A): 3 out of 7 assignments used, quality = 0.95: HG2 MET 31 + HA ARG 27 OK 80 83 100 97 4.2-5.4 6118=83, 4.7/5518=59...(4) HB3 ASP 24 + HA ARG 23 OK 55 60 100 92 5.6-5.8 518/3.6=83, 5506/3.0=19...(7) HB3 ASP 24 + HA GLU 25 OK 43 44 100 98 4.4-5.6 53/2.9=82, ~52=72...(4) HB2 ASP 38 - HA GLU 25 far 0 45 0 - 6.6-10.1 HB3 ASP 38 - HA GLU 25 far 0 44 0 - 7.2-10.2 HB3 ASP 24 - HA ARG 27 far 0 89 0 - 7.5-8.0 HG2 MET 31 - HA GLU 25 far 0 40 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 5526 from cnoeabs.peaks (7.70, 4.16, 56.71 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.98: H MET 31 + HA LEU 29 OK 98 99 100 99 4.1-4.6 86/3.6=78, 5525/3.0=57...(7) H ASN 42 - HA LYS 73 far 0 74 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (2.06, 3.96, 54.22 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.97: HB3 MET 31 + HA ALA 28 OK 97 97 100 100 4.6-5.1 1.8/4176=95, 557/4193=74...(9) HB3 GLU 25 - HA ALA 28 far 0 100 0 - 7.1-7.6 HB2 GLU 25 - HA ALA 28 far 0 99 0 - 8.0-8.3 HB3 GLU 19 - HA ALA 28 far 0 81 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 5530 from cnoeabs.peaks (2.64, 3.96, 54.22 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.95: HG2 MET 31 + HA ALA 28 OK 95 95 100 100 4.0-4.7 3.0/4176=88...(10) Violated in 0 structures by 0.00 A. Peak 5531 from cnoeabs.peaks (2.06, 1.34, 17.80 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.96: HB3 GLU 25 + QB ALA 28 OK 96 97 100 100 4.0-4.9 3.0/4181=90, 4167=58...(14) HB2 GLU 25 - QB ALA 28 far 10 96 10 - 4.9-5.6 HB3 MET 31 - QB ALA 28 far 0 100 0 - 5.7-6.2 HG2 PRO 36 - QB ALA 28 far 0 63 0 - 6.6-7.7 HB3 GLU 19 - QB ALA 28 far 0 65 0 - 6.7-13.5 Violated in 0 structures by 0.00 A. Peak 5532 from cnoeabs.peaks (1.19, 1.34, 17.80 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.94: QG2 THR 37 + QB ALA 28 OK 94 95 100 99 1.8-3.3 6128=95, 5105/4181=40...(15) QG2 THR 15 - QB ALA 28 far 5 99 5 - 3.6-14.1 QG2 VAL 65 - QB ALA 28 far 0 63 0 - 5.4-5.9 Violated in 0 structures by 0.00 A. Peak 5533 from cnoeabs.peaks (2.54, 1.34, 17.80 ppm; 5.57 A increased from 5.24 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASP 24 + QB ALA 28 OK 93 97 100 95 4.6-5.7 4760/4758=69, 52/5511=59...(6) HG3 MET 31 + QB ALA 28 OK 79 83 95 100 5.2-6.4 5311/5162=68...(9) HB2 GLN 61 - QB ALA 28 far 0 87 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 5536 from cnoeabs.peaks (0.85, 1.45, 18.14 ppm; 4.64 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 29 + QB ALA 30 OK 99 99 100 100 4.7-4.8 85/553=66, 3.1/4843=59...(17) QD2 LEU 64 + QB ALA 30 OK 96 99 100 97 4.0-4.9 4192/3.6=56...(11) QD1 LEU 29 + QB ALA 30 OK 63 63 100 100 3.1-3.5 3.1/4843=59, ~4842=50...(14) Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (1.87, 1.45, 18.14 ppm; 4.18 A): 1 out of 8 assignments used, quality = 0.67: HB3 ARG 26 + QB ALA 30 OK 67 99 90 75 3.7-5.2 4194/553=43, 4.6/5519=33...(6) HB2 ARG 26 - QB ALA 30 far 10 99 10 - 3.8-5.0 HB3 PRO 14 - QB ALA 30 far 5 95 5 - 4.0-25.1 HB3 ARG 27 - QB ALA 30 far 4 83 5 - 4.5-5.0 HB2 ARG 27 - QB ALA 30 far 0 81 0 - 5.0-5.2 HB3 ARG 23 - QB ALA 30 far 0 68 0 - 8.0-9.7 HB2 ARG 23 - QB ALA 30 far 0 65 0 - 8.6-10.3 HB ILE 68 - QB ALA 30 far 0 76 0 - 9.5-10.3 Violated in 2 structures by 0.10 A. Peak 5539 from cnoeabs.peaks (8.17, 1.45, 18.14 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: H ARG 27 + QB ALA 30 OK 100 100 100 100 4.5-4.6 5519=100, 3.0/5388=99...(7) H GLU 25 - QB ALA 30 far 0 65 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 5543 from cnoeabs.peaks (1.45, 3.98, 56.13 ppm; 5.27 A): 1 out of 5 assignments used, quality = 0.96: HG12 ILE 33 + HA LYS 32 OK 96 100 100 97 4.2-4.5 574/3776=93, 5541/3.0=39 HG3 LYS 13 - HA LYS 32 far 5 99 5 - 5.4-23.9 HG2 LYS 13 - HA LYS 32 far 4 71 5 - 5.1-25.0 QB ALA 30 - HA LYS 32 far 0 100 0 - 5.8-6.0 HB3 LEU 57 - HA LYS 32 far 0 83 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (7.45, 3.89, 56.86 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 61 + HA ILE 33 OK 99 99 100 100 3.1-4.3 5762=99, 1.7/5763=91...(7) Violated in 0 structures by 0.00 A. Peak 5546 from cnoeabs.peaks (6.32, 3.89, 56.86 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.97: H PHE 35 + HA ILE 33 OK 97 97 100 100 3.6-3.6 4248/3.2=96, 4250=86...(11) Violated in 0 structures by 0.00 A. Peak 5547 from cnoeabs.peaks (6.33, 1.77, 36.30 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.90: H PHE 35 + HB ILE 33 OK 90 90 100 100 3.2-3.3 4248/2.1=90, 4250/3.0=75...(7) Violated in 0 structures by 0.00 A. Peak 5548 from cnoeabs.peaks (6.83, 0.31, 17.04 ppm; 5.71 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 61 + QG2 ILE 33 OK 100 100 100 100 4.0-5.8 5763/3.2=84, 1.7/5549=83...(15) QE TYR 55 + QG2 ILE 33 OK 35 95 45 83 5.6-6.1 5712/5102=53...(5) Violated in 0 structures by 0.00 A. Peak 5549 from cnoeabs.peaks (7.45, 0.31, 17.04 ppm; 5.72 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 61 + QG2 ILE 33 OK 100 100 100 100 4.2-5.5 4210/1682=85...(12) H LEU 52 - QG2 ILE 33 far 0 68 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 5550 from cnoeabs.peaks (7.70, 0.71, 10.76 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: H MET 31 + QD1 ILE 33 OK 100 100 100 100 3.7-4.0 556/6120=66...(11) H GLN 61 - QD1 ILE 33 far 8 76 10 - 5.2-5.8 H TYR 55 - QD1 ILE 33 far 0 92 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 5551 from cnoeabs.peaks (6.64, 0.71, 10.76 ppm; 5.77 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 35 + QD1 ILE 33 OK 95 95 100 100 5.0-5.1 4567/3.2=92, ~4583=71...(14) Violated in 0 structures by 0.00 A. 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 99 100 100 3.5-3.6 4243/2.3=96, 4242/2.3=93...(20) Violated in 0 structures by 0.00 A. Peak 5553 from cnoeabs.peaks (6.30, 2.72, 50.48 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.97: H PHE 35 + HD2 PRO 34 OK 97 97 100 100 2.8-2.9 110=97, 4248/4215=90...(12) Violated in 0 structures by 0.00 A. Peak 5554 from cnoeabs.peaks (6.31, 3.54, 50.48 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: H PHE 35 + HD3 PRO 34 OK 99 99 100 100 3.9-4.0 110/1.8=98, 109/2.3=93...(11) H PHE 35 + HD3 PRO 36 OK 44 44 100 100 4.8-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (4.31, 0.31, 17.04 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: HA PRO 34 + QG2 ILE 33 OK 100 100 100 100 4.3-4.5 3.6/4248=93, 3.6/4215=86...(7) HA ALA 16 - QG2 ILE 33 far 0 100 0 - 8.2-18.1 Violated in 0 structures by 0.00 A. Peak 5558 from cnoeabs.peaks (4.31, 2.72, 50.48 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.99: HA PRO 34 + HD2 PRO 34 OK 99 99 100 100 4.1-4.1 3.6=100 HA ALA 16 - HD2 PRO 34 far 0 100 0 - 8.6-22.7 Violated in 0 structures by 0.00 A. Peak 5560 from cnoeabs.peaks (0.84, 1.77, 36.30 ppm; 5.15 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 64 + HB ILE 33 OK 100 100 100 100 4.5-5.1 6122/3.2=87...(11) QD2 LEU 29 - HB ILE 33 far 0 100 0 - 6.1-6.5 QD1 LEU 43 - HB ILE 33 far 0 92 0 - 9.2-9.5 Violated in 0 structures by 0.00 A. Peak 5561 from cnoeabs.peaks (6.31, 1.78, 30.55 ppm; 5.44 A): 1 out of 4 assignments used, quality = 1.00: H PHE 35 + HB2 PRO 34 OK 100 100 100 100 3.8-4.4 4.0=100 H PHE 35 - HB3 LYS 32 far 0 65 0 - 7.6-7.9 H PHE 35 - HB2 LYS 32 far 0 65 0 - 7.8-8.0 H PHE 35 - HB2 ARG 54 far 0 51 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (6.30, 1.87, 30.55 ppm; 5.27 A): 1 out of 1 assignment used, quality = 0.97: H PHE 35 + HB3 PRO 34 OK 97 97 100 100 3.8-4.4 4.0=100 Violated in 0 structures by 0.00 A. Peak 5563 from cnoeabs.peaks (6.81, 4.32, 63.87 ppm; 5.90 A increased from 5.25 A): 1 out of 2 assignments used, quality = 1.00: QE TYR 55 + HA PRO 34 OK 100 100 100 100 4.7-5.6 4667/2.3=98, 4664/3.8=84...(11) HE22 GLN 61 - HA PRO 34 far 0 85 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 5564 from cnoeabs.peaks (6.32, 1.04, 26.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: H PHE 35 + HG3 PRO 34 OK 100 100 100 100 3.1-4.4 109=100, 110/2.3=94...(12) Violated in 0 structures by 0.00 A. Peak 5565 from cnoeabs.peaks (7.34, 1.04, 26.58 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 55 + HG3 PRO 34 OK 100 100 100 100 2.1-3.6 4246/1.8=85, 4666/2.3=83...(25) Violated in 0 structures by 0.00 A. Peak 5566 from cnoeabs.peaks (3.89, 1.04, 26.58 ppm; 5.15 A): 1 out of 4 assignments used, quality = 0.99: HA ILE 33 + HG3 PRO 34 OK 99 99 100 100 4.2-4.3 4217/2.3=98, 4216/2.3=98...(14) HD2 PRO 36 - HG3 PRO 34 far 0 76 0 - 7.2-8.7 HA LEU 51 - HG3 PRO 34 far 0 100 0 - 7.4-8.9 HA LEU 62 - HG3 PRO 34 far 0 60 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 5567 from cnoeabs.peaks (2.94, 1.04, 26.58 ppm; 5.29 A): 2 out of 6 assignments used, quality = 1.00: HB3 TYR 55 + HG3 PRO 34 OK 100 100 100 100 2.1-3.5 4863/1.8=87, 2.5/5565=81...(15) HB3 PHE 35 + HG3 PRO 34 OK 45 60 75 100 3.9-5.6 2.6/4243=89, 4.0/109=70...(14) HE3 LYS 13 - HG3 PRO 34 far 0 65 0 - 7.7-27.2 HE3 LYS 32 - HG3 PRO 34 far 0 92 0 - 8.3-12.6 HE2 LYS 13 - HG3 PRO 34 far 0 63 0 - 8.6-26.8 HE2 LYS 32 - HG3 PRO 34 far 0 93 0 - 8.7-12.5 Violated in 0 structures by 0.00 A. Peak 5568 from cnoeabs.peaks (2.72, 1.78, 30.55 ppm; 5.19 A): 1 out of 6 assignments used, quality = 1.00: HD2 PRO 34 + HB2 PRO 34 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 ASN 80 - HB3 ARG 82 far 0 74 0 - 5.8-10.1 HD2 PRO 34 - HB2 LYS 32 far 0 64 0 - 6.2-6.3 HD2 PRO 34 - HB3 LYS 32 far 0 64 0 - 6.4-6.7 HD2 PRO 34 - HB2 ARG 54 far 0 51 0 - 7.9-9.4 HB2 ASN 80 - HB3 ARG 84 far 0 54 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 5569 from cnoeabs.peaks (3.87, 2.85, 38.77 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: HD2 PRO 36 + HB2 PHE 35 OK 100 100 100 100 3.4-3.4 4260=100, 1.8/5570=81...(18) HA ILE 33 - HB2 PHE 35 far 0 90 0 - 7.1-7.1 HA LEU 51 - HB2 PHE 35 far 0 83 0 - 7.2-7.7 HA LEU 51 - HB3 PHE 48 far 0 44 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 5570 from cnoeabs.peaks (3.57, 2.85, 38.77 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: HD3 PRO 36 + HB2 PHE 35 OK 100 100 100 100 1.9-2.0 4874=92, 1.8/4260=78...(21) HA VAL 41 - HB3 PHE 48 far 0 52 0 - 5.6-6.1 HD3 PRO 34 - HB2 PHE 35 far 0 73 0 - 7.4-7.4 Violated in 0 structures by 0.00 A. Peak 5571 from cnoeabs.peaks (2.08, 2.85, 38.77 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: HG2 PRO 36 + HB2 PHE 35 OK 96 96 100 100 3.7-3.7 2.3/4260=96, 2.3/5570=94...(24) HG3 PRO 36 + HB2 PHE 35 OK 93 93 100 100 4.6-4.6 2.3/4260=96, 2.3/5570=94...(23) HB3 PRO 44 - HB3 PHE 48 far 0 57 0 - 6.0-6.1 HB VAL 45 - HB3 PHE 48 far 0 49 0 - 6.2-6.4 Violated in 0 structures by 0.00 A. Peak 5572 from cnoeabs.peaks (2.09, 2.91, 38.77 ppm; 5.52 A increased from 4.90 A): 2 out of 2 assignments used, quality = 1.00: HG2 PRO 36 + HB3 PHE 35 OK 99 99 100 100 5.2-5.2 2.3/4257=99, 2.3/4258=97...(25) HG3 PRO 36 + HB3 PHE 35 OK 98 98 100 100 5.7-5.7 2.3/4257=99, 2.3/4258=97...(24) Violated in 0 structures by 0.00 A. Peak 5573 from cnoeabs.peaks (2.08, 4.99, 52.48 ppm; 4.52 A increased from 4.02 A): 2 out of 3 assignments used, quality = 1.00: HG2 PRO 36 + HA PHE 35 OK 96 96 100 100 4.5-4.6 2.3/4252=96, 2.3/4251=94...(21) HG3 PRO 36 + HA PHE 35 OK 93 93 100 100 4.5-4.5 2.3/4252=96, 2.3/4251=94...(19) HB3 GLU 25 - HA PHE 35 far 0 65 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 5574 from cnoeabs.peaks (0.63, 2.85, 38.77 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 51 + HB2 PHE 35 OK 100 100 100 100 3.4-3.7 4534/2.6=86, 5353/1.8=70...(14) QD1 LEU 51 - HB3 PHE 48 far 0 61 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 5575 from cnoeabs.peaks (0.17, 2.85, 38.77 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 51 + HB2 PHE 35 OK 85 85 100 100 3.4-3.8 4568/2.6=87, 2.1/5574=74...(15) QD2 LEU 51 + HB3 PHE 48 OK 45 45 100 100 4.0-4.6 4527/2.5=64, 4470/3.0=59...(15) Violated in 0 structures by 0.00 A. Peak 5577 from cnoeabs.peaks (2.92, 3.87, 50.78 ppm; 4.16 A increased from 3.92 A): 1 out of 2 assignments used, quality = 0.98: HB3 PHE 35 + HD2 PRO 36 OK 98 98 100 100 4.0-4.1 4258=98, 1.8/4260=85...(20) HB3 TYR 55 - HD2 PRO 36 far 0 83 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 5578 from cnoeabs.peaks (6.66, 3.87, 50.78 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 35 + HD2 PRO 36 OK 96 96 100 100 4.9-4.9 4598/1.8=91, 2.6/4260=90...(15) Violated in 0 structures by 0.00 A. Peak 5579 from cnoeabs.peaks (6.66, 3.57, 50.78 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 35 + HD3 PRO 36 OK 99 99 100 100 3.8-3.8 2.6/4874=91, 2.6/4257=87...(17) QD PHE 35 + HD3 PRO 34 OK 44 44 100 100 4.7-4.7 4649/1.8=91, 4243/2.3=82...(18) Violated in 0 structures by 0.00 A. 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 100 100 100 100 5.0-5.0 4.8=100 Violated in 0 structures by 0.00 A. Peak 5581 from cnoeabs.peaks (6.31, 3.57, 50.78 ppm; 5.55 A): 2 out of 2 assignments used, quality = 1.00: H PHE 35 + HD3 PRO 36 OK 100 100 100 100 4.8-4.8 4.8=100 H PHE 35 + HD3 PRO 34 OK 45 45 100 100 3.9-4.0 110/1.8=99, 109/2.3=94...(11) Violated in 0 structures by 0.00 A. Peak 5583 from cnoeabs.peaks (4.99, 2.45, 32.41 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 35 + HB3 PRO 36 OK 100 100 100 100 4.9-4.9 4252/3.0=98, 4251/3.0=97...(16) Violated in 0 structures by 0.00 A. Peak 5584 from cnoeabs.peaks (1.79, 2.45, 32.41 ppm; 5.15 A): 1 out of 7 assignments used, quality = 0.96: HB3 LYS 39 + HB3 PRO 36 OK 96 96 100 100 4.7-5.0 4877/1.8=95, 4.0/4881=57...(16) HB2 LYS 13 - HB3 PRO 36 far 5 100 5 - 4.9-27.3 HB ILE 33 - HB3 PRO 36 far 0 68 0 - 6.9-7.0 HB2 LYS 85 - HB2 PRO 44 far 0 54 0 - 9.2-33.9 HB2 PRO 34 - HB3 PRO 36 far 0 92 0 - 9.3-10.3 HB2 LYS 73 - HB2 PRO 44 far 0 29 0 - 9.4-12.0 HB3 LYS 73 - HB2 PRO 44 far 0 44 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 5585 from cnoeabs.peaks (1.56, 2.45, 32.41 ppm; 5.71 A increased from 5.38 A): 1 out of 5 assignments used, quality = 0.76: HD3 LYS 39 + HB3 PRO 36 OK 76 76 100 100 4.8-5.7 4875/1.8=89, 4261/3.0=86...(21) HG2 LYS 39 - HB3 PRO 36 far 0 97 0 - 6.4-7.4 HD2 LYS 39 - HB3 PRO 36 far 0 73 0 - 6.5-7.5 HB3 LEU 29 - HB3 PRO 36 far 0 81 0 - 8.7-10.1 HG2 LYS 39 - HB2 PRO 44 far 0 51 0 - 9.9-11.9 Violated in 1 structures by 0.00 A. Peak 5586 from cnoeabs.peaks (1.39, 2.45, 32.41 ppm; 5.70 A): 0 out of 6 assignments used, quality = 0.00: QB ALA 20 - HB3 PRO 36 far 5 95 5 - 3.1-13.8 HG3 LYS 39 - HB3 PRO 36 far 0 93 0 - 7.2-7.5 HG2 LYS 85 - HB2 PRO 44 far 0 49 0 - 7.6-34.4 HG3 LYS 73 - HB2 PRO 44 far 0 56 0 - 8.2-10.3 HG3 ARG 69 - HB2 PRO 44 far 0 48 0 - 8.4-9.1 HG3 LYS 39 - HB2 PRO 44 far 0 48 0 - 9.6-10.2 Violated in 18 structures by 0.69 A. Peak 5588 from cnoeabs.peaks (7.61, 3.94, 64.91 ppm; 5.31 A increased from 5.00 A): 1 out of 2 assignments used, quality = 0.87: H VAL 41 + HA THR 37 OK 87 87 100 100 4.8-5.1 4905=87, 139/4271=75...(11) HD21 ASN 42 - HA THR 37 far 0 89 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 5592 from cnoeabs.peaks (7.25, 4.28, 56.69 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.97: H ILE 40 + HA ASP 38 OK 97 97 100 100 3.7-4.4 914/3.6=84, 4888/3.0=76...(8) Violated in 0 structures by 0.00 A. 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 99 99 100 100 3.0-3.6 4320=100, 2.1/4318=99...(20) QG1 VAL 65 + QD PHE 35 OK 98 98 100 100 4.0-4.4 5031=99, 4728/6096=65...(14) HG13 ILE 33 + QD PHE 35 OK 96 96 100 100 5.3-5.4 3.2/4567=94, 2.1/5551=74...(9) QG2 VAL 65 + QD PHE 35 OK 88 88 100 100 4.7-4.9 2.1/5031=92...(11) HG2 ARG 69 - QD PHE 35 far 0 93 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 5597 from cnoeabs.peaks (0.31, 3.94, 64.91 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 33 + HA THR 37 OK 100 100 100 100 4.1-4.5 4285/3.2=86...(7) Violated in 0 structures by 0.00 A. Peak 5600 from cnoeabs.peaks (3.62, 1.17, 22.48 ppm; 6.00 A increased from 5.05 A): 1 out of 3 assignments used, quality = 0.54: HA VAL 65 + QG2 THR 37 OK 54 96 85 66 5.3-7.8 4706/4284=50...(3) HA ILE 40 - QG2 THR 37 far 0 93 0 - 6.7-7.2 HA ARG 69 - QG2 THR 37 far 0 97 0 - 7.1-8.0 Violated in 3 structures by 0.24 A. Peak 5602 from cnoeabs.peaks (7.11, 1.17, 22.48 ppm; 6.50 A): 0 out of 0 assignments used, quality = 0.00: Peak 5603 from cnoeabs.peaks (7.39, 3.94, 64.91 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: H LYS 39 + HA THR 37 OK 100 100 100 100 4.0-4.4 5605=98, 913/3.6=91...(5) H LEU 64 - HA THR 37 far 0 63 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 5608 from cnoeabs.peaks (6.66, 3.63, 64.52 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 35 + HA ILE 40 OK 98 98 100 100 4.7-5.0 2.2/5121=92, 4657/3.0=85...(11) Violated in 0 structures by 0.00 A. Peak 5610 from cnoeabs.peaks (7.52, 3.63, 64.52 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: H LEU 43 + HA ILE 40 OK 100 100 100 100 3.9-4.3 4372=100, 5631/3.6=76...(6) H LEU 51 - HA ILE 40 far 0 97 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 5612 from cnoeabs.peaks (7.15, 2.12, 38.15 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + HB ILE 40 OK 100 100 100 100 4.4-5.0 4612/2.1=95, 5120/3.0=82...(19) Violated in 0 structures by 0.00 A. Peak 5613 from cnoeabs.peaks (7.05, 2.12, 38.15 ppm; 5.39 A increased from 5.07 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 48 + HB ILE 40 OK 95 95 100 100 4.9-5.3 5128/2.1=92, 2.2/5612=84...(18) Violated in 0 structures by 0.00 A. Peak 5614 from cnoeabs.peaks (6.95, 2.12, 38.15 ppm; 5.47 A): 1 out of 4 assignments used, quality = 1.00: QE PHE 35 + HB ILE 40 OK 100 100 100 100 4.7-4.8 4573/2.9=89, 5121/3.0=80...(22) HZ PHE 48 - HB ILE 40 far 0 100 0 - 6.3-6.8 HZ PHE 35 - HB ILE 40 far 0 100 0 - 6.9-7.0 HD22 ASN 42 - HB ILE 40 far 0 98 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 5615 from cnoeabs.peaks (6.65, 2.12, 38.15 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB ILE 40 OK 100 100 100 100 5.1-5.2 4562/2.9=96, 4318/3.2=85...(19) Violated in 0 structures by 0.00 A. Peak 5616 from cnoeabs.peaks (8.42, 0.93, 18.82 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.93: H ILE 68 + QG2 ILE 40 OK 93 93 100 100 3.9-4.5 4.0/4298=75, 939/292=73...(9) Violated in 0 structures by 0.00 A. Peak 5617 from cnoeabs.peaks (7.14, 1.90, 28.19 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 48 + HG12 ILE 40 OK 97 97 100 100 4.4-5.1 4323/3.2=86, 4611/2.1=85...(17) Violated in 1 structures by 0.00 A. Peak 5618 from cnoeabs.peaks (7.06, 1.90, 28.19 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 48 + HG12 ILE 40 OK 98 98 100 100 4.7-5.2 5619/2.1=86, 2.2/5617=85...(15) Violated in 0 structures by 0.00 A. Peak 5619 from cnoeabs.peaks (7.06, 1.03, 14.27 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 48 + QD1 ILE 40 OK 98 98 100 100 4.8-5.1 2.2/4611=86...(18) Violated in 0 structures by 0.00 A. Peak 5620 from cnoeabs.peaks (7.14, 1.23, 28.19 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 48 + HG13 ILE 40 OK 97 97 100 100 2.8-3.6 4323/3.2=87, 4611/2.1=85...(18) Violated in 0 structures by 0.00 A. Peak 5621 from cnoeabs.peaks (7.62, 1.23, 28.19 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: H VAL 41 + HG13 ILE 40 OK 100 100 100 100 5.0-5.1 142=100, 139/2.9=98...(10) HD21 ASN 42 - HG13 ILE 40 far 0 100 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 5622 from cnoeabs.peaks (8.42, 1.03, 14.27 ppm; 5.75 A): 1 out of 3 assignments used, quality = 0.93: H ILE 68 + QD1 ILE 40 OK 93 93 100 100 4.2-4.6 4.0/5249=91, 757/5247=88...(9) H GLY 18 - QD1 ILE 40 far 0 83 0 - 7.6-17.5 H ALA 20 - QD1 ILE 40 far 0 60 0 - 8.8-16.5 Violated in 0 structures by 0.00 A. Peak 5625 from cnoeabs.peaks (4.18, 0.94, 22.13 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 73 + QG2 VAL 41 OK 100 100 100 100 3.8-4.8 5403/2.1=93, 3.0/5263=79...(14) Violated in 0 structures by 0.00 A. Peak 5626 from cnoeabs.peaks (4.17, 0.80, 21.38 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 73 + QG1 VAL 41 OK 100 100 100 100 2.1-3.1 5403=95, 3.0/5264=65...(17) HA GLN 79 - QG1 VAL 41 far 0 71 0 - 8.4-12.4 Violated in 0 structures by 0.00 A. Peak 5627 from cnoeabs.peaks (7.23, 1.93, 32.20 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.98: H ILE 40 + HB VAL 41 OK 98 99 100 100 4.8-5.3 915/610=93, 4330/2.1=68...(4) Violated in 1 structures by 0.00 A. Peak 5628 from cnoeabs.peaks (6.94, 1.93, 32.20 ppm; 5.41 A): 1 out of 3 assignments used, quality = 1.00: HD22 ASN 42 + HB VAL 41 OK 100 100 100 100 3.3-3.9 4367/2.1=95, 1.7/4906=94...(11) QE PHE 35 - HB VAL 41 far 0 99 0 - 9.1-9.4 HZ PHE 48 - HB VAL 41 far 0 97 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 5629 from cnoeabs.peaks (7.97, 3.58, 65.23 ppm; 5.34 A): 2 out of 5 assignments used, quality = 0.83: H LYS 73 + HA VAL 41 OK 75 76 100 99 4.3-5.6 5264/3.2=63, 5263/3.2=61...(8) H GLY 72 + HA VAL 41 OK 31 89 35 100 5.4-6.4 5055/3.2=76, ~4335=49...(15) H ARG 69 - HA VAL 41 far 15 98 15 - 5.4-6.2 H ARG 70 - HA VAL 41 far 0 81 0 - 6.1-6.7 H VAL 76 - HA VAL 41 far 0 93 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 5630 from cnoeabs.peaks (7.52, 3.58, 65.23 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.99: H LEU 43 + HA VAL 41 OK 99 100 100 100 3.6-5.0 149/3.6=95, 5631/3.0=92 HD21 ASN 80 - HA VAL 41 far 0 60 0 - 7.0-13.6 Violated in 0 structures by 0.00 A. Peak 5634 from cnoeabs.peaks (4.49, 2.76, 39.67 ppm; 5.02 A): 0 out of 0 assignments used, quality = 0.00: Peak 5637 from cnoeabs.peaks (8.77, 0.83, 26.57 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: H PHE 48 + QD1 LEU 43 OK 100 100 100 100 3.9-4.2 3.0/5295=91, 4460/2.1=88...(18) H ASP 46 - QD1 LEU 43 far 0 100 0 - 7.0-7.1 Violated in 0 structures by 0.00 A. Peak 5638 from cnoeabs.peaks (8.77, 0.94, 22.80 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.99: H PHE 48 + QD2 LEU 43 OK 99 99 100 100 4.1-4.4 4460=99, 4461/2.1=86...(18) H ASP 46 - QD2 LEU 43 far 0 100 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 5639 from cnoeabs.peaks (7.08, 1.44, 42.41 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 48 + HB3 LEU 43 OK 97 97 100 100 4.4-4.6 4370/3.1=85, 2.5/4476=83...(14) Violated in 0 structures by 0.00 A. Peak 5641 from cnoeabs.peaks (0.19, 1.99, 26.77 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HG LEU 43 OK 100 100 100 100 3.5-4.7 4520/2.1=98, 4916/2.1=75...(7) Violated in 0 structures by 0.00 A. Peak 5642 from cnoeabs.peaks (0.95, 2.14, 27.95 ppm; 5.18 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + HG3 PRO 44 OK 100 100 100 100 4.0-4.5 4387/2.3=99, 4388/2.3=99...(12) QG2 VAL 76 - HG3 PRO 44 far 0 68 0 - 9.2-15.2 QG2 ILE 40 - HG3 PRO 44 far 0 89 0 - 9.4-9.8 QG1 VAL 76 - HG3 PRO 44 far 0 68 0 - 9.7-15.7 Violated in 0 structures by 0.00 A. Peak 5643 from cnoeabs.peaks (0.96, 2.05, 27.95 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 43 + HG2 PRO 44 OK 95 95 100 100 3.7-4.3 4387/2.3=95, 4388/2.3=95...(14) QG1 VAL 45 + HG2 PRO 44 OK 59 63 100 94 4.8-5.1 5215/2.3=63, 5654/3.8=45...(6) QG2 ILE 40 - HG2 PRO 44 far 0 63 0 - 8.4-8.9 QG2 VAL 41 - HG2 PRO 44 far 0 76 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 5644 from cnoeabs.peaks (2.66, 3.67, 50.94 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.99: HB2 ASP 47 + HD3 PRO 44 OK 99 99 100 100 2.1-3.3 4435=99, 1.8/4397=82...(17) HB3 ASN 49 - HD3 PRO 44 far 0 85 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 5645 from cnoeabs.peaks (2.65, 4.04, 50.94 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.97: HB2 ASP 47 + HD2 PRO 44 OK 97 97 100 100 3.6-4.9 5644/1.8=89, 1.8/4396=84...(15) Violated in 0 structures by 0.00 A. Peak 5646 from cnoeabs.peaks (7.53, 4.04, 50.94 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.98: H LEU 43 + HD2 PRO 44 OK 98 98 100 100 4.9-5.0 4.8=100 H LEU 51 - HD2 PRO 44 far 0 100 0 - 8.8-9.3 HD21 ASN 80 - HD2 PRO 44 far 0 90 0 - 9.9-16.4 Violated in 0 structures by 0.00 A. Peak 5647 from cnoeabs.peaks (7.51, 3.67, 50.94 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.97: H LEU 43 + HD3 PRO 44 OK 97 97 100 100 4.8-4.8 4.8=100 H LEU 51 - HD3 PRO 44 far 0 78 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 5648 from cnoeabs.peaks (4.53, 2.14, 27.95 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 43 + HG3 PRO 44 OK 100 100 100 100 4.4-4.4 4374/2.3=96, 4373/2.3=94...(7) HA LYS 13 - HG3 PRO 44 far 0 97 0 - 9.1-43.4 Violated in 0 structures by 0.00 A. Peak 5649 from cnoeabs.peaks (4.53, 2.05, 27.95 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 43 + HG2 PRO 44 OK 99 99 100 100 4.3-4.4 4374/2.3=96, 4373/2.3=94...(8) Violated in 0 structures by 0.00 A. Peak 5650 from cnoeabs.peaks (4.57, 1.07, 22.09 ppm; 5.66 A increased from 4.76 A): 1 out of 1 assignment used, quality = 1.00: HA PRO 44 + QG2 VAL 45 OK 100 100 100 100 5.4-5.4 155/629=92, 5654/2.1=91...(5) Violated in 0 structures by 0.00 A. Peak 5652 from cnoeabs.peaks (7.15, 1.07, 22.09 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + QG2 VAL 45 OK 100 100 100 100 4.5-4.8 2.2/4421=91, 4.4/4409=55...(6) Violated in 0 structures by 0.00 A. Peak 5653 from cnoeabs.peaks (7.27, 1.07, 22.09 ppm; 6.12 A increased from 5.76 A): 1 out of 1 assignment used, quality = 1.00: H ASP 47 + QG2 VAL 45 OK 100 100 100 100 5.8-5.9 919/165=96, 4424/2.1=92...(9) Violated in 0 structures by 0.00 A. Peak 5654 from cnoeabs.peaks (4.57, 0.99, 19.47 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.98: HA PRO 44 + QG1 VAL 45 OK 98 99 100 100 4.4-4.6 155/630=83, 4415/2.1=71...(6) Violated in 0 structures by 0.00 A. Peak 5656 from cnoeabs.peaks (7.07, 0.99, 19.47 ppm; 5.66 A increased from 5.32 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 48 + QG1 VAL 45 OK 99 99 100 100 5.2-5.4 4421/2.1=95, 4418/3.2=76...(13) Violated in 0 structures by 0.00 A. Peak 5659 from cnoeabs.peaks (8.65, 4.39, 56.46 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: H ASN 49 + HA ASP 47 OK 100 100 100 100 4.2-4.6 175/3.6=81, 922/4506=78...(5) H VAL 45 - HA ASP 47 far 0 68 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 5661 from cnoeabs.peaks (4.50, 2.67, 40.94 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.57: HA LEU 43 + HB2 ASP 47 OK 57 57 100 100 4.2-5.0 3.0/4442=74, 4.1/4907=73...(10) HA ASP 46 - HB2 ASP 47 far 0 98 0 - 5.6-6.6 Violated in 1 structures by 0.00 A. Peak 5662 from cnoeabs.peaks (0.82, 4.39, 56.46 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 43 + HA ASP 47 OK 99 99 100 100 4.5-4.9 4449/3.0=82, 2.1/4450=80...(18) QG2 ILE 89 - HA ASP 47 far 0 85 0 - 8.5-40.2 QD1 ILE 89 - HA ASP 47 far 0 96 0 - 9.3-41.3 Violated in 0 structures by 0.00 A. Peak 5665 from cnoeabs.peaks (3.68, 4.03, 60.97 ppm; 5.55 A increased from 5.22 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 44 + HA PHE 48 OK 99 99 100 100 5.3-5.5 4405/4468=71...(10) HA VAL 45 + HA PHE 48 OK 90 90 100 100 5.4-5.7 4407/3.0=85, 4406/3.0=83...(9) Violated in 0 structures by 0.00 A. Peak 5673 from cnoeabs.peaks (7.25, 2.04, 29.07 ppm; 5.78 A): 3 out of 8 assignments used, quality = 0.98: H ASP 47 + HB2 GLU 50 OK 83 83 100 100 5.1-5.7 3.0/4439=99, 6130/654=67...(7) H ALA 53 + HB3 GLU 50 OK 63 63 100 100 4.8-5.1 2.9/5699=90, 4943/4.7=69...(9) H ALA 53 + HB2 GLU 50 OK 63 63 100 100 5.4-5.8 ~5699=70, 4943/4.7=69...(9) HE ARG 54 - HB3 GLU 50 lone 1 89 50 2 3.0-7.5 HE ARG 54 - HB2 GLU 50 lone 1 89 40 2 3.8-8.6 H ASP 47 - HB3 GLU 50 far 0 83 0 - 6.8-7.4 H ILE 40 - HB3 GLU 25 far 0 73 0 - 9.6-12.8 H ILE 40 - HB2 GLU 25 far 0 75 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 5674 from cnoeabs.peaks (7.22, 3.89, 57.93 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: H ALA 53 + HA LEU 51 OK 100 100 100 100 4.1-4.4 200/3.6=89, 926/4567=81...(11) H ILE 40 - HA LEU 51 far 0 85 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 5675 from cnoeabs.peaks (7.21, 1.32, 41.26 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.60: H ALA 53 + HB2 LEU 52 OK 60 60 100 100 3.6-3.8 4.6=100 H ALA 53 - HB2 LEU 51 far 0 100 0 - 5.7-5.9 H ILE 40 - HB2 LEU 51 far 0 63 0 - 7.4-8.0 Violated in 0 structures by 0.00 A. Peak 5676 from cnoeabs.peaks (7.71, 1.32, 41.26 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.96: H GLU 50 + HB2 LEU 51 OK 96 96 100 100 4.5-4.9 923/659=89, 5670/1.8=84...(7) H TYR 55 - HB2 LEU 52 far 2 36 5 - 5.2-5.9 H TYR 55 - HB2 LEU 51 far 0 71 0 - 6.3-6.9 H GLU 50 - HB2 LEU 52 far 0 54 0 - 7.0-7.4 H ASN 42 - HB2 LEU 51 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 5677 from cnoeabs.peaks (7.71, 1.60, 41.26 ppm; 5.33 A): 1 out of 3 assignments used, quality = 0.97: H GLU 50 + HB3 LEU 51 OK 97 97 100 100 4.4-4.7 5670=97, 923/660=93...(7) H TYR 55 - HB3 LEU 51 far 0 68 0 - 5.9-6.4 H ASN 42 - HB3 LEU 51 far 0 100 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 5679 from cnoeabs.peaks (2.04, 3.89, 57.93 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 50 + HA LEU 51 OK 100 100 100 100 4.1-5.1 3.9/4944=55, ~190=51...(15) HB2 GLU 50 + HA LEU 51 OK 85 100 85 100 4.3-5.5 190/3.0=68, 653/4944=65...(15) HG2 PRO 44 - HA LEU 51 far 0 99 0 - 9.2-9.5 HD2 ARG 69 - HA LEU 51 far 0 97 0 - 9.6-12.9 HD3 ARG 69 - HA LEU 51 far 0 97 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 5680 from cnoeabs.peaks (3.63, 0.19, 24.73 ppm; 5.37 A): 2 out of 3 assignments used, quality = 0.98: HA ILE 40 + QD2 LEU 51 OK 97 97 100 100 2.8-3.5 4296/4917=70...(12) HA VAL 65 + QD2 LEU 51 OK 38 99 40 98 5.3-6.2 3.2/6104=64...(8) HA ARG 69 - QD2 LEU 51 far 0 99 0 - 6.6-7.7 Violated in 0 structures by 0.00 A. Peak 5682 from cnoeabs.peaks (5.00, 0.62, 23.89 ppm; 5.44 A increased from 4.83 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 35 + QD1 LEU 51 OK 100 100 100 100 5.0-5.2 3.7/4534=84, 3.0/5574=79...(10) Violated in 0 structures by 0.00 A. Peak 5684 from cnoeabs.peaks (7.43, 0.89, 26.17 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.99: H LEU 52 + HG LEU 51 OK 99 99 100 100 3.5-4.1 197=99, 196/3.0=87...(9) HE21 GLN 61 - HG LEU 51 far 0 81 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 5685 from cnoeabs.peaks (7.34, 0.19, 24.73 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 55 + QD2 LEU 51 OK 100 100 100 100 4.0-4.8 4665=100, 4637/2.1=94...(21) Violated in 0 structures by 0.00 A. Peak 5686 from cnoeabs.peaks (7.06, 0.62, 23.89 ppm; 5.52 A increased from 5.19 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 48 + QD1 LEU 51 OK 100 100 100 100 5.1-5.4 4527/2.1=94, 3.7/4522=73...(11) Violated in 0 structures by 0.00 A. Peak 5690 from cnoeabs.peaks (7.54, 1.20, 26.33 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: H LEU 51 + HG LEU 52 OK 99 100 100 99 4.2-4.7 193/668=94, 4495/4485=62...(5) H ARG 54 - HG LEU 52 far 0 100 0 - 5.6-6.3 H LEU 43 - HG LEU 52 far 0 93 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 5691 from cnoeabs.peaks (7.53, 1.47, 40.92 ppm; 5.60 A): 2 out of 2 assignments used, quality = 1.00: H LEU 51 + HB3 LEU 52 OK 100 100 100 100 4.9-5.1 193/667=97, 5690/3.0=75...(4) H ARG 54 + HB3 LEU 52 OK 100 100 100 100 4.7-5.1 926/203=97, 4966/3.0=87 Violated in 0 structures by 0.00 A. Peak 5692 from cnoeabs.peaks (6.93, 1.20, 26.33 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.99: HZ PHE 48 + HG LEU 52 OK 95 95 100 100 4.4-4.7 4595/2.1=96, ~4538=74...(7) HZ PHE 35 + HG LEU 52 OK 79 97 85 96 5.2-5.7 ~4581=72, 4591/4552=56...(5) QE PHE 35 - HG LEU 52 far 5 97 5 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 5694 from cnoeabs.peaks (4.00, 0.44, 24.59 ppm; 5.40 A): 2 out of 4 assignments used, quality = 0.90: HA ARG 66 + QD1 LEU 52 OK 71 71 100 100 4.1-4.9 5695/2.1=87...(8) HA PHE 48 + QD1 LEU 52 OK 65 65 100 99 5.2-5.6 3.7/4959=78, 3.6/5668=62...(6) HA ARG 54 - QD1 LEU 52 far 0 99 0 - 8.4-8.7 HA ARG 70 - QD1 LEU 52 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 5695 from cnoeabs.peaks (4.00, 0.51, 22.90 ppm; 4.91 A): 1 out of 3 assignments used, quality = 0.78: HA ARG 66 + QD2 LEU 52 OK 78 81 100 96 4.2-4.9 4604/4540=60...(6) HA ARG 54 - QD2 LEU 52 far 0 97 0 - 7.7-7.9 HA ARG 70 - QD2 LEU 52 far 0 100 0 - 9.6-10.5 Violated in 1 structures by 0.00 A. Peak 5699 from cnoeabs.peaks (2.04, 1.39, 18.28 ppm; 4.55 A increased from 4.04 A): 1 out of 6 assignments used, quality = 0.99: HB3 GLU 50 + QB ALA 53 OK 99 100 100 99 4.0-4.4 3.0/4962=85, 5698/673=55...(7) HB2 GLU 50 - QB ALA 53 far 0 100 0 - 5.0-5.3 HB VAL 76 - QB ALA 78 far 0 57 0 - 5.5-6.9 HB3 PRO 56 - QB ALA 53 far 0 99 0 - 6.1-8.0 HG2 PRO 56 - QB ALA 53 far 0 100 0 - 7.9-9.3 HG2 ARG 66 - QB ALA 53 far 0 63 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 5702 from cnoeabs.peaks (7.41, 4.16, 52.94 ppm; 5.52 A increased from 5.20 A): 1 out of 1 assignment used, quality = 0.76: H LEU 52 + HA ALA 53 OK 76 83 100 92 5.2-5.4 200/3.0=82, 3.9/4543=43 Violated in 0 structures by 0.00 A. Peak 5705 from cnoeabs.peaks (7.69, 1.31, 27.15 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: H TYR 55 + HG2 ARG 54 OK 100 100 100 100 4.8-4.9 4.8=100 Violated in 0 structures by 0.00 A. Peak 5706 from cnoeabs.peaks (7.68, 1.58, 27.15 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.99: H TYR 55 + HG3 ARG 54 OK 99 99 100 100 4.5-5.1 4.8=100 H GLN 61 - HG LEU 62 far 0 90 0 - 5.6-6.6 H TYR 55 - HG LEU 62 far 0 88 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 5707 from cnoeabs.peaks (6.65, 1.76, 30.94 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.51: QD PHE 35 + HB2 PRO 34 OK 51 51 100 100 3.4-4.7 4243/2.3=86, 4649/3.0=78...(20) QD PHE 35 - HB2 ARG 54 far 5 100 5 - 5.2-6.5 QD PHE 35 - HB3 ARG 17 far 0 49 0 - 8.3-17.3 Violated in 0 structures by 0.00 A. Peak 5708 from cnoeabs.peaks (0.20, 3.03, 43.51 ppm; 6.50 A increased from 5.59 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 51 + HD2 ARG 54 OK 97 99 100 98 5.3-6.8 4.0/4571=56, 2.1/4573=51...(8) QD2 LEU 51 + HD3 ARG 54 OK 83 99 85 99 5.0-7.8 4648/4565=53...(8) Violated in 0 structures by 0.00 A. Peak 5710 from cnoeabs.peaks (6.81, 6.81, 117.91 ppm; diagonal): 2 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 1 assignment used, quality = 0.94: * QD TYR 55 + QE TYR 55 OK 94 94 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5712 from cnoeabs.peaks (6.65, 6.81, 117.91 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QE TYR 55 OK 100 100 100 100 3.1-3.7 4601/2.2=84...(17) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.4 4.4=100 HE22 GLN 61 - HB2 TYR 55 far 0 97 0 - 6.3-8.1 Violated in 0 structures by 0.00 A. Peak 5715 from cnoeabs.peaks (6.65, 2.80, 40.22 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB2 TYR 55 OK 100 100 100 100 3.7-3.9 4601/2.5=97, 2.2/4572=93...(13) Violated in 0 structures by 0.00 A. Peak 5716 from cnoeabs.peaks (6.65, 2.94, 40.22 ppm; 4.83 A increased from 4.29 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB3 TYR 55 OK 100 100 100 100 3.8-4.6 4601/2.5=91, 5715/1.8=67...(15) Violated in 0 structures by 0.00 A. Peak 5717 from cnoeabs.peaks (6.55, 2.94, 40.22 ppm; 4.72 A): 0 out of 0 assignments used, quality = 0.00: Peak 5718 from cnoeabs.peaks (3.02, 6.81, 117.91 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.97: HD3 ARG 54 + QE TYR 55 OK 89 94 95 100 2.9-5.0 3.6/4644=63, 4565=60...(15) HD2 ARG 54 + QE TYR 55 OK 52 95 55 100 2.9-5.0 3.6/4644=63, 1.8/4565=49...(15) HB2 TYR 81 + QE TYR 81 OK 45 45 100 98 4.4-4.5 4.4=94, ~4674=47...(5) Violated in 0 structures by 0.00 A. Peak 5719 from cnoeabs.peaks (3.89, 6.81, 117.91 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: HA LEU 51 + QE TYR 55 OK 100 100 100 100 3.7-4.1 2245/4533=91...(13) HD2 PRO 36 - QE TYR 55 far 0 82 0 - 6.6-7.1 HA ILE 33 - QE TYR 55 far 0 100 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 5720 from cnoeabs.peaks (4.88, 6.81, 117.91 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.80: HA TYR 55 + QE TYR 55 OK 80 80 100 100 4.7-4.8 4555/2.2=79, 5.6=70...(6) Violated in 0 structures by 0.00 A. Peak 5721 from cnoeabs.peaks (2.93, 6.81, 117.91 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 55 + QE TYR 55 OK 99 99 100 100 4.4-4.4 4.4=100 HB3 PHE 35 + QE TYR 55 OK 75 75 100 100 3.4-4.1 2.6/5712=80, ~4601=59...(8) HE3 LYS 73 - QE TYR 81 far 0 43 0 - 7.0-16.5 HE2 LYS 73 - QE TYR 81 far 0 41 0 - 8.4-17.3 Violated in 0 structures by 0.00 A. Peak 5722 from cnoeabs.peaks (2.80, 6.81, 117.91 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: HB2 TYR 55 + QE TYR 55 OK 100 100 100 100 4.4-4.4 4.4=100 HB3 ASN 74 - QE TYR 81 far 2 37 5 - 4.7-13.9 HB2 ASN 74 - QE TYR 81 far 0 55 0 - 6.1-14.3 Violated in 0 structures by 0.00 A. Peak 5723 from cnoeabs.peaks (1.77, 6.81, 117.91 ppm; 4.18 A): 3 out of 13 assignments used, quality = 1.00: HB2 ARG 54 + QE TYR 55 OK 99 99 100 100 3.1-3.6 1.8/4644=85, ~4634=54...(19) HB2 PRO 34 + QE TYR 55 OK 82 97 85 100 2.2-4.5 1.8/4667=68, 2.3/4664=63...(16) HG2 PRO 34 + QE TYR 55 OK 24 97 25 100 3.6-4.9 1.8/4664=70, 2.3/4667=62...(17) HB3 ARG 82 - QE TYR 81 poor 14 57 25 - 2.6-6.8 HB2 LYS 83 - QE TYR 81 far 0 51 0 - 5.0-11.5 HB2 LYS 13 - QE TYR 55 far 0 82 0 - 7.0-26.5 HB3 LYS 39 - QE TYR 55 far 0 94 0 - 7.0-8.5 HB3 LYS 73 - QE TYR 81 far 0 55 0 - 7.2-14.6 HB ILE 33 - QE TYR 55 far 0 100 0 - 8.1-8.7 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 8.5-9.0 HB3 LYS 75 - QE TYR 81 far 0 44 0 - 9.0-14.2 HB3 ARG 17 - QE TYR 55 far 0 67 0 - 9.7-19.9 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 5724 from cnoeabs.peaks (1.56, 6.81, 117.91 ppm; 4.62 A): 1 out of 9 assignments used, quality = 0.89: HB3 ARG 54 + QE TYR 55 OK 89 89 100 100 2.8-3.2 4634/2.2=70, 4970=59...(19) HG3 ARG 54 - QE TYR 55 far 5 95 5 - 4.8-5.4 HD2 LYS 39 - QE TYR 55 far 4 84 5 - 4.8-8.2 HG3 ARG 84 - QE TYR 81 far 3 28 10 - 3.4-13.4 HG2 ARG 84 - QE TYR 81 far 1 28 5 - 4.6-12.8 HG2 LYS 39 - QE TYR 55 far 0 89 0 - 5.5-7.2 HD3 LYS 39 - QE TYR 55 far 0 86 0 - 5.6-7.8 HB3 LEU 86 - QE TYR 81 far 0 58 0 - 7.9-18.2 HG LEU 62 - QE TYR 55 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 5725 from cnoeabs.peaks (1.30, 6.81, 117.91 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: HG2 ARG 54 + QE TYR 55 OK 100 100 100 100 4.7-5.3 3.0/4644=87, 4969=83...(18) HB2 LEU 51 + QE TYR 55 OK 89 89 100 100 4.7-5.2 3.1/4647=90, 3.0/4638=80...(14) QB ALA 12 - QE TYR 55 far 0 65 0 - 7.2-26.7 Violated in 0 structures by 0.00 A. Peak 5726 from cnoeabs.peaks (0.90, 6.81, 117.91 ppm; 4.91 A): 1 out of 9 assignments used, quality = 0.96: HG LEU 51 + QE TYR 55 OK 96 96 100 100 3.8-4.3 2.1/4647=98, 4655/2.2=83...(13) QD1 LEU 86 - QE TYR 81 far 2 48 5 - 4.1-15.8 QG1 VAL 76 - QE TYR 81 far 0 44 0 - 7.3-10.9 QG2 VAL 76 - QE TYR 81 far 0 44 0 - 7.4-10.0 QG2 VAL 90 - QE TYR 81 far 0 57 0 - 8.1-24.0 QG2 ILE 40 - QE TYR 55 far 0 65 0 - 8.3-8.8 QD1 LEU 62 - QE TYR 55 far 0 59 0 - 8.3-9.2 QD2 LEU 62 - QE TYR 55 far 0 65 0 - 8.8-9.5 QG1 VAL 90 - QE TYR 81 far 0 57 0 - 9.0-25.0 Violated in 0 structures by 0.00 A. Peak 5727 from cnoeabs.peaks (0.63, 6.81, 117.91 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 51 + QE TYR 55 OK 100 100 100 100 1.9-2.1 4533=99, 4531/2.2=51...(18) Violated in 0 structures by 0.00 A. Peak 5728 from cnoeabs.peaks (0.18, 6.81, 117.91 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 51 + QE TYR 55 OK 91 91 100 100 4.3-4.4 2.1/4647=95, 2.1/4646=79...(17) Violated in 0 structures by 0.00 A. Peak 5735 from cnoeabs.peaks (8.15, 3.70, 50.06 ppm; 5.51 A): 2 out of 2 assignments used, quality = 1.00: H LEU 57 + HD2 PRO 56 OK 100 100 100 100 4.9-5.0 218/3.6=97, 5744/4595=61...(6) H LEU 57 + HD3 PRO 56 OK 100 100 100 100 5.1-5.2 218/3.6=97, 5745/4.8=58...(6) Violated in 0 structures by 0.00 A. 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 97 100 100 4.7-5.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 5738 from cnoeabs.peaks (8.83, 0.71, 23.03 ppm; 5.62 A): 1 out of 2 assignments used, quality = 1.00: H LEU 62 + QD2 LEU 57 OK 100 100 100 100 4.5-4.9 4673=100, 5235/3.1=93...(15) H THR 37 - QD2 LEU 57 far 0 93 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 5739 from cnoeabs.peaks (8.82, 1.00, 27.02 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: H LEU 62 + QD1 LEU 57 OK 100 100 100 100 3.9-4.2 3.0/6069=94, 5235/3.1=92...(10) H THR 37 - QD1 LEU 57 far 0 97 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 5740 from cnoeabs.peaks (9.04, 1.00, 27.02 ppm; 5.99 A): 1 out of 1 assignment used, quality = 0.93: H THR 58 + QD1 LEU 57 OK 93 93 100 100 4.6-5.3 4.8=100 Violated in 0 structures by 0.00 A. Peak 5741 from cnoeabs.peaks (7.69, 0.71, 23.03 ppm; 5.41 A): 2 out of 3 assignments used, quality = 1.00: H GLN 61 + QD2 LEU 57 OK 99 99 100 100 5.0-5.4 4.0/4985=77, 711/4602=77...(12) H TYR 55 + QD2 LEU 57 OK 95 100 95 100 4.9-5.8 5730/2.1=89, 5733/2.1=85...(7) H MET 31 - QD2 LEU 57 far 0 85 0 - 7.2-7.8 Violated in 0 structures by 0.00 A. Peak 5742 from cnoeabs.peaks (6.65, 0.71, 23.03 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD2 LEU 57 OK 100 100 100 100 4.1-4.4 4565=99, 2.2/4579=98...(21) Violated in 0 structures by 0.00 A. Peak 5748 from cnoeabs.peaks (2.79, 1.00, 27.02 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 55 + QD1 LEU 57 OK 99 99 100 100 2.8-3.3 4586=97, 4584/2.1=88...(16) Violated in 0 structures by 0.00 A. Peak 5749 from cnoeabs.peaks (2.53, 1.00, 27.02 ppm; 5.61 A): 1 out of 2 assignments used, quality = 1.00: HB2 GLN 61 + QD1 LEU 57 OK 100 100 100 100 3.5-4.6 5771=98, 4602/2.1=91...(17) HG3 MET 31 - QD1 LEU 57 far 0 99 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 5750 from cnoeabs.peaks (1.33, 0.71, 23.03 ppm; 5.18 A increased from 4.88 A): 1 out of 7 assignments used, quality = 0.88: QG2 THR 58 + QD2 LEU 57 OK 88 90 100 97 4.8-5.3 2478/230=77...(7) HB2 LEU 52 - QD2 LEU 57 far 0 99 0 - 5.9-6.7 QB ALA 28 - QD2 LEU 57 far 0 97 0 - 6.4-6.9 HG3 LYS 32 - QD2 LEU 57 far 0 100 0 - 6.7-7.8 HB2 LEU 51 - QD2 LEU 57 far 0 99 0 - 8.0-8.4 HG2 ARG 54 - QD2 LEU 57 far 0 78 0 - 8.7-9.7 QB ALA 12 - QD2 LEU 57 far 0 100 0 - 9.7-21.1 Violated in 2 structures by 0.01 A. Peak 5751 from cnoeabs.peaks (0.50, 0.71, 23.03 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 52 + QD2 LEU 57 OK 95 95 100 100 4.3-4.7 4613/2.1=96...(15) Violated in 0 structures by 0.00 A. Peak 5755 from cnoeabs.peaks (7.45, 1.31, 21.61 ppm; 5.69 A increased from 5.36 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 61 + QG2 THR 58 OK 99 100 100 100 5.0-5.7 3.5/5230=83, 4.6/4627=66...(7) Violated in 1 structures by 0.00 A. Peak 5756 from cnoeabs.peaks (1.49, 3.84, 62.16 ppm; 5.33 A increased from 5.02 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 63 + HB3 SER 60 OK 100 100 100 100 4.8-5.4 4995/3.0=96, 4688=89...(6) QB ALA 63 + HB2 SER 60 OK 100 100 100 100 5.0-5.6 4995/3.0=96, 4688/1.8=87...(6) HB3 LEU 57 - HB2 SER 60 far 0 89 0 - 6.7-8.0 HB3 LEU 57 - HB3 SER 60 far 0 89 0 - 6.8-8.3 Violated in 0 structures by 0.00 A. Peak 5757 from cnoeabs.peaks (9.06, 3.96, 59.26 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.94: H THR 58 + HA GLN 61 OK 94 99 95 100 5.0-5.6 4625/3.0=91, 5754=89...(10) Violated in 2 structures by 0.02 A. Peak 5758 from cnoeabs.peaks (8.37, 3.96, 59.26 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.96: H VAL 65 + HA GLN 61 OK 96 97 100 100 4.2-5.0 264/4687=78, 266/4695=74...(9) Violated in 0 structures by 0.00 A. Peak 5761 from cnoeabs.peaks (7.45, 1.66, 30.35 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.99: HE21 GLN 61 + HB3 GLN 61 OK 99 99 100 100 2.1-4.1 4.6=100 H LEU 52 - HB3 GLN 61 far 0 78 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 5765 from cnoeabs.peaks (2.02, 2.53, 30.35 ppm; 4.94 A): 0 out of 3 assignments used, quality = 0.00: HG2 PRO 56 - HB2 GLN 61 far 0 92 0 - 8.0-9.0 HG2 ARG 66 - HB2 GLN 61 far 0 96 0 - 8.4-9.7 HB3 PRO 56 - HB2 GLN 61 far 0 98 0 - 9.0-9.6 Violated in 20 structures by 2.29 A. Peak 5767 from cnoeabs.peaks (1.31, 2.16, 34.98 ppm; 5.87 A): 3 out of 4 assignments used, quality = 1.00: QG2 THR 58 + HG3 GLN 61 OK 100 100 100 100 5.2-5.8 5230/1.8=99, 4627/3.0=87...(8) HG3 LYS 32 + HG3 GLN 61 OK 34 81 45 93 5.1-7.6 ~4670=55, ~4667=54...(8) HG2 LYS 32 + HG3 GLN 61 OK 31 73 45 93 5.3-6.7 ~4670=55, ~4667=54...(8) HB2 LEU 52 - HG3 GLN 61 far 0 63 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 5768 from cnoeabs.peaks (1.31, 2.53, 30.35 ppm; 5.31 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 58 + HB2 GLN 61 OK 100 100 100 100 4.3-4.9 4627=97, 2478/4625=90...(9) HB2 LEU 52 - HB2 GLN 61 far 0 73 0 - 7.1-9.0 HG3 LYS 32 - HB2 GLN 61 far 0 89 0 - 7.7-10.1 HG2 LYS 32 - HB2 GLN 61 far 0 63 0 - 8.1-9.4 QB ALA 28 - HB2 GLN 61 far 0 65 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 5770 from cnoeabs.peaks (0.98, 1.66, 30.35 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 57 + HB3 GLN 61 OK 90 90 100 100 3.3-4.0 2.1/4985=92, 5771/1.8=79...(17) QD1 LEU 64 - HB3 GLN 61 far 0 71 0 - 6.1-6.5 Violated in 0 structures by 0.00 A. Peak 5771 from cnoeabs.peaks (0.99, 2.53, 30.35 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 57 + HB2 GLN 61 OK 99 99 100 100 3.5-4.6 2.1/4602=91, 5749=81...(17) Violated in 0 structures by 0.00 A. Peak 5772 from cnoeabs.peaks (1.21, 1.66, 30.35 ppm; 5.30 A): 2 out of 6 assignments used, quality = 0.99: QG2 VAL 65 + HB3 GLN 61 OK 98 100 100 98 3.2-3.9 5773/1.8=65...(8) HG13 ILE 33 + HB3 GLN 61 OK 58 97 60 100 5.3-6.0 2.1/4222=68, ~4224=64...(10) QG1 VAL 65 - HB3 GLN 61 far 8 76 10 - 5.6-6.3 QG2 THR 15 - HB3 GLN 61 far 0 87 0 - 7.3-22.1 HG13 ILE 40 - HB3 GLN 61 far 0 78 0 - 8.5-9.5 HG LEU 52 - HB3 GLN 61 far 0 93 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 5773 from cnoeabs.peaks (1.22, 2.53, 30.35 ppm; 5.91 A): 1 out of 6 assignments used, quality = 0.97: QG2 VAL 65 + HB2 GLN 61 OK 97 100 100 98 3.8-4.8 4611/4602=79...(7) QG1 VAL 65 - HB2 GLN 61 far 0 92 0 - 6.3-7.3 HG13 ILE 33 - HB2 GLN 61 far 0 100 0 - 7.0-7.8 QG2 THR 15 - HB2 GLN 61 far 0 68 0 - 7.4-23.3 HG LEU 52 - HB2 GLN 61 far 0 78 0 - 9.0-10.2 HG13 ILE 40 - HB2 GLN 61 far 0 93 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 5777 from cnoeabs.peaks (7.69, 1.75, 41.88 ppm; 5.39 A): 1 out of 2 assignments used, quality = 0.99: H GLN 61 + HB2 LEU 62 OK 99 99 100 100 4.2-4.5 932/719=95, 5780/3907=74...(5) H TYR 55 - HB2 LEU 62 far 0 100 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 5778 from cnoeabs.peaks (7.67, 1.59, 41.88 ppm; 6.12 A increased from 5.44 A): 1 out of 2 assignments used, quality = 0.99: H GLN 61 + HB3 LEU 62 OK 99 99 100 100 5.5-5.8 5769/1.8=99, 932/2578=97...(4) H TYR 55 - HB3 LEU 62 far 0 92 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 5783 from cnoeabs.peaks (8.39, 4.06, 55.02 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: H VAL 65 + HA ALA 63 OK 100 100 100 100 4.1-4.6 5796=100, 264/3.6=91...(7) Violated in 0 structures by 0.00 A. Peak 5785 from cnoeabs.peaks (8.38, 1.49, 17.50 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: H VAL 65 + QB ALA 63 OK 100 100 100 100 4.3-4.6 264/263=94, 5796/2.1=88...(9) Violated in 0 structures by 0.00 A. Peak 5786 from cnoeabs.peaks (8.56, 1.49, 17.50 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.71: H ARG 66 + QB ALA 63 OK 71 71 100 100 4.4-4.8 4691/2.1=91, 4.0/5009=68...(6) Violated in 0 structures by 0.00 A. Peak 5787 from cnoeabs.peaks (8.82, 1.49, 17.50 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.99: H LEU 62 + QB ALA 63 OK 99 99 100 100 4.4-4.5 933/726=92, 5776/263=63...(7) Violated in 0 structures by 0.00 A. Peak 5789 from cnoeabs.peaks (8.58, 4.26, 57.87 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.98: H ARG 66 + HA LEU 64 OK 98 98 100 100 3.9-4.2 5037=97, 271/3.6=91...(8) Violated in 0 structures by 0.00 A. Peak 5790 from cnoeabs.peaks (7.73, 4.25, 57.41 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.90: H ASN 42 + HA LYS 39 OK 90 92 100 97 3.0-3.6 149/4371=63, 4354=57...(7) Violated in 0 structures by 0.00 A. Peak 5791 from cnoeabs.peaks (1.23, 1.70, 41.01 ppm; 5.58 A): 1 out of 4 assignments used, quality = 0.95: QG2 VAL 65 + HB3 LEU 64 OK 95 95 100 100 4.6-4.8 4700/1.8=94, 737/267=90...(13) HG13 ILE 33 - HB3 LEU 64 far 0 99 0 - 6.2-6.8 QG1 VAL 65 - HB3 LEU 64 far 0 99 0 - 6.7-6.7 HG13 ILE 40 - HB3 LEU 64 far 0 99 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 5792 from cnoeabs.peaks (1.21, 1.54, 27.08 ppm; 4.20 A): 2 out of 9 assignments used, quality = 0.99: QG2 VAL 65 + HG LEU 64 OK 98 99 100 99 4.0-4.4 5965/2.1=79, 738/268=63...(9) QG2 VAL 65 + HG LEU 62 OK 62 63 100 97 3.2-3.8 5006/2.1=67, 4722/4.3=54...(10) QG1 VAL 65 - HG LEU 62 far 2 36 5 - 4.4-5.1 HG LEU 52 - HG LEU 62 far 0 61 0 - 4.8-5.9 HG13 ILE 33 - HG LEU 64 far 0 93 0 - 4.9-5.4 QG1 VAL 65 - HG LEU 64 far 0 65 0 - 5.4-5.5 HG13 ILE 40 - HG LEU 64 far 0 68 0 - 7.1-7.9 HG13 ILE 40 - HG LEU 62 far 0 37 0 - 8.2-9.2 HG13 ILE 33 - HG LEU 62 far 0 56 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 5793 from cnoeabs.peaks (3.62, 1.54, 27.08 ppm; 5.41 A): 1 out of 4 assignments used, quality = 0.93: HA VAL 65 + HG LEU 64 OK 93 93 100 100 3.8-3.9 5032=93, 3.0/268=89...(20) HA VAL 65 - HG LEU 62 far 0 56 0 - 6.6-7.4 HA ARG 69 - HG LEU 64 far 0 96 0 - 8.3-8.8 HA ILE 40 - HG LEU 64 far 0 90 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 5794 from cnoeabs.peaks (3.96, 0.95, 23.35 ppm; 4.40 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 28 + QD1 LEU 64 OK 99 100 100 100 3.8-4.4 4173/2.1=89, ~5162=56...(10) HA GLN 61 - QD1 LEU 64 far 0 100 0 - 4.8-5.2 HA THR 37 - QD1 LEU 64 far 0 71 0 - 6.7-7.8 HA ARG 66 - QD1 LEU 64 far 0 90 0 - 7.6-7.9 HA LYS 32 - QD1 LEU 64 far 0 90 0 - 8.0-8.6 HA2 GLY 72 - QD1 LEU 64 far 0 100 0 - 8.5-10.5 Violated in 3 structures by 0.00 A. Peak 5797 from cnoeabs.peaks (7.96, 1.23, 22.65 ppm; 5.10 A): 1 out of 6 assignments used, quality = 0.80: H ARG 69 + QG1 VAL 65 OK 80 81 100 100 4.4-4.8 292/5034=70, 4710/3.2=69...(8) H ARG 70 - QG1 VAL 65 far 0 98 0 - 6.3-6.8 H ALA 63 - QG1 VAL 65 far 0 90 0 - 6.3-6.6 H GLY 72 - QG1 VAL 65 far 0 60 0 - 8.0-8.4 H LYS 32 - QG1 VAL 65 far 0 81 0 - 9.3-9.8 H LEU 29 - QG1 VAL 65 far 0 97 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 5798 from cnoeabs.peaks (7.43, 2.39, 31.50 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.97: H LEU 64 + HB VAL 65 OK 97 97 100 100 4.8-5.3 264/736=92, 4698=89...(4) H LEU 52 - HB VAL 65 far 0 100 0 - 6.3-7.5 HE21 GLN 61 - HB VAL 65 far 0 60 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 5799 from cnoeabs.peaks (7.41, 1.23, 22.65 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.90: H LEU 52 + QG1 VAL 65 OK 90 95 100 95 4.5-5.4 670/4728=72, 669/5314=64...(4) H LEU 64 - QG1 VAL 65 far 0 100 0 - 5.7-6.0 H LYS 39 - QG1 VAL 65 far 0 73 0 - 6.8-7.6 Violated in 1 structures by 0.01 A. Peak 5802 from cnoeabs.peaks (7.93, 1.70, 28.91 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: H ASP 67 + HG3 ARG 66 OK 100 100 100 100 4.9-5.2 280/1.8=91, 278/2.8=89...(13) H ARG 70 - HG3 ARG 66 far 0 83 0 - 6.2-8.1 Violated in 1 structures by 0.00 A. Peak 5811 from cnoeabs.peaks (8.59, 2.90, 41.70 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: H ARG 66 + HB2 ASP 67 OK 100 100 100 100 4.2-4.5 937/749=95, 5813/1.8=73...(7) Violated in 0 structures by 0.00 A. Peak 5813 from cnoeabs.peaks (8.58, 2.84, 41.70 ppm; 5.60 A): 1 out of 1 assignment used, quality = 0.99: H ARG 66 + HB3 ASP 67 OK 99 99 100 100 4.9-5.5 937/750=95, 5800/1.8=91...(5) Violated in 0 structures by 0.00 A. Peak 5814 from cnoeabs.peaks (8.61, 4.48, 57.73 ppm; 5.10 A increased from 4.54 A): 2 out of 2 assignments used, quality = 0.96: H VAL 45 + HA ASP 46 OK 81 82 100 99 5.1-5.3 162/3.0=83, 630/4417=72...(4) H ARG 66 + HA ASP 67 OK 79 81 100 98 5.0-5.1 937/3.0=76, 5800/3.0=55...(6) Violated in 0 structures by 0.00 A. Peak 5815 from cnoeabs.peaks (8.10, 3.51, 65.41 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: H ARG 71 + HA ILE 68 OK 100 100 100 100 3.1-4.3 15389=100, 5825/3.6=62...(9) H LYS 75 - HA ILE 68 far 0 96 0 - 7.6-9.5 H ARG 26 - HA ILE 68 far 0 63 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 5816 from cnoeabs.peaks (7.98, 0.92, 28.80 ppm; 5.42 A): 1 out of 4 assignments used, quality = 1.00: H ARG 69 + HG12 ILE 68 OK 100 100 100 100 5.0-5.2 5.0=100 H GLY 72 - HG12 ILE 68 far 10 99 10 - 5.5-6.9 H LYS 73 - HG12 ILE 68 far 0 96 0 - 8.0-8.9 H ALA 30 - HG12 ILE 68 far 0 100 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 5817 from cnoeabs.peaks (7.95, 1.92, 28.80 ppm; 5.27 A): 1 out of 4 assignments used, quality = 0.80: H ASP 67 + HG13 ILE 68 OK 80 81 100 99 4.0-4.3 4.6/2770=69, 5803/2.1=63...(9) H ARG 70 - HG13 ILE 68 far 0 100 0 - 5.8-6.5 H ALA 63 - HG13 ILE 68 far 0 68 0 - 8.6-9.1 H LEU 29 - HG13 ILE 68 far 0 100 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 5821 from cnoeabs.peaks (0.81, 1.39, 29.46 ppm; 5.70 A increased from 5.06 A): 3 out of 4 assignments used, quality = 1.00: QG2 ILE 68 + HB3 ARG 69 OK 100 100 100 100 4.2-5.6 4751/3.0=96, 291/761=93...(8) QG1 VAL 41 + HB3 ARG 69 OK 92 97 95 100 5.0-6.1 4903/3.0=84, ~5130=74...(18) QD1 ILE 68 + HB3 ARG 69 OK 32 68 50 93 5.7-6.9 ~4751=60, 3939/761=55...(5) QD1 LEU 43 - HB3 ARG 69 far 0 76 0 - 6.5-8.9 Violated in 0 structures by 0.00 A. Peak 5822 from cnoeabs.peaks (1.92, 3.63, 59.20 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.87: HB ILE 68 + HA ARG 69 OK 76 76 100 100 4.2-4.4 2.1/4751=89, 293/2.9=84...(10) HB VAL 41 + HA ARG 69 OK 48 97 50 99 4.7-5.3 2.1/5130=89, 2.1/4767=43...(11) HG12 ILE 40 - HA ARG 69 far 0 92 0 - 6.0-6.9 HG13 ILE 68 - HA ARG 69 far 0 100 0 - 6.4-6.4 HB3 ARG 66 - HA ARG 69 far 0 78 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 5823 from cnoeabs.peaks (7.06, 2.03, 42.48 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.98: QD PHE 48 + HD2 ARG 69 OK 91 100 95 96 2.8-5.2 2.2/4789=43, ~4784=36...(12) QD PHE 48 + HD3 ARG 69 OK 77 100 80 96 3.1-5.8 ~4784=36, 2.2/4789=36...(12) Violated in 0 structures by 0.00 A. Peak 5824 from cnoeabs.peaks (7.97, 2.03, 42.48 ppm; 4.97 A): 4 out of 9 assignments used, quality = 0.99: H ARG 69 + HD3 ARG 69 OK 86 96 90 100 4.5-5.9 763/3.9=77, 760/3.9=76...(9) H ARG 70 + HD3 ARG 69 OK 78 87 90 99 2.7-5.5 297/3.9=66, 5829/3.0=66...(11) H ARG 69 + HD2 ARG 69 OK 43 96 45 100 4.1-5.9 763/3.9=77, 760/3.9=76...(9) H ARG 70 + HD2 ARG 69 OK 34 87 40 99 2.5-6.1 297/3.9=66, 5829/3.0=66...(11) H LYS 73 - HD3 ARG 69 far 10 68 15 - 4.3-7.9 H GLY 72 - HD3 ARG 69 far 4 83 5 - 5.2-8.3 H LYS 73 - HD2 ARG 69 far 3 68 5 - 5.1-8.0 H GLY 72 - HD2 ARG 69 far 0 83 0 - 5.6-8.6 H VAL 76 - HD3 ARG 69 far 0 97 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 5832 from cnoeabs.peaks (0.88, 3.20, 43.49 ppm; 4.79 A increased from 4.50 A): 1 out of 5 assignments used, quality = 0.27: QD1 LEU 29 + HD3 ARG 26 OK 27 29 100 93 2.0-4.8 5961=63, 5961/1.8=29...(10) QD1 LEU 62 - HD2 ARG 66 far 0 91 0 - 6.3-8.2 QD1 LEU 62 - HD3 ARG 66 far 0 88 0 - 6.4-7.8 HG LEU 51 - HD2 ARG 66 far 0 82 0 - 8.9-12.2 HG LEU 51 - HD3 ARG 66 far 0 78 0 - 9.0-11.7 Violated in 2 structures by 0.00 A. Peak 5836 from cnoeabs.peaks (2.79, 4.08, 58.40 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.94: HB2 ASN 74 + HA ARG 71 OK 79 90 95 92 2.4-4.8 16010=60, 1.8/16009=59...(6) HB3 ASN 74 + HA ARG 71 OK 69 93 80 93 2.4-5.0 1.8/16010=61, 16009=59...(7) Violated in 0 structures by 0.00 A. Peak 5844 from cnoeabs.peaks (1.82, 3.96, 46.02 ppm; 4.90 A increased from 4.62 A): 2 out of 5 assignments used, quality = 0.85: HB2 LYS 75 + HA2 GLY 72 OK 74 76 100 98 3.6-4.7 16031=76, 1.8/6032=73...(5) HB2 LYS 73 + HA2 GLY 72 OK 43 100 45 95 4.7-5.7 787/3.6=86, 5262/4339=37...(6) HB2 ARG 69 - HA2 GLY 72 far 0 89 0 - 6.0-8.9 HB2 ARG 23 - HA2 GLY 72 far 0 65 0 - 9.0-12.6 HB3 ARG 23 - HA2 GLY 72 far 0 63 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 5846 from cnoeabs.peaks (0.91, 1.78, 32.45 ppm; 4.45 A): 1 out of 24 assignments used, quality = 0.85: QG1 VAL 76 + HB3 LYS 75 OK 85 86 100 98 2.6-4.5 815/341=66, 5328/3.5=58...(11) QG1 VAL 76 - HB3 LYS 73 far 14 97 15 - 3.6-6.9 QG2 VAL 76 - HB3 LYS 73 far 10 97 10 - 3.7-7.1 QG2 VAL 76 - HB3 LYS 75 far 9 86 10 - 4.5-6.6 QD1 LEU 86 - HB2 LYS 83 far 7 72 10 - 3.1-12.1 QG2 VAL 41 - HB3 LYS 73 far 0 71 0 - 5.2-6.1 QG2 VAL 41 - HB3 LYS 75 far 0 60 0 - 5.3-6.7 QD1 LEU 86 - HB2 LYS 85 far 0 45 0 - 5.5-7.8 QG1 VAL 90 - HB2 LYS 85 far 0 61 0 - 5.6-16.8 HG LEU 51 - HB3 LYS 39 far 0 85 0 - 6.3-8.4 QG2 ILE 40 - HB3 LYS 39 far 0 81 0 - 6.4-6.8 QG1 VAL 90 - HB2 LYS 83 far 0 92 0 - 6.7-21.9 QG2 VAL 41 - HB3 LYS 39 far 0 69 0 - 6.7-7.3 QG2 VAL 76 - HB2 LYS 85 far 0 60 0 - 6.9-20.5 QG2 VAL 76 - HB2 LYS 83 far 0 91 0 - 7.1-15.3 QG2 ILE 40 - HB3 LYS 73 far 0 83 0 - 7.2-8.4 QG2 VAL 90 - HB2 LYS 83 far 0 91 0 - 7.4-21.3 QG2 VAL 90 - HB2 LYS 85 far 0 60 0 - 7.6-15.5 HG12 ILE 68 - HB3 LYS 75 far 0 86 0 - 8.7-12.1 QG2 ILE 40 - HB3 LYS 75 far 0 72 0 - 8.9-10.4 QG1 VAL 76 - HB3 LYS 39 far 0 95 0 - 9.2-13.2 QG1 VAL 76 - HB2 LYS 85 far 0 60 0 - 9.3-21.6 QG1 VAL 76 - HB2 LYS 83 far 0 91 0 - 9.5-16.1 QG2 VAL 76 - HB3 LYS 39 far 0 95 0 - 9.8-14.2 Violated in 2 structures by 0.00 A. Peak 5852 from cnoeabs.peaks (2.33, 3.97, 62.83 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.58: HG2 GLN 79 + HA VAL 76 OK 38 100 40 95 2.7-7.4 3.0/16011=61, 5864=44...(10) HG3 GLN 79 + HA VAL 76 OK 33 100 35 94 4.0-7.5 3.0/16011=61, 5864=38...(8) Violated in 11 structures by 0.65 A. Peak 5853 from cnoeabs.peaks (1.83, 3.97, 62.83 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.93: HB2 LYS 75 + HA VAL 76 OK 93 93 100 100 4.1-5.5 340/3.0=87, ~3977=67...(14) HB2 LYS 73 - HA VAL 76 far 0 99 0 - 7.8-8.8 HB2 LYS 85 - HA VAL 76 far 0 68 0 - 9.6-24.2 HB3 ARG 71 - HA VAL 76 far 0 71 0 - 9.9-12.8 Violated in 4 structures by 0.04 A. Peak 5854 from cnoeabs.peaks (1.37, 0.92, 20.67 ppm; 4.22 A increased from 3.97 A): 3 out of 28 assignments used, quality = 0.93: HG2 LYS 75 + QG1 VAL 76 OK 87 88 100 99 1.9-4.2 2.7/5846=58, 2.9/5328=57...(12) HG3 LYS 75 + QG1 VAL 76 OK 26 88 30 99 3.1-5.3 2.7/5846=58, 2.9/5328=57...(12) QB ALA 77 + QG2 VAL 76 OK 24 100 25 98 4.0-5.1 2.1/5437=61, ~350=36...(12) HG3 LYS 73 - QG1 VAL 76 poor 19 91 30 71 3.0-6.7 3.8/5430=49, 5436/2.1=15...(9) QB ALA 77 - QG1 VAL 76 far 15 100 15 - 3.1-5.5 HG3 LYS 73 - QG2 VAL 76 far 14 92 15 - 3.0-7.2 QB ALA 78 - QG2 VAL 76 far 14 92 15 - 4.0-5.8 HG2 LYS 75 - QG2 VAL 76 far 4 89 5 - 4.3-6.5 QB ALA 78 - QG1 VAL 76 far 0 91 0 - 5.2-6.0 HG3 LYS 75 - QG2 VAL 76 far 0 89 0 - 5.6-7.0 HG2 LYS 85 - QG1 VAL 90 far 0 73 0 - 5.9-16.3 HG3 ARG 69 - QG1 VAL 76 far 0 99 0 - 6.5-10.7 HG2 LYS 85 - QG2 VAL 76 far 0 100 0 - 7.2-20.5 HG3 ARG 69 - QG2 VAL 76 far 0 100 0 - 7.3-11.3 HB3 ARG 69 - QG2 VAL 76 far 0 78 0 - 7.5-12.7 QB ALA 16 - QG2 VAL 76 far 0 95 0 - 7.9-25.9 QB ALA 16 - QG1 VAL 76 far 0 94 0 - 7.9-24.6 HG2 LYS 83 - QG2 VAL 76 far 0 100 0 - 7.9-14.7 HG2 LYS 85 - QG2 VAL 90 far 0 71 0 - 8.0-17.0 HB3 ARG 69 - QG1 VAL 76 far 0 77 0 - 8.1-11.7 QB ALA 20 - QG1 VAL 76 far 0 99 0 - 8.7-17.8 HG2 LYS 83 - QG1 VAL 90 far 0 74 0 - 8.9-21.4 HG2 LYS 83 - QG1 VAL 76 far 0 99 0 - 9.1-16.6 QB ALA 77 - QG2 VAL 90 far 0 72 0 - 9.1-25.8 HG2 LYS 85 - QG1 VAL 76 far 0 99 0 - 9.3-22.1 HG2 LYS 83 - QG2 VAL 90 far 0 71 0 - 9.6-22.3 QB ALA 20 - QG2 VAL 76 far 0 100 0 - 9.8-19.2 QB ALA 77 - QG1 VAL 90 far 0 74 0 - 9.8-26.1 Violated in 0 structures by 0.00 A. Peak 5856 from cnoeabs.peaks (4.23, 3.97, 62.83 ppm; 4.66 A increased from 4.38 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 77 + HA VAL 76 OK 100 100 100 100 4.4-4.9 3.0/349=87, 5437/3.2=63...(10) HA LYS 75 + HA VAL 76 OK 97 97 100 100 4.5-4.8 4.7=96, 3.0/5853=54...(15) HA ALA 78 - HA VAL 76 far 0 63 0 - 5.8-6.7 Violated in 0 structures by 0.00 A. Peak 5859 from cnoeabs.peaks (2.70, 4.23, 52.70 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.98: * HB2 ASN 80 + HA ALA 77 OK 98 100 100 98 2.2-4.2 15869=65, 1.8/15875=65...(7) HB2 ASN 80 - HA ALA 78 far 0 54 0 - 5.1-7.2 Violated in 1 structures by 0.00 A. Peak 5862 from cnoeabs.peaks (3.03, 4.21, 52.88 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 81 + HA ALA 78 OK 100 100 100 100 3.7-4.6 15458=96, 1.8/6049=74...(6) HB2 TYR 81 - HA ALA 77 far 0 57 0 - 6.0-7.5 Violated in 3 structures by 0.01 A. Peak 5864 from cnoeabs.peaks (3.96, 2.33, 33.49 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.60: HA VAL 76 + HG2 GLN 79 OK 39 100 40 97 2.7-7.4 16011/3.0=68, 5852=53...(10) HA VAL 76 + HG3 GLN 79 OK 34 100 35 97 4.0-7.5 16011/3.0=68...(8) Violated in 11 structures by 0.49 A. Peak 5865 from cnoeabs.peaks (0.92, 2.33, 33.49 ppm; 5.28 A): 3 out of 7 assignments used, quality = 0.96: QG2 VAL 76 + HG2 GLN 79 OK 81 99 85 96 3.0-6.4 ~16011=42, 3.2/5852=41...(10) QG2 VAL 76 + HG3 GLN 79 OK 67 99 70 96 3.5-6.6 ~16011=42, 5373/3.0=36...(10) QG1 VAL 76 + HG2 GLN 79 OK 33 99 35 95 4.7-8.0 ~16011=42, 3.2/5852=41...(8) QG1 VAL 76 - HG3 GLN 79 poor 20 99 20 - 5.2-8.2 QD1 LEU 86 - HG3 GLN 79 far 3 65 5 - 4.9-21.5 QD1 LEU 86 - HG2 GLN 79 far 0 65 0 - 6.1-22.2 QG2 VAL 41 - HG2 GLN 79 far 0 83 0 - 9.5-14.6 Violated in 1 structures by 0.00 A. Peak 5866 from cnoeabs.peaks (6.86, 2.33, 33.49 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 79 + HG3 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 79 + HG2 GLN 79 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 5867 from cnoeabs.peaks (8.21, 1.97, 28.98 ppm; 4.56 A): 2 out of 6 assignments used, quality = 1.00: H GLN 79 + HB2 GLN 79 OK 100 100 100 100 2.2-2.7 4.0=100 H GLN 79 + HB3 GLN 79 OK 63 63 100 100 2.5-3.6 4.0=100 H ALA 77 - HB2 GLN 79 far 0 97 0 - 5.0-6.5 H ALA 77 - HB3 GLN 79 far 0 57 0 - 5.5-7.5 H ARG 84 - HB3 GLN 79 far 0 51 0 - 7.4-15.7 H ARG 84 - HB2 GLN 79 far 0 90 0 - 8.3-16.5 Violated in 0 structures by 0.00 A. Peak 5868 from cnoeabs.peaks (7.08, 4.20, 56.12 ppm; 5.50 A increased from 4.89 A): 1 out of 2 assignments used, quality = 0.70: QD TYR 81 + HA ARG 82 OK 70 70 100 100 3.0-5.5 4683/3.0=80, 4684/3.8=73...(8) QD TYR 81 - HA GLN 79 poor 20 99 20 - 3.6-7.1 Violated in 0 structures by 0.00 A. Peak 5869 from cnoeabs.peaks (4.23, 2.70, 38.61 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 77 + HB2 ASN 80 OK 100 100 100 100 2.2-4.2 5859=100, 15875/1.8=84...(7) HA ALA 78 - HB2 ASN 80 far 0 73 0 - 5.1-7.2 HA LYS 83 - HB2 ASN 80 far 0 95 0 - 6.5-11.5 HA LYS 75 - HB2 ASN 80 far 0 93 0 - 8.2-10.7 HA LYS 85 - HB2 ASN 80 far 0 100 0 - 9.7-18.1 Violated in 0 structures by 0.00 A. Peak 5871 from cnoeabs.peaks (6.89, 2.70, 38.61 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 80 + HB2 ASN 80 OK 100 100 100 100 3.4-3.8 3.5=100 HD22 ASN 74 - HB2 ASN 80 far 0 97 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 5872 from cnoeabs.peaks (7.54, 2.70, 38.61 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 80 + HB2 ASN 80 OK 100 100 100 100 2.1-3.0 3.5=100 Violated in 0 structures by 0.00 A. Peak 5873 from cnoeabs.peaks (8.03, 2.70, 38.61 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.96: H TYR 81 + HB2 ASN 80 OK 96 96 100 100 2.1-4.6 4.4=100 H ARG 82 - HB2 ASN 80 far 15 97 15 - 3.5-8.1 Violated in 0 structures by 0.00 A. Peak 5874 from cnoeabs.peaks (1.39, 2.70, 38.61 ppm; 5.54 A): 1 out of 6 assignments used, quality = 0.90: QB ALA 77 + HB2 ASN 80 OK 90 90 100 100 3.3-5.3 2.1/5859=98, ~15875=75...(7) HG3 LYS 73 - HB2 ASN 80 far 10 100 10 - 5.4-10.8 HG2 LYS 83 - HB2 ASN 80 far 4 76 5 - 5.3-13.5 QB ALA 78 - HB2 ASN 80 lone 1 100 25 2 5.5-7.0 HG2 LYS 75 - HB2 ASN 80 far 0 100 0 - 8.3-11.6 HG3 LYS 75 - HB2 ASN 80 far 0 100 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 5875 from cnoeabs.peaks (4.23, 2.76, 38.61 ppm; 4.57 A): 2 out of 8 assignments used, quality = 1.00: * HA ALA 77 + HB3 ASN 80 OK 100 100 100 100 2.8-4.6 5859/1.8=88, 6046=86...(7) HA LYS 75 + HB3 ASN 74 OK 33 59 90 62 3.9-5.6 ~334=32, 3.0/335=32, ~335=17 HA LYS 83 - HB3 ASN 80 far 0 95 0 - 5.0-11.2 HA ALA 78 - HB3 ASN 80 far 0 73 0 - 5.5-7.5 HA ALA 77 - HB3 ASN 74 far 0 68 0 - 6.2-7.7 HA ALA 78 - HB3 ASN 74 far 0 43 0 - 6.3-10.7 HA LYS 85 - HB3 ASN 80 far 0 100 0 - 8.6-17.2 HA LYS 75 - HB3 ASN 80 far 0 93 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 5876 from cnoeabs.peaks (2.75, 2.70, 38.61 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.99: HB3 ASN 80 + HB2 ASN 80 OK 99 99 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5877 from cnoeabs.peaks (2.71, 2.76, 38.61 ppm; 2.40 A): 1 out of 2 assignments used, quality = 0.97: HB2 ASN 80 + HB3 ASN 80 OK 97 97 100 100 1.8-1.8 1.8=100 HB2 ASN 80 - HB3 ASN 74 far 0 63 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 5878 from cnoeabs.peaks (2.76, 2.76, 38.61 ppm; diagonal): 2 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; 4.81 A): 2 out of 13 assignments used, quality = 0.88: QB ALA 77 + HB3 ASN 80 OK 70 100 70 100 3.8-5.7 2.1/15875=80, ~5859=65...(7) QB ALA 77 + HB3 ASN 74 OK 62 67 95 97 3.6-5.2 6040/3.0=88, ~16039=36...(6) HG2 LYS 83 - HB3 ASN 80 far 10 100 10 - 3.9-12.6 QB ALA 78 - HB3 ASN 74 far 5 55 10 - 4.9-8.8 HG3 LYS 75 - HB3 ASN 74 far 3 52 5 - 4.4-8.1 HG2 LYS 75 - HB3 ASN 74 far 0 52 0 - 5.7-8.0 HG3 LYS 73 - HB3 ASN 80 far 0 89 0 - 5.8-11.2 QB ALA 78 - HB3 ASN 80 far 0 89 0 - 6.1-7.6 HG3 LYS 73 - HB3 ASN 74 far 0 55 0 - 6.4-8.4 HG3 ARG 69 - HB3 ASN 74 far 0 67 0 - 8.4-12.5 HG2 LYS 75 - HB3 ASN 80 far 0 85 0 - 9.0-12.7 HB3 ARG 69 - HB3 ASN 74 far 0 43 0 - 9.4-11.4 QB ALA 16 - HB3 ASN 80 far 0 97 0 - 9.5-36.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HD22 ASN 74 + HB3 ASN 74 OK 65 65 100 100 3.4-4.1 3.5=100 HD22 ASN 80 - HB3 ASN 74 far 0 69 0 - 8.5-13.2 HD22 ASN 74 - HB3 ASN 80 far 0 98 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 5881 from cnoeabs.peaks (7.55, 2.76, 38.61 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 80 + HB3 ASN 80 OK 100 100 100 100 2.2-3.5 3.5=100 HD21 ASN 80 - HB3 ASN 74 far 0 68 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 5883 from cnoeabs.peaks (3.00, 3.03, 38.06 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.71: HB3 TYR 81 + HB2 TYR 81 OK 71 71 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 65 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 5885 from cnoeabs.peaks (1.52, 4.18, 56.27 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.96: HG2 ARG 82 + HA ARG 82 OK 96 99 100 97 2.4-3.7 3.8=76, 5479/3.0=61...(13) HG2 ARG 82 - HA ARG 84 far 0 78 0 - 4.2-9.4 HG2 ARG 82 - HA GLN 79 far 0 73 0 - 4.4-10.3 Violated in 4 structures by 0.03 A. Peak 5886 from cnoeabs.peaks (3.01, 4.18, 56.27 ppm; 5.01 A): 1 out of 7 assignments used, quality = 0.61: HB2 TYR 81 + HA ARG 82 OK 61 68 95 95 4.1-5.9 5887/3.0=54, ~5474=48...(6) HB2 TYR 81 - HA GLN 79 poor 11 44 25 - 5.1-6.9 HB3 TYR 81 - HA ARG 82 far 9 57 15 - 5.1-6.0 HB3 TYR 81 - HA GLN 79 lone 3 37 80 9 4.6-5.6 3.9/6050=6, 5459=2 HB2 TYR 81 - HA ARG 84 far 2 48 5 - 4.9-11.7 HB3 TYR 81 - HA ARG 84 far 0 40 0 - 5.5-12.2 HB3 TYR 81 - HA LYS 73 far 0 26 0 - 9.8-12.0 Violated in 2 structures by 0.06 A. Peak 5887 from cnoeabs.peaks (3.02, 1.76, 30.45 ppm; 5.41 A increased from 4.81 A): 1 out of 3 assignments used, quality = 0.92: HB2 TYR 81 + HB3 ARG 82 OK 92 93 100 99 3.8-5.3 2.5/4683=85, 5886/3.0=66...(6) HD3 ARG 54 - HB2 PRO 34 far 0 86 0 - 7.9-10.2 HD2 ARG 54 - HB2 PRO 34 far 0 87 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. Peak 5888 from cnoeabs.peaks (3.15, 4.18, 56.27 ppm; 4.78 A increased from 4.25 A): 3 out of 10 assignments used, quality = 1.00: * HD2 ARG 82 + HA ARG 82 OK 100 100 100 100 2.2-4.9 4.9=93, 3.0/5885=86...(6) HD3 ARG 84 + HA ARG 84 OK 81 81 100 100 2.1-4.9 5.1=82, ~3402=24...(39) HD2 ARG 84 + HA ARG 84 OK 73 81 90 100 2.1-5.5 5.1=82, 6148/3.0=29...(39) HD3 ARG 84 - HA GLN 79 far 4 76 5 - 4.1-17.0 HD3 ARG 84 - HA ARG 82 far 0 100 0 - 5.4-10.8 HD2 ARG 84 - HA GLN 79 far 0 76 0 - 5.4-16.8 HD2 ARG 84 - HA ARG 82 far 0 100 0 - 5.8-10.8 HD2 ARG 82 - HA ARG 84 far 0 81 0 - 6.0-10.5 HD2 ARG 82 - HA GLN 79 far 0 76 0 - 6.4-12.2 HD2 ARG 71 - HA LYS 73 far 0 55 0 - 7.4-10.8 Violated in 0 structures by 0.00 A. Peak 5889 from cnoeabs.peaks (3.14, 1.69, 30.45 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: HD2 ARG 82 + HB2 ARG 82 OK 100 100 100 100 2.4-3.9 3.6=100 HD2 ARG 84 - HB2 ARG 82 far 10 100 10 - 4.0-11.5 HD3 ARG 84 - HB2 ARG 82 far 5 99 5 - 4.2-11.1 Violated in 0 structures by 0.00 A. Peak 5890 from cnoeabs.peaks (8.19, 1.73, 30.41 ppm; 5.12 A): 1 out of 4 assignments used, quality = 0.93: H ARG 84 + HB2 ARG 84 OK 93 93 100 100 2.3-4.0 4.0=100 H THR 15 - HB3 ARG 17 far 0 58 0 - 5.4-10.5 H ALA 28 - HB3 ARG 17 far 0 41 0 - 8.0-15.9 H SER 22 - HB3 ARG 17 far 0 45 0 - 8.9-16.3 Violated in 0 structures by 0.00 A. Peak 5891 from cnoeabs.peaks (8.19, 1.80, 30.41 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.93: H ARG 84 + HB3 ARG 84 OK 93 93 100 100 2.6-3.9 4.0=100 H THR 15 - HB3 LYS 32 far 2 36 5 - 4.0-28.0 H THR 15 - HB2 LYS 32 far 0 36 0 - 5.7-28.6 H THR 15 - HB2 PRO 34 far 0 53 0 - 8.0-25.3 H ALA 28 - HB2 LYS 32 far 0 24 0 - 9.5-9.7 H ALA 28 - HB3 LYS 32 far 0 24 0 - 9.7-9.9 Violated in 0 structures by 0.00 A. Peak 5892 from cnoeabs.peaks (8.10, 1.38, 24.55 ppm; 4.90 A): 3 out of 10 assignments used, quality = 1.00: H LYS 85 + HG2 LYS 85 OK 100 100 100 100 2.0-4.9 4.8=100 H LYS 75 + HG3 LYS 75 OK 55 55 100 100 2.0-4.7 4.8=100 H LYS 75 + HG2 LYS 75 OK 55 55 100 100 3.1-4.6 4.8=100 H LYS 85 - HG2 LYS 83 far 9 91 10 - 4.9-8.4 H THR 88 - HG2 LYS 85 far 3 57 5 - 4.4-11.0 H LYS 75 - HG3 LYS 73 far 0 93 0 - 5.3-6.8 H ARG 71 - HG3 LYS 75 far 0 58 0 - 6.6-10.8 H ARG 71 - HG3 LYS 73 far 0 96 0 - 6.6-8.5 H THR 88 - HG2 LYS 83 far 0 47 0 - 6.6-17.5 H ARG 71 - HG2 LYS 75 far 0 58 0 - 8.2-11.2 Violated in 0 structures by 0.00 A. Peak 5893 from cnoeabs.peaks (8.12, 1.45, 24.55 ppm; 5.44 A): 2 out of 6 assignments used, quality = 0.91: H LYS 85 + HG3 LYS 85 OK 87 87 100 100 2.3-4.6 4.8=100 H ASN 74 + HG2 LYS 73 OK 34 35 100 95 4.7-5.3 324/2.9=55, ~6053=50...(5) H THR 88 - HG3 LYS 85 far 0 99 0 - 5.8-11.9 H ARG 71 - HG2 LYS 73 far 0 56 0 - 6.1-8.5 H ALA 78 - HG2 LYS 73 far 0 43 0 - 7.7-10.4 H ALA 78 - HG3 LYS 85 far 0 71 0 - 7.8-21.5 Violated in 0 structures by 0.00 A. Peak 5894 from cnoeabs.peaks (8.28, 1.60, 26.98 ppm; 5.01 A): 1 out of 8 assignments used, quality = 0.97: H LEU 86 + HG LEU 86 OK 97 97 100 100 2.5-4.9 861/3.0=89, 5.3=85...(7) H LEU 86 - HG3 ARG 84 far 10 65 15 - 2.1-8.9 H ASN 80 - HG2 ARG 84 far 3 68 5 - 5.2-14.2 H LEU 86 - HG2 ARG 84 far 3 65 5 - 3.8-8.7 H ASN 80 - HG3 ARG 84 far 0 68 0 - 6.1-13.3 H VAL 90 - HG LEU 86 far 0 97 0 - 7.2-14.4 H LYS 13 - HG2 ARG 17 far 0 78 0 - 7.8-15.9 H LYS 13 - HG3 ARG 17 far 0 76 0 - 7.9-16.1 Violated in 0 structures by 0.00 A. Peak 5903 from cnoeabs.peaks (8.26, 1.82, 38.45 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.99: H VAL 90 + HB ILE 89 OK 99 99 100 100 2.1-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 5904 from cnoeabs.peaks (4.30, 0.81, 12.45 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.61: HA THR 88 + QD1 ILE 89 OK 61 81 100 75 2.9-5.3 408/4.9=61, 3588/2.1=23...(4) HA GLU 87 - QD1 ILE 89 far 14 92 15 - 5.4-8.6 HA LEU 86 - QD1 ILE 89 far 0 100 0 - 6.3-10.5 HA ALA 16 - QD1 ILE 89 far 0 98 0 - 9.8-60.8 Violated in 0 structures by 0.00 A. Peak 5907 from cnoeabs.peaks (1.68, 3.79, 50.51 ppm; 5.31 A increased from 4.99 A): 3 out of 4 assignments used, quality = 1.00: HB3 LYS 13 + HD2 PRO 14 OK 99 99 100 100 3.0-5.1 4.8=100 HD3 LYS 13 + HD2 PRO 14 OK 54 97 70 80 2.0-6.9 5.4/4801=66, 4821/1.8=14...(5) HD2 LYS 13 + HD2 PRO 14 OK 46 97 60 79 2.6-7.4 5.4/4801=66, 4821/1.8=16...(4) HG LEU 29 - HD2 PRO 14 far 0 100 0 - 8.8-26.3 Violated in 0 structures by 0.00 A. Peak 5924 from cnoeabs.peaks (8.28, 1.42, 24.46 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: H LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.2-4.3 4.9=100 Violated in 0 structures by 0.00 A. Peak 5925 from cnoeabs.peaks (1.64, 2.05, 29.32 ppm; 5.73 A increased from 4.59 A): 2 out of 13 assignments used, quality = 0.98: HG2 ARG 26 + HB2 GLU 25 OK 87 93 100 93 3.4-5.7 529/4.7=72, 1.8/5926=51...(6) HG2 ARG 26 + HB3 GLU 25 OK 87 93 100 93 3.4-5.8 529/4.7=72, 1.8/5926=46...(6) HG2 ARG 27 - HB2 GLU 25 far 15 100 15 - 5.7-9.2 HG3 ARG 27 - HB2 GLU 25 far 10 100 10 - 5.9-9.0 HG2 ARG 27 - HB3 GLU 25 far 0 100 0 - 6.3-9.2 HG3 ARG 27 - HB3 GLU 25 far 0 100 0 - 6.4-9.2 HG3 ARG 17 - HB3 GLU 25 far 0 90 0 - 7.7-15.1 HG2 ARG 17 - HB3 GLU 25 far 0 89 0 - 8.5-14.7 HG3 ARG 17 - HB2 GLU 25 far 0 90 0 - 8.9-16.0 HD2 LYS 75 - HB2 GLU 25 far 0 60 0 - 9.1-18.4 HD3 LYS 75 - HB2 GLU 25 far 0 60 0 - 9.5-17.0 HG2 ARG 17 - HB2 GLU 25 far 0 89 0 - 9.7-16.1 HB3 GLN 61 - HB3 PRO 56 far 0 35 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 5926 from cnoeabs.peaks (2.05, 1.75, 27.49 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.95: HB2 GLU 25 + HG3 ARG 26 OK 82 100 100 82 3.5-5.1 4.7/1390=56, 5925/1.8=29...(5) HB3 GLU 25 + HG3 ARG 26 OK 73 100 90 82 3.7-5.7 4.7/1390=56, 5925/1.8=29...(5) HB3 GLU 19 - HG3 ARG 26 far 0 92 0 - 6.3-14.3 Violated in 0 structures by 0.00 A. Peak 5927 from cnoeabs.peaks (0.75, 1.85, 30.20 ppm; 5.70 A): 2 out of 10 assignments used, quality = 0.82: QD1 ILE 68 + HB3 ARG 27 OK 58 68 100 85 3.0-4.0 5974=44, 5909/4.3=33...(8) QD1 ILE 68 + HB2 ARG 27 OK 57 68 100 84 2.6-5.1 5974/1.8=44, 5909/4.3=33...(7) QD1 ILE 68 - HB2 ARG 71 poor 13 68 35 56 5.4-8.0 4.1/5392=38, 2.9/5096=13...(5) QD1 ILE 68 - HB3 ARG 71 far 0 68 0 - 6.2-7.7 QD1 ILE 68 - HB2 ARG 26 far 0 32 0 - 7.1-8.9 QD1 ILE 68 - HB2 ARG 66 far 0 34 0 - 7.1-8.0 QD1 ILE 68 - HB3 ARG 26 far 0 30 0 - 7.8-9.1 QD1 ILE 68 - HB3 ARG 23 far 0 49 0 - 8.1-9.9 QD1 ILE 68 - HB2 ARG 23 far 0 49 0 - 8.3-10.2 QD1 ILE 68 - HB3 PRO 34 far 0 27 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 5928 from cnoeabs.peaks (0.81, 3.96, 54.22 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.56: QD1 ILE 68 + HA ALA 28 OK 56 65 100 86 3.3-4.1 4758/2.1=54, 5909/3.0=41...(7) QG2 ILE 68 - HA ALA 28 far 0 100 0 - 5.6-6.5 Violated in 0 structures by 0.00 A. Peak 5929 from cnoeabs.peaks (4.06, 1.67, 26.82 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.95: HA ARG 26 + HG LEU 29 OK 95 96 100 99 2.1-2.2 5394/3.0=71...(10) Violated in 0 structures by 0.00 A. Peak 5930 from cnoeabs.peaks (6.82, 1.99, 16.73 ppm; 5.55 A increased from 5.22 A): 1 out of 1 assignment used, quality = 0.95: HE22 GLN 61 + QE MET 31 OK 95 96 100 100 3.6-5.6 4213/5075=70...(10) Violated in 1 structures by 0.00 A. Peak 5931 from cnoeabs.peaks (7.46, 2.07, 32.66 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 61 + HB3 MET 31 OK 100 100 100 100 3.1-5.1 5910=100, 1.7/5911=89...(7) HE21 GLN 79 - HB VAL 76 far 8 54 15 - 4.0-9.9 Violated in 0 structures by 0.00 A. Peak 5932 from cnoeabs.peaks (7.44, 1.94, 32.66 ppm; 6.04 A increased from 5.69 A): 2 out of 2 assignments used, quality = 0.88: HE21 GLN 61 + HB2 MET 31 OK 84 85 100 100 3.9-6.0 5910/1.8=82, ~5911=80...(6) H LEU 64 + HB2 MET 31 OK 20 83 25 99 6.2-6.8 4.4/6121=88, 5082/4.3=65...(6) Violated in 0 structures by 0.00 A. Peak 5933 from cnoeabs.peaks (6.81, 1.76, 26.58 ppm; 5.68 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 55 + HG2 PRO 34 OK 100 100 100 100 3.6-4.9 4664/1.8=99, 4667/2.3=95...(18) HE22 GLN 61 + HG2 PRO 34 OK 61 83 75 99 4.8-6.8 4655/2.3=76, ~5764=64...(8) Violated in 0 structures by 0.00 A. Peak 5934 from cnoeabs.peaks (6.81, 1.04, 26.58 ppm; 5.82 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 55 + HG3 PRO 34 OK 100 100 100 100 3.9-4.7 4667/2.3=97, 4664=97...(17) HE22 GLN 61 + HG3 PRO 34 OK 37 83 45 99 5.0-6.5 4655/2.3=78, ~5764=67...(7) Violated in 0 structures by 0.00 A. Peak 5935 from cnoeabs.peaks (6.93, 4.32, 63.87 ppm; 6.47 A increased from 5.45 A): 1 out of 2 assignments used, quality = 0.95: QE PHE 35 + HA PRO 34 OK 95 95 100 100 6.2-6.2 4687/3.6=87, 4574/3.8=86...(9) HZ PHE 35 - HA PRO 34 far 0 93 0 - 7.9-7.9 Violated in 0 structures by 0.00 A. Peak 5936 from cnoeabs.peaks (2.60, 2.12, 32.41 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASP 38 + HB2 PRO 36 OK 88 90 100 97 2.8-5.0 4.0/4292=79, 4.7/4867=55...(7) HB3 ASP 38 + HB2 PRO 36 OK 86 89 100 97 3.3-4.9 4.0/4292=79, 4.7/4867=55...(8) HB3 ASP 24 - HB2 PRO 36 far 0 89 0 - 8.7-11.5 Violated in 0 structures by 0.00 A. Peak 5937 from cnoeabs.peaks (2.60, 2.09, 27.61 ppm; 5.96 A increased from 5.30 A): 4 out of 4 assignments used, quality = 0.97: HB2 ASP 38 + HG2 PRO 36 OK 78 81 100 97 3.6-6.1 4.0/4879=75, 5936/2.3=45...(7) HB3 ASP 38 + HG2 PRO 36 OK 76 78 100 97 4.2-6.1 4.0/4879=75, 5936/2.3=44...(6) HB2 ASP 38 + HG3 PRO 36 OK 38 80 55 87 4.3-6.8 5936/2.3=45, ~5936=35...(6) HB3 ASP 38 + HG3 PRO 36 OK 23 78 35 85 4.9-6.7 5936/2.3=44, ~5936=36...(5) Violated in 0 structures by 0.00 A. Peak 5938 from cnoeabs.peaks (2.97, 4.25, 57.41 ppm; 5.92 A): 2 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + HA LYS 39 OK 99 99 100 100 3.9-6.1 3.6/1837=97, 3.6/1836=93...(35) HE3 LYS 39 + HA LYS 39 OK 97 97 100 100 3.9-5.8 3.6/1837=97, 3.6/1836=93...(34) HE2 LYS 13 - HA LYS 39 far 0 100 0 - 8.1-35.6 HE3 LYS 13 - HA LYS 39 far 0 100 0 - 9.7-36.1 HE2 LYS 73 - HA LYS 39 far 0 90 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 5939 from cnoeabs.peaks (6.66, 1.55, 25.35 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 35 + HG2 LYS 39 OK 95 96 100 99 4.3-4.7 4650/4893=51...(13) Violated in 0 structures by 0.00 A. Peak 5940 from cnoeabs.peaks (6.65, 1.85, 32.41 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + HB2 LYS 39 OK 100 100 100 100 3.1-3.7 4657/129=83, 5939/2.9=74...(11) Violated in 0 structures by 0.00 A. Peak 5941 from cnoeabs.peaks (7.38, 1.58, 28.78 ppm; 5.70 A): 2 out of 2 assignments used, quality = 1.00: H LYS 39 + HD3 LYS 39 OK 96 96 100 100 3.3-4.7 598=96, 593/3.5=90...(24) H LYS 39 + HD2 LYS 39 OK 96 96 100 100 4.2-5.8 597/1.8=94, 593/3.5=90...(23) Violated in 0 structures by 0.00 A. Peak 5942 from cnoeabs.peaks (6.64, 1.58, 28.78 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 35 + HD3 LYS 39 OK 93 93 100 99 3.9-5.6 5940/3.5=51, 3.7/5944=43...(15) QD PHE 35 + HD2 LYS 39 OK 55 93 60 99 4.0-6.5 5940/3.5=51, 4659/3.0=34...(14) Violated in 0 structures by 0.00 A. Peak 5944 from cnoeabs.peaks (4.99, 1.58, 28.78 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.99: HA PHE 35 + HD3 LYS 39 OK 98 100 100 98 4.2-5.7 4252/4261=69...(11) HA PHE 35 + HD2 LYS 39 OK 40 100 45 88 5.1-7.2 4251/5209=31...(9) Violated in 0 structures by 0.00 A. Peak 5945 from cnoeabs.peaks (1.98, 1.58, 28.78 ppm; 5.52 A): 2 out of 17 assignments used, quality = 1.00: HG LEU 43 + HD2 LYS 39 OK 100 100 100 100 3.7-4.6 2.1/5214=98, 4390/5.0=62...(17) HG LEU 43 + HD3 LYS 39 OK 100 100 100 100 4.6-5.0 ~5214=93, 4390/5.0=62...(18) QE MET 31 - HD2 LYS 32 poor 14 64 50 44 4.9-8.0 5087/6.1=43 HG2 PRO 14 - HD2 LYS 32 far 7 65 10 - 4.2-29.8 HG3 PRO 14 - HD2 LYS 32 far 7 65 10 - 4.9-31.3 HG2 PRO 14 - HD3 LYS 32 far 6 60 10 - 3.4-29.0 HG3 PRO 14 - HD3 LYS 32 far 6 60 10 - 4.6-30.5 QE MET 31 - HD3 LYS 32 far 3 59 5 - 5.4-7.7 HB3 GLN 79 - HD3 LYS 73 far 0 61 0 - 6.3-13.7 HB2 GLN 79 - HD3 LYS 73 far 0 50 0 - 7.7-13.3 HB3 GLN 79 - HD2 LYS 73 far 0 61 0 - 7.8-14.8 HB3 MET 11 - HD2 LYS 32 far 0 44 0 - 7.8-36.7 HB2 GLN 79 - HD2 LYS 73 far 0 50 0 - 8.6-14.3 HB3 MET 11 - HD3 LYS 32 far 0 40 0 - 9.1-35.7 HG LEU 43 - HD2 LYS 73 far 0 65 0 - 9.2-13.3 HB2 LEU 64 - HD2 LYS 32 far 0 57 0 - 9.4-12.1 HG LEU 43 - HD3 LYS 73 far 0 65 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 5946 from cnoeabs.peaks (0.19, 1.23, 28.19 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + HG13 ILE 40 OK 100 100 100 100 2.5-3.3 4530/4320=76...(14) Violated in 0 structures by 0.00 A. Peak 5947 from cnoeabs.peaks (0.17, 1.90, 28.19 ppm; 6.02 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 51 + HG12 ILE 40 OK 90 90 100 100 3.3-4.0 5173/2.1=94, 4301/3.2=91...(14) Violated in 0 structures by 0.00 A. Peak 5948 from cnoeabs.peaks (1.57, 1.99, 26.77 ppm; 4.58 A): 3 out of 11 assignments used, quality = 0.99: HD2 LYS 39 + HG LEU 43 OK 95 96 100 99 3.7-4.6 5214/2.1=62, 5.0/4390=43...(16) HG2 LYS 39 + HG LEU 43 OK 76 76 100 100 2.6-4.1 ~5214=55, 4.1/4390=54...(16) HD3 LYS 39 + HG LEU 43 OK 43 97 45 100 4.6-5.0 ~5214=75, 5.0/4390=43...(17) HB3 LEU 51 - HG LEU 43 far 0 63 0 - 6.0-7.1 HB3 LEU 29 - HG2 PRO 14 far 0 59 0 - 7.2-23.8 HB3 LEU 29 - HG3 PRO 14 far 0 59 0 - 8.0-25.5 HB3 LEU 86 - HG3 PRO 14 far 0 60 0 - 8.0-69.9 HB3 LEU 86 - HG2 PRO 14 far 0 60 0 - 8.6-68.3 HG LEU 86 - HG3 PRO 14 far 0 34 0 - 8.8-70.0 HG LEU 86 - HG2 PRO 14 far 0 34 0 - 9.0-68.4 HG3 ARG 54 - HG LEU 43 far 0 100 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 5949 from cnoeabs.peaks (7.23, 1.31, 27.15 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.99: H ALA 53 + HG2 ARG 54 OK 99 99 100 100 4.4-5.3 926/678=93, 4963/3.0=82...(7) Violated in 0 structures by 0.00 A. Peak 5950 from cnoeabs.peaks (7.33, 1.58, 27.15 ppm; 5.45 A): 1 out of 2 assignments used, quality = 0.97: QD TYR 55 + HG3 ARG 54 OK 97 97 100 100 4.6-5.4 4634/3.0=91, 4968/1.8=79...(28) QD TYR 55 - HG LEU 62 far 0 85 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 5951 from cnoeabs.peaks (7.21, 1.58, 27.15 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: H ALA 53 + HG3 ARG 54 OK 100 100 100 100 4.0-6.5 926/2331=99, 4963/3.0=95...(6) H ALA 53 + HG LEU 62 OK 50 89 90 62 6.2-8.1 3866/5236=47, 4.6/2335=26 Violated in 0 structures by 0.00 A. Peak 5954 from cnoeabs.peaks (2.13, 0.71, 23.03 ppm; 5.64 A): 1 out of 2 assignments used, quality = 0.68: HG3 GLN 61 + QD2 LEU 57 OK 68 68 100 100 4.0-4.4 3.0/4985=93, 3.0/4602=89...(16) HB ILE 40 - QD2 LEU 57 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 5955 from cnoeabs.peaks (2.58, 0.71, 23.03 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.78: HG2 GLN 61 + QD2 LEU 57 OK 78 78 100 100 4.2-4.8 3.0/4985=89, 3.0/4602=84...(17) Violated in 0 structures by 0.00 A. Peak 5956 from cnoeabs.peaks (2.38, 1.00, 27.02 ppm; 5.63 A): 1 out of 3 assignments used, quality = 1.00: HB VAL 65 + QD1 LEU 57 OK 100 100 100 100 3.6-4.1 4707=100, 4998/6069=87...(13) HG2 GLU 59 - QD1 LEU 57 far 0 95 0 - 8.1-8.9 HG2 GLU 50 - QD1 LEU 57 far 0 92 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 5957 from cnoeabs.peaks (3.80, 0.93, 24.73 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 52 + QD2 LEU 62 OK 99 99 100 100 3.8-4.7 2257/5237=84...(9) Violated in 0 structures by 0.00 A. Peak 5958 from cnoeabs.peaks (3.18, 0.93, 24.73 ppm; 6.03 A increased from 5.36 A): 2 out of 4 assignments used, quality = 0.95: HD2 ARG 66 + QD2 LEU 62 OK 80 99 100 81 4.4-6.2 1.8/5099=80 HD3 ARG 66 + QD2 LEU 62 OK 77 100 100 77 4.2-6.1 5099=76 HD2 ARG 70 - QD2 LEU 62 far 0 73 0 - 9.1-14.4 HD3 ARG 70 - QD2 LEU 62 far 0 78 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 5959 from cnoeabs.peaks (3.46, 0.87, 24.45 ppm; 4.43 A): 0 out of 0 assignments used, quality = 0.00: Peak 5960 from cnoeabs.peaks (3.61, 0.87, 24.45 ppm; 4.54 A): 0 out of 2 assignments used, quality = 0.00: HD3 PRO 14 - QD1 LEU 29 far 0 95 0 - 6.2-22.0 HA VAL 65 - QD1 LEU 62 far 0 71 0 - 7.5-7.7 Violated in 20 structures by 2.91 A. Peak 5961 from cnoeabs.peaks (3.20, 0.87, 24.45 ppm; 4.71 A): 2 out of 6 assignments used, quality = 0.87: HD3 ARG 26 + QD1 LEU 29 OK 77 78 100 99 2.0-4.8 5832=94, 4.8/4187=27...(11) HD2 ARG 26 + QD1 LEU 29 OK 43 76 60 95 2.0-6.0 1.8/5832=77, 4.8/4187=27...(11) HD2 ARG 27 - QD1 LEU 29 far 0 63 0 - 6.0-8.7 HD3 ARG 27 - QD1 LEU 29 far 0 63 0 - 6.1-9.1 HD2 ARG 66 - QD1 LEU 62 far 0 99 0 - 6.3-8.2 HD3 ARG 66 - QD1 LEU 62 far 0 98 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 5962 from cnoeabs.peaks (8.14, 0.93, 24.73 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.98: H LEU 57 + QD2 LEU 62 OK 98 98 100 100 4.2-5.5 5747/2.1=91, 3.8/4599=75...(5) Violated in 0 structures by 0.00 A. Peak 5963 from cnoeabs.peaks (0.51, 2.39, 31.50 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 52 + HB VAL 65 OK 99 99 100 100 1.9-3.0 4728/2.1=99, 4726/2.1=99...(12) Violated in 0 structures by 0.00 A. Peak 5964 from cnoeabs.peaks (0.81, 1.23, 22.65 ppm; 4.83 A increased from 4.55 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 68 + QG1 VAL 65 OK 100 100 100 100 4.5-4.6 4298/5034=83...(15) QD1 LEU 43 - QG1 VAL 65 far 0 87 0 - 5.2-5.6 QG1 VAL 41 - QG1 VAL 65 far 0 90 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 5965 from cnoeabs.peaks (0.82, 1.21, 23.08 ppm; 3.83 A): 1 out of 5 assignments used, quality = 0.72: QD2 LEU 64 + QG2 VAL 65 OK 72 73 100 98 2.7-3.2 269/738=39, 3.1/4700=39...(16) QG2 ILE 68 - QG2 VAL 65 far 0 96 0 - 5.4-5.6 QD1 LEU 43 - QG2 VAL 65 far 0 98 0 - 6.9-7.3 QD2 LEU 29 - QG2 VAL 65 far 0 73 0 - 8.9-9.4 QG1 VAL 41 - QG2 VAL 65 far 0 71 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 5966 from cnoeabs.peaks (7.17, 1.70, 28.91 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 48 + HG3 ARG 66 OK 94 95 100 100 2.7-5.3 2.2/5967=81, 4604/4.1=70...(9) Violated in 0 structures by 0.00 A. Peak 5967 from cnoeabs.peaks (6.96, 1.70, 28.91 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.97: HZ PHE 48 + HG3 ARG 66 OK 97 97 100 100 2.5-4.6 5969/1.8=81...(8) HZ PHE 35 - HG3 ARG 66 far 0 95 0 - 7.7-8.9 QE PHE 35 - HG3 ARG 66 far 0 93 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 5968 from cnoeabs.peaks (7.12, 2.01, 28.91 ppm; 5.56 A): 0 out of 0 assignments used, quality = 0.00: Peak 5969 from cnoeabs.peaks (6.95, 2.01, 28.91 ppm; 5.27 A): 1 out of 4 assignments used, quality = 1.00: HZ PHE 48 + HG2 ARG 66 OK 100 100 100 100 2.7-4.2 4589/1.8=92...(8) HD22 ASN 42 - HB3 GLN 79 far 0 77 0 - 6.7-15.5 HZ PHE 35 - HG2 ARG 66 far 0 99 0 - 7.2-7.8 QE PHE 35 - HG2 ARG 66 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 5970 from cnoeabs.peaks (0.43, 1.70, 28.91 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 52 + HG3 ARG 66 OK 93 93 100 100 2.6-4.5 4956/1.8=84...(8) Violated in 0 structures by 0.00 A. Peak 5971 from cnoeabs.peaks (7.17, 3.19, 43.48 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.92: QE PHE 48 + HD2 ARG 66 OK 78 93 85 99 2.0-5.9 5966/3.0=65, ~4589=54...(7) QE PHE 48 + HD3 ARG 66 OK 64 93 70 99 2.7-5.8 5966/3.0=65, ~4589=54...(7) QE PHE 48 - HD2 ARG 70 far 0 78 0 - 6.1-9.9 QE PHE 48 - HD3 ARG 70 far 0 82 0 - 6.5-9.5 QE PHE 48 - HD3 ARG 71 far 0 48 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 5972 from cnoeabs.peaks (7.94, 3.19, 43.48 ppm; 5.21 A): 3 out of 29 assignments used, quality = 0.96: H ARG 70 + HD3 ARG 70 OK 82 87 95 100 3.4-5.9 770/3.0=79, 2872/3.0=71...(18) H ARG 70 + HD2 ARG 70 OK 67 83 80 100 3.1-6.0 770/3.0=79, 2872/3.0=71...(18) H ASP 67 + HD3 ARG 66 OK 24 95 25 100 5.3-6.6 278/3.4=78, 280/3.0=74...(11) H ASP 67 - HD3 ARG 70 poor 17 84 20 - 4.8-8.8 H ASP 67 - HD2 ARG 70 far 8 81 10 - 5.4-9.3 H LYS 32 - HD3 ARG 17 far 1 30 5 - 5.4-20.9 H ARG 70 - HD3 ARG 71 far 0 52 0 - 5.5-8.2 H ASP 67 - HD2 ARG 66 far 0 96 0 - 5.5-6.6 H LEU 29 - HD3 ARG 26 far 0 50 0 - 5.7-8.5 H LEU 29 - HD3 ARG 17 far 0 28 0 - 5.7-17.4 H LEU 29 - HD2 ARG 26 far 0 48 0 - 5.9-8.7 H ARG 70 - HD2 ARG 66 far 0 97 0 - 6.0-9.4 H ARG 70 - HD3 ARG 66 far 0 97 0 - 6.3-8.9 H LYS 32 - HD2 ARG 17 far 0 30 0 - 6.4-20.3 H LEU 29 - HD2 ARG 27 far 0 42 0 - 6.7-8.9 H LEU 29 - HD3 ARG 27 far 0 42 0 - 6.8-9.1 H ASP 67 - HD3 ARG 27 far 0 40 0 - 7.2-11.4 H ASP 67 - HD3 ARG 71 far 0 50 0 - 7.3-10.2 H LEU 29 - HD2 ARG 17 far 0 28 0 - 7.3-16.3 H ASP 67 - HD2 ARG 27 far 0 40 0 - 7.4-10.8 H VAL 76 - HD3 ARG 71 far 0 44 0 - 7.5-11.8 H VAL 76 - HD3 ARG 70 far 0 77 0 - 7.5-12.7 H LYS 32 - HD3 ARG 27 far 0 45 0 - 7.6-10.9 H VAL 76 - HD2 ARG 70 far 0 73 0 - 8.0-13.3 H LYS 32 - HD3 ARG 26 far 0 53 0 - 8.5-12.0 H LYS 32 - HD2 ARG 27 far 0 45 0 - 8.8-11.3 H ARG 70 - HD3 ARG 27 far 0 41 0 - 9.1-13.6 H LYS 32 - HD2 ARG 26 far 0 52 0 - 9.1-12.0 H ARG 70 - HD2 ARG 27 far 0 41 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 5973 from cnoeabs.peaks (1.83, 3.51, 65.41 ppm; 4.18 A): 2 out of 9 assignments used, quality = 0.75: HB2 ARG 71 + HA ILE 68 OK 59 78 80 94 2.0-5.2 4.0/15389=45...(10) HB3 ARG 71 + HA ILE 68 OK 39 76 55 94 2.9-4.9 4.0/5389=45, 2.8/5985=38...(9) HB2 ARG 69 - HA ILE 68 far 0 63 0 - 5.6-5.8 HB2 ARG 27 - HA ILE 68 far 0 78 0 - 5.9-7.5 HB3 ARG 27 - HA ILE 68 far 0 76 0 - 6.1-7.1 HB2 LYS 73 - HA ILE 68 far 0 99 0 - 7.1-8.2 HB2 LYS 75 - HA ILE 68 far 0 96 0 - 7.8-10.6 HB3 ARG 23 - HA ILE 68 far 0 89 0 - 8.5-10.8 HB2 ARG 23 - HA ILE 68 far 0 90 0 - 8.6-12.0 Violated in 2 structures by 0.03 A. Peak 5974 from cnoeabs.peaks (1.85, 0.78, 13.94 ppm; 3.85 A): 2 out of 13 assignments used, quality = 0.76: HB3 ARG 27 + QD1 ILE 68 OK 64 100 100 64 3.0-4.0 4.3/5909=31, 4.1/5377=12...(9) HB2 ARG 27 + QD1 ILE 68 OK 34 100 55 62 2.6-5.1 4.3/5909=31, 4.1/5377=12...(8) HB2 ARG 71 - QD1 ILE 68 far 0 100 0 - 5.4-8.0 HB3 ARG 71 - QD1 ILE 68 far 0 100 0 - 6.2-7.7 HB2 LYS 39 - QD1 ILE 68 far 0 100 0 - 6.7-7.6 HB2 ARG 26 - QD1 ILE 68 far 0 68 0 - 7.1-8.9 HB2 ARG 66 - QD1 ILE 68 far 0 78 0 - 7.1-8.0 HB3 ARG 26 - QD1 ILE 68 far 0 65 0 - 7.8-9.1 HB3 ARG 23 - QD1 ILE 68 far 0 99 0 - 8.1-9.9 HB2 ARG 23 - QD1 ILE 68 far 0 99 0 - 8.3-10.2 HB2 ARG 17 - QD1 ILE 68 far 0 93 0 - 8.9-17.1 HB2 LYS 75 - QD1 ILE 68 far 0 97 0 - 9.6-11.8 HB3 PRO 34 - QD1 ILE 68 far 0 83 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 5975 from cnoeabs.peaks (2.86, 1.92, 28.80 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.80: HB3 ASP 67 + HG13 ILE 68 OK 80 81 100 100 3.1-3.5 4.6/2770=78, 3.9/5817=70...(7) Violated in 0 structures by 0.00 A. Peak 5976 from cnoeabs.peaks (2.56, 1.92, 28.80 ppm; 5.81 A): 1 out of 2 assignments used, quality = 1.00: HB2 ASP 24 + HG13 ILE 68 OK 100 100 100 100 4.8-5.8 5508/1.8=99, 4760/2.1=97...(6) HB2 GLN 61 - HG13 ILE 68 far 0 57 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 5977 from cnoeabs.peaks (3.98, 2.03, 42.48 ppm; 5.58 A): 4 out of 6 assignments used, quality = 1.00: HA ARG 66 + HD2 ARG 69 OK 99 100 100 99 4.0-5.7 4733/3.9=76, 5047/3.9=76...(8) HA ARG 66 + HD3 ARG 69 OK 99 100 100 99 3.6-5.8 4733/3.9=76, 5047/3.9=76...(8) HA ARG 70 + HD3 ARG 69 OK 75 81 95 97 2.5-6.6 ~3943=55, ~5829=53...(8) HA ARG 70 + HD2 ARG 69 OK 31 81 40 97 3.0-6.7 ~3943=55, ~5829=53...(8) HA2 GLY 72 - HD3 ARG 69 far 0 87 0 - 6.4-10.6 HA2 GLY 72 - HD2 ARG 69 far 0 87 0 - 7.4-10.7 Violated in 0 structures by 0.00 A. Peak 5978 from cnoeabs.peaks (6.96, 1.80, 29.46 ppm; 5.68 A): 1 out of 3 assignments used, quality = 0.97: HZ PHE 48 + HB2 ARG 69 OK 97 97 100 100 2.9-3.9 4653=86, 4617/4303=82...(11) QE PHE 35 - HB2 ARG 69 far 0 93 0 - 6.6-8.4 HZ PHE 35 - HB2 ARG 69 far 0 95 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 5979 from cnoeabs.peaks (7.13, 1.80, 29.46 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.76: QE PHE 48 + HB2 ARG 69 OK 76 76 100 100 3.0-4.1 2.2/4653=83...(12) Violated in 0 structures by 0.00 A. Peak 5980 from cnoeabs.peaks (7.11, 1.39, 29.46 ppm; 6.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 5981 from cnoeabs.peaks (7.15, 1.24, 27.02 ppm; 5.78 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 48 + HG2 ARG 69 OK 100 100 100 100 4.8-5.4 4784/1.8=82, ~4653=62...(13) QE PHE 48 - HG13 ILE 33 far 0 63 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 5982 from cnoeabs.peaks (6.94, 1.24, 27.02 ppm; 5.77 A): 3 out of 6 assignments used, quality = 1.00: HZ PHE 48 + HG2 ARG 69 OK 99 99 100 100 5.4-6.0 4653/3.0=85, 2.2/5981=79...(13) QE PHE 35 + HG13 ILE 33 OK 63 63 100 100 4.6-4.8 4583/3.2=96, ~4567=70...(12) HZ PHE 35 + HG13 ILE 33 OK 62 62 100 99 5.3-5.6 4596/3.2=85, ~4583=70...(7) QE PHE 35 - HG2 ARG 69 far 0 100 0 - 8.7-10.0 HD22 ASN 42 - HG2 ARG 69 far 0 100 0 - 9.2-10.8 HZ PHE 48 - HG13 ILE 33 far 0 61 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 5983 from cnoeabs.peaks (1.39, 4.00, 58.60 ppm; 5.78 A increased from 4.62 A): 3 out of 7 assignments used, quality = 1.00: HB3 ARG 69 + HA ARG 70 OK 99 99 100 100 3.9-5.7 298/2.9=95, ~297=80...(10) HG3 ARG 69 + HA ARG 70 OK 96 96 100 100 4.8-6.0 3944/2.9=78, ~3943=74...(12) HG3 LYS 73 + HA ARG 70 OK 84 100 85 99 4.5-6.4 2.9/5061=88...(6) QB ALA 77 - HA ARG 70 far 5 95 5 - 6.0-8.2 HG3 LYS 75 - HA ARG 70 far 0 100 0 - 7.1-11.4 HG2 LYS 75 - HA ARG 70 far 0 100 0 - 8.4-11.5 QB ALA 78 - HA ARG 70 far 0 100 0 - 9.4-12.4 Violated in 0 structures by 0.00 A. Peak 5984 from cnoeabs.peaks (1.79, 4.00, 58.60 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.75: HB3 LYS 73 + HA ARG 70 OK 50 87 70 83 3.1-4.9 1.8/5061=60, 4.0/5987=48...(6) HB2 LYS 73 + HA ARG 70 OK 50 65 100 76 2.1-3.8 4.0/5987=48, 15061=43...(6) HB2 ARG 69 - HA ARG 70 poor 20 99 20 - 4.3-5.6 HB3 LYS 75 - HA ARG 70 far 0 99 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 5985 from cnoeabs.peaks (3.51, 1.75, 28.82 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 68 + HG3 ARG 71 OK 100 100 100 100 2.1-5.0 15389/779=82...(7) Violated in 0 structures by 0.00 A. Peak 5990 from cnoeabs.peaks (0.91, 2.78, 38.52 ppm; 6.50 A increased from 5.94 A): 2 out of 13 assignments used, quality = 0.71: QG2 VAL 76 + HB3 ASN 80 OK 52 58 90 100 2.8-6.9 6022/3.5=91, 6020/3.5=89...(5) QG1 VAL 76 + HB3 ASN 74 OK 40 92 80 54 5.8-7.2 5850/4.6=34, 815/5855=28 QG1 VAL 76 - HB2 ASN 74 poor 15 48 55 57 5.7-7.9 5850/4.6=34, 815/5855=33 QG1 VAL 76 - HB3 ASN 80 poor 14 58 25 - 4.8-8.6 QG2 VAL 76 - HB3 ASN 74 far 9 92 10 - 5.8-8.3 QG2 VAL 41 - HB3 ASN 74 far 9 60 15 - 6.7-8.4 QG2 VAL 76 - HB2 ASN 74 far 5 48 10 - 6.1-8.4 QG2 VAL 41 - HB2 ASN 74 far 4 28 15 - 6.4-8.1 QD1 LEU 86 - HB3 ASN 80 far 3 53 5 - 5.7-18.9 QG2 VAL 41 - HB3 ASN 80 far 0 34 0 - 8.9-13.2 QG2 ILE 40 - HB2 ASN 74 far 0 35 0 - 9.1-10.6 QG2 ILE 40 - HB3 ASN 74 far 0 73 0 - 9.2-11.2 HG12 ILE 68 - HB2 ASN 74 far 0 48 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 5991 from cnoeabs.peaks (8.27, 2.76, 38.61 ppm; 5.58 A): 1 out of 3 assignments used, quality = 0.90: H ASN 80 + HB3 ASN 80 OK 90 90 100 100 2.7-3.7 3.8=100 H ASN 80 - HB3 ASN 74 far 0 56 0 - 8.6-10.4 H LEU 86 - HB3 ASN 80 far 0 100 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 5993 from cnoeabs.peaks (8.23, 1.72, 32.59 ppm; 5.10 A): 1 out of 5 assignments used, quality = 0.60: H ARG 84 + HB3 LYS 83 OK 60 60 100 100 2.1-4.3 4.3=100 H ARG 84 - HB3 LYS 85 far 6 59 10 - 4.7-7.4 H GLN 79 - HB3 LYS 83 far 0 96 0 - 6.5-13.8 H GLN 79 - HB3 LYS 85 far 0 94 0 - 8.7-19.1 H ALA 77 - HB3 LYS 83 far 0 100 0 - 9.8-15.9 Violated in 0 structures by 0.00 A. Peak 5994 from cnoeabs.peaks (4.16, 3.15, 43.10 ppm; 4.68 A increased from 4.16 A): 3 out of 21 assignments used, quality = 1.00: HA ARG 82 + HD2 ARG 82 OK 91 92 100 99 2.2-4.9 4.9=87, 5885/3.0=80...(6) HA ARG 84 + HD3 ARG 84 OK 83 83 100 100 2.1-4.9 5.1=77, 2960/3.5=30...(39) HA ARG 84 + HD2 ARG 84 OK 70 83 85 100 2.1-5.5 5.1=77, 2960/3.5=30...(39) HB THR 15 - HD2 ARG 17 far 14 96 15 - 3.6-10.4 HB THR 15 - HD3 ARG 17 far 14 96 15 - 3.9-10.9 HA LEU 29 - HD3 ARG 17 far 5 96 5 - 3.5-18.2 HA LEU 29 - HD2 ARG 17 far 5 96 5 - 4.9-17.6 HA ARG 82 - HD3 ARG 84 far 0 96 0 - 5.4-10.8 HA ARG 82 - HD2 ARG 84 far 0 95 0 - 5.8-10.8 HA ALA 30 - HD3 ARG 26 far 0 34 0 - 5.9-9.4 HA ARG 84 - HD2 ARG 82 far 0 79 0 - 6.0-10.5 HA ALA 30 - HD2 ARG 26 far 0 35 0 - 6.7-9.6 HA ALA 30 - HD3 ARG 27 far 0 43 0 - 6.9-10.2 HA LEU 29 - HD3 ARG 26 far 0 67 0 - 7.0-10.3 HA ALA 30 - HD2 ARG 27 far 0 43 0 - 7.3-10.5 HA LEU 29 - HD2 ARG 26 far 0 70 0 - 7.3-10.8 HA LYS 73 - HD2 ARG 71 far 0 92 0 - 7.4-10.8 HA ALA 30 - HD3 ARG 17 far 0 54 0 - 8.0-22.3 HA ALA 30 - HD2 ARG 17 far 0 54 0 - 8.5-21.5 HA LEU 29 - HD3 ARG 27 far 0 82 0 - 8.8-11.2 HA LEU 29 - HD2 ARG 27 far 0 82 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 5995 from cnoeabs.peaks (8.26, 1.72, 32.58 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: H LEU 86 + HB3 LYS 85 OK 100 100 100 100 2.2-4.1 4.6=100 H LEU 86 - HB3 LYS 83 far 5 100 5 - 2.8-10.5 H ASN 80 - HB3 LYS 83 far 0 83 0 - 6.5-11.9 H VAL 90 - HB3 LYS 85 far 0 100 0 - 7.8-16.3 Violated in 0 structures by 0.00 A. Peak 5996 from cnoeabs.peaks (4.31, 2.21, 36.01 ppm; 4.48 A): 2 out of 13 assignments used, quality = 1.00: HA GLU 87 + HG2 GLU 87 OK 97 97 100 100 2.4-3.8 4.0=100 HA GLU 87 + HG3 GLU 87 OK 97 97 100 100 2.3-4.2 4.0=100 HA LEU 86 - HG2 GLU 87 poor 13 100 50 27 3.7-6.9 3.6/869=26 HA THR 88 - HG3 GLU 87 poor 11 68 35 46 3.6-6.8 3.0/5921=21, ~5921=17, ~4032=17 HA THR 88 - HG2 GLU 87 far 10 68 15 - 4.4-6.7 HA LEU 86 - HG3 GLU 87 far 10 100 10 - 4.0-6.9 HA ARG 17 - HG3 GLU 19 far 0 51 0 - 5.1-10.6 HA ALA 16 - HG2 GLU 19 far 0 90 0 - 5.2-13.0 HA ALA 16 - HG3 GLU 19 far 0 90 0 - 5.4-12.4 HA ARG 17 - HG2 GLU 19 far 0 51 0 - 5.5-9.4 HA ASP 38 - HG2 GLU 19 far 0 53 0 - 7.3-19.8 HA ASP 38 - HG3 GLU 19 far 0 53 0 - 7.6-20.0 HA PRO 34 - HG2 GLU 19 far 0 85 0 - 9.9-20.8 Violated in 0 structures by 0.00 A. Peak 5997 from cnoeabs.peaks (8.13, 4.28, 61.88 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: H THR 88 + HA THR 88 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 85 - HA THR 88 far 0 68 0 - 8.0-12.4 Violated in 0 structures by 0.00 A. Peak 5998 from cnoeabs.peaks (8.16, 0.84, 17.06 ppm; 5.47 A): 2 out of 2 assignments used, quality = 0.93: H ILE 89 + QG2 ILE 89 OK 90 90 100 100 1.9-3.9 4.0=100 H THR 88 + QG2 ILE 89 OK 25 68 70 53 4.4-6.6 ~5904=44, ~3588=15 Violated in 0 structures by 0.00 A. Peak 5999 from cnoeabs.peaks (6.79, 3.03, 38.06 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 81 + HB2 TYR 81 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 6000 from cnoeabs.peaks (6.79, 7.08, 133.08 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.98: * QE TYR 81 + QD TYR 81 OK 98 98 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.99: * QD TYR 81 + QE TYR 81 OK 99 99 100 100 2.2-2.2 2.2=100 QD PHE 48 - QE TYR 55 far 0 60 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. Peak 6003 from cnoeabs.peaks (6.79, 6.79, 117.91 ppm; diagonal): 2 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 1 assignment used, quality = 0.98: HA TYR 81 + QD TYR 81 OK 98 98 100 100 2.2-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 6006 from cnoeabs.peaks (3.03, 7.08, 133.08 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.98: HB2 TYR 81 + QD TYR 81 OK 98 98 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 6007 from cnoeabs.peaks (2.98, 7.08, 133.08 ppm; 5.72 A): 1 out of 3 assignments used, quality = 0.98: HB3 TYR 81 + QD TYR 81 OK 98 98 100 100 2.3-2.8 2.5=100 HE3 LYS 73 - QD TYR 81 far 0 66 0 - 6.9-14.4 HE2 LYS 73 - QD TYR 81 far 0 69 0 - 8.2-15.2 Violated in 0 structures by 0.00 A. Peak 6008 from cnoeabs.peaks (4.19, 6.79, 117.91 ppm; 5.33 A): 2 out of 7 assignments used, quality = 0.91: HA ALA 78 + QE TYR 81 OK 85 86 100 99 4.0-5.4 4675/2.2=77, 5862/4.4=58...(7) HA ARG 82 + QE TYR 81 OK 36 92 40 96 4.7-7.7 5868/2.2=73, 5886/4.4=54...(5) HA GLN 79 - QE TYR 81 far 10 97 10 - 4.1-9.0 HA ARG 84 - QE TYR 81 far 0 98 0 - 6.5-12.7 HA ALA 53 - QE TYR 55 far 0 37 0 - 8.0-8.2 HB THR 15 - QE TYR 55 far 0 43 0 - 8.4-23.4 HA LYS 73 - QE TYR 81 far 0 95 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 6009 from cnoeabs.peaks (4.08, 2.78, 38.52 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.96: * HA ARG 71 + HB3 ASN 74 OK 92 100 100 92 2.4-5.0 6078/3.5=59, 5836/1.8=50...(7) HA ARG 71 + HB2 ASN 74 OK 52 57 100 91 2.4-4.8 6078/3.5=59, 5836=50...(6) Violated in 0 structures by 0.00 A. Peak 6010 from cnoeabs.peaks (4.08, 2.81, 38.52 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.95: * HA ARG 71 + HB2 ASN 74 OK 90 100 100 90 2.4-4.8 6078/3.5=57, 5836=48...(6) HA ARG 71 + HB3 ASN 74 OK 52 57 100 90 2.4-5.0 6078/3.5=57, 5836/1.8=49...(6) Violated in 0 structures by 0.00 A. Peak 6011 from cnoeabs.peaks (3.97, 1.97, 28.98 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.97: * HA VAL 76 + HB2 GLN 79 OK 96 100 100 96 3.1-4.8 6044=81, 5852/3.0=37...(7) HA VAL 76 + HB3 GLN 79 OK 26 63 45 91 3.4-6.1 6044/1.8=66, 5852/3.0=37...(6) HA2 GLY 72 - HB3 GLN 79 far 0 62 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 6012 from cnoeabs.peaks (4.61, 2.76, 38.61 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.99: HA ASN 80 + HB3 ASN 80 OK 97 97 100 100 2.5-3.0 3.0=100 HA ASN 74 + HB3 ASN 74 OK 68 68 100 100 2.3-3.0 3.0=100 HA ASN 74 - HB3 ASN 80 far 0 100 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 6031 from cnoeabs.peaks (3.97, 1.84, 32.59 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.97: HA VAL 76 + HB2 LYS 75 OK 80 100 80 100 4.1-5.5 3.0/340=83, 5853=66...(14) * HA2 GLY 72 + HB2 LYS 75 OK 78 100 100 78 3.6-4.7 15851/803=51, 5844=43...(4) HA2 GLY 72 + HB2 LYS 73 OK 29 75 45 86 4.7-5.7 3.6/787=68, 5844=25...(6) HA VAL 76 - HB2 LYS 73 far 0 77 0 - 7.8-8.8 HA ARG 66 - HB2 LYS 73 far 0 73 0 - 8.2-9.6 HA ALA 28 - HB2 LYS 39 far 0 82 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6032 from cnoeabs.peaks (3.96, 1.79, 32.59 ppm; 5.19 A): 1 out of 9 assignments used, quality = 0.85: * HA2 GLY 72 + HB3 LYS 75 OK 85 100 100 85 3.2-5.2 15851/4.0=59...(3) HA VAL 76 - HB3 LYS 75 poor 20 100 20 - 4.1-5.8 HA THR 37 - HB3 LYS 39 far 3 56 5 - 5.2-6.3 HA2 GLY 72 - HB3 LYS 73 far 0 93 0 - 5.6-6.5 HA LYS 32 - HB2 LYS 13 far 0 81 0 - 6.3-23.3 HA VAL 76 - HB3 LYS 73 far 0 91 0 - 7.0-8.1 HA VAL 76 - HB2 LYS 83 far 0 99 0 - 9.1-18.0 HA ARG 66 - HB3 LYS 73 far 0 82 0 - 9.2-11.1 HA VAL 76 - HB2 LYS 85 far 0 91 0 - 9.6-24.2 Violated in 1 structures by 0.00 A. Peak 6033 from cnoeabs.peaks (8.09, 3.74, 46.02 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.99: H LYS 75 + HA3 GLY 72 OK 92 100 100 92 3.3-5.2 15851/1.8=88...(3) H ARG 71 + HA3 GLY 72 OK 86 89 100 97 4.6-5.5 942/3.0=86, 6034/1.8=39...(7) Violated in 0 structures by 0.00 A. Peak 6034 from cnoeabs.peaks (8.10, 3.96, 46.02 ppm; 5.43 A): 2 out of 2 assignments used, quality = 1.00: H LYS 75 + HA2 GLY 72 OK 99 99 100 100 3.6-4.9 15851=99, 803/16031=71...(5) H ARG 71 + HA2 GLY 72 OK 98 99 100 99 4.6-5.5 942/3.0=96, 6033/1.8=38...(6) Violated in 0 structures by 0.00 A. Peak 6036 from cnoeabs.peaks (1.83, 3.74, 46.02 ppm; 4.93 A): 4 out of 10 assignments used, quality = 0.94: HB2 LYS 75 + HA3 GLY 72 OK 57 90 65 97 2.9-6.3 16031/1.8=76, ~16032=57...(5) HB2 ARG 71 + HA3 GLY 72 OK 57 68 90 92 4.2-6.0 ~5841=41, ~314=32...(7) HB2 LYS 73 + HA3 GLY 72 OK 52 100 55 95 4.6-5.7 787/3.6=86, 5262/4338=37...(5) HB3 ARG 71 + HA3 GLY 72 OK 36 65 60 92 3.9-5.9 ~5841=41, ~313=31...(7) HB2 ARG 69 - HA3 GLY 72 far 0 73 0 - 6.0-8.8 HB2 ARG 23 - HA3 GLY 72 far 0 83 0 - 8.2-13.5 HB3 ARG 23 - HA3 GLY 72 far 0 81 0 - 9.0-12.6 HB2 ARG 27 - HA3 GLY 72 far 0 68 0 - 9.4-11.6 HB2 LYS 39 - HA3 GLY 72 far 0 63 0 - 9.9-12.4 HB3 ARG 27 - HA3 GLY 72 far 0 65 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 6037 from cnoeabs.peaks (2.04, 4.18, 56.67 ppm; 4.69 A increased from 4.17 A): 1 out of 9 assignments used, quality = 0.99: * HB VAL 76 + HA LYS 73 OK 99 99 100 100 3.1-4.6 15432=100, 2.1/5430=76...(4) HD3 ARG 69 - HA LYS 73 far 0 91 0 - 6.0-9.7 HB3 GLU 19 - HA LEU 29 far 0 68 0 - 6.0-17.4 HB3 MET 31 - HA LEU 29 far 0 41 0 - 6.9-7.3 HB3 GLU 25 - HA LEU 29 far 0 65 0 - 7.0-7.4 HD2 ARG 69 - HA LYS 73 far 0 91 0 - 7.0-9.8 HB2 GLU 87 - HA ARG 84 far 0 89 0 - 7.7-12.3 HB2 GLU 25 - HA LEU 29 far 0 66 0 - 8.6-8.9 HB VAL 45 - HA LYS 73 far 0 78 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 6038 from cnoeabs.peaks (7.96, 4.18, 56.67 ppm; 3.52 A): 4 out of 6 assignments used, quality = 0.96: H VAL 76 + HA LYS 73 OK 74 99 95 79 3.1-3.9 5431=39, 815/5430=39...(4) H LEU 29 + HA LEU 29 OK 68 68 100 100 2.8-2.8 3.0=100 H ALA 30 + HA LEU 29 OK 44 44 100 100 3.5-3.5 3.6=96, 908/3.0=49...(12) H LYS 32 + HA LEU 29 OK 24 55 100 44 3.1-3.6 4.6/5179=13, 910/5526=13...(5) H ARG 70 - HA LYS 73 far 0 98 0 - 7.0-7.9 H ARG 69 - HA LYS 73 far 0 71 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 6040 from cnoeabs.peaks (4.62, 1.38, 18.78 ppm; 3.44 A): 1 out of 7 assignments used, quality = 0.95: * HA ASN 74 + QB ALA 77 OK 95 100 100 95 1.9-3.2 6041=84, 16039/2.9=31...(8) HA PRO 36 - QB ALA 20 far 5 98 5 - 3.0-13.6 HA ASN 74 - QB ALA 78 far 0 92 0 - 4.7-7.6 HA ASN 80 - QB ALA 77 far 0 99 0 - 5.7-6.7 HA ASN 80 - QB ALA 78 far 0 90 0 - 6.3-6.8 HA PRO 36 - QB ALA 16 far 0 59 0 - 6.4-17.5 HA ASN 80 - QB ALA 16 far 0 60 0 - 9.0-36.8 Violated in 0 structures by 0.00 A. Peak 6041 from cnoeabs.peaks (1.38, 4.62, 53.40 ppm; 3.64 A): 1 out of 13 assignments used, quality = 1.00: * QB ALA 77 + HA ASN 74 OK 100 100 100 100 1.9-3.2 16040=100, 2.9/6039=36...(8) HG3 LYS 73 - HA ASN 74 far 0 96 0 - 4.5-6.7 QB ALA 78 - HA ASN 74 far 0 96 0 - 4.7-7.6 HG2 LYS 83 - HA ASN 80 far 0 97 0 - 5.0-12.6 HG3 LYS 75 - HA ASN 74 far 0 93 0 - 5.3-7.8 QB ALA 77 - HA ASN 80 far 0 99 0 - 5.7-6.7 HG2 LYS 75 - HA ASN 74 far 0 93 0 - 5.9-7.5 QB ALA 78 - HA ASN 80 far 0 93 0 - 6.3-6.8 HG3 LYS 73 - HA ASN 80 far 0 93 0 - 8.0-13.5 HG3 ARG 69 - HA ASN 74 far 0 100 0 - 8.5-11.3 QB ALA 16 - HA ASN 80 far 0 88 0 - 9.0-36.8 HB3 ARG 69 - HA ASN 74 far 0 85 0 - 9.6-11.3 HG2 LYS 75 - HA ASN 80 far 0 91 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 6044 from cnoeabs.peaks (1.97, 3.97, 62.83 ppm; 4.73 A increased from 4.20 A): 2 out of 2 assignments used, quality = 0.99: * HB2 GLN 79 + HA VAL 76 OK 99 100 100 99 3.1-4.8 16011=94, 3.0/5852=36...(7) HB3 GLN 79 + HA VAL 76 OK 24 63 40 94 3.4-6.1 1.8/16011=77...(6) Violated in 0 structures by 0.00 A. Peak 6046 from cnoeabs.peaks (2.75, 4.23, 52.70 ppm; 4.78 A increased from 4.50 A): 1 out of 3 assignments used, quality = 0.99: HB3 ASN 80 + HA ALA 77 OK 99 99 100 100 2.8-4.6 15875=99, 1.8/5859=92...(7) HB3 ASN 80 - HA ALA 78 far 0 52 0 - 5.5-7.5 HB2 ASN 42 - HA ALA 20 far 0 49 0 - 9.1-21.5 Violated in 0 structures by 0.00 A. Peak 6048 from cnoeabs.peaks (7.08, 4.21, 52.88 ppm; 5.03 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 81 + HA ALA 78 OK 100 100 100 100 2.1-3.8 2.5/5862=83, 2.5/6049=80...(9) QD TYR 81 + HA ALA 77 OK 25 57 65 68 4.1-7.2 4685/2.1=39, ~4686=26...(4) Violated in 0 structures by 0.00 A. Peak 6049 from cnoeabs.peaks (2.98, 4.21, 52.88 ppm; 4.67 A): 1 out of 10 assignments used, quality = 1.00: HB3 TYR 81 + HA ALA 78 OK 100 100 100 100 2.2-3.0 15459=98, 1.8/5862=83...(6) HB3 TYR 81 - HA ALA 77 far 6 57 10 - 4.7-5.9 HE3 LYS 73 - HA ALA 77 far 3 33 10 - 4.3-9.3 HE2 LYS 73 - HA ALA 77 far 2 35 5 - 4.3-9.4 HE2 LYS 75 - HA ALA 78 far 0 90 0 - 7.8-13.0 HE3 LYS 75 - HA ALA 78 far 0 89 0 - 8.0-13.1 HE3 LYS 73 - HA ALA 78 far 0 71 0 - 8.4-13.6 HE2 LYS 75 - HA ALA 77 far 0 46 0 - 8.9-11.7 HE2 LYS 73 - HA ALA 78 far 0 73 0 - 9.0-14.0 HE3 LYS 75 - HA ALA 77 far 0 45 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 6050 from cnoeabs.peaks (8.04, 4.20, 56.12 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.74: H ARG 82 + HA ARG 82 OK 74 74 100 100 2.3-2.9 3.0=100 H TYR 81 - HA GLN 79 lone 13 100 95 13 3.6-5.9 5882=10, 3.9/5459=2 H ARG 82 - HA GLN 79 far 5 100 5 - 4.1-8.0 H TYR 81 - HA ARG 82 far 0 74 0 - 5.2-6.3 Violated in 0 structures by 0.00 A. Peak 6051 from cnoeabs.peaks (1.77, 4.20, 56.12 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.73: HB3 ARG 82 + HA ARG 82 OK 73 73 100 100 2.4-3.0 3.0=100 HB2 LYS 83 - HA GLN 79 far 5 95 5 - 3.3-13.5 HB2 LYS 83 - HA ARG 82 far 0 65 0 - 4.2-5.8 HB3 ARG 82 - HA GLN 79 far 0 100 0 - 5.7-10.0 HB3 LYS 75 - HA GLN 79 far 0 85 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 6052 from cnoeabs.peaks (2.75, 4.62, 53.37 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASN 80 + HA ASN 80 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASN 74 + HA ASN 74 OK 59 59 100 100 2.3-3.0 3.0=100 HB3 ASN 80 - HA ASN 74 far 0 99 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 6053 from cnoeabs.peaks (1.77, 4.62, 53.37 ppm; 4.51 A): 1 out of 10 assignments used, quality = 0.83: HB3 LYS 73 + HA ASN 74 OK 83 99 100 84 3.8-4.0 325/3.0=58, ~324=49...(4) HB2 LYS 83 - HA ASN 80 far 10 99 10 - 4.2-12.3 HB3 ARG 82 - HA ASN 80 far 5 98 5 - 4.4-8.7 HB3 LYS 75 - HA ASN 74 far 0 93 0 - 5.6-6.1 HB3 ARG 84 - HA ASN 80 far 0 63 0 - 7.0-14.5 HG3 ARG 71 - HA ASN 74 far 0 74 0 - 7.5-9.8 HB3 LYS 73 - HA ASN 80 far 0 100 0 - 8.5-12.6 HB2 LYS 85 - HA ASN 80 far 0 63 0 - 9.2-18.9 HB2 ARG 69 - HA ASN 74 far 0 61 0 - 9.5-11.4 HB3 ARG 84 - HA ASN 74 far 0 61 0 - 9.6-20.5 Violated in 0 structures by 0.00 A. 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; 5.58 A): 0 out of 1 assignment used, quality = 0.00: HA ASN 80 - HB3 LYS 83 far 5 96 5 - 4.7-11.8 Violated in 19 structures by 3.33 A. Peak 6058 from cnoeabs.peaks (4.46, 1.80, 30.41 ppm; 5.08 A): 0 out of 4 assignments used, quality = 0.00: HA PRO 14 - HB3 LYS 32 far 2 45 5 - 4.3-28.3 HA PRO 14 - HB2 LYS 32 far 0 45 0 - 5.6-28.8 HA TYR 81 - HB3 ARG 84 far 0 100 0 - 7.4-12.5 HA PRO 14 - HB2 PRO 34 far 0 65 0 - 8.8-27.6 Violated in 19 structures by 3.90 A. Peak 6059 from cnoeabs.peaks (1.81, 4.46, 58.30 ppm; 5.65 A): 0 out of 3 assignments used, quality = 0.00: HB2 LYS 83 - HA TYR 81 poor 14 68 20 - 4.7-9.5 HB3 ARG 84 - HA TYR 81 far 0 100 0 - 7.4-12.5 HB2 LYS 85 - HA TYR 81 far 0 100 0 - 9.0-15.2 Violated in 16 structures by 1.38 A. Peak 6060 from cnoeabs.peaks (8.19, 4.46, 58.30 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.98: H GLU 25 + HA SER 22 OK 92 93 100 99 4.3-4.8 5085/3.0=72, 521/4153=66...(6) H SER 22 + HA SER 22 OK 81 81 100 100 2.8-2.9 2.9=100 H GLN 79 - HA TYR 81 far 0 78 0 - 6.0-7.0 H ARG 27 - HA SER 22 far 0 83 0 - 7.0-8.7 H ARG 84 - HA TYR 81 far 0 100 0 - 7.4-9.5 H ALA 28 - HA SER 22 far 0 77 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 6061 from cnoeabs.peaks (4.18, 1.80, 32.58 ppm; 3.17 A): 2 out of 18 assignments used, quality = 0.91: HA LYS 73 + HB2 LYS 73 OK 76 76 100 100 2.6-2.9 3.0=100 HA LYS 73 + HB3 LYS 73 OK 64 64 100 100 2.8-3.0 3.0=100 HA GLN 79 - HB2 LYS 83 far 4 72 5 - 3.3-13.5 HA ARG 82 - HB2 LYS 83 far 0 77 0 - 4.2-5.8 HA ARG 84 - HB2 LYS 85 far 0 100 0 - 4.3-5.7 HB THR 15 - HB2 LYS 13 far 0 69 0 - 4.3-8.8 HA LYS 73 - HB3 LYS 75 far 0 90 0 - 4.5-6.5 HA ARG 84 - HB2 LYS 83 far 0 81 0 - 4.5-6.0 HA ALA 78 - HB2 LYS 83 far 0 56 0 - 5.2-12.4 HA GLN 79 - HB2 LYS 85 far 0 95 0 - 5.2-19.0 HA ARG 82 - HB2 LYS 85 far 0 99 0 - 7.1-12.5 HA LEU 29 - HB2 LYS 13 far 0 55 0 - 7.9-22.7 HA ALA 78 - HB3 LYS 75 far 0 66 0 - 7.9-11.8 HA ALA 78 - HB3 LYS 73 far 0 45 0 - 8.6-10.8 HA ILE 89 - HB2 LYS 85 far 0 92 0 - 8.9-15.8 HB THR 15 - HB3 LYS 39 far 0 60 0 - 9.0-27.7 HA ALA 78 - HB2 LYS 85 far 0 78 0 - 9.2-19.0 HA GLN 79 - HB3 LYS 75 far 0 83 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 6062 from cnoeabs.peaks (4.18, 1.72, 32.58 ppm; 3.86 A): 0 out of 8 assignments used, quality = 0.00: HA ARG 84 - HB3 LYS 83 far 0 99 0 - 4.2-5.8 HA ARG 84 - HB3 LYS 85 far 0 99 0 - 4.3-6.5 HA ARG 82 - HB3 LYS 83 far 0 100 0 - 4.4-6.6 HA GLN 79 - HB3 LYS 83 far 0 83 0 - 4.5-14.0 HA ALA 78 - HB3 LYS 83 far 0 61 0 - 6.5-13.3 HA GLN 79 - HB3 LYS 85 far 0 85 0 - 6.6-17.6 HA ILE 89 - HB3 LYS 85 far 0 98 0 - 7.2-15.0 HA ARG 82 - HB3 LYS 85 far 0 100 0 - 7.8-12.4 Violated in 18 structures by 0.22 A. Peak 6065 from cnoeabs.peaks (7.46, 1.77, 30.20 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: HE21 GLN 61 + HB2 LYS 32 OK 98 99 100 100 3.1-4.8 4667=95, 1.7/4670=86...(9) HE21 GLN 61 + HB3 LYS 32 OK 83 99 85 99 4.2-5.9 4667/1.8=92, ~4670=73...(9) HE21 GLN 61 - HB2 PRO 34 far 0 62 0 - 5.8-8.0 HE21 GLN 79 - HB3 ARG 82 far 0 75 0 - 7.4-13.7 HE21 GLN 79 - HB3 ARG 84 far 0 45 0 - 7.5-18.8 Violated in 0 structures by 0.00 A. Peak 6066 from cnoeabs.peaks (1.58, 2.91, 38.77 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.99: HD3 LYS 39 + HB3 PHE 35 OK 94 99 95 99 3.3-5.8 4261/4258=57, ~5939=46...(14) HD2 LYS 39 + HB3 PHE 35 OK 72 99 75 97 3.7-6.8 ~5939=46, ~5944=35...(13) HG2 LYS 39 + HB3 PHE 35 OK 46 63 75 97 4.0-5.7 5939/2.6=48, ~5940=41...(11) HB3 ARG 54 - HB3 PHE 35 far 0 63 0 - 6.7-7.4 HB3 LEU 51 - HB3 PHE 35 far 0 76 0 - 6.9-7.4 HG3 ARG 54 - HB3 PHE 35 far 0 100 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 6067 from cnoeabs.peaks (1.58, 2.85, 38.77 ppm; 5.67 A): 3 out of 8 assignments used, quality = 1.00: HD3 LYS 39 + HB2 PHE 35 OK 100 100 100 100 2.2-4.4 4261/4260=59, ~5939=53...(15) HD2 LYS 39 + HB2 PHE 35 OK 99 100 100 99 2.8-5.6 ~5939=53, ~5944=40...(14) HB3 LEU 51 + HB3 PHE 48 OK 45 45 100 100 4.7-5.0 4464/3.0=90, ~4466=69...(13) HB3 LEU 51 - HB2 PHE 35 far 0 85 0 - 6.8-7.4 HD2 LYS 39 - HB3 PHE 48 far 0 60 0 - 7.5-8.9 HD3 LYS 39 - HB3 PHE 48 far 0 61 0 - 8.5-9.6 HG3 ARG 54 - HB2 PHE 35 far 0 100 0 - 8.9-11.1 HG3 ARG 54 - HB3 PHE 48 far 0 60 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 6068 from cnoeabs.peaks (1.21, 0.62, 23.89 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.96: HG LEU 52 + QD1 LEU 51 OK 66 97 70 98 5.3-5.7 668/4.6=73, 5690/663=53...(7) QG1 VAL 65 + QD1 LEU 51 OK 64 68 100 94 4.4-5.4 6104/2.1=47...(9) HG13 ILE 40 + QD1 LEU 51 OK 64 71 90 100 4.9-5.7 4562/4534=81, ~5173=57...(11) QG2 VAL 65 - QD1 LEU 51 far 5 99 5 - 5.4-6.3 QG2 THR 15 - QD1 LEU 51 far 0 92 0 - 6.9-20.7 HG13 ILE 33 - QD1 LEU 51 far 0 95 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 6069 from cnoeabs.peaks (1.00, 3.92, 57.93 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 57 + HA LEU 62 OK 100 100 100 100 2.5-3.2 4608=85, 4613/4547=40...(16) Violated in 0 structures by 0.00 A. Peak 6070 from cnoeabs.peaks (0.72, 3.92, 57.93 ppm; 5.43 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + HA LEU 62 OK 97 97 100 100 4.2-5.0 2.1/6069=99...(12) QD1 ILE 33 + HA LEU 62 OK 89 92 100 97 5.0-5.6 5795/4720=63...(5) Violated in 0 structures by 0.00 A. Peak 6071 from cnoeabs.peaks (0.79, 4.26, 57.87 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.95: QD1 ILE 68 + HA LEU 64 OK 95 96 100 100 4.2-4.5 5252/3.0=72...(6) QG2 ILE 68 - HA LEU 64 far 0 90 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 6072 from cnoeabs.peaks (7.16, 3.98, 60.19 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 48 + HA ARG 66 OK 99 99 100 100 3.1-3.7 2.2/4605=94, 4604=80...(14) Violated in 0 structures by 0.00 A. Peak 6073 from cnoeabs.peaks (3.58, 2.03, 42.48 ppm; 5.97 A increased from 5.02 A): 2 out of 2 assignments used, quality = 1.00: HA VAL 41 + HD2 ARG 69 OK 100 100 100 100 4.2-6.1 5253/3.0=92, 4342/3.0=90...(12) HA VAL 41 + HD3 ARG 69 OK 100 100 100 100 4.9-6.2 5253/3.0=92, 4342/3.0=90...(12) Violated in 0 structures by 0.00 A. Peak 6075 from cnoeabs.peaks (2.95, 1.77, 30.20 ppm; 5.45 A): 5 out of 19 assignments used, quality = 1.00: HE2 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.0-4.8 4.6=100 HE3 LYS 32 + HB3 LYS 32 OK 100 100 100 100 2.3-5.1 4.6=100 HE3 LYS 32 + HB2 LYS 32 OK 100 100 100 100 2.6-5.1 4.6=100 HE2 LYS 32 + HB3 LYS 32 OK 100 100 100 100 3.3-5.1 4.6=100 HB3 TYR 55 + HB2 PRO 34 OK 55 55 100 100 3.9-4.6 4863/2.3=72, ~4666=70...(15) HB3 TYR 81 - HB3 ARG 82 poor 19 48 40 - 5.3-6.7 HE3 LYS 13 - HB3 LYS 32 far 9 95 10 - 3.4-25.3 HE2 LYS 13 - HB3 LYS 32 far 9 93 10 - 4.0-23.8 HE3 LYS 13 - HB2 LYS 32 far 5 95 5 - 4.8-26.4 HE2 LYS 13 - HB2 LYS 32 far 5 93 5 - 5.5-25.6 HB3 TYR 81 - HB3 ARG 84 far 1 27 5 - 4.8-13.7 HE2 LYS 39 - HB2 PRO 34 far 0 40 0 - 6.8-11.8 HE3 LYS 13 - HB2 PRO 34 far 0 57 0 - 7.5-27.1 HE3 LYS 39 - HB2 PRO 34 far 0 37 0 - 7.9-11.8 HE2 LYS 13 - HB2 PRO 34 far 0 55 0 - 8.0-26.0 HE3 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.1-12.7 HB3 TYR 55 - HB2 LYS 32 far 0 93 0 - 8.7-9.2 HB3 TYR 55 - HB3 LYS 32 far 0 93 0 - 8.8-9.6 HE2 LYS 32 - HB2 PRO 34 far 0 65 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 6080 from cnoeabs.peaks (6.84, 2.91, 38.77 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.71: QE TYR 55 + HB3 PHE 35 OK 71 71 100 100 3.4-4.1 ~4601=76, ~4629=76...(8) HE22 GLN 61 - HB3 PHE 35 far 0 98 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 6081 from cnoeabs.peaks (7.52, 4.25, 57.41 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.99: H LEU 43 + HA LYS 39 OK 99 99 100 100 3.2-4.0 4371=96, 623/4390=59...(7) H LEU 51 - HA LYS 39 far 0 87 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 6082 from cnoeabs.peaks (7.62, 4.25, 57.41 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: H VAL 41 + HA LYS 39 OK 99 99 100 99 3.9-4.5 915/3.6=79, 5593/3.0=64...(6) HD21 ASN 42 + HA LYS 39 OK 82 100 100 82 4.0-5.0 5089/5790=49...(4) Violated in 0 structures by 0.00 A. Peak 6085 from cnoeabs.peaks (0.17, 1.58, 28.78 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.96: QD2 LEU 51 + HD2 LYS 39 OK 81 81 100 100 2.6-5.0 4917/5214=84...(19) QD2 LEU 51 + HD3 LYS 39 OK 80 81 100 100 3.5-5.0 6087/3.0=51, 5205/3.5=48...(20) QD2 LEU 51 - HD3 LYS 73 far 0 44 0 - 9.0-12.8 QD2 LEU 51 - HD2 LYS 73 far 0 44 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 6086 from cnoeabs.peaks (0.65, 1.58, 28.78 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.94: QD1 LEU 51 + HD3 LYS 39 OK 76 81 95 100 3.8-5.5 6094/3.0=51, ~6087=45...(16) QD1 LEU 51 + HD2 LYS 39 OK 76 81 95 99 3.0-5.5 6094/3.0=51, ~6087=45...(16) Violated in 0 structures by 0.00 A. Peak 6087 from cnoeabs.peaks (0.18, 1.55, 25.35 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 51 + HG2 LYS 39 OK 99 99 100 100 2.7-3.1 5205/2.9=75, 5204/2.9=66...(17) Violated in 0 structures by 0.00 A. Peak 6088 from cnoeabs.peaks (0.64, 2.98, 41.78 ppm; 5.18 A increased from 4.61 A): 2 out of 3 assignments used, quality = 0.94: QD1 LEU 51 + HE2 LYS 39 OK 77 89 90 97 2.6-5.7 6094/3.6=52, 2.1/4948=36...(9) QD1 LEU 51 + HE3 LYS 39 OK 73 88 85 97 2.2-6.0 6094/3.6=52, 6093/3.6=35...(9) QD1 LEU 51 - HE2 LYS 13 far 0 80 0 - 9.6-26.5 Violated in 0 structures by 0.00 A. Peak 6089 from cnoeabs.peaks (3.56, 2.98, 41.78 ppm; 4.83 A increased from 4.29 A): 2 out of 15 assignments used, quality = 0.97: HD3 PRO 36 + HE3 LYS 39 OK 89 99 90 99 3.5-5.4 5208/3.6=50, ~4261=49...(15) HD3 PRO 36 + HE2 LYS 39 OK 74 99 75 99 2.9-5.4 5208/3.6=50, ~4261=49...(15) HA VAL 41 - HE2 LYS 73 far 5 53 10 - 4.3-8.0 HA VAL 41 - HE3 LYS 73 far 0 50 0 - 5.2-8.9 HD3 PRO 34 - HE3 LYS 13 far 0 70 0 - 5.8-26.2 HD3 PRO 34 - HE3 LYS 32 far 0 52 0 - 6.6-9.7 HD3 PRO 34 - HE2 LYS 32 far 0 50 0 - 6.7-9.6 HD3 PRO 34 - HE2 LYS 13 far 0 71 0 - 7.1-25.1 HD3 PRO 36 - HE3 LYS 13 far 0 89 0 - 8.6-30.5 HA VAL 41 - HE2 LYS 75 far 0 70 0 - 8.6-13.6 HD3 PRO 34 - HE2 LYS 39 far 0 83 0 - 8.8-12.8 HA VAL 41 - HE3 LYS 75 far 0 68 0 - 8.8-13.8 HA VAL 41 - HE3 LYS 39 far 0 87 0 - 9.0-11.3 HA VAL 41 - HE2 LYS 39 far 0 87 0 - 9.2-11.1 HD3 PRO 36 - HE2 LYS 13 far 0 91 0 - 9.6-29.9 Violated in 0 structures by 0.00 A. Peak 6090 from cnoeabs.peaks (4.22, 2.98, 41.78 ppm; 5.36 A increased from 4.29 A): 4 out of 33 assignments used, quality = 0.95: HA LYS 39 + HE3 LYS 39 OK 65 68 95 100 3.9-5.8 6.2=66, 1837/3.6=62...(34) HA LYS 75 + HE2 LYS 75 OK 59 66 90 100 2.5-6.0 6.4=58, 3071/3.5=44...(41) HA LYS 75 + HE3 LYS 75 OK 42 64 65 100 3.7-6.0 6.4=58, 3071/3.5=44...(47) HA LYS 39 + HE2 LYS 39 OK 41 68 60 100 3.9-6.1 6.2=66, 1837/3.6=62...(35) HA ALA 77 - HE3 LYS 73 poor 12 61 20 - 4.3-9.3 HA ALA 77 - HE2 LYS 73 far 10 64 15 - 4.3-9.4 HA THR 15 - HE2 LYS 13 far 7 67 10 - 4.7-10.4 HA THR 15 - HE3 LYS 13 far 3 66 5 - 5.2-10.8 HA THR 15 - HE2 LYS 32 far 0 46 0 - 6.7-28.6 HA GLN 79 - HE3 LYS 75 far 0 49 0 - 7.0-14.3 HA THR 15 - HE3 LYS 32 far 0 48 0 - 7.2-29.8 HB THR 37 - HE2 LYS 75 far 0 87 0 - 7.3-14.9 HA LYS 75 - HE2 LYS 73 far 0 50 0 - 7.6-11.8 HA ALA 78 - HE2 LYS 75 far 0 70 0 - 7.8-13.0 HA GLN 79 - HE2 LYS 75 far 0 50 0 - 7.8-13.6 HB THR 37 - HE3 LYS 75 far 0 85 0 - 8.0-16.1 HA ALA 78 - HE3 LYS 75 far 0 68 0 - 8.0-13.1 HA LYS 83 - HE3 LYS 73 far 0 49 0 - 8.1-20.7 HA LYS 39 - HE2 LYS 13 far 0 58 0 - 8.1-35.6 HA GLN 79 - HE2 LYS 73 far 0 37 0 - 8.3-15.4 HA ALA 78 - HE3 LYS 73 far 0 50 0 - 8.4-13.6 HA LYS 75 - HE3 LYS 73 far 0 47 0 - 8.4-11.9 HB THR 37 - HE2 LYS 39 far 0 100 0 - 8.7-11.6 HA ALA 77 - HE2 LYS 75 far 0 83 0 - 8.9-11.7 HA ALA 78 - HE2 LYS 73 far 0 53 0 - 9.0-14.0 HA LYS 85 - HE3 LYS 73 far 0 64 0 - 9.1-26.1 HA ALA 77 - HE3 LYS 75 far 0 81 0 - 9.1-12.0 HA THR 15 - HE3 LYS 39 far 0 78 0 - 9.2-29.6 HA LYS 83 - HE2 LYS 73 far 0 51 0 - 9.3-20.1 HA LYS 39 - HE3 LYS 13 far 0 57 0 - 9.7-36.1 HA LYS 39 - HE2 LYS 73 far 0 39 0 - 9.7-13.7 HA LYS 85 - HE2 LYS 73 far 0 67 0 - 9.8-26.9 HA GLN 79 - HE3 LYS 73 far 0 36 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 6091 from cnoeabs.peaks (2.96, 0.80, 21.38 ppm; 5.61 A): 2 out of 8 assignments used, quality = 1.00: HE2 LYS 73 + QG1 VAL 41 OK 100 100 100 100 2.9-5.7 3.7/4904=83, 3.7/5258=74...(10) HE3 LYS 73 + QG1 VAL 41 OK 89 99 90 100 3.2-6.0 3.7/4904=83, 3.7/5258=74...(10) HE2 LYS 75 - QG1 VAL 41 far 10 100 10 - 5.1-9.1 HE3 LYS 75 - QG1 VAL 41 far 5 100 5 - 5.5-9.5 HE3 LYS 39 - QG1 VAL 41 far 0 81 0 - 9.3-11.0 HE2 LYS 39 - QG1 VAL 41 far 0 85 0 - 9.5-10.9 HE2 LYS 13 - QG1 VAL 41 far 0 98 0 - 9.7-34.0 HB3 TYR 81 - QG1 VAL 41 far 0 81 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 6092 from cnoeabs.peaks (2.95, 0.94, 22.13 ppm; 5.29 A): 0 out of 6 assignments used, quality = 0.00: HE2 LYS 73 - QG2 VAL 41 far 15 100 15 - 5.1-7.6 HE2 LYS 75 - QG2 VAL 41 far 10 99 10 - 5.0-9.4 HE3 LYS 73 - QG2 VAL 41 far 5 100 5 - 5.6-7.9 HE3 LYS 75 - QG2 VAL 41 far 5 99 5 - 5.0-10.4 HE2 LYS 39 - QG2 VAL 41 far 0 76 0 - 8.2-10.2 HE3 LYS 39 - QG2 VAL 41 far 0 71 0 - 8.2-10.0 Violated in 12 structures by 0.22 A. Peak 6093 from cnoeabs.peaks (1.54, 0.62, 23.89 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: HB3 ARG 54 + QD1 LEU 51 OK 100 100 100 100 3.3-3.7 1.8/4517=72...(11) HG2 LYS 39 + QD1 LEU 51 OK 98 100 100 99 3.3-4.3 1.8/6094=41, 6087/2.1=40...(16) HG LEU 62 - QD1 LEU 51 far 0 81 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 6094 from cnoeabs.peaks (1.40, 0.62, 23.89 ppm; 5.45 A): 1 out of 6 assignments used, quality = 1.00: HG3 LYS 39 + QD1 LEU 51 OK 100 100 100 100 3.7-5.3 ~6087=61, 2.9/5203=59...(14) QB ALA 53 - QD1 LEU 51 far 0 99 0 - 5.9-6.2 HB3 ARG 69 - QD1 LEU 51 far 0 100 0 - 8.1-10.6 HG3 ARG 69 - QD1 LEU 51 far 0 76 0 - 8.2-9.6 QB ALA 20 - QD1 LEU 51 far 0 78 0 - 8.9-17.8 HG2 LYS 13 - QD1 LEU 51 far 0 73 0 - 9.9-27.1 Violated in 0 structures by 0.00 A. Peak 6095 from cnoeabs.peaks (7.15, 0.19, 24.73 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 48 + QD2 LEU 51 OK 100 100 100 100 3.5-4.0 2.2/4527=88...(12) Violated in 0 structures by 0.00 A. Peak 6096 from cnoeabs.peaks (6.65, 0.51, 22.90 ppm; 5.62 A increased from 5.29 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD2 LEU 52 OK 100 100 100 100 5.3-5.6 2.2/4581=99...(6) Violated in 0 structures by 0.00 A. Peak 6097 from cnoeabs.peaks (0.98, 1.33, 40.92 ppm; 6.21 A): 1 out of 3 assignments used, quality = 0.87: QD1 LEU 57 + HB2 LEU 52 OK 87 87 100 100 3.2-4.3 4554/3.1=100...(9) QD1 LEU 57 - HB2 LEU 51 poor 17 47 95 37 6.1-6.9 5177/3.1=35 QG1 VAL 45 - HB2 LEU 51 far 0 58 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6098 from cnoeabs.peaks (0.99, 1.47, 40.92 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 57 + HB3 LEU 52 OK 99 99 100 100 4.5-5.3 4986/1.8=98, 4613/3.1=94...(8) QG1 VAL 45 - HB3 LEU 52 far 0 100 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 6099 from cnoeabs.peaks (7.96, 4.04, 60.18 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.89: H ALA 63 + HA GLU 59 OK 89 90 100 99 3.9-4.2 256/4678=66, 933/4676=60...(5) Violated in 0 structures by 0.00 A. Peak 6100 from cnoeabs.peaks (4.77, 2.53, 30.35 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 57 + HB2 GLN 61 OK 97 97 100 100 3.3-4.1 226/4625=81, 6101/1.8=76...(8) HB THR 58 + HB2 GLN 61 OK 89 96 95 98 4.6-5.2 2.1/4627=73, 4.1/4625=70...(5) Violated in 0 structures by 0.00 A. Peak 6101 from cnoeabs.peaks (4.78, 1.66, 30.35 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.93: HA LEU 57 + HB3 GLN 61 OK 93 93 100 100 3.9-5.0 226/4624=76, 4.0/4985=65...(9) HB THR 58 - HB3 GLN 61 far 0 90 0 - 6.2-6.6 Violated in 1 structures by 0.00 A. Peak 6102 from cnoeabs.peaks (1.92, 0.95, 23.35 ppm; 3.61 A increased from 3.40 A): 2 out of 5 assignments used, quality = 0.96: HG13 ILE 68 + QD1 LEU 64 OK 94 100 100 94 3.2-3.4 ~4759=39, ~5242=38...(10) HB2 MET 31 + QD1 LEU 64 OK 23 93 25 99 3.7-4.6 6121/2.1=62, 3.0/5310=41...(12) HB ILE 68 - QD1 LEU 64 far 0 71 0 - 5.2-5.6 HB3 ARG 66 - QD1 LEU 64 far 0 83 0 - 7.0-7.2 HG12 ILE 40 - QD1 LEU 64 far 0 89 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 6103 from cnoeabs.peaks (1.92, 0.84, 25.67 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.98: HB2 MET 31 + QD2 LEU 64 OK 87 87 100 100 2.3-2.7 6121=77, 1.8/4845=49...(17) HG13 ILE 68 + QD2 LEU 64 OK 81 99 90 91 3.3-3.9 6102/2.1=53, ~4759=38...(9) HB ILE 68 - QD2 LEU 64 far 0 81 0 - 4.2-5.1 HG12 ILE 40 - QD2 LEU 64 far 0 95 0 - 6.0-7.0 HB3 ARG 66 - QD2 LEU 64 far 0 73 0 - 6.9-7.4 HB VAL 41 - QD2 LEU 64 far 0 96 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 6104 from cnoeabs.peaks (0.19, 1.23, 22.65 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + QG1 VAL 65 OK 100 100 100 100 2.8-3.5 4568/5031=69...(11) Violated in 0 structures by 0.00 A. Peak 6105 from cnoeabs.peaks (1.68, 1.21, 23.08 ppm; 5.44 A): 3 out of 7 assignments used, quality = 0.98: HB3 LEU 64 + QG2 VAL 65 OK 89 89 100 100 4.6-4.8 3.1/5965=91, 1.8/4700=90...(13) HB3 GLN 61 + QG2 VAL 65 OK 79 81 100 97 3.2-3.9 1.8/5773=71, 5772=50...(8) HG3 ARG 66 + QG2 VAL 65 OK 32 92 35 98 5.2-6.0 744/4.1=73, 4.1/5244=57...(7) HG2 ARG 70 - QG2 VAL 65 far 0 63 0 - 8.6-11.1 HD3 LYS 13 - QG2 VAL 65 far 0 92 0 - 9.2-27.4 HD2 LYS 13 - QG2 VAL 65 far 0 92 0 - 9.6-26.6 HG LEU 29 - QG2 VAL 65 far 0 99 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 6106 from cnoeabs.peaks (1.68, 1.23, 22.65 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.94: HG3 ARG 66 + QG1 VAL 65 OK 94 96 100 99 4.2-5.6 744/4.1=73, 4.1/4734=60...(8) HB3 GLN 61 - QG1 VAL 65 far 7 73 10 - 5.6-6.3 HB3 LEU 64 - QG1 VAL 65 far 0 93 0 - 6.7-6.7 HG2 ARG 70 - QG1 VAL 65 far 0 71 0 - 7.1-10.2 Violated in 4 structures by 0.05 A. Peak 6107 from cnoeabs.peaks (4.47, 3.21, 43.49 ppm; 6.26 A increased from 5.27 A): 3 out of 6 assignments used, quality = 1.00: HA ASP 67 + HD3 ARG 70 OK 98 98 100 100 2.0-6.4 5049/3.0=92, 4792/6.3=64...(9) HA ASP 67 + HD2 ARG 70 OK 83 98 85 100 2.9-6.6 5049/3.0=92, 4792/6.3=64...(9) HA ASP 67 + HD3 ARG 71 OK 23 55 65 65 5.2-8.3 5838/5.8=48, 5050/3.0=31 HA ASP 67 - HD3 ARG 66 poor 16 81 20 - 6.4-7.9 HA ASP 24 - HD3 ARG 71 poor 13 43 30 - 5.2-11.7 HA ASP 67 - HD2 ARG 66 far 13 84 15 - 6.4-8.0 Violated in 0 structures by 0.00 A. Peak 6108 from cnoeabs.peaks (1.91, 3.96, 46.02 ppm; 5.53 A increased from 5.20 A): 1 out of 5 assignments used, quality = 0.85: HB VAL 41 + HA2 GLY 72 OK 85 85 100 100 4.2-5.2 2.1/4336=99, 2.1/4339=97...(13) HB ILE 68 - HA2 GLY 72 poor 19 93 20 - 5.6-8.2 HG13 ILE 68 - HA2 GLY 72 far 0 95 0 - 6.3-9.2 HB2 GLU 19 - HA2 GLY 72 far 0 100 0 - 8.0-23.2 HG12 ILE 40 - HA2 GLY 72 far 0 99 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 6110 from cnoeabs.peaks (2.39, 4.38, 55.13 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.2-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 6111 from cnoeabs.peaks (2.46, 4.38, 55.13 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.98: HG2 MET 11 + HA MET 11 OK 98 98 100 100 2.3-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 6114 from cnoeabs.peaks (3.95, 1.38, 18.75 ppm; 4.31 A increased from 3.83 A): 3 out of 19 assignments used, quality = 0.97: HA2 GLY 21 + QB ALA 20 OK 86 100 100 86 3.7-4.3 4.8=70, ~5494=25...(8) HA3 GLY 21 + QB ALA 20 OK 73 100 85 86 3.6-4.8 4.8=70, 5494/2.1=26...(6) HA VAL 76 + QB ALA 78 OK 30 83 65 55 3.6-4.9 5852/5444=20, ~5861=17...(5) HA VAL 76 - QB ALA 77 far 13 90 15 - 4.1-5.0 HA3 GLY 18 - QB ALA 20 far 11 76 15 - 3.6-7.7 HA2 GLY 18 - QB ALA 16 far 5 33 15 - 3.7-7.5 HA2 GLY 18 - QB ALA 20 far 4 73 5 - 4.4-7.6 HA3 GLY 18 - QB ALA 16 far 2 34 5 - 4.3-6.8 HA LYS 32 - QB ALA 16 far 0 31 0 - 4.6-18.7 HA THR 37 - QB ALA 20 far 0 90 0 - 4.8-14.8 HA ALA 28 - QB ALA 20 far 0 99 0 - 6.3-14.0 HA2 GLY 72 - QB ALA 77 far 0 96 0 - 7.1-8.4 HA2 GLY 21 - QB ALA 16 far 0 54 0 - 7.3-14.4 HA ALA 28 - QB ALA 16 far 0 52 0 - 7.4-16.6 HA3 GLY 21 - QB ALA 16 far 0 54 0 - 7.6-14.3 HA2 GLY 72 - QB ALA 78 far 0 90 0 - 8.1-11.1 HA LYS 32 - QB ALA 20 far 0 71 0 - 8.9-15.9 HA2 GLY 72 - QB ALA 20 far 0 97 0 - 9.2-16.9 HA THR 37 - QB ALA 16 far 0 44 0 - 9.3-19.5 Violated in 0 structures by 0.00 A. Peak 6115 from cnoeabs.peaks (0.88, 1.67, 26.82 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 6116 from cnoeabs.peaks (2.62, 1.45, 18.14 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: HG2 MET 31 + QB ALA 30 OK 100 100 100 100 3.9-4.6 1.8/5305=79, 1542/3.6=67...(10) HG2 GLN 61 - QB ALA 30 far 0 76 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 6117 from cnoeabs.peaks (8.24, 4.42, 55.00 ppm; 4.66 A): 0 out of 1 assignment used, quality = 0.00: H ALA 28 - HA MET 31 far 0 71 0 - 7.3-7.6 Violated in 20 structures by 2.85 A. Peak 6118 from cnoeabs.peaks (4.12, 2.63, 32.57 ppm; 5.61 A increased from 5.28 A): 1 out of 3 assignments used, quality = 0.96: HA ARG 27 + HG2 MET 31 OK 96 100 100 96 4.2-5.4 4807/6116=80...(4) HA ALA 30 - HG2 MET 31 far 0 83 0 - 6.2-6.9 HA GLU 25 - HG2 MET 31 far 0 65 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6120 from cnoeabs.peaks (0.71, 1.94, 32.66 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 33 + HB2 MET 31 OK 100 100 100 100 1.9-2.1 6122/6121=80...(17) QD2 LEU 57 - HB2 MET 31 far 0 100 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 6121 from cnoeabs.peaks (0.84, 1.94, 32.66 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 64 + HB2 MET 31 OK 99 99 100 100 2.3-2.7 4845/1.8=54, 4198/3.0=53...(18) QD2 LEU 29 - HB2 MET 31 far 0 99 0 - 7.0-7.3 QG2 ILE 68 - HB2 MET 31 far 0 60 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 6122 from cnoeabs.peaks (0.83, 0.71, 10.76 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.97: QD2 LEU 64 + QD1 ILE 33 OK 97 97 100 99 1.9-2.2 5029/2.1=37, 4853/2.1=36...(18) QG2 ILE 68 - QD1 ILE 33 far 0 68 0 - 5.7-6.3 QD2 LEU 29 - QD1 ILE 33 far 0 97 0 - 6.5-7.0 QD1 LEU 43 - QD1 ILE 33 far 0 100 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 6123 from cnoeabs.peaks (8.06, 1.78, 30.55 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.81: H ARG 82 + HB3 ARG 82 OK 81 81 100 100 2.2-4.0 4.0=100 H TYR 81 - HB3 ARG 82 poor 17 83 20 - 4.5-7.0 H ARG 82 - HB3 ARG 84 far 0 60 0 - 5.6-10.4 H TYR 81 - HB3 ARG 84 far 0 63 0 - 6.6-13.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-3.7 3.7=100 Violated in 0 structures by 0.00 A. 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 84 100 100 3.7-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 6126 from cnoeabs.peaks (8.69, 2.12, 32.41 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: H ASP 38 + HB2 PRO 36 OK 100 100 100 100 2.4-3.0 4292=98, 4291/1.8=85...(8) Violated in 0 structures by 0.00 A. Peak 6127 from cnoeabs.peaks (8.59, 4.61, 62.34 ppm; 4.11 A): 0 out of 0 assignments used, quality = 0.00: Peak 6128 from cnoeabs.peaks (1.34, 1.17, 22.48 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.98: QB ALA 28 + QG2 THR 37 OK 98 100 100 98 1.8-3.3 5532=85, 4181/4162=39...(14) QB ALA 16 - QG2 THR 37 far 0 76 0 - 6.8-14.7 HG3 LYS 32 - QG2 THR 37 far 0 99 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 6129 from cnoeabs.peaks (2.66, 1.72, 42.41 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.89: HB2 ASP 47 + HB2 LEU 43 OK 89 99 90 100 4.7-5.5 4442/1.8=91, 1.8/4381=86...(18) HB3 ASN 49 - HB2 LEU 43 far 0 87 0 - 9.5-10.3 Violated in 3 structures by 0.04 A. Peak 6131 from cnoeabs.peaks (7.33, 3.81, 57.23 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 55 + HA LEU 52 OK 99 99 100 100 4.3-4.6 4631=97, 687/4581=71...(9) Violated in 0 structures by 0.00 A. Peak 6132 from cnoeabs.peaks (4.88, 0.71, 23.03 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.93: HA TYR 55 + QD2 LEU 57 OK 93 93 100 100 4.9-5.1 3.0/4587=74, 3.0/4604=74...(14) Violated in 3 structures by 0.01 A. Peak 6133 from cnoeabs.peaks (6.83, 3.96, 59.12 ppm; 5.89 A increased from 5.54 A): 1 out of 3 assignments used, quality = 0.95: HE22 GLN 61 + HA GLN 61 OK 95 95 100 100 4.2-5.9 5.7=100 HD21 ASN 49 - HA GLU 50 far 0 63 0 - 7.8-7.9 QE TYR 55 - HA GLU 50 far 0 78 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 6134 from cnoeabs.peaks (8.43, 0.95, 23.35 ppm; 4.74 A increased from 4.46 A): 1 out of 1 assignment used, quality = 0.98: H ILE 68 + QD1 LEU 64 OK 98 99 100 99 4.5-4.8 6135/2648=65...(6) Violated in 3 structures by 0.00 A. Peak 6135 from cnoeabs.peaks (8.43, 4.26, 57.87 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: H ILE 68 + HA LEU 64 OK 100 100 100 100 3.9-4.3 5810=88, 284/4737=70...(8) Violated in 0 structures by 0.00 A. Peak 6136 from cnoeabs.peaks (8.10, 3.20, 43.10 ppm; 4.89 A): 5 out of 11 assignments used, quality = 0.98: H ARG 71 + HD3 ARG 71 OK 90 100 90 100 3.2-5.6 779/3.0=88, 776/3.5=86...(11) H ARG 71 + HD3 ARG 70 OK 40 58 70 99 4.2-6.1 307/3.0=77, 303/6.3=41...(13) H ARG 71 + HD2 ARG 70 OK 40 57 70 99 4.2-6.1 307/3.0=77, 303/6.3=41...(12) H ARG 26 + HD3 ARG 26 OK 35 35 100 99 4.0-4.9 528/3.5=53, 6.1=52...(15) H ARG 26 + HD2 ARG 26 OK 33 34 100 99 3.5-5.0 527/3.5=53, 6.1=52...(16) H LYS 75 - HD3 ARG 71 far 0 97 0 - 6.0-9.6 H LYS 75 - HD3 ARG 70 far 0 54 0 - 6.2-10.5 H LYS 75 - HD2 ARG 70 far 0 53 0 - 6.4-11.4 H ARG 71 - HD2 ARG 66 far 0 56 0 - 8.5-11.6 H ARG 71 - HD3 ARG 66 far 0 54 0 - 8.9-11.2 H ARG 26 - HD3 ARG 71 far 0 60 0 - 9.5-16.1 Violated in 0 structures by 0.00 A. Peak 6137 from cnoeabs.peaks (8.11, 3.14, 43.10 ppm; 5.09 A increased from 4.79 A): 3 out of 16 assignments used, quality = 1.00: H ARG 71 + HD2 ARG 71 OK 100 100 100 100 3.5-5.1 779/3.0=92, 776/3.5=90...(10) H LYS 85 + HD3 ARG 84 OK 67 98 75 91 2.1-6.5 377/5.1=62, 378/3.5=35...(6) H LYS 85 + HD2 ARG 84 OK 45 99 50 92 3.3-6.7 377/5.1=62, 378/3.5=35...(6) H LYS 75 - HD2 ARG 71 far 14 90 15 - 4.9-8.3 H ARG 26 - HD3 ARG 27 poor 9 37 25 - 4.6-8.0 H ARG 26 - HD2 ARG 27 far 4 37 10 - 4.5-7.9 H ARG 26 - HD2 ARG 23 far 2 45 5 - 5.2-8.9 H ARG 26 - HD3 ARG 23 far 0 45 0 - 5.7-8.7 H LYS 85 - HD2 ARG 82 far 0 96 0 - 6.4-12.3 H ARG 26 - HD2 ARG 17 far 0 54 0 - 7.4-17.4 H ARG 26 - HD3 ARG 17 far 0 54 0 - 7.5-18.6 H THR 88 - HD3 ARG 84 far 0 69 0 - 7.7-15.5 H ARG 71 - HD2 ARG 27 far 0 60 0 - 7.9-12.1 H ARG 71 - HD3 ARG 27 far 0 60 0 - 8.0-12.3 H ARG 26 - HD2 ARG 71 far 0 73 0 - 8.7-15.2 H THR 88 - HD2 ARG 84 far 0 71 0 - 8.7-15.7 Violated in 0 structures by 0.00 A. Peak 6140 from cnoeabs.peaks (1.75, 6.79, 117.91 ppm; 5.20 A): 4 out of 12 assignments used, quality = 0.90: HG2 PRO 34 + QE TYR 55 OK 60 60 100 100 3.6-4.9 4246/2.2=84, ~5565=62...(16) HB2 ARG 54 + QE TYR 55 OK 53 53 100 100 3.1-3.6 ~4634=78, 1.8/4970=76...(19) HB2 PRO 34 + QE TYR 55 OK 30 30 100 100 2.2-4.5 ~4666=69, 1.8/5291=65...(15) HB3 ARG 82 + QE TYR 81 OK 26 88 30 98 2.6-6.8 4683/2.2=77, ~4684=53...(6) HB2 ARG 84 - QE TYR 81 far 7 73 10 - 4.8-14.0 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 7.2-14.6 HB ILE 33 - QE TYR 55 far 0 48 0 - 8.1-8.7 HB2 LEU 57 - QE TYR 55 far 0 51 0 - 8.5-9.0 HB2 LEU 43 - QE TYR 55 far 0 38 0 - 8.7-9.5 HB3 LYS 85 - QE TYR 81 far 0 63 0 - 8.8-17.1 HB3 ARG 17 - QE TYR 55 far 0 63 0 - 9.7-19.9 HB3 LYS 32 - QE TYR 55 far 0 40 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 6141 from cnoeabs.peaks (1.39, 6.79, 117.91 ppm; 5.89 A): 2 out of 10 assignments used, quality = 0.98: QB ALA 78 + QE TYR 81 OK 96 99 100 97 4.7-6.1 ~4675=67, 2.1/6008=63...(4) QB ALA 77 + QE TYR 81 OK 55 92 85 70 2.4-7.5 4.9/6008=43, 4685/2.2=38 HG2 LYS 83 - QE TYR 81 far 12 80 15 - 2.4-12.2 QB ALA 16 - QE TYR 55 far 2 32 5 - 5.1-21.1 HG3 LYS 39 - QE TYR 55 far 0 53 0 - 6.6-7.9 QB ALA 53 - QE TYR 55 far 0 64 0 - 6.9-7.4 HG2 LYS 85 - QE TYR 81 far 0 94 0 - 7.6-17.0 HG3 LYS 73 - QE TYR 81 far 0 99 0 - 8.3-14.7 HG3 LYS 75 - QE TYR 81 far 0 99 0 - 8.9-15.6 HG2 LYS 75 - QE TYR 81 far 0 99 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. Peak 6142 from cnoeabs.peaks (3.15, 3.15, 42.98 ppm; diagonal): 12 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 13 assignments used, quality = 1.00: HG2 LYS 83 + HA LYS 83 OK 100 100 100 100 2.2-3.9 3.7=100 HG2 LYS 85 + HA LYS 85 OK 70 70 100 100 2.2-4.2 3.8=100 QB ALA 20 + HA GLU 19 OK 51 89 65 89 3.8-5.0 4.5=70, 2.9/27=33...(6) QB ALA 16 - HA GLU 19 far 4 87 5 - 4.2-9.6 HG2 LYS 83 - HA LYS 85 far 0 73 0 - 4.7-9.7 HG2 LYS 85 - HA LYS 83 far 0 99 0 - 5.9-10.4 QB ALA 78 - HA LYS 83 far 0 87 0 - 6.1-11.2 QB ALA 78 - HA LYS 85 far 0 57 0 - 6.7-16.5 QB ALA 77 - HA LYS 83 far 0 99 0 - 8.3-10.8 QB ALA 77 - HA LYS 85 far 0 71 0 - 8.9-16.5 HG3 LYS 73 - HA LYS 83 far 0 87 0 - 9.3-19.4 HG3 LYS 75 - HA GLU 19 far 0 71 0 - 9.5-23.3 QB ALA 16 - HA LYS 83 far 0 97 0 - 9.6-43.5 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 0.99: HA LYS 83 + HG2 LYS 83 OK 96 96 100 100 2.2-3.9 3.7=100 HA LYS 85 + HG2 LYS 85 OK 82 91 90 100 2.2-4.2 3.8=97, 385/4.7=42...(9) HA LYS 85 - HG2 LYS 83 far 0 100 0 - 4.7-9.7 HA ALA 77 - HG3 LYS 73 far 0 79 0 - 4.9-8.7 HA ALA 78 - HG2 LYS 83 far 0 71 0 - 5.3-12.1 HA LYS 83 - HG2 LYS 85 far 0 84 0 - 5.9-10.4 HA ALA 77 - HG2 LYS 83 far 0 100 0 - 7.1-14.8 HA LYS 75 - HG3 LYS 73 far 0 70 0 - 7.4-9.4 HA ALA 78 - HG2 LYS 85 far 0 59 0 - 8.4-19.3 HA LYS 39 - HG3 LYS 73 far 0 60 0 - 9.3-12.3 HA LYS 83 - HG3 LYS 73 far 0 71 0 - 9.3-19.4 HA ALA 78 - HG3 LYS 73 far 0 49 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 6146 from cnoeabs.peaks (2.95, 1.37, 24.39 ppm; 3.85 A): 2 out of 9 assignments used, quality = 0.94: HE2 LYS 73 + HG3 LYS 73 OK 79 79 100 100 2.3-3.9 3.7=100 HE3 LYS 73 + HG3 LYS 73 OK 71 79 90 100 2.0-4.2 3.7=100 HB3 TYR 81 - HG2 LYS 83 far 0 68 0 - 5.0-10.5 HE3 LYS 73 - HG2 LYS 83 far 0 100 0 - 6.8-22.2 HE2 LYS 73 - HG2 LYS 83 far 0 100 0 - 7.8-23.0 HE2 LYS 75 - HG3 LYS 73 far 0 75 0 - 8.2-12.5 HE3 LYS 75 - HG3 LYS 73 far 0 76 0 - 9.1-13.0 HB3 TYR 81 - HG2 LYS 85 far 0 57 0 - 9.3-17.6 HB3 TYR 81 - HG3 LYS 73 far 0 47 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. 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; 5.06 A): 3 out of 32 assignments used, quality = 0.96: H ARG 84 + HD2 ARG 84 OK 83 88 95 99 3.5-5.4 6.2=55, 843/3.5=51...(15) H ARG 84 + HD3 ARG 84 OK 64 86 75 99 2.5-5.6 6.2=55, 843/3.5=51...(15) H ALA 28 + HD3 ARG 27 OK 28 60 50 95 4.9-6.6 70/3.5=53, 69/5.4=37...(10) H ALA 28 - HD2 ARG 27 poor 15 60 25 - 4.7-6.4 H GLU 25 - HD2 ARG 27 far 5 51 10 - 5.0-8.3 H GLU 25 - HD3 ARG 27 far 5 51 10 - 5.1-8.2 H THR 15 - HD3 ARG 17 far 4 76 5 - 4.5-11.5 H THR 15 - HD2 ARG 17 far 4 76 5 - 5.2-11.7 H SER 22 - HD2 ARG 23 far 0 70 0 - 5.6-9.4 H GLU 25 - HD2 ARG 23 far 0 61 0 - 5.8-8.2 H SER 22 - HD3 ARG 23 far 0 70 0 - 5.8-10.2 H GLU 25 - HD3 ARG 23 far 0 61 0 - 6.0-8.5 H GLN 79 - HD3 ARG 84 far 0 98 0 - 6.8-17.5 H ARG 84 - HD2 ARG 82 far 0 83 0 - 6.8-10.2 H SER 22 - HD3 ARG 17 far 0 82 0 - 7.5-18.0 H GLU 25 - HD2 ARG 71 far 0 93 0 - 7.6-13.6 H SER 22 - HD3 ARG 27 far 0 59 0 - 8.0-11.8 H ALA 28 - HD3 ARG 17 far 0 83 0 - 8.1-19.6 H GLN 79 - HD2 ARG 82 far 0 96 0 - 8.1-13.1 H SER 22 - HD2 ARG 27 far 0 59 0 - 8.1-11.5 H GLN 79 - HD2 ARG 84 far 0 99 0 - 8.2-18.1 H SER 22 - HD2 ARG 17 far 0 82 0 - 8.2-17.9 H ALA 77 - HD3 ARG 84 far 0 93 0 - 8.4-19.1 H ALA 77 - HD2 ARG 71 far 0 97 0 - 8.6-11.9 H ALA 28 - HD2 ARG 23 far 0 71 0 - 8.7-12.2 H ALA 28 - HD3 ARG 23 far 0 71 0 - 8.8-11.6 H ALA 28 - HD2 ARG 71 far 0 100 0 - 9.1-14.3 H GLU 25 - HD3 ARG 17 far 0 72 0 - 9.2-19.0 H ALA 77 - HD2 ARG 84 far 0 94 0 - 9.4-19.6 H GLU 25 - HD2 ARG 17 far 0 72 0 - 9.4-18.3 H ALA 12 - HD3 ARG 17 far 0 54 0 - 9.5-21.1 H ALA 28 - HD2 ARG 17 far 0 83 0 - 9.8-18.2 Violated in 0 structures by 0.00 A. Peak 6149 from cnoeabs.peaks (1.77, 1.14, 27.16 ppm; 4.89 A): 0 out of 0 assignments used, quality = 0.00: Peak 6150 from cnoeabs.peaks (1.57, 0.81, 12.45 ppm; 4.86 A): 0 out of 2 assignments used, quality = 0.00: HG LEU 86 - QD1 ILE 89 far 3 65 5 - 5.1-11.2 HB3 LEU 86 - QD1 ILE 89 far 0 99 0 - 6.1-12.0 Violated in 20 structures by 2.89 A. Peak 6153 from cnoeabs.peaks (8.15, 4.08, 58.40 ppm; 3.37 A): 4 out of 6 assignments used, quality = 0.96: H ARG 26 + HA GLU 25 OK 67 70 100 96 3.5-3.6 3.6=85, 904/2.9=36...(8) H ARG 26 + HA ARG 26 OK 67 67 100 100 2.8-2.8 3.0=100 H ARG 27 + HA ARG 26 OK 53 56 100 95 3.5-3.5 3.6=84, 5380/3.0=39...(6) H ASN 74 + HA ARG 71 OK 30 100 50 60 3.4-4.1 4.0/16010=25...(5) H ARG 27 - HA GLU 25 far 0 58 0 - 3.9-4.2 H ALA 78 - HA ARG 71 far 0 100 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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; 3.88 A increased from 3.66 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 35 + HZ PHE 35 OK 100 100 100 100 3.8-3.8 3.8=100 QD PHE 35 - HZ PHE 48 far 0 94 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 4536 from anoeabs.peaks (2.84, 6.65, 132.79 ppm; 3.04 A): 1 out of 1 assignment used, quality = 0.96: * HB2 PHE 35 + QD PHE 35 OK 96 96 100 100 2.4-2.4 2.6=100 Violated in 0 structures by 0.00 A. Peak 4537 from anoeabs.peaks (2.90, 6.65, 132.79 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.93: * HB3 PHE 35 + QD PHE 35 OK 93 93 100 100 2.3-2.4 2.6=100 HB3 PHE 48 - QD PHE 35 far 0 91 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 4539 from anoeabs.peaks (6.94, 6.65, 132.79 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * QE PHE 35 + QD PHE 35 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 35 - QD PHE 35 far 0 100 0 - 3.8-3.8 HZ PHE 48 - QD PHE 35 far 0 100 0 - 8.0-8.5 HD22 ASN 42 - QD PHE 35 far 0 99 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. 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): 1 out of 3 assignments used, quality = 1.00: * HZ PHE 48 + QE PHE 48 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 35 - QE PHE 48 far 0 100 0 - 4.3-4.8 HZ PHE 35 - QE PHE 48 far 0 100 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 1.00: * QD PHE 48 + QE PHE 48 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 QE PHE 48 - HZ PHE 35 far 0 94 0 - 4.9-5.5 Violated in 0 structures by 0.00 A. Peak 4546 from anoeabs.peaks (7.06, 6.95, 128.89 ppm; 3.89 A increased from 3.11 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 48 + HZ PHE 48 OK 100 100 100 100 3.8-3.8 3.8=100 QD PHE 48 - HZ PHE 35 far 0 93 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 4547 from anoeabs.peaks (4.01, 7.06, 131.49 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.86: * HA PHE 48 + QD PHE 48 OK 86 86 100 100 2.6-2.8 3.7=100 HD2 PRO 44 - QD PHE 48 far 0 65 0 - 7.5-7.6 HA ARG 70 - QD PHE 48 far 0 97 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. 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 92 100 100 2.3-2.3 2.5=100 Violated in 0 structures by 0.00 A. Peak 4549 from anoeabs.peaks (2.87, 7.06, 131.49 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.99: * HB3 PHE 48 + QD PHE 48 OK 99 99 100 100 2.5-2.6 2.5=100 HB2 ASN 49 - QD PHE 48 far 0 77 0 - 4.5-4.7 HB2 PHE 35 - QD PHE 48 far 0 75 0 - 7.5-7.9 HB2 ASP 67 - QD PHE 48 far 0 77 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 4550 from anoeabs.peaks (6.95, 7.06, 131.49 ppm; 4.25 A): 1 out of 4 assignments used, quality = 1.00: * HZ PHE 48 + QD PHE 48 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 35 - QD PHE 48 far 0 100 0 - 5.2-5.5 HZ PHE 35 - QD PHE 48 far 0 100 0 - 6.0-6.3 HD22 ASN 42 - QD PHE 48 far 0 97 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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): 2 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 1 assignment used, quality = 1.00: * QD TYR 55 + QE TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4555 from anoeabs.peaks (4.90, 7.34, 134.10 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.99: * HA TYR 55 + QD TYR 55 OK 99 100 100 99 3.0-3.1 3.7=79, 3.0/687=54...(11) Violated in 0 structures by 0.00 A. Peak 4556 from anoeabs.peaks (2.80, 7.34, 134.10 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 55 + QD TYR 55 OK 100 100 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4557 from anoeabs.peaks (2.94, 7.34, 134.10 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 TYR 55 + QD TYR 55 OK 100 100 100 100 2.3-2.4 2.5=100 HB3 PHE 35 - QD TYR 55 far 0 60 0 - 4.5-5.0 HE3 LYS 13 - QD TYR 55 far 0 65 0 - 9.1-26.1 HE2 LYS 13 - QD TYR 55 far 0 63 0 - 9.5-25.5 HE3 LYS 32 - QD TYR 55 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 4558 from anoeabs.peaks (6.81, 7.34, 134.10 ppm; 2.58 A): 1 out of 2 assignments used, quality = 1.00: * QE TYR 55 + QD TYR 55 OK 100 100 100 100 2.2-2.2 2.2=100 HE22 GLN 61 - QD TYR 55 far 0 89 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 0.93: HG12 ILE 40 + QD PHE 35 OK 82 82 100 100 2.6-2.8 1.8/4562=76, 2.1/4318=53...(21) HB2 LYS 39 + QD PHE 35 OK 48 57 100 84 3.1-3.7 2.9/5939=32, 4.4/4657=31...(11) HB3 PRO 34 + QD PHE 35 OK 29 96 30 99 3.4-4.7 2.3/4243=51, 3.0/4649=45...(17) HB ILE 68 - QD PHE 35 far 0 95 0 - 6.7-7.0 Violated in 0 structures by 0.00 A. Peak 4561 from anoeabs.peaks (1.76, 6.65, 132.79 ppm; 3.79 A increased from 3.56 A): 2 out of 10 assignments used, quality = 1.00: HG2 PRO 34 + QD PHE 35 OK 100 100 100 100 2.0-3.7 1.8/4243=61, 2.3/4649=56...(22) HB2 PRO 34 + QD PHE 35 OK 53 75 70 100 3.4-4.7 2.3/4243=55, 3.0/4649=49...(20) HB3 LYS 39 - QD PHE 35 far 3 68 5 - 3.5-5.3 HB ILE 33 - QD PHE 35 far 0 95 0 - 4.7-4.7 HB2 ARG 54 - QD PHE 35 far 0 98 0 - 5.2-6.5 HB2 LEU 57 - QD PHE 35 far 0 97 0 - 7.3-7.6 HB3 ARG 17 - QD PHE 35 far 0 94 0 - 8.3-17.3 HB2 LYS 32 - QD PHE 35 far 0 88 0 - 9.0-9.1 HB3 LYS 32 - QD PHE 35 far 0 88 0 - 9.0-9.2 HB2 LEU 62 - QD PHE 35 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 4562 from anoeabs.peaks (1.20, 6.65, 132.79 ppm; 3.52 A): 1 out of 6 assignments used, quality = 0.62: HG13 ILE 40 + QD PHE 35 OK 62 62 100 99 3.0-3.6 2.1/4318=49, 1.8/4322=37...(20) QG1 VAL 65 - QD PHE 35 far 0 60 0 - 4.0-4.4 QG2 VAL 65 - QD PHE 35 far 0 98 0 - 4.7-4.9 HG13 ILE 33 - QD PHE 35 far 0 90 0 - 5.3-5.4 QG2 THR 15 - QD PHE 35 far 0 95 0 - 5.8-19.5 HG LEU 52 - QD PHE 35 far 0 98 0 - 7.1-7.6 Violated in 1 structures by 0.01 A. Peak 4563 from anoeabs.peaks (1.03, 6.65, 132.79 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QD PHE 35 OK 99 99 100 99 2.8-3.1 2.1/4562=54, 4318=40...(22) HG3 PRO 34 + QD PHE 35 OK 64 86 75 98 2.0-3.7 2.3/4649=37, 4243=35...(21) Violated in 0 structures by 0.00 A. Peak 4564 from anoeabs.peaks (0.90, 6.65, 132.79 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: HG LEU 51 + QD PHE 35 OK 100 100 100 100 3.7-4.2 2.1/4568=80, 2.1/4534=75...(18) QD1 LEU 62 - QD PHE 35 far 0 78 0 - 7.6-8.1 HG12 ILE 68 - QD PHE 35 far 0 70 0 - 7.7-8.7 Violated in 3 structures by 0.01 A. Peak 4565 from anoeabs.peaks (0.70, 6.65, 132.79 ppm; 4.53 A increased from 4.26 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 57 + QD PHE 35 OK 98 98 100 100 4.1-4.4 4579/2.2=92, 5742=67...(21) QD1 ILE 33 - QD PHE 35 far 0 100 0 - 5.0-5.1 Violated in 0 structures by 0.00 A. Peak 4566 from anoeabs.peaks (0.59, 6.65, 132.79 ppm; 3.93 A): 0 out of 0 assignments used, 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 = 0.59: QG2 ILE 33 + QD PHE 35 OK 59 60 100 99 2.6-2.7 4583/2.2=67, 4.1/4649=37...(19) Violated in 0 structures by 0.00 A. Peak 4568 from anoeabs.peaks (0.18, 6.65, 132.79 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 51 + QD PHE 35 OK 93 93 100 100 3.0-3.3 2.1/4534=64, 4584/2.2=62...(25) Violated in 0 structures by 0.00 A. Peak 4570 from anoeabs.peaks (3.80, 6.94, 130.03 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.98: HA LEU 52 + QE PHE 35 OK 98 99 100 99 3.8-4.4 2287/4581=69, 4536=52...(9) HD2 PRO 14 - QE PHE 35 far 0 95 0 - 9.6-28.1 Violated in 0 structures by 0.00 A. Peak 4571 from anoeabs.peaks (2.94, 6.94, 130.03 ppm; 4.64 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 55 + QE PHE 35 OK 100 100 100 100 2.9-4.4 2.5/4628=87, 1.8/4572=87...(15) HB3 PHE 35 + QE PHE 35 OK 60 60 100 100 4.4-4.4 4.5=100 HE3 LYS 13 - QE PHE 35 far 0 65 0 - 9.1-27.2 HE2 LYS 32 - QE PHE 35 far 0 93 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 4572 from anoeabs.peaks (2.79, 6.94, 130.03 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: HB2 TYR 55 + QE PHE 35 OK 99 99 100 100 2.5-3.1 2.5/4628=79, 4972=79...(15) Violated in 0 structures by 0.00 A. Peak 4573 from anoeabs.peaks (1.89, 6.94, 130.03 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.93: HG12 ILE 40 + QE PHE 35 OK 93 93 100 100 2.6-3.0 4321=77, ~4562=60...(23) HB3 PRO 34 - QE PHE 35 far 0 89 0 - 4.9-5.6 HB ILE 68 - QE PHE 35 far 0 99 0 - 5.3-5.6 HB2 ARG 66 - QE PHE 35 far 0 92 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 4574 from anoeabs.peaks (1.76, 6.94, 130.03 ppm; 4.52 A): 1 out of 11 assignments used, quality = 1.00: HG2 PRO 34 + QE PHE 35 OK 100 100 100 100 2.8-3.8 4242/2.2=71, 2.3/4687=70...(25) HB2 PRO 34 - QE PHE 35 far 0 85 0 - 4.9-5.6 HB ILE 33 - QE PHE 35 far 0 99 0 - 5.0-5.1 HB2 ARG 54 - QE PHE 35 far 0 100 0 - 5.1-6.7 HB2 LEU 57 - QE PHE 35 far 0 99 0 - 5.2-5.5 HB3 LYS 39 - QE PHE 35 far 0 78 0 - 5.5-7.1 HB2 LEU 62 - QE PHE 35 far 0 93 0 - 7.5-8.4 HB2 LYS 32 - QE PHE 35 far 0 95 0 - 8.5-8.7 HB3 LYS 32 - QE PHE 35 far 0 95 0 - 8.9-9.2 HB2 LYS 13 - QE PHE 35 far 0 60 0 - 9.3-25.0 HB3 ARG 17 - QE PHE 35 far 0 89 0 - 9.5-18.4 Violated in 0 structures by 0.00 A. Peak 4576 from anoeabs.peaks (1.21, 6.94, 130.03 ppm; 3.09 A): 3 out of 6 assignments used, quality = 0.99: QG2 VAL 65 + QE PHE 35 OK 94 99 100 95 2.9-3.1 4717=36, 4726/4581=28...(21) HG13 ILE 40 + QE PHE 35 OK 65 65 100 99 2.1-2.2 4562/2.2=51, 1.8/4573=37...(21) QG1 VAL 65 + QE PHE 35 OK 58 63 100 92 2.0-2.6 2.1/4717=28, 4590/2.2=21...(23) HG13 ILE 33 - QE PHE 35 far 0 92 0 - 4.6-4.8 HG LEU 52 - QE PHE 35 far 0 98 0 - 5.6-6.0 QG2 THR 15 - QE PHE 35 far 0 95 0 - 7.5-19.7 Violated in 0 structures by 0.00 A. Peak 4577 from anoeabs.peaks (1.01, 6.94, 130.03 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 40 + QE PHE 35 OK 88 89 100 99 2.0-2.1 2.1/4573=38, 4563/2.2=34...(26) QD1 LEU 57 + QE PHE 35 OK 86 87 100 99 2.0-2.4 2.1/4579=56, 2.1/4688=35...(21) Violated in 0 structures by 0.00 A. Peak 4578 from anoeabs.peaks (0.91, 6.94, 130.03 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.98: QG2 ILE 40 + QE PHE 35 OK 90 90 100 100 3.5-3.9 3.2/4573=50, 3.2/5121=43...(26) HG LEU 51 + QE PHE 35 OK 78 78 100 100 3.2-3.7 2.1/4584=70, 2.1/4580=65...(15) QD2 LEU 62 - QE PHE 35 far 0 90 0 - 6.2-7.0 HG12 ILE 68 - QE PHE 35 far 0 99 0 - 6.8-7.6 QG2 VAL 41 - QE PHE 35 far 0 81 0 - 6.8-6.9 Violated in 0 structures by 0.00 A. Peak 4579 from anoeabs.peaks (0.70, 6.94, 130.03 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 57 + QE PHE 35 OK 98 99 100 100 2.6-3.1 2.1/4688=45, 4565/2.2=43...(22) QD1 ILE 33 - QE PHE 35 far 0 100 0 - 4.0-4.2 Violated in 0 structures by 0.00 A. Peak 4580 from anoeabs.peaks (0.61, 6.94, 130.03 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.87: QD1 LEU 51 + QE PHE 35 OK 87 87 100 100 3.3-4.1 2.1/4584=76, 4534/2.2=65...(22) Violated in 2 structures by 0.00 A. Peak 4581 from anoeabs.peaks (0.51, 6.94, 130.03 ppm; 3.97 A increased from 3.74 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 52 + QE PHE 35 OK 97 100 100 97 3.7-4.0 2287/4570=49...(11) Violated in 2 structures by 0.00 A. Peak 4582 from anoeabs.peaks (0.44, 6.94, 130.03 ppm; 4.49 A): 0 out of 1 assignment used, quality = 0.00: QD1 LEU 52 - QE PHE 35 far 0 99 0 - 5.9-6.2 Violated in 20 structures by 1.59 A. Peak 4583 from anoeabs.peaks (0.29, 6.94, 130.03 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.80: QG2 ILE 33 + QE PHE 35 OK 80 81 100 100 2.5-2.6 4567/2.2=64, 4596/2.2=45...(23) Violated in 0 structures by 0.00 A. Peak 4584 from anoeabs.peaks (0.18, 6.94, 130.03 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 51 + QE PHE 35 OK 97 97 100 100 2.7-3.1 4568/2.2=74, 2.1/4580=66...(19) Violated in 0 structures by 0.00 A. Peak 4585 from anoeabs.peaks (3.95, 6.95, 128.72 ppm; 4.16 A): 1 out of 13 assignments used, quality = 0.47: HA ARG 66 + HZ PHE 48 OK 47 52 100 91 2.0-2.5 4735=43, 4.1/4589=43...(9) HA LEU 62 - HZ PHE 35 far 0 73 0 - 4.8-5.3 HA LEU 62 - HZ PHE 48 far 0 64 0 - 6.0-6.6 HA THR 37 - HZ PHE 35 far 0 96 0 - 6.6-6.9 HA GLN 61 - HZ PHE 35 far 0 89 0 - 7.0-7.8 HA ALA 28 - HZ PHE 35 far 0 97 0 - 7.5-8.1 HA ARG 66 - HZ PHE 35 far 0 60 0 - 7.7-8.1 HA THR 37 - HZ PHE 48 far 0 87 0 - 8.6-9.3 HA2 GLY 72 - HZ PHE 48 far 0 83 0 - 9.2-12.0 HA GLN 61 - HZ PHE 48 far 0 79 0 - 9.5-10.4 HA GLU 50 - HZ PHE 48 far 0 81 0 - 9.6-10.0 HA LYS 32 - HZ PHE 35 far 0 60 0 - 9.7-9.9 HA GLU 50 - HZ PHE 35 far 0 90 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4586 from anoeabs.peaks (3.62, 6.95, 128.72 ppm; 4.80 A increased from 4.27 A): 2 out of 6 assignments used, quality = 0.98: HA VAL 65 + HZ PHE 35 OK 89 95 100 94 4.5-4.9 3.2/4717=42...(10) HA VAL 65 + HZ PHE 48 OK 79 86 95 98 4.4-5.2 4705/4617=56, ~4718=50...(9) HA ARG 69 - HZ PHE 48 far 0 88 0 - 5.3-6.3 HA ILE 40 - HZ PHE 48 far 0 83 0 - 5.6-6.4 HA ILE 40 - HZ PHE 35 far 0 92 0 - 6.2-6.4 HA ARG 69 - HZ PHE 35 far 0 97 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 4588 from anoeabs.peaks (1.91, 6.95, 128.72 ppm; 5.45 A increased from 4.59 A): 2 out of 8 assignments used, quality = 1.00: HG12 ILE 40 + HZ PHE 35 OK 100 100 100 100 5.0-5.4 4321/2.2=92, 4322/3.8=70...(13) HB ILE 68 + HZ PHE 48 OK 33 87 60 63 5.5-6.4 1940/4617=39...(3) HG12 ILE 40 - HZ PHE 48 far 0 93 0 - 6.8-7.6 HB ILE 68 - HZ PHE 35 far 0 96 0 - 6.9-7.3 HG13 ILE 68 - HZ PHE 48 far 0 83 0 - 7.0-8.1 HB2 MET 31 - HZ PHE 35 far 0 65 0 - 7.6-8.1 HG13 ILE 68 - HZ PHE 35 far 0 92 0 - 8.1-8.6 HB VAL 41 - HZ PHE 48 far 0 71 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 4589 from anoeabs.peaks (1.72, 6.95, 128.72 ppm; 4.61 A): 1 out of 9 assignments used, quality = 0.65: HG3 ARG 66 + HZ PHE 48 OK 65 66 100 98 2.5-4.6 1.8/5969=62, 4.1/4585=58...(8) HG2 ARG 70 - HZ PHE 48 far 0 89 0 - 5.6-10.0 HB2 LEU 62 - HZ PHE 35 far 0 63 0 - 7.2-8.0 HG3 ARG 66 - HZ PHE 35 far 0 76 0 - 7.7-8.9 HB2 LEU 43 - HZ PHE 48 far 0 92 0 - 7.7-8.1 HB2 LEU 62 - HZ PHE 48 far 0 54 0 - 7.9-8.5 HB3 LEU 64 - HZ PHE 35 far 0 81 0 - 8.4-8.8 HB2 LEU 43 - HZ PHE 35 far 0 99 0 - 8.6-9.1 HB3 LEU 64 - HZ PHE 48 far 0 71 0 - 9.1-9.7 Violated in 3 structures by 0.00 A. Peak 4590 from anoeabs.peaks (1.22, 6.95, 128.72 ppm; 2.81 A): 3 out of 12 assignments used, quality = 0.99: QG2 VAL 65 + HZ PHE 35 OK 84 100 100 84 2.0-2.1 4717=27, 4717/2.2=22...(16) QG1 VAL 65 + HZ PHE 35 OK 74 89 100 84 2.0-2.3 2.1/4717=22, 4719=20...(18) QG1 VAL 65 + HZ PHE 48 OK 68 79 100 86 2.6-3.0 4718/2.2=34, 4719=22...(13) HG13 ILE 40 - HZ PHE 35 far 0 90 0 - 4.0-4.2 HG LEU 52 - HZ PHE 48 far 0 73 0 - 4.4-4.7 QG2 VAL 65 - HZ PHE 48 far 0 94 0 - 4.8-5.1 HG13 ILE 40 - HZ PHE 48 far 0 81 0 - 5.1-6.0 HG LEU 52 - HZ PHE 35 far 0 83 0 - 5.2-5.7 HG13 ILE 33 - HZ PHE 35 far 0 100 0 - 5.3-5.6 HG2 ARG 69 - HZ PHE 48 far 0 62 0 - 5.4-6.0 QG2 THR 15 - HZ PHE 35 far 0 73 0 - 9.3-22.3 HG13 ILE 33 - HZ PHE 48 far 0 93 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4591 from anoeabs.peaks (0.99, 6.95, 128.72 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.97: QD1 LEU 57 + HZ PHE 35 OK 97 98 100 99 2.0-2.5 4617=49, ~4579=43...(17) QD1 LEU 57 - HZ PHE 48 far 0 90 0 - 5.9-6.7 QG1 VAL 45 - HZ PHE 48 far 0 94 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 4592 from anoeabs.peaks (0.90, 6.95, 128.72 ppm; 3.96 A): 2 out of 10 assignments used, quality = 0.96: HG LEU 51 + HZ PHE 35 OK 91 97 95 98 3.4-4.5 4564/3.8=46, 2.1/4597=45...(12) QG2 ILE 40 + HZ PHE 48 OK 54 54 100 99 3.3-3.7 4323/2.2=46, ~5612=32...(19) QD2 LEU 62 - HZ PHE 48 far 0 54 0 - 4.8-6.7 QG2 ILE 40 - HZ PHE 35 far 0 63 0 - 4.9-5.1 QD2 LEU 62 - HZ PHE 35 far 0 63 0 - 5.8-6.8 QD1 LEU 62 - HZ PHE 35 far 0 63 0 - 5.9-6.4 HG LEU 51 - HZ PHE 48 far 0 89 0 - 7.0-7.8 QD1 LEU 62 - HZ PHE 48 far 0 54 0 - 7.2-8.2 HG12 ILE 68 - HZ PHE 48 far 0 75 0 - 8.3-9.3 HG12 ILE 68 - HZ PHE 35 far 0 85 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 4593 from anoeabs.peaks (0.70, 6.95, 128.72 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 33 + HZ PHE 35 OK 96 97 100 99 3.9-4.1 3.2/4596=55, ~4583=42...(14) QD2 LEU 57 + HZ PHE 35 OK 93 93 100 100 3.2-3.9 4579/2.2=89, 2.1/4591=87...(18) QD1 ILE 33 - HZ PHE 48 far 0 89 0 - 7.9-8.4 QD2 LEU 57 - HZ PHE 48 far 0 84 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 4594 from anoeabs.peaks (0.50, 6.95, 128.72 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 52 + HZ PHE 35 OK 94 98 100 96 2.9-3.4 4581/2.2=50, 4541=47...(12) QD2 LEU 52 + HZ PHE 48 OK 88 90 100 98 3.1-3.5 2.1/4595=62, 4540/2.2=50...(10) Violated in 0 structures by 0.00 A. Peak 4595 from anoeabs.peaks (0.43, 6.95, 128.72 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.85: QD1 LEU 52 + HZ PHE 48 OK 85 86 100 99 3.0-3.4 4539=83, 4538/2.2=56...(12) QD1 LEU 52 - HZ PHE 35 far 0 95 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 4596 from anoeabs.peaks (0.29, 6.95, 128.72 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.89: QG2 ILE 33 + HZ PHE 35 OK 89 89 100 100 2.9-3.0 4583/2.2=92, 4567/3.8=63...(14) QG2 ILE 33 - HZ PHE 48 far 0 79 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 4597 from anoeabs.peaks (0.17, 6.95, 128.72 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.83: QD2 LEU 51 + HZ PHE 35 OK 83 83 100 100 3.2-3.8 4584/2.2=91, 4568/3.8=78...(17) QD2 LEU 51 - HZ PHE 48 far 4 73 5 - 5.4-5.9 Violated in 0 structures by 0.00 A. Peak 4598 from anoeabs.peaks (3.55, 6.65, 132.79 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.82: HD3 PRO 36 + QD PHE 35 OK 82 82 100 100 3.8-3.8 4257/2.6=61, 4251/3.7=59...(18) HD3 PRO 34 - QD PHE 35 far 0 99 0 - 4.7-4.7 Violated in 0 structures by 0.00 A. Peak 4599 from anoeabs.peaks (3.88, 6.65, 132.79 ppm; 4.97 A increased from 4.19 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 33 + QD PHE 35 OK 99 99 100 100 5.0-5.1 3.2/4567=84, 3.8/4649=69...(11) HD2 PRO 36 + QD PHE 35 OK 97 97 100 100 4.9-4.9 1.8/4598=97, 5578=92...(15) HA LEU 51 - QD PHE 35 far 0 96 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. Peak 4600 from anoeabs.peaks (6.29, 6.65, 132.79 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.82: H PHE 35 + QD PHE 35 OK 82 82 100 99 3.0-3.1 582=75, 4209/4208=38...(16) Violated in 0 structures by 0.00 A. Peak 4601 from anoeabs.peaks (7.33, 6.65, 132.79 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.98: QD TYR 55 + QD PHE 35 OK 98 98 100 100 2.9-3.5 4629=95, 4628/2.2=67...(21) Violated in 0 structures by 0.00 A. Peak 4603 from anoeabs.peaks (8.64, 7.06, 131.49 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.99: H ASN 49 + QD PHE 48 OK 99 99 100 100 3.1-3.4 180=98, 177/2.5=84...(12) H VAL 45 - QD PHE 48 far 0 77 0 - 5.8-6.0 Violated in 0 structures by 0.00 A. Peak 4604 from anoeabs.peaks (4.00, 7.15, 131.07 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.80: HA ARG 66 + QE PHE 48 OK 80 81 100 99 3.1-3.7 4605/2.2=56, 6072=52...(14) HA ARG 70 - QE PHE 48 far 0 100 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 4605 from anoeabs.peaks (3.98, 6.95, 128.89 ppm; 3.98 A): 1 out of 11 assignments used, quality = 0.97: HA ARG 66 + HZ PHE 48 OK 97 100 100 97 2.0-2.5 4735=64, 6072/2.2=46...(12) HA GLN 61 - HZ PHE 35 far 0 84 0 - 7.0-7.8 HA ARG 70 - HZ PHE 48 far 0 76 0 - 7.4-8.4 HA ALA 28 - HZ PHE 35 far 0 71 0 - 7.5-8.1 HA ARG 66 - HZ PHE 35 far 0 94 0 - 7.7-8.1 HA2 GLY 72 - HZ PHE 48 far 0 90 0 - 9.2-12.0 HA ARG 54 - HZ PHE 35 far 0 52 0 - 9.4-10.2 HA GLN 61 - HZ PHE 48 far 0 93 0 - 9.5-10.4 HA GLU 50 - HZ PHE 48 far 0 92 0 - 9.6-10.0 HA LYS 32 - HZ PHE 35 far 0 94 0 - 9.7-9.9 HA GLU 50 - HZ PHE 35 far 0 83 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4606 from anoeabs.peaks (3.62, 7.15, 131.07 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.97: HA ILE 40 + QE PHE 48 OK 85 85 100 100 3.4-4.0 5120=85, 3.2/4323=59...(14) HA VAL 65 + QE PHE 48 OK 82 89 95 97 3.8-4.5 3.2/4718=61...(13) HA ARG 69 - QE PHE 48 far 0 92 0 - 4.7-5.6 Violated in 0 structures by 0.00 A. Peak 4607 from anoeabs.peaks (2.87, 7.15, 131.07 ppm; 4.66 A): 1 out of 5 assignments used, quality = 0.93: HB3 PHE 48 + QE PHE 48 OK 93 93 100 100 4.4-4.5 4.4=100 HB2 ASN 49 - QE PHE 48 far 0 57 0 - 6.2-6.4 HB2 ASP 67 - QE PHE 48 far 0 57 0 - 7.5-8.1 HB3 ASP 67 - QE PHE 48 far 0 63 0 - 7.6-8.5 HB2 PHE 35 - QE PHE 48 far 0 92 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 4609 from anoeabs.peaks (2.01, 7.15, 131.07 ppm; 4.83 A): 3 out of 5 assignments used, quality = 1.00: HG2 ARG 66 + QE PHE 48 OK 100 100 100 100 3.6-4.9 5969/2.2=66, 1.8/5966=61...(8) HD2 ARG 69 + QE PHE 48 OK 80 81 100 100 2.9-4.8 3.0/4784=51, 3.0/5981=50...(16) HD3 ARG 69 + QE PHE 48 OK 68 81 85 99 2.6-5.3 3.0/4784=51, 3.0/5981=50...(16) HG LEU 43 - QE PHE 48 far 0 81 0 - 7.4-7.9 QE MET 31 - QE PHE 48 far 0 83 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 4610 from anoeabs.peaks (1.22, 7.15, 131.07 ppm; 3.54 A): 2 out of 6 assignments used, quality = 0.99: HG13 ILE 40 + QE PHE 48 OK 90 90 100 99 2.8-3.6 3.2/4323=46, 2.1/4611=43...(18) QG1 VAL 65 + QE PHE 48 OK 88 89 100 99 1.9-1.9 4718=77, 5034/4612=37...(18) HG LEU 52 - QE PHE 48 far 0 83 0 - 3.9-4.3 QG2 VAL 65 - QE PHE 48 far 0 100 0 - 4.4-4.5 HG2 ARG 69 - QE PHE 48 far 0 71 0 - 4.8-5.4 HG13 ILE 33 - QE PHE 48 far 0 100 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 4611 from anoeabs.peaks (1.03, 7.15, 131.07 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 40 + QE PHE 48 OK 100 100 100 100 3.5-4.0 4316=93, 1942/4612=75...(20) HG3 PRO 34 - QE PHE 48 far 0 98 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 4612 from anoeabs.peaks (0.93, 7.15, 131.07 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: QG2 ILE 40 + QE PHE 48 OK 100 100 100 100 1.9-2.2 4323=95, 4617/2.2=75...(26) QD2 LEU 62 - QE PHE 48 far 0 100 0 - 5.0-6.4 QG2 VAL 41 - QE PHE 48 far 0 98 0 - 5.6-6.1 HG12 ILE 68 - QE PHE 48 far 0 100 0 - 7.3-8.3 QD2 LEU 43 - QE PHE 48 far 0 85 0 - 7.5-7.5 QD1 LEU 64 - QE PHE 48 far 0 60 0 - 8.0-8.5 QG2 VAL 76 - QE PHE 48 far 0 100 0 - 9.1-13.7 QG1 VAL 76 - QE PHE 48 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 4613 from anoeabs.peaks (0.52, 7.15, 131.07 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 52 + QE PHE 48 OK 100 100 100 100 3.1-3.5 4540=94, 2.1/4538=87...(16) Violated in 0 structures by 0.00 A. Peak 4614 from anoeabs.peaks (0.43, 7.15, 131.07 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 52 + QE PHE 48 OK 96 96 100 100 2.9-3.3 4538=96, 4595/2.2=83...(19) Violated in 0 structures by 0.00 A. Peak 4615 from anoeabs.peaks (1.22, 6.95, 128.89 ppm; 2.81 A): 3 out of 12 assignments used, quality = 0.98: QG2 VAL 65 + HZ PHE 35 OK 77 94 100 83 2.0-2.1 4717=27, 4717/2.2=22...(16) QG1 VAL 65 + HZ PHE 48 OK 77 89 100 86 2.6-3.0 4718/2.2=34...(12) QG1 VAL 65 + HZ PHE 35 OK 65 79 100 83 2.0-2.3 2.1/4717=22, 4719=20...(17) HG13 ILE 40 - HZ PHE 35 far 0 81 0 - 4.0-4.2 HG LEU 52 - HZ PHE 48 far 0 83 0 - 4.4-4.7 QG2 VAL 65 - HZ PHE 48 far 0 100 0 - 4.8-5.1 HG13 ILE 40 - HZ PHE 48 far 0 90 0 - 5.1-6.0 HG LEU 52 - HZ PHE 35 far 0 73 0 - 5.2-5.7 HG13 ILE 33 - HZ PHE 35 far 0 93 0 - 5.3-5.6 HG2 ARG 69 - HZ PHE 48 far 0 71 0 - 5.4-6.0 QG2 THR 15 - HZ PHE 35 far 0 64 0 - 9.3-22.3 HG13 ILE 33 - HZ PHE 48 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 4616 from anoeabs.peaks (1.01, 6.95, 128.89 ppm; 3.66 A): 2 out of 5 assignments used, quality = 0.94: QD1 LEU 57 + HZ PHE 35 OK 81 83 100 98 2.0-2.5 4617=43, ~4579=41...(17) QD1 ILE 40 + HZ PHE 35 OK 69 73 95 99 3.8-4.0 4577/2.2=39, 4317=38...(21) QD1 ILE 40 - HZ PHE 48 far 0 83 0 - 4.9-5.6 QD1 LEU 57 - HZ PHE 48 far 0 92 0 - 5.9-6.7 QG1 VAL 45 - HZ PHE 48 far 0 71 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 4617 from anoeabs.peaks (0.93, 6.95, 128.89 ppm; 3.72 A): 1 out of 12 assignments used, quality = 0.99: QG2 ILE 40 + HZ PHE 48 OK 99 100 100 99 3.3-3.7 4323/2.2=65, 4324=43...(22) QD2 LEU 62 - HZ PHE 48 far 0 100 0 - 4.8-6.7 QG2 ILE 40 - HZ PHE 35 far 0 93 0 - 4.9-5.1 QD2 LEU 62 - HZ PHE 35 far 0 93 0 - 5.8-6.8 QG2 VAL 41 - HZ PHE 48 far 0 98 0 - 6.7-7.4 QD1 LEU 64 - HZ PHE 35 far 0 52 0 - 7.8-8.2 HG12 ILE 68 - HZ PHE 48 far 0 100 0 - 8.3-9.3 QD1 LEU 64 - HZ PHE 48 far 0 60 0 - 8.4-9.0 HG12 ILE 68 - HZ PHE 35 far 0 93 0 - 8.6-9.3 QG2 VAL 41 - HZ PHE 35 far 0 90 0 - 8.7-8.8 QD2 LEU 43 - HZ PHE 35 far 0 75 0 - 9.0-9.5 QD2 LEU 43 - HZ PHE 48 far 0 85 0 - 9.4-9.5 Violated in 0 structures by 0.00 A. Peak 4618 from anoeabs.peaks (0.51, 6.95, 128.89 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 52 + HZ PHE 48 OK 98 100 100 98 3.1-3.5 2.1/4619=61, 4540/2.2=53...(10) QD2 LEU 52 + HZ PHE 35 OK 90 94 100 96 2.9-3.4 4581/2.2=52, 4541=48...(12) Violated in 0 structures by 0.00 A. Peak 4619 from anoeabs.peaks (0.45, 6.95, 128.89 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 52 + HZ PHE 48 OK 100 100 100 100 3.0-3.4 4539=95, 4538/2.2=62...(12) QD1 LEU 52 - HZ PHE 35 far 0 93 0 - 5.6-6.0 Violated in 0 structures by 0.00 A. Peak 4621 from anoeabs.peaks (3.63, 7.06, 131.49 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.99: HA ILE 40 + QD PHE 48 OK 99 99 100 100 2.4-3.0 4325=96, 5120/2.2=85...(14) HA ARG 69 - QD PHE 48 far 0 100 0 - 5.2-6.1 HA VAL 65 - QD PHE 48 far 0 99 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 4622 from anoeabs.peaks (1.22, 7.06, 131.49 ppm; 5.76 A): 5 out of 6 assignments used, quality = 1.00: QG2 VAL 65 + QD PHE 48 OK 100 100 100 100 5.8-6.0 4716/2.2=90, ~4718=85...(9) HG13 ILE 40 + QD PHE 48 OK 90 90 100 100 3.6-4.0 2.1/5619=90, 1.8/5618=87...(17) QG1 VAL 65 + QD PHE 48 OK 88 88 100 100 3.4-3.7 4718/2.2=89...(14) HG LEU 52 + QD PHE 48 OK 82 82 100 100 4.2-4.5 2.1/4959=98, 2.1/5361=98...(10) HG2 ARG 69 + QD PHE 48 OK 70 70 100 100 4.7-5.6 ~4784=65, 5981/2.2=55...(12) HG13 ILE 33 - QD PHE 48 far 0 99 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 4623 from anoeabs.peaks (0.94, 7.06, 131.49 ppm; 5.28 A): 1 out of 8 assignments used, quality = 0.98: QG2 ILE 40 + QD PHE 48 OK 98 98 100 100 2.3-2.7 4323/2.2=97, 5128=95...(28) QD2 LEU 43 - QD PHE 48 far 0 99 0 - 5.7-5.8 QG2 VAL 41 - QD PHE 48 far 0 100 0 - 5.8-6.2 QD2 LEU 62 - QD PHE 48 far 0 98 0 - 6.2-7.4 HG12 ILE 68 - QD PHE 48 far 0 88 0 - 8.8-9.7 QG2 VAL 76 - QD PHE 48 far 0 88 0 - 8.8-13.5 QG1 VAL 76 - QD PHE 48 far 0 88 0 - 9.0-13.0 QD1 LEU 64 - QD PHE 48 far 0 88 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 4624 from anoeabs.peaks (0.82, 7.06, 131.49 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.95: QD1 LEU 43 + QD PHE 48 OK 95 95 100 100 3.7-4.0 4370=95, 5295/3.7=57...(17) QG2 ILE 68 - QD PHE 48 far 0 97 0 - 5.8-6.6 QG1 VAL 41 - QD PHE 48 far 0 77 0 - 6.7-7.0 QD2 LEU 64 - QD PHE 48 far 0 65 0 - 8.1-8.9 QD1 ILE 89 - QD PHE 48 far 0 99 0 - 9.5-33.9 Violated in 0 structures by 0.00 A. Peak 4625 from anoeabs.peaks (0.20, 7.06, 131.49 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 51 + QD PHE 48 OK 99 99 100 100 2.5-2.9 4527=100, 4520/4370=61...(15) Violated in 0 structures by 0.00 A. Peak 4626 from anoeabs.peaks (0.43, 7.06, 131.49 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.94: QD1 LEU 52 + QD PHE 48 OK 94 94 100 100 3.8-4.1 4614/2.2=99, 2.1/5361=98...(13) Violated in 0 structures by 0.00 A. Peak 4627 from anoeabs.peaks (7.68, 7.34, 134.10 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.99: H TYR 55 + QD TYR 55 OK 99 99 100 100 2.4-2.8 687=99, 684/2.5=64...(20) Violated in 0 structures by 0.00 A. Peak 4628 from anoeabs.peaks (6.94, 7.34, 134.10 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 35 + QD TYR 55 OK 99 99 100 100 2.9-3.7 4658=74, 2.2/4629=66...(18) HZ PHE 35 - QD TYR 55 far 0 99 0 - 5.0-5.6 HZ PHE 48 - QD TYR 55 far 0 98 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 4629 from anoeabs.peaks (6.65, 7.34, 134.10 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 35 + QD TYR 55 OK 100 100 100 100 2.9-3.5 4601=98, 2.2/4628=69...(21) Violated in 0 structures by 0.00 A. Peak 4630 from anoeabs.peaks (3.69, 7.34, 134.10 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.92: HD2 PRO 56 + QD TYR 55 OK 92 100 95 96 3.0-4.2 4.6=48, 4595/2.5=48...(9) HD3 PRO 56 - QD TYR 55 far 0 100 0 - 4.2-5.1 Violated in 1 structures by 0.03 A. Peak 4631 from anoeabs.peaks (3.80, 7.34, 134.10 ppm; 4.83 A increased from 4.54 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 52 + QD TYR 55 OK 99 99 100 100 4.3-4.6 6131=98, 4581/687=71...(9) HD2 PRO 14 - QD TYR 55 far 0 94 0 - 6.5-29.3 Violated in 0 structures by 0.00 A. Peak 4632 from anoeabs.peaks (3.88, 7.34, 134.10 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 51 + QD TYR 55 OK 96 97 100 100 3.4-4.0 5220/4634=53...(15) HA ILE 33 - QD TYR 55 far 0 99 0 - 6.2-7.0 HD2 PRO 36 - QD TYR 55 far 0 97 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 4633 from anoeabs.peaks (1.75, 7.34, 134.10 ppm; 3.36 A): 3 out of 10 assignments used, quality = 1.00: HG2 PRO 34 + QD TYR 55 OK 99 100 100 99 2.7-3.5 2.3/4666=39, 4246=36...(24) HB2 ARG 54 + QD TYR 55 OK 96 97 100 100 2.4-2.9 1.8/4634=59, 4690/2.2=42...(21) HB2 PRO 34 + QD TYR 55 OK 70 71 100 99 2.6-3.6 1.8/4666=41, 2.3/4246=35...(22) HB2 LEU 57 - QD TYR 55 far 0 96 0 - 6.4-7.0 HB ILE 33 - QD TYR 55 far 0 93 0 - 7.8-8.3 HB3 LYS 39 - QD TYR 55 far 0 63 0 - 8.2-9.7 HB3 LYS 32 - QD TYR 55 far 0 85 0 - 8.8-9.6 HB2 LYS 32 - QD TYR 55 far 0 85 0 - 8.9-9.5 HB2 LEU 62 - QD TYR 55 far 0 99 0 - 9.2-10.6 HB3 ARG 17 - QD TYR 55 far 0 97 0 - 9.8-20.4 Violated in 0 structures by 0.00 A. Peak 4634 from anoeabs.peaks (1.54, 7.34, 134.10 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: HB3 ARG 54 + QD TYR 55 OK 99 99 100 100 2.8-3.3 4644/2.2=62, 213/687=50...(23) HG2 LYS 39 - QD TYR 55 far 0 99 0 - 7.1-8.2 HG LEU 62 - QD TYR 55 far 0 73 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 4635 from anoeabs.peaks (1.02, 7.34, 134.10 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.93: HG3 PRO 34 + QD TYR 55 OK 81 81 100 100 2.1-3.6 2.3/4666=61, 1.8/4246=60...(25) QD1 LEU 57 + QD TYR 55 OK 62 65 95 100 3.8-4.6 2.1/4636=60, 5149/2.5=53...(16) QD1 ILE 40 - QD TYR 55 far 0 99 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 4636 from anoeabs.peaks (0.71, 7.34, 134.10 ppm; 4.60 A increased from 4.09 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 57 + QD TYR 55 OK 100 100 100 100 4.1-4.4 4579/4628=71...(18) QD1 ILE 33 - QD TYR 55 far 0 100 0 - 6.6-7.2 Violated in 0 structures by 0.00 A. Peak 4637 from anoeabs.peaks (0.60, 7.34, 134.10 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.73: QD1 LEU 51 + QD TYR 55 OK 73 73 100 100 2.1-3.1 4647/2.2=87, 2.1/4655=65...(25) Violated in 0 structures by 0.00 A. Peak 4638 from anoeabs.peaks (3.90, 6.81, 118.01 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.98: HA LEU 51 + QE TYR 55 OK 98 98 100 100 3.7-4.1 2245/4533=73...(13) HD2 PRO 36 - QE TYR 55 far 0 59 0 - 6.6-7.1 HA ILE 33 - QE TYR 55 far 0 95 0 - 7.2-7.9 HA3 GLY 18 - QE TYR 55 far 0 62 0 - 7.8-21.6 HA2 GLY 18 - QE TYR 55 far 0 65 0 - 7.9-22.9 HA LEU 62 - QE TYR 55 far 0 75 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 4639 from anoeabs.peaks (4.89, 6.81, 118.01 ppm; 5.02 A increased from 4.46 A): 1 out of 1 assignment used, quality = 0.98: HA TYR 55 + QE TYR 55 OK 98 98 100 100 4.7-4.8 4555/2.2=96, 5.6=71...(6) Violated in 0 structures by 0.00 A. Peak 4640 from anoeabs.peaks (3.02, 6.81, 118.01 ppm; 4.16 A increased from 3.70 A): 3 out of 3 assignments used, quality = 0.96: HD3 ARG 54 + QE TYR 55 OK 89 94 95 100 2.9-5.0 3.6/4644=59, 4565=55...(15) HD2 ARG 54 + QE TYR 55 OK 42 95 45 100 2.9-5.0 3.6/4644=59, 1.8/4565=46...(15) HB2 TYR 81 + QE TYR 81 OK 32 52 65 95 4.4-4.5 4.4=82, ~4674=42...(4) Violated in 0 structures by 0.00 A. Peak 4641 from anoeabs.peaks (2.94, 6.81, 118.01 ppm; 4.30 A increased from 4.05 A): 2 out of 6 assignments used, quality = 1.00: HB3 TYR 55 + QE TYR 55 OK 99 100 100 100 4.4-4.4 4.4=91, 3.0/4639=50...(8) HB3 PHE 35 + QE TYR 55 OK 57 59 100 97 3.4-4.1 2.6/5712=65, ~4601=46...(8) HE3 LYS 73 - QE TYR 81 far 0 57 0 - 7.0-16.5 HE2 LYS 73 - QE TYR 81 far 0 56 0 - 8.4-17.3 HE3 LYS 13 - QE TYR 55 far 0 65 0 - 9.4-27.4 HE2 LYS 13 - QE TYR 55 far 0 62 0 - 9.7-26.6 Violated in 0 structures by 0.00 A. Peak 4642 from anoeabs.peaks (2.82, 6.81, 118.01 ppm; 4.52 A increased from 4.26 A): 1 out of 3 assignments used, quality = 0.77: HB2 TYR 55 + QE TYR 55 OK 77 77 100 100 4.4-4.4 4.4=100 HB2 PHE 35 - QE TYR 55 far 3 62 5 - 4.7-5.4 HB2 ASN 74 - QE TYR 81 far 0 58 0 - 6.1-14.3 Violated in 0 structures by 0.00 A. Peak 4643 from anoeabs.peaks (1.77, 6.81, 118.01 ppm; 3.41 A): 2 out of 13 assignments used, quality = 1.00: HB2 ARG 54 + QE TYR 55 OK 99 100 100 100 3.1-3.6 1.8/4644=62, ~4634=36...(19) HB2 PRO 34 + QE TYR 55 OK 64 94 70 98 2.2-4.5 1.8/4667=43, 2.3/4664=42...(16) HB3 ARG 82 - QE TYR 81 far 10 65 15 - 2.6-6.8 HG2 PRO 34 - QE TYR 55 far 5 99 5 - 3.6-4.9 HB2 LYS 83 - QE TYR 81 far 0 55 0 - 5.0-11.5 HB2 LYS 13 - QE TYR 55 far 0 75 0 - 7.0-26.5 HB3 LYS 39 - QE TYR 55 far 0 89 0 - 7.0-8.5 HB3 LYS 73 - QE TYR 81 far 0 60 0 - 7.2-14.6 HB ILE 33 - QE TYR 55 far 0 100 0 - 8.1-8.7 HB2 LEU 57 - QE TYR 55 far 0 100 0 - 8.5-9.0 HB3 LYS 75 - QE TYR 81 far 0 46 0 - 9.0-14.2 HB3 ARG 17 - QE TYR 55 far 0 75 0 - 9.7-19.9 HB3 LYS 32 - QE TYR 55 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 4644 from anoeabs.peaks (1.55, 6.81, 118.01 ppm; 3.74 A): 1 out of 8 assignments used, quality = 0.99: HB3 ARG 54 + QE TYR 55 OK 99 99 100 100 2.8-3.2 4634/2.2=60, 1.8/4643=50...(19) HG2 ARG 82 - QE TYR 81 far 2 37 5 - 3.8-6.7 HG3 ARG 54 - QE TYR 55 far 0 77 0 - 4.8-5.4 HD2 LYS 39 - QE TYR 55 far 0 59 0 - 4.8-8.2 HG2 LYS 39 - QE TYR 55 far 0 99 0 - 5.5-7.2 HD3 LYS 39 - QE TYR 55 far 0 62 0 - 5.6-7.8 HB3 LEU 86 - QE TYR 81 far 0 61 0 - 7.9-18.2 HG LEU 62 - QE TYR 55 far 0 95 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 4645 from anoeabs.peaks (1.30, 6.81, 118.01 ppm; 5.10 A increased from 4.08 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 54 + QE TYR 55 OK 99 99 100 100 4.7-5.3 3.0/4644=89, 4969=87...(18) HB2 LEU 51 + QE TYR 55 OK 80 80 100 100 4.7-5.2 3.1/4647=93, 3.0/4638=82...(14) Violated in 0 structures by 0.00 A. Peak 4646 from anoeabs.peaks (0.87, 6.81, 118.01 ppm; 4.32 A increased from 3.84 A): 1 out of 4 assignments used, quality = 0.75: HG LEU 51 + QE TYR 55 OK 75 75 100 100 3.8-4.3 2.1/4647=93, 2.1/4648=66...(13) QD1 LEU 86 - QE TYR 81 far 2 49 5 - 4.1-15.8 QD1 LEU 62 - QE TYR 55 far 0 99 0 - 8.3-9.2 QD2 LEU 64 - QE TYR 55 far 0 70 0 - 9.4-10.4 Violated in 1 structures by 0.00 A. Peak 4647 from anoeabs.peaks (0.60, 6.81, 118.01 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.72: QD1 LEU 51 + QE TYR 55 OK 72 72 100 99 1.9-2.1 4533=65, 4637/2.2=46...(18) Violated in 0 structures by 0.00 A. Peak 4648 from anoeabs.peaks (0.19, 6.81, 118.01 ppm; 4.63 A increased from 3.90 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + QE TYR 55 OK 100 100 100 100 4.3-4.4 2.1/4647=97, 4529=86...(17) Violated in 0 structures by 0.00 A. Peak 4649 from anoeabs.peaks (2.74, 6.65, 132.79 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.82: HD2 PRO 34 + QD PHE 35 OK 82 82 100 100 3.5-3.6 2.3/4243=69, 4687/2.2=63...(20) HB2 ASN 42 - QD PHE 35 far 0 91 0 - 7.8-8.5 HB3 ASN 42 - QD PHE 35 far 0 88 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 4650 from anoeabs.peaks (2.08, 6.65, 132.79 ppm; 4.86 A increased from 4.57 A): 1 out of 5 assignments used, quality = 0.98: HG2 PRO 36 + QD PHE 35 OK 98 98 100 100 4.6-4.6 2.3/4598=89, 2.3/5578=68...(19) HG3 PRO 36 - QD PHE 35 far 0 96 0 - 5.8-5.8 HB3 MET 31 - QD PHE 35 far 0 93 0 - 8.6-9.0 HG3 PRO 56 - QD PHE 35 far 0 99 0 - 9.2-9.8 HB2 PRO 56 - QD PHE 35 far 0 100 0 - 9.7-10.1 Violated in 0 structures by 0.00 A. Peak 4651 from anoeabs.peaks (1.06, 7.06, 131.49 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.93: QG2 VAL 45 + QD PHE 48 OK 91 91 100 100 3.3-3.6 4421=92, 3.2/4418=64...(13) QD1 ILE 40 + QD PHE 48 OK 24 59 40 100 4.8-5.1 3.0/5128=61, 4.1/4325=55...(17) HG3 PRO 34 - QD PHE 48 far 0 90 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 4652 from anoeabs.peaks (1.37, 6.95, 128.89 ppm; 4.43 A): 2 out of 11 assignments used, quality = 0.76: HB3 ARG 69 + HZ PHE 48 OK 61 63 100 97 3.2-4.6 1.8/4653=67, ~5979=36...(9) HG3 ARG 69 + HZ PHE 48 OK 38 97 40 98 4.0-5.7 3.0/4653=56, 4784/2.2=46...(12) QB ALA 28 - HZ PHE 35 far 0 54 0 - 6.6-7.2 HB3 ARG 69 - HZ PHE 35 far 0 54 0 - 7.8-9.9 QB ALA 53 - HZ PHE 35 far 0 59 0 - 8.4-9.0 HG3 ARG 69 - HZ PHE 35 far 0 89 0 - 8.7-10.5 HG3 LYS 73 - HZ PHE 48 far 0 81 0 - 8.7-11.9 QB ALA 53 - HZ PHE 48 far 0 68 0 - 9.1-9.5 QB ALA 28 - HZ PHE 48 far 0 63 0 - 9.6-10.5 QB ALA 20 - HZ PHE 35 far 0 88 0 - 9.7-19.4 QB ALA 16 - HZ PHE 35 far 0 92 0 - 9.8-22.7 Violated in 0 structures by 0.00 A. Peak 4653 from anoeabs.peaks (1.78, 6.95, 128.89 ppm; 4.85 A): 1 out of 11 assignments used, quality = 0.88: HB2 ARG 69 + HZ PHE 48 OK 88 89 100 100 2.9-3.9 5047/4605=55...(11) HG2 PRO 34 - HZ PHE 35 poor 15 59 25 - 4.8-5.9 HB2 LEU 57 - HZ PHE 35 far 0 75 0 - 5.2-5.8 HB ILE 33 - HZ PHE 35 far 0 79 0 - 5.9-6.1 HB2 ARG 54 - HZ PHE 35 far 0 73 0 - 6.8-8.4 HB2 PRO 34 - HZ PHE 35 far 0 92 0 - 7.1-7.6 HB3 LYS 39 - HZ PHE 35 far 0 94 0 - 7.4-9.2 HB2 ARG 69 - HZ PHE 35 far 0 79 0 - 7.7-9.5 HB2 LEU 57 - HZ PHE 48 far 0 85 0 - 8.4-9.5 HB2 LYS 32 - HZ PHE 35 far 0 87 0 - 9.4-9.8 HB3 LYS 73 - HZ PHE 48 far 0 99 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 4655 from anoeabs.peaks (0.89, 7.34, 134.10 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: HG LEU 51 + QD TYR 55 OK 100 100 100 100 2.7-3.7 2.1/4637=78, 2.1/4665=63...(19) QD1 LEU 62 - QD TYR 55 far 0 87 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 4657 from anoeabs.peaks (7.24, 6.65, 132.79 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: H ILE 40 + QD PHE 35 OK 100 100 100 100 3.9-4.2 5122/2.2=58, 5609=57...(13) HE ARG 54 - QD PHE 35 far 0 68 0 - 6.2-9.3 H ALA 53 - QD PHE 35 far 0 84 0 - 8.0-8.4 Violated in 0 structures by 0.00 A. Peak 4658 from anoeabs.peaks (7.33, 6.94, 130.03 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.97: QD TYR 55 + QE PHE 35 OK 97 97 100 100 2.9-3.7 4628=96, 4601/2.2=77...(19) Violated in 0 structures by 0.00 A. Peak 4659 from anoeabs.peaks (1.56, 6.65, 132.79 ppm; 4.71 A): 3 out of 9 assignments used, quality = 0.99: HG2 LYS 39 + QD PHE 35 OK 92 93 100 99 4.3-4.7 5939=72, 2.9/5940=47...(13) HD3 LYS 39 + QD PHE 35 OK 73 82 90 99 3.9-5.6 3.0/5939=56, 3.5/5940=44...(15) HD2 LYS 39 + QD PHE 35 OK 43 80 55 98 4.0-6.5 3.0/5939=56, 3.5/5940=44...(14) HB3 ARG 54 - QD PHE 35 far 0 93 0 - 5.7-6.4 HG3 ARG 54 - QD PHE 35 far 0 93 0 - 7.1-8.8 HG LEU 62 - QD PHE 35 far 0 100 0 - 7.9-8.6 HG LEU 64 - QD PHE 35 far 0 78 0 - 8.1-8.8 HB3 LEU 29 - QD PHE 35 far 0 86 0 - 9.9-10.5 HB3 LEU 62 - QD PHE 35 far 0 68 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 4660 from anoeabs.peaks (2.02, 6.95, 128.89 ppm; 3.99 A): 3 out of 7 assignments used, quality = 0.98: HG2 ARG 66 + HZ PHE 48 OK 92 97 100 95 2.7-4.2 1.8/4589=52...(8) HD3 ARG 69 + HZ PHE 48 OK 62 98 65 98 3.3-5.9 3.9/4653=38, 3.9/4652=26...(16) HD2 ARG 69 + HZ PHE 48 OK 48 98 50 98 3.5-5.6 3.9/4653=38, 4789/2.2=31...(16) HG2 ARG 66 - HZ PHE 35 far 0 88 0 - 7.2-7.8 HD3 ARG 69 - HZ PHE 35 far 0 90 0 - 8.6-11.9 HD2 ARG 69 - HZ PHE 35 far 0 90 0 - 8.6-11.3 HG2 PRO 56 - HZ PHE 35 far 0 81 0 - 9.6-10.0 Violated in 0 structures by 0.00 A. Peak 4662 from anoeabs.peaks (3.99, 7.34, 134.10 ppm; 4.83 A increased from 4.54 A): 1 out of 3 assignments used, quality = 0.83: HA ARG 54 + QD TYR 55 OK 83 83 100 100 4.6-4.8 3.0/4634=83, 3.6/687=81...(20) HA GLU 50 - QD TYR 55 far 0 73 0 - 7.5-7.9 HA LYS 32 - QD TYR 55 far 0 97 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 4663 from anoeabs.peaks (1.31, 7.34, 134.10 ppm; 5.14 A increased from 4.32 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 54 + QD TYR 55 OK 100 100 100 100 4.8-5.3 3.0/4634=90, 4968=78...(26) HB2 LEU 51 + QD TYR 55 OK 90 94 95 100 4.8-5.6 3.0/4632=83, 3.1/4637=83...(17) HB2 LEU 52 - QD TYR 55 far 0 65 0 - 6.6-6.8 QB ALA 12 - QD TYR 55 far 0 73 0 - 7.7-25.8 QG2 THR 58 - QD TYR 55 far 0 100 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 4664 from anoeabs.peaks (1.03, 6.81, 118.01 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.96: HG3 PRO 34 + QE TYR 55 OK 96 96 100 100 3.9-4.7 2.3/4667=69, 5565/2.2=59...(17) QD1 ILE 40 - QE TYR 55 far 0 100 0 - 7.5-8.1 Violated in 3 structures by 0.03 A. Peak 4665 from anoeabs.peaks (0.19, 7.34, 134.10 ppm; 4.78 A increased from 4.50 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 51 + QD TYR 55 OK 100 100 100 100 4.0-4.8 2.1/4637=89, 2.1/4655=84...(21) Violated in 1 structures by 0.00 A. Peak 4666 from anoeabs.peaks (1.86, 7.34, 134.10 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.92: HB3 PRO 34 + QD TYR 55 OK 92 92 100 100 2.9-3.7 2.3/4246=66, 2.3/5565=61...(21) HB2 LYS 39 - QD TYR 55 far 0 100 0 - 7.2-8.7 HB2 MET 11 - QD TYR 55 far 0 68 0 - 9.0-32.5 HB3 PRO 14 - QD TYR 55 far 0 63 0 - 9.3-29.1 Violated in 0 structures by 0.00 A. Peak 4667 from anoeabs.peaks (1.88, 6.81, 118.01 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: HB3 PRO 34 + QE TYR 55 OK 100 100 100 100 3.2-4.5 2.3/4664=73, 4666/2.2=56...(15) HB2 LYS 39 - QE TYR 55 far 0 80 0 - 6.2-7.9 HB2 MET 11 - QE TYR 55 far 0 97 0 - 7.8-33.9 HG12 ILE 40 - QE TYR 55 far 0 59 0 - 7.9-8.7 HB3 PRO 14 - QE TYR 55 far 0 96 0 - 8.0-29.9 Violated in 0 structures by 0.00 A. Peak 4668 from anoeabs.peaks (7.06, 6.78, 118.00 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.88: QD TYR 81 + QE TYR 81 OK 88 88 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.98: * QD TYR 81 + QE TYR 81 OK 98 98 100 100 2.2-2.2 2.2=100 QD PHE 48 - QE TYR 55 far 0 65 0 - 8.1-8.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.96: H ARG 82 + QD TYR 81 OK 80 85 95 100 2.2-4.9 4.3=89, 3.6/4674=69...(8) H TYR 81 + QD TYR 81 OK 78 81 100 97 1.9-4.3 4.5=81, 3.0/4674=79...(4) Violated in 0 structures by 0.00 A. Peak 4674 from anoeabs.peaks (4.45, 7.08, 132.95 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.69: HA TYR 81 + QD TYR 81 OK 69 97 90 79 2.2-3.6 5466=63, 5474/4.3=25...(5) Violated in 2 structures by 0.05 A. Peak 4675 from anoeabs.peaks (4.19, 7.08, 132.95 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.84: HA ALA 78 + QD TYR 81 OK 80 85 100 94 2.1-3.8 5862/2.5=43, 6049/2.5=40...(9) HA ARG 82 + QD TYR 81 OK 22 97 25 92 3.0-5.5 3.0/4683=41, 5886/2.5=38...(8) HA GLN 79 - QD TYR 81 far 10 97 10 - 3.6-7.1 HA ARG 84 - QD TYR 81 far 0 100 0 - 5.6-10.7 HA LYS 73 - QD TYR 81 far 0 98 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 4676 from anoeabs.peaks (3.02, 7.08, 132.95 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.92: HB2 TYR 81 + QD TYR 81 OK 92 92 100 100 2.3-2.7 2.5=100 Violated in 0 structures by 0.00 A. Peak 4677 from anoeabs.peaks (2.96, 7.08, 132.95 ppm; 2.96 A): 1 out of 3 assignments used, quality = 0.92: HB3 TYR 81 + QD TYR 81 OK 92 92 100 100 2.3-2.8 2.5=100 HE3 LYS 73 - QD TYR 81 far 0 96 0 - 6.9-14.4 HE2 LYS 73 - QD TYR 81 far 0 97 0 - 8.2-15.2 Violated in 0 structures by 0.00 A. Peak 4678 from anoeabs.peaks (4.18, 6.79, 118.00 ppm; 5.50 A increased from 4.40 A): 2 out of 7 assignments used, quality = 0.83: HA ALA 78 + QE TYR 81 OK 67 68 100 99 4.0-5.4 4675/2.2=76, 5862/4.4=46...(7) HA ARG 82 + QE TYR 81 OK 48 100 50 97 4.7-7.7 5868/2.2=69, 5886/4.4=59...(5) HA GLN 79 - QE TYR 81 far 9 89 10 - 4.1-9.0 HA ARG 84 - QE TYR 81 far 0 100 0 - 6.5-12.7 HA ALA 53 - QE TYR 55 far 0 52 0 - 8.0-8.2 HB THR 15 - QE TYR 55 far 0 57 0 - 8.4-23.4 HA LYS 73 - QE TYR 81 far 0 100 0 - 8.6-14.5 Violated in 0 structures by 0.00 A. Peak 4679 from anoeabs.peaks (3.01, 6.79, 118.00 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.60: HD3 ARG 54 + QE TYR 55 OK 48 52 95 98 2.9-5.0 3.6/4690=49, 4565=36...(15) HD2 ARG 54 + QE TYR 55 OK 23 53 45 98 2.9-5.0 3.6/4690=49, 3.0/4969=35...(15) HB2 TYR 81 - QE TYR 81 far 0 81 0 - 4.4-4.5 Violated in 0 structures by 0.00 A. Peak 4681 from anoeabs.peaks (2.01, 6.79, 118.00 ppm; 4.88 A): 0 out of 8 assignments used, quality = 0.00: HG2 PRO 14 - QE TYR 55 far 0 42 0 - 5.8-29.5 HG3 PRO 14 - QE TYR 55 far 0 42 0 - 5.8-30.8 HB3 GLN 79 - QE TYR 81 far 0 94 0 - 6.7-10.6 HG2 PRO 56 - QE TYR 55 far 0 30 0 - 7.1-7.8 HG LEU 43 - QE TYR 55 far 0 49 0 - 8.0-8.9 HB3 PRO 56 - QE TYR 55 far 0 40 0 - 8.6-9.0 HB3 MET 11 - QE TYR 55 far 0 65 0 - 8.6-32.8 HD3 ARG 69 - QE TYR 81 far 0 76 0 - 9.9-20.5 Violated in 20 structures by 1.44 A. Peak 4683 from anoeabs.peaks (1.76, 7.08, 132.95 ppm; 4.79 A increased from 4.51 A): 1 out of 4 assignments used, quality = 0.98: HB3 ARG 82 + QD TYR 81 OK 98 100 100 98 2.9-4.8 5479/4684=70...(8) HB2 LYS 83 - QD TYR 81 far 4 89 5 - 4.3-9.4 HB3 LYS 73 - QD TYR 81 far 0 94 0 - 8.2-12.5 HB3 LYS 75 - QD TYR 81 far 0 76 0 - 9.3-12.7 Violated in 2 structures by 0.00 A. Peak 4684 from anoeabs.peaks (1.53, 7.08, 132.95 ppm; 4.65 A increased from 4.38 A): 1 out of 1 assignment used, quality = 0.94: HG2 ARG 82 + QD TYR 81 OK 94 100 100 94 2.4-4.7 5479/4683=63...(5) Violated in 3 structures by 0.00 A. Peak 4685 from anoeabs.peaks (1.37, 7.08, 132.95 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.81: QB ALA 78 + QD TYR 81 OK 63 90 70 99 3.5-5.0 2.1/4675=65, ~5862=41...(10) QB ALA 77 + QD TYR 81 OK 48 100 85 56 2.7-5.9 4.9/4675=34, 4686/2.2=24 HG2 LYS 83 - QD TYR 81 far 5 100 5 - 2.9-10.1 HG2 LYS 85 - QD TYR 81 far 0 99 0 - 7.6-14.9 HG3 LYS 75 - QD TYR 81 far 0 87 0 - 8.7-14.0 HG3 LYS 73 - QD TYR 81 far 0 90 0 - 8.9-12.8 HG2 LYS 75 - QD TYR 81 far 0 87 0 - 9.1-13.1 Violated in 1 structures by 0.00 A. Peak 4686 from anoeabs.peaks (1.38, 6.79, 118.00 ppm; 5.42 A increased from 4.57 A): 2 out of 10 assignments used, quality = 0.79: QB ALA 77 + QE TYR 81 OK 57 100 85 68 2.4-7.5 4685/2.2=41, 4.9/6008=36 QB ALA 78 + QE TYR 81 OK 51 97 55 96 4.7-6.1 ~4675=60, 2.1/6008=56...(4) HG2 LYS 83 - QE TYR 81 far 10 98 10 - 2.4-12.2 QB ALA 16 - QE TYR 55 far 3 50 5 - 5.1-21.1 HG3 LYS 39 - QE TYR 55 far 0 35 0 - 6.6-7.9 QB ALA 53 - QE TYR 55 far 0 54 0 - 6.9-7.4 HG2 LYS 85 - QE TYR 81 far 0 100 0 - 7.6-17.0 HG3 LYS 73 - QE TYR 81 far 0 97 0 - 8.3-14.7 HG3 LYS 75 - QE TYR 81 far 0 96 0 - 8.9-15.6 HG2 LYS 75 - QE TYR 81 far 0 96 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. Peak 4687 from anoeabs.peaks (2.75, 6.94, 130.03 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.65: HD2 PRO 34 + QE PHE 35 OK 65 65 100 100 3.1-3.2 4649/2.2=79, 2.3/4574=74...(21) HB2 ASN 42 - QE PHE 35 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 4688 from anoeabs.peaks (1.94, 6.94, 130.03 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.97: HG LEU 57 + QE PHE 35 OK 97 97 100 100 3.5-3.7 2.1/4579=91, ~4591=56...(18) HB2 LEU 64 - QE PHE 35 far 0 63 0 - 6.6-7.1 HG13 ILE 68 - QE PHE 35 far 0 83 0 - 6.7-7.1 HB2 MET 31 - QE PHE 35 far 0 99 0 - 7.2-7.5 HB3 ARG 66 - QE PHE 35 far 0 100 0 - 8.8-9.0 HB VAL 41 - QE PHE 35 far 0 93 0 - 9.1-9.4 Violated in 0 structures by 0.00 A. Peak 4689 from anoeabs.peaks (2.38, 6.95, 128.89 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: HB VAL 65 + HZ PHE 48 OK 98 99 100 99 3.5-3.8 ~4718=68, ~4716=51...(10) HB VAL 65 + HZ PHE 35 OK 90 91 100 99 4.2-4.5 4707/4591=51...(11) Violated in 0 structures by 0.00 A. Peak 4690 from anoeabs.peaks (1.74, 6.79, 118.00 ppm; 4.14 A): 1 out of 10 assignments used, quality = 0.42: HB2 ARG 54 + QE TYR 55 OK 42 42 100 100 3.1-3.6 ~4634=54, 1.8/4970=46...(19) HB3 ARG 82 - QE TYR 81 poor 19 76 25 - 2.6-6.8 HG2 PRO 34 - QE TYR 55 poor 13 52 25 - 3.6-4.9 HB3 LYS 83 - QE TYR 81 far 4 71 5 - 3.8-11.6 HB2 ARG 84 - QE TYR 81 far 0 90 0 - 4.8-14.0 HB ILE 33 - QE TYR 55 far 0 37 0 - 8.1-8.7 HB2 LEU 57 - QE TYR 55 far 0 40 0 - 8.5-9.0 HB2 LEU 43 - QE TYR 55 far 0 50 0 - 8.7-9.5 HB3 LYS 85 - QE TYR 81 far 0 83 0 - 8.8-17.1 HB3 ARG 17 - QE TYR 55 far 0 65 0 - 9.7-19.9 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.964 Average number of used assignments : 1.872 Average rank of reference assignment: 1.215 Peaks with increased upper limit : 591 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.24 A Atom Residue Shift Peaks Used Expect HE ARG 54 7.264 21 3 11 Peaks: selected : 5180 in nnoeabs.peaks : 1097 in cnoeabs.peaks : 3933 in anoeabs.peaks : 150 assigned : 5126 unassigned : 54 without assignment possibility : 24 with violation below 0.5 A : 10 with violation between 0.5 and 3.0 A : 16 with violation above 3.0 A : 4 in nnoeabs.peaks : 6 in cnoeabs.peaks : 45 in anoeabs.peaks : 3 with diagonal assignment : 612 Cross peaks: with off-diagonal assignment : 4514 with unique assignment : 2749 with short-range assignment |i-j|<=1: 3366 with medium-range assignment 1<|i-j|<5 : 721 with long-range assignment |i-j|>=5: 427 Comparison with reference assignment: Cross peaks with reference assignment : 2952 with identical reference assignment : 1555 with compatible reference assignment : 2775 with incompatible reference assignment : 54 with additional reference assignment : 0 with additional assignment : 1685